USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 610 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 58 ASN : amide:sc= 1.03 K(o=1.1,f=-6.7!) USER MOD Set 1.2: A 81 THR OG1 : rot 35:sc= 0.0261 USER MOD Single : A 13 LYS NZ :NH3+ 150:sc= 0 (180deg=-0.629) USER MOD Single : A 14 LYS NZ :NH3+ -138:sc= 1.28 (180deg=-1.08) USER MOD Single : A 16 SER OG : rot 180:sc= -0.153 USER MOD Single : A 17 ASN : amide:sc= -0.0927 K(o=-0.093,f=-1.6!) USER MOD Single : A 19 TYR OH : rot -136:sc= 0.0368 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -0.387 K(o=-0.39,f=-2.3!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= -0.293 X(o=-0.29,f=-0.65) USER MOD Single : A 35 LYS NZ :NH3+ -146:sc= -0.807 (180deg=-2.84) USER MOD Single : A 41 SER OG : rot -94:sc= 0.963 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -0.191 X(o=-0.19,f=-0.41) USER MOD Single : A 51 ASN : amide:sc= -0.147 X(o=-0.15,f=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 42:sc= 0.0534 USER MOD Single : A 67 HIS : no HD1:sc= -2.54! K(o=-2.5!,f=-0.98) USER MOD Single : A 73 MET CE :methyl 169:sc= 0 (180deg=-0.102) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -7.895 -4.772 -8.805 1.00 0.00 N ATOM 60 CA GLY A 7 -6.657 -4.272 -8.235 1.00 0.00 C ATOM 61 C GLY A 7 -6.247 -2.936 -8.822 1.00 0.00 C ATOM 62 O GLY A 7 -5.741 -2.872 -9.943 1.00 0.00 O ATOM 0 HA2 GLY A 7 -6.772 -4.171 -7.156 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -5.863 -4.999 -8.404 1.00 0.00 H new ATOM 66 N ARG A 8 -6.467 -1.866 -8.065 1.00 0.00 N ATOM 67 CA ARG A 8 -6.119 -0.525 -8.519 1.00 0.00 C ATOM 68 C ARG A 8 -4.660 -0.206 -8.205 1.00 0.00 C ATOM 69 O ARG A 8 -4.067 -0.791 -7.298 1.00 0.00 O ATOM 70 CB ARG A 8 -7.031 0.512 -7.860 1.00 0.00 C ATOM 71 CG ARG A 8 -6.884 0.580 -6.349 1.00 0.00 C ATOM 72 CD ARG A 8 -7.798 1.636 -5.747 1.00 0.00 C ATOM 73 NE ARG A 8 -9.209 1.294 -5.906 1.00 0.00 N ATOM 74 CZ ARG A 8 -9.919 1.586 -6.990 1.00 0.00 C ATOM 75 NH1 ARG A 8 -9.352 2.222 -8.006 1.00 0.00 N ATOM 76 NH2 ARG A 8 -11.198 1.241 -7.059 1.00 0.00 N ATOM 0 H ARG A 8 -6.884 -1.902 -7.135 1.00 0.00 H new ATOM 0 HA ARG A 8 -6.257 -0.487 -9.600 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -6.815 1.494 -8.282 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -8.067 0.280 -8.106 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -7.116 -0.393 -5.916 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -5.849 0.805 -6.093 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -7.570 1.751 -4.687 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -7.602 2.598 -6.221 1.00 0.00 H new ATOM 0 HE ARG A 8 -9.675 0.804 -5.142 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -8.369 2.488 -7.956 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -9.899 2.445 -8.837 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -11.637 0.751 -6.279 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -11.743 1.466 -7.892 1.00 0.00 H new ATOM 90 N VAL A 9 -4.086 0.723 -8.963 1.00 0.00 N ATOM 91 CA VAL A 9 -2.697 1.120 -8.766 1.00 0.00 C ATOM 92 C VAL A 9 -2.604 2.426 -7.985 1.00 0.00 C ATOM 93 O VAL A 9 -3.361 3.365 -8.233 1.00 0.00 O ATOM 94 CB VAL A 9 -1.965 1.285 -10.111 1.00 0.00 C ATOM 95 CG1 VAL A 9 -0.559 1.822 -9.891 1.00 0.00 C ATOM 96 CG2 VAL A 9 -1.928 -0.036 -10.863 1.00 0.00 C ATOM 0 H VAL A 9 -4.562 1.215 -9.719 1.00 0.00 H new ATOM 0 HA VAL A 9 -2.218 0.324 -8.195 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.513 2.006 -10.717 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -0.057 1.932 -10.852 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.613 2.792 -9.397 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.002 1.127 -9.266 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -1.407 0.099 -11.811 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.404 -0.781 -10.264 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.946 -0.375 -11.054 1.00 0.00 H new ATOM 106 N VAL A 10 -1.670 2.480 -7.041 1.00 0.00 N ATOM 107 CA VAL A 10 -1.476 3.672 -6.224 1.00 0.00 C ATOM 108 C VAL A 10 -0.031 4.153 -6.289 1.00 0.00 C ATOM 109 O VAL A 10 0.893 3.357 -6.459 1.00 0.00 O ATOM 110 CB VAL A 10 -1.853 3.412 -4.754 1.00 0.00 C ATOM 111 CG1 VAL A 10 -1.806 4.705 -3.954 1.00 0.00 C ATOM 112 CG2 VAL A 10 -3.229 2.769 -4.663 1.00 0.00 C ATOM 0 H VAL A 10 -1.035 1.712 -6.823 1.00 0.00 H new ATOM 0 HA VAL A 10 -2.131 4.443 -6.628 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.125 2.722 -4.327 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.075 4.502 -2.918 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -0.799 5.120 -3.992 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -2.510 5.421 -4.378 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -3.480 2.592 -3.617 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -3.971 3.433 -5.107 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -3.224 1.821 -5.200 1.00 0.00 H new ATOM 122 N VAL A 11 0.158 5.462 -6.152 1.00 0.00 N ATOM 123 CA VAL A 11 1.491 6.050 -6.194 1.00 0.00 C ATOM 124 C VAL A 11 1.625 7.180 -5.179 1.00 0.00 C ATOM 125 O VAL A 11 0.886 8.164 -5.229 1.00 0.00 O ATOM 126 CB VAL A 11 1.822 6.594 -7.597 1.00 0.00 C ATOM 127 CG1 VAL A 11 3.180 7.278 -7.598 1.00 0.00 C ATOM 128 CG2 VAL A 11 1.779 5.473 -8.625 1.00 0.00 C ATOM 0 H VAL A 11 -0.596 6.135 -6.011 1.00 0.00 H new ATOM 0 HA VAL A 11 2.195 5.256 -5.945 1.00 0.00 H new ATOM 0 HB VAL A 11 1.070 7.335 -7.868 1.00 0.00 H new ATOM 0 HG11 VAL A 11 3.396 7.656 -8.597 1.00 0.00 H new ATOM 0 HG12 VAL A 11 3.170 8.107 -6.891 1.00 0.00 H new ATOM 0 HG13 VAL A 11 3.948 6.562 -7.307 1.00 0.00 H new ATOM 0 HG21 VAL A 11 2.015 5.874 -9.611 1.00 0.00 H new ATOM 0 HG22 VAL A 11 2.509 4.708 -8.360 1.00 0.00 H new ATOM 0 HG23 VAL A 11 0.782 5.033 -8.642 1.00 0.00 H new ATOM 138 N ILE A 12 2.573 7.033 -4.259 1.00 0.00 N ATOM 139 CA ILE A 12 2.804 8.042 -3.233 1.00 0.00 C ATOM 140 C ILE A 12 4.269 8.465 -3.199 1.00 0.00 C ATOM 141 O ILE A 12 5.153 7.716 -3.615 1.00 0.00 O ATOM 142 CB ILE A 12 2.397 7.530 -1.839 1.00 0.00 C ATOM 143 CG1 ILE A 12 0.957 7.012 -1.862 1.00 0.00 C ATOM 144 CG2 ILE A 12 2.550 8.635 -0.804 1.00 0.00 C ATOM 145 CD1 ILE A 12 0.695 5.913 -0.856 1.00 0.00 C ATOM 0 H ILE A 12 3.193 6.225 -4.203 1.00 0.00 H new ATOM 0 HA ILE A 12 2.185 8.902 -3.490 1.00 0.00 H new ATOM 0 HB ILE A 12 3.056 6.706 -1.564 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.278 7.842 -1.667 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.729 6.641 -2.861 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.259 8.258 0.176 1.00 0.00 H new ATOM 0 HG22 ILE A 12 3.589 8.963 -0.773 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.912 9.477 -1.073 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -0.345 5.594 -0.928 1.00 0.00 H new ATOM 0 HD12 ILE A 12 1.349 5.066 -1.063 1.00 0.00 H new ATOM 0 HD13 ILE A 12 0.891 6.286 0.149 1.00 0.00 H new ATOM 157 N LYS A 13 4.519 9.670 -2.699 1.00 0.00 N ATOM 158 CA LYS A 13 5.877 10.193 -2.606 1.00 0.00 C ATOM 159 C LYS A 13 6.113 10.859 -1.254 1.00 0.00 C ATOM 160 O LYS A 13 5.430 11.819 -0.896 1.00 0.00 O ATOM 161 CB LYS A 13 6.137 11.196 -3.732 1.00 0.00 C ATOM 162 CG LYS A 13 5.397 10.872 -5.018 1.00 0.00 C ATOM 163 CD LYS A 13 5.724 11.870 -6.117 1.00 0.00 C ATOM 164 CE LYS A 13 4.766 13.051 -6.100 1.00 0.00 C ATOM 165 NZ LYS A 13 5.251 14.146 -5.216 1.00 0.00 N ATOM 0 H LYS A 13 3.799 10.303 -2.352 1.00 0.00 H new ATOM 0 HA LYS A 13 6.569 9.357 -2.705 1.00 0.00 H new ATOM 0 HB2 LYS A 13 5.845 12.191 -3.396 1.00 0.00 H new ATOM 0 HB3 LYS A 13 7.207 11.230 -3.937 1.00 0.00 H new ATOM 0 HG2 LYS A 13 5.661 9.867 -5.348 1.00 0.00 H new ATOM 0 HG3 LYS A 13 4.323 10.874 -4.831 1.00 0.00 H new ATOM 0 HD2 LYS A 13 6.746 12.227 -5.993 1.00 0.00 H new ATOM 0 HD3 LYS A 13 5.675 11.374 -7.087 1.00 0.00 H new ATOM 0 HE2 LYS A 13 4.641 13.431 -7.114 1.00 0.00 H new ATOM 0 HE3 LYS A 13 3.785 12.718 -5.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 4.916 15.061 -5.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 4.886 14.002 -4.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 6.291 14.141 -5.196 1.00 0.00 H new ATOM 179 N LYS A 14 7.083 10.344 -0.507 1.00 0.00 N ATOM 180 CA LYS A 14 7.411 10.889 0.805 1.00 0.00 C ATOM 181 C LYS A 14 7.216 12.401 0.830 1.00 0.00 C ATOM 182 O LYS A 14 7.497 13.090 -0.150 1.00 0.00 O ATOM 183 CB LYS A 14 8.856 10.545 1.176 1.00 0.00 C ATOM 184 CG LYS A 14 9.082 10.404 2.671 1.00 0.00 C ATOM 185 CD LYS A 14 10.413 9.735 2.973 1.00 0.00 C ATOM 186 CE LYS A 14 10.343 8.231 2.758 1.00 0.00 C ATOM 187 NZ LYS A 14 9.632 7.545 3.872 1.00 0.00 N ATOM 0 H LYS A 14 7.657 9.549 -0.788 1.00 0.00 H new ATOM 0 HA LYS A 14 6.738 10.441 1.536 1.00 0.00 H new ATOM 0 HB2 LYS A 14 9.136 9.613 0.685 1.00 0.00 H new ATOM 0 HB3 LYS A 14 9.516 11.321 0.789 1.00 0.00 H new ATOM 0 HG2 LYS A 14 9.054 11.388 3.139 1.00 0.00 H new ATOM 0 HG3 LYS A 14 8.272 9.820 3.109 1.00 0.00 H new ATOM 0 HD2 LYS A 14 11.188 10.159 2.334 1.00 0.00 H new ATOM 0 HD3 LYS A 14 10.700 9.943 4.004 1.00 0.00 H new ATOM 0 HE2 LYS A 14 9.833 8.022 1.818 1.00 0.00 H new ATOM 0 HE3 LYS A 14 11.352 7.829 2.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 10.138 6.671 4.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 9.597 8.173 4.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 8.664 7.311 3.574 1.00 0.00 H new ATOM 201 N GLY A 15 6.732 12.913 1.958 1.00 0.00 N ATOM 202 CA GLY A 15 6.508 14.341 2.089 1.00 0.00 C ATOM 203 C GLY A 15 6.920 14.869 3.449 1.00 0.00 C ATOM 204 O GLY A 15 7.982 14.519 3.963 1.00 0.00 O ATOM 0 H GLY A 15 6.491 12.364 2.783 1.00 0.00 H new ATOM 0 HA2 GLY A 15 7.067 14.866 1.314 1.00 0.00 H new ATOM 0 HA3 GLY A 15 5.453 14.557 1.923 1.00 0.00 H new ATOM 208 N SER A 16 6.077 15.716 4.033 1.00 0.00 N ATOM 209 CA SER A 16 6.362 16.298 5.339 1.00 0.00 C ATOM 210 C SER A 16 6.300 15.236 6.432 1.00 0.00 C ATOM 211 O SER A 16 7.223 15.100 7.234 1.00 0.00 O ATOM 212 CB SER A 16 5.370 17.422 5.647 1.00 0.00 C ATOM 213 OG SER A 16 4.041 16.933 5.685 1.00 0.00 O ATOM 0 H SER A 16 5.192 16.014 3.622 1.00 0.00 H new ATOM 0 HA SER A 16 7.371 16.710 5.314 1.00 0.00 H new ATOM 0 HB2 SER A 16 5.620 17.880 6.604 1.00 0.00 H new ATOM 0 HB3 SER A 16 5.452 18.202 4.890 1.00 0.00 H new ATOM 0 HG SER A 16 3.427 17.670 5.885 1.00 0.00 H new ATOM 219 N ASN A 17 5.203 14.486 6.458 1.00 0.00 N ATOM 220 CA ASN A 17 5.018 13.436 7.453 1.00 0.00 C ATOM 221 C ASN A 17 5.029 12.058 6.798 1.00 0.00 C ATOM 222 O ASN A 17 3.980 11.448 6.594 1.00 0.00 O ATOM 223 CB ASN A 17 3.704 13.644 8.208 1.00 0.00 C ATOM 224 CG ASN A 17 3.825 14.686 9.303 1.00 0.00 C ATOM 225 OD1 ASN A 17 4.909 14.918 9.838 1.00 0.00 O ATOM 226 ND2 ASN A 17 2.708 15.321 9.642 1.00 0.00 N ATOM 0 H ASN A 17 4.429 14.586 5.801 1.00 0.00 H new ATOM 0 HA ASN A 17 5.846 13.490 8.159 1.00 0.00 H new ATOM 0 HB2 ASN A 17 2.928 13.948 7.505 1.00 0.00 H new ATOM 0 HB3 ASN A 17 3.385 12.697 8.645 1.00 0.00 H new ATOM 0 HD21 ASN A 17 2.728 16.033 10.372 1.00 0.00 H new ATOM 0 HD22 ASN A 17 1.831 15.097 9.172 1.00 0.00 H new ATOM 233 N GLY A 18 6.223 11.572 6.472 1.00 0.00 N ATOM 234 CA GLY A 18 6.348 10.270 5.845 1.00 0.00 C ATOM 235 C GLY A 18 5.454 10.124 4.629 1.00 0.00 C ATOM 236 O GLY A 18 5.435 10.993 3.756 1.00 0.00 O ATOM 0 H GLY A 18 7.106 12.057 6.631 1.00 0.00 H new ATOM 0 HA2 GLY A 18 7.385 10.110 5.551 1.00 0.00 H new ATOM 0 HA3 GLY A 18 6.099 9.495 6.570 1.00 0.00 H new ATOM 240 N TYR A 19 4.714 9.023 4.569 1.00 0.00 N ATOM 241 CA TYR A 19 3.817 8.765 3.449 1.00 0.00 C ATOM 242 C TYR A 19 2.393 9.203 3.778 1.00 0.00 C ATOM 243 O TYR A 19 1.760 9.924 3.009 1.00 0.00 O ATOM 244 CB TYR A 19 3.834 7.278 3.087 1.00 0.00 C ATOM 245 CG TYR A 19 5.099 6.841 2.383 1.00 0.00 C ATOM 246 CD1 TYR A 19 6.213 6.430 3.104 1.00 0.00 C ATOM 247 CD2 TYR A 19 5.181 6.841 0.996 1.00 0.00 C ATOM 248 CE1 TYR A 19 7.371 6.031 2.465 1.00 0.00 C ATOM 249 CE2 TYR A 19 6.334 6.442 0.348 1.00 0.00 C ATOM 250 CZ TYR A 19 7.426 6.038 1.087 1.00 0.00 C ATOM 251 OH TYR A 19 8.577 5.641 0.446 1.00 0.00 O ATOM 0 H TYR A 19 4.717 8.295 5.283 1.00 0.00 H new ATOM 0 HA TYR A 19 4.168 9.345 2.595 1.00 0.00 H new ATOM 0 HB2 TYR A 19 3.713 6.690 3.997 1.00 0.00 H new ATOM 0 HB3 TYR A 19 2.978 7.058 2.449 1.00 0.00 H new ATOM 0 HD1 TYR A 19 6.173 6.422 4.183 1.00 0.00 H new ATOM 0 HD2 TYR A 19 4.328 7.159 0.414 1.00 0.00 H new ATOM 0 HE1 TYR A 19 8.228 5.715 3.041 1.00 0.00 H new ATOM 0 HE2 TYR A 19 6.380 6.446 -0.731 1.00 0.00 H new ATOM 0 HH TYR A 19 8.776 6.264 -0.284 1.00 0.00 H new ATOM 261 N GLY A 20 1.896 8.761 4.930 1.00 0.00 N ATOM 262 CA GLY A 20 0.552 9.117 5.343 1.00 0.00 C ATOM 263 C GLY A 20 -0.290 7.904 5.685 1.00 0.00 C ATOM 264 O GLY A 20 -1.296 8.015 6.386 1.00 0.00 O ATOM 0 H GLY A 20 2.401 8.163 5.584 1.00 0.00 H new ATOM 0 HA2 GLY A 20 0.604 9.775 6.210 1.00 0.00 H new ATOM 0 HA3 GLY A 20 0.067 9.679 4.545 1.00 0.00 H new ATOM 268 N PHE A 21 0.119 6.742 5.186 1.00 0.00 N ATOM 269 CA PHE A 21 -0.606 5.503 5.441 1.00 0.00 C ATOM 270 C PHE A 21 0.210 4.567 6.328 1.00 0.00 C ATOM 271 O PHE A 21 1.381 4.824 6.608 1.00 0.00 O ATOM 272 CB PHE A 21 -0.945 4.806 4.122 1.00 0.00 C ATOM 273 CG PHE A 21 0.226 4.104 3.496 1.00 0.00 C ATOM 274 CD1 PHE A 21 1.086 4.783 2.648 1.00 0.00 C ATOM 275 CD2 PHE A 21 0.468 2.764 3.756 1.00 0.00 C ATOM 276 CE1 PHE A 21 2.165 4.140 2.072 1.00 0.00 C ATOM 277 CE2 PHE A 21 1.545 2.116 3.183 1.00 0.00 C ATOM 278 CZ PHE A 21 2.394 2.805 2.338 1.00 0.00 C ATOM 0 H PHE A 21 0.949 6.633 4.603 1.00 0.00 H new ATOM 0 HA PHE A 21 -1.531 5.753 5.961 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -1.741 4.082 4.297 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -1.334 5.544 3.420 1.00 0.00 H new ATOM 0 HD1 PHE A 21 0.911 5.827 2.435 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -0.193 2.220 4.414 1.00 0.00 H new ATOM 0 HE1 PHE A 21 2.829 4.682 1.414 1.00 0.00 H new ATOM 0 HE2 PHE A 21 1.723 1.072 3.395 1.00 0.00 H new ATOM 0 HZ PHE A 21 3.235 2.300 1.887 1.00 0.00 H new ATOM 288 N TYR A 22 -0.418 3.483 6.769 1.00 0.00 N ATOM 289 CA TYR A 22 0.247 2.510 7.628 1.00 0.00 C ATOM 290 C TYR A 22 0.005 1.089 7.130 1.00 0.00 C ATOM 291 O TYR A 22 -0.761 0.869 6.191 1.00 0.00 O ATOM 292 CB TYR A 22 -0.247 2.649 9.069 1.00 0.00 C ATOM 293 CG TYR A 22 0.262 3.890 9.766 1.00 0.00 C ATOM 294 CD1 TYR A 22 -0.426 5.094 9.672 1.00 0.00 C ATOM 295 CD2 TYR A 22 1.429 3.859 10.518 1.00 0.00 C ATOM 296 CE1 TYR A 22 0.035 6.231 10.307 1.00 0.00 C ATOM 297 CE2 TYR A 22 1.897 4.991 11.158 1.00 0.00 C ATOM 298 CZ TYR A 22 1.197 6.174 11.049 1.00 0.00 C ATOM 299 OH TYR A 22 1.660 7.304 11.684 1.00 0.00 O ATOM 0 H TYR A 22 -1.387 3.256 6.546 1.00 0.00 H new ATOM 0 HA TYR A 22 1.318 2.708 7.598 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -1.337 2.663 9.071 1.00 0.00 H new ATOM 0 HB3 TYR A 22 0.062 1.771 9.636 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -1.336 5.141 9.093 1.00 0.00 H new ATOM 0 HD2 TYR A 22 1.980 2.934 10.604 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -0.511 7.159 10.223 1.00 0.00 H new ATOM 0 HE2 TYR A 22 2.806 4.949 11.740 1.00 0.00 H new ATOM 0 HH TYR A 22 2.488 7.093 12.164 1.00 0.00 H new ATOM 309 N LEU A 23 0.664 0.126 7.765 1.00 0.00 N ATOM 310 CA LEU A 23 0.522 -1.276 7.389 1.00 0.00 C ATOM 311 C LEU A 23 0.459 -2.168 8.625 1.00 0.00 C ATOM 312 O LEU A 23 1.083 -1.876 9.645 1.00 0.00 O ATOM 313 CB LEU A 23 1.686 -1.705 6.495 1.00 0.00 C ATOM 314 CG LEU A 23 1.755 -1.043 5.118 1.00 0.00 C ATOM 315 CD1 LEU A 23 3.067 -1.383 4.428 1.00 0.00 C ATOM 316 CD2 LEU A 23 0.573 -1.471 4.261 1.00 0.00 C ATOM 0 H LEU A 23 1.302 0.291 8.543 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.411 -1.386 6.837 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.618 -1.499 7.022 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.631 -2.785 6.355 1.00 0.00 H new ATOM 0 HG LEU A 23 1.708 0.038 5.252 1.00 0.00 H new ATOM 0 HD11 LEU A 23 3.099 -0.903 3.450 1.00 0.00 H new ATOM 0 HD12 LEU A 23 3.900 -1.026 5.034 1.00 0.00 H new ATOM 0 HD13 LEU A 23 3.144 -2.463 4.305 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.638 -0.990 3.285 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.589 -2.553 4.134 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -0.356 -1.176 4.749 1.00 0.00 H new ATOM 328 N ARG A 24 -0.296 -3.257 8.525 1.00 0.00 N ATOM 329 CA ARG A 24 -0.440 -4.192 9.634 1.00 0.00 C ATOM 330 C ARG A 24 -0.735 -5.599 9.124 1.00 0.00 C ATOM 331 O ARG A 24 -1.463 -5.776 8.147 1.00 0.00 O ATOM 332 CB ARG A 24 -1.556 -3.734 10.574 1.00 0.00 C ATOM 333 CG ARG A 24 -1.554 -4.448 11.916 1.00 0.00 C ATOM 334 CD ARG A 24 -2.585 -3.855 12.864 1.00 0.00 C ATOM 335 NE ARG A 24 -2.528 -4.469 14.188 1.00 0.00 N ATOM 336 CZ ARG A 24 -3.034 -5.666 14.465 1.00 0.00 C ATOM 337 NH1 ARG A 24 -3.631 -6.373 13.516 1.00 0.00 N ATOM 338 NH2 ARG A 24 -2.943 -6.157 15.694 1.00 0.00 N ATOM 0 H ARG A 24 -0.818 -3.514 7.687 1.00 0.00 H new ATOM 0 HA ARG A 24 0.502 -4.213 10.183 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -1.460 -2.661 10.743 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -2.518 -3.895 10.088 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -1.763 -5.507 11.766 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -0.563 -4.379 12.365 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -2.419 -2.782 12.955 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -3.582 -3.989 12.445 1.00 0.00 H new ATOM 0 HE ARG A 24 -2.075 -3.951 14.941 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -3.703 -5.999 12.570 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -4.018 -7.292 13.732 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -2.484 -5.616 16.427 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -3.332 -7.076 15.906 1.00 0.00 H new ATOM 352 N ALA A 25 -0.164 -6.597 9.791 1.00 0.00 N ATOM 353 CA ALA A 25 -0.368 -7.988 9.407 1.00 0.00 C ATOM 354 C ALA A 25 -1.832 -8.389 9.549 1.00 0.00 C ATOM 355 O ALA A 25 -2.339 -8.540 10.660 1.00 0.00 O ATOM 356 CB ALA A 25 0.515 -8.901 10.244 1.00 0.00 C ATOM 0 H ALA A 25 0.444 -6.468 10.600 1.00 0.00 H new ATOM 0 HA ALA A 25 -0.091 -8.093 8.358 1.00 0.00 H new ATOM 0 HB1 ALA A 25 0.352 -9.937 9.947 1.00 0.00 H new ATOM 0 HB2 ALA A 25 1.561 -8.639 10.088 1.00 0.00 H new ATOM 0 HB3 ALA A 25 0.265 -8.783 11.298 1.00 0.00 H new ATOM 362 N GLY A 26 -2.507 -8.559 8.416 1.00 0.00 N ATOM 363 CA GLY A 26 -3.908 -8.940 8.438 1.00 0.00 C ATOM 364 C GLY A 26 -4.105 -10.407 8.764 1.00 0.00 C ATOM 365 O GLY A 26 -3.180 -11.100 9.187 1.00 0.00 O ATOM 0 H GLY A 26 -2.109 -8.440 7.484 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -4.435 -8.333 9.175 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -4.356 -8.723 7.468 1.00 0.00 H new ATOM 369 N PRO A 27 -5.336 -10.901 8.567 1.00 0.00 N ATOM 370 CA PRO A 27 -5.681 -12.299 8.838 1.00 0.00 C ATOM 371 C PRO A 27 -5.032 -13.259 7.847 1.00 0.00 C ATOM 372 O PRO A 27 -4.160 -12.868 7.071 1.00 0.00 O ATOM 373 CB PRO A 27 -7.204 -12.325 8.688 1.00 0.00 C ATOM 374 CG PRO A 27 -7.513 -11.191 7.773 1.00 0.00 C ATOM 375 CD PRO A 27 -6.487 -10.131 8.065 1.00 0.00 C ATOM 0 HA PRO A 27 -5.330 -12.622 9.818 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -7.545 -13.273 8.273 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -7.699 -12.203 9.651 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -7.463 -11.506 6.731 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -8.522 -10.815 7.944 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -6.231 -9.562 7.171 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -6.847 -9.417 8.806 1.00 0.00 H new ATOM 383 N GLU A 28 -5.463 -14.516 7.878 1.00 0.00 N ATOM 384 CA GLU A 28 -4.922 -15.531 6.982 1.00 0.00 C ATOM 385 C GLU A 28 -4.571 -14.927 5.625 1.00 0.00 C ATOM 386 O GLU A 28 -3.500 -15.188 5.077 1.00 0.00 O ATOM 387 CB GLU A 28 -5.926 -16.671 6.800 1.00 0.00 C ATOM 388 CG GLU A 28 -7.262 -16.220 6.231 1.00 0.00 C ATOM 389 CD GLU A 28 -8.338 -17.280 6.361 1.00 0.00 C ATOM 390 OE1 GLU A 28 -8.878 -17.443 7.475 1.00 0.00 O ATOM 391 OE2 GLU A 28 -8.641 -17.947 5.349 1.00 0.00 O ATOM 0 H GLU A 28 -6.185 -14.856 8.514 1.00 0.00 H new ATOM 0 HA GLU A 28 -4.011 -15.927 7.431 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.494 -17.422 6.139 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.095 -17.153 7.763 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.585 -15.315 6.745 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -7.136 -15.962 5.179 1.00 0.00 H new ATOM 398 N GLN A 29 -5.481 -14.120 5.090 1.00 0.00 N ATOM 399 CA GLN A 29 -5.269 -13.480 3.797 1.00 0.00 C ATOM 400 C GLN A 29 -3.862 -12.897 3.703 1.00 0.00 C ATOM 401 O GLN A 29 -3.369 -12.281 4.648 1.00 0.00 O ATOM 402 CB GLN A 29 -6.306 -12.378 3.573 1.00 0.00 C ATOM 403 CG GLN A 29 -7.707 -12.906 3.310 1.00 0.00 C ATOM 404 CD GLN A 29 -7.718 -14.080 2.351 1.00 0.00 C ATOM 405 OE1 GLN A 29 -7.774 -15.237 2.768 1.00 0.00 O ATOM 406 NE2 GLN A 29 -7.664 -13.788 1.057 1.00 0.00 N ATOM 0 H GLN A 29 -6.372 -13.894 5.532 1.00 0.00 H new ATOM 0 HA GLN A 29 -5.382 -14.238 3.022 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -6.330 -11.729 4.449 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -5.994 -11.763 2.729 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -8.160 -13.209 4.254 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -8.323 -12.104 2.903 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -7.619 -12.815 0.755 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -7.668 -14.537 0.365 1.00 0.00 H new ATOM 415 N LYS A 30 -3.221 -13.095 2.557 1.00 0.00 N ATOM 416 CA LYS A 30 -1.871 -12.589 2.337 1.00 0.00 C ATOM 417 C LYS A 30 -1.903 -11.132 1.886 1.00 0.00 C ATOM 418 O LYS A 30 -2.706 -10.753 1.035 1.00 0.00 O ATOM 419 CB LYS A 30 -1.148 -13.442 1.292 1.00 0.00 C ATOM 420 CG LYS A 30 -0.986 -14.896 1.700 1.00 0.00 C ATOM 421 CD LYS A 30 -2.165 -15.738 1.242 1.00 0.00 C ATOM 422 CE LYS A 30 -1.961 -17.209 1.572 1.00 0.00 C ATOM 423 NZ LYS A 30 -2.727 -18.095 0.653 1.00 0.00 N ATOM 0 H LYS A 30 -3.615 -13.603 1.765 1.00 0.00 H new ATOM 0 HA LYS A 30 -1.330 -12.647 3.281 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -1.700 -13.396 0.353 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -0.163 -13.014 1.104 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -0.066 -15.294 1.273 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -0.890 -14.962 2.784 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -3.077 -15.380 1.720 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -2.301 -15.621 0.167 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -0.900 -17.451 1.510 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -2.271 -17.397 2.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -2.561 -19.089 0.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -3.742 -17.882 0.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -2.413 -17.934 -0.326 1.00 0.00 H new ATOM 437 N GLY A 31 -1.022 -10.320 2.462 1.00 0.00 N ATOM 438 CA GLY A 31 -0.965 -8.914 2.105 1.00 0.00 C ATOM 439 C GLY A 31 -1.033 -8.005 3.316 1.00 0.00 C ATOM 440 O GLY A 31 -1.409 -8.439 4.404 1.00 0.00 O ATOM 0 H GLY A 31 -0.347 -10.610 3.169 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -0.042 -8.718 1.559 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -1.790 -8.680 1.432 1.00 0.00 H new ATOM 444 N GLN A 32 -0.665 -6.742 3.127 1.00 0.00 N ATOM 445 CA GLN A 32 -0.684 -5.771 4.215 1.00 0.00 C ATOM 446 C GLN A 32 -1.935 -4.901 4.146 1.00 0.00 C ATOM 447 O GLN A 32 -2.362 -4.496 3.065 1.00 0.00 O ATOM 448 CB GLN A 32 0.567 -4.892 4.163 1.00 0.00 C ATOM 449 CG GLN A 32 1.849 -5.637 4.497 1.00 0.00 C ATOM 450 CD GLN A 32 1.788 -6.327 5.846 1.00 0.00 C ATOM 451 OE1 GLN A 32 1.405 -5.724 6.848 1.00 0.00 O ATOM 452 NE2 GLN A 32 2.165 -7.600 5.877 1.00 0.00 N ATOM 0 H GLN A 32 -0.350 -6.367 2.232 1.00 0.00 H new ATOM 0 HA GLN A 32 -0.696 -6.318 5.158 1.00 0.00 H new ATOM 0 HB2 GLN A 32 0.657 -4.461 3.166 1.00 0.00 H new ATOM 0 HB3 GLN A 32 0.447 -4.062 4.860 1.00 0.00 H new ATOM 0 HG2 GLN A 32 2.046 -6.378 3.723 1.00 0.00 H new ATOM 0 HG3 GLN A 32 2.684 -4.937 4.489 1.00 0.00 H new ATOM 0 HE21 GLN A 32 2.476 -8.061 5.022 1.00 0.00 H new ATOM 0 HE22 GLN A 32 2.144 -8.117 6.756 1.00 0.00 H new ATOM 461 N ILE A 33 -2.517 -4.618 5.307 1.00 0.00 N ATOM 462 CA ILE A 33 -3.718 -3.795 5.378 1.00 0.00 C ATOM 463 C ILE A 33 -3.376 -2.353 5.735 1.00 0.00 C ATOM 464 O ILE A 33 -2.569 -2.099 6.630 1.00 0.00 O ATOM 465 CB ILE A 33 -4.717 -4.346 6.412 1.00 0.00 C ATOM 466 CG1 ILE A 33 -4.966 -5.836 6.171 1.00 0.00 C ATOM 467 CG2 ILE A 33 -6.023 -3.569 6.353 1.00 0.00 C ATOM 468 CD1 ILE A 33 -5.582 -6.546 7.356 1.00 0.00 C ATOM 0 H ILE A 33 -2.176 -4.946 6.211 1.00 0.00 H new ATOM 0 HA ILE A 33 -4.178 -3.822 4.390 1.00 0.00 H new ATOM 0 HB ILE A 33 -4.290 -4.225 7.407 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -5.622 -5.951 5.308 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -4.021 -6.318 5.920 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -6.719 -3.970 7.090 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -5.831 -2.518 6.570 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -6.456 -3.661 5.357 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -5.730 -7.598 7.113 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -4.918 -6.462 8.216 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -6.543 -6.090 7.594 1.00 0.00 H new ATOM 480 N ILE A 34 -3.996 -1.412 5.031 1.00 0.00 N ATOM 481 CA ILE A 34 -3.760 0.005 5.276 1.00 0.00 C ATOM 482 C ILE A 34 -4.758 0.562 6.285 1.00 0.00 C ATOM 483 O ILE A 34 -5.920 0.155 6.316 1.00 0.00 O ATOM 484 CB ILE A 34 -3.851 0.824 3.975 1.00 0.00 C ATOM 485 CG1 ILE A 34 -2.726 0.427 3.017 1.00 0.00 C ATOM 486 CG2 ILE A 34 -3.791 2.313 4.282 1.00 0.00 C ATOM 487 CD1 ILE A 34 -2.859 1.040 1.641 1.00 0.00 C ATOM 0 H ILE A 34 -4.666 -1.606 4.286 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.751 0.092 5.680 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.805 0.610 3.494 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.770 0.726 3.448 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.707 -0.659 2.922 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.856 2.879 3.353 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.623 2.584 4.932 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.850 2.544 4.782 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -2.027 0.715 1.016 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.798 0.721 1.190 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.847 2.127 1.724 1.00 0.00 H new ATOM 499 N LYS A 35 -4.299 1.498 7.109 1.00 0.00 N ATOM 500 CA LYS A 35 -5.151 2.115 8.118 1.00 0.00 C ATOM 501 C LYS A 35 -4.484 3.352 8.712 1.00 0.00 C ATOM 502 O LYS A 35 -3.296 3.592 8.496 1.00 0.00 O ATOM 503 CB LYS A 35 -5.470 1.112 9.229 1.00 0.00 C ATOM 504 CG LYS A 35 -4.235 0.511 9.878 1.00 0.00 C ATOM 505 CD LYS A 35 -3.793 -0.757 9.167 1.00 0.00 C ATOM 506 CE LYS A 35 -4.724 -1.920 9.471 1.00 0.00 C ATOM 507 NZ LYS A 35 -4.604 -2.372 10.885 1.00 0.00 N ATOM 0 H LYS A 35 -3.340 1.846 7.097 1.00 0.00 H new ATOM 0 HA LYS A 35 -6.079 2.421 7.635 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -6.068 1.608 9.994 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -6.081 0.309 8.818 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.424 1.239 9.863 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -4.444 0.288 10.924 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -3.767 -0.582 8.091 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -2.778 -1.012 9.473 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -5.753 -1.623 9.271 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -4.497 -2.751 8.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -4.745 -3.401 10.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -3.658 -2.135 11.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -5.325 -1.896 11.464 1.00 0.00 H new ATOM 521 N ASP A 36 -5.255 4.133 9.460 1.00 0.00 N ATOM 522 CA ASP A 36 -4.738 5.344 10.087 1.00 0.00 C ATOM 523 C ASP A 36 -4.238 6.329 9.035 1.00 0.00 C ATOM 524 O ASP A 36 -3.186 6.948 9.200 1.00 0.00 O ATOM 525 CB ASP A 36 -3.607 4.998 11.058 1.00 0.00 C ATOM 526 CG ASP A 36 -4.064 4.082 12.176 1.00 0.00 C ATOM 527 OD1 ASP A 36 -4.078 2.851 11.966 1.00 0.00 O ATOM 528 OD2 ASP A 36 -4.409 4.596 13.261 1.00 0.00 O ATOM 0 H ASP A 36 -6.241 3.949 9.647 1.00 0.00 H new ATOM 0 HA ASP A 36 -5.551 5.813 10.641 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -2.795 4.520 10.510 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -3.206 5.917 11.486 1.00 0.00 H new ATOM 533 N ILE A 37 -4.998 6.469 7.954 1.00 0.00 N ATOM 534 CA ILE A 37 -4.632 7.379 6.876 1.00 0.00 C ATOM 535 C ILE A 37 -4.658 8.829 7.348 1.00 0.00 C ATOM 536 O ILE A 37 -5.577 9.246 8.052 1.00 0.00 O ATOM 537 CB ILE A 37 -5.574 7.228 5.667 1.00 0.00 C ATOM 538 CG1 ILE A 37 -5.453 5.823 5.072 1.00 0.00 C ATOM 539 CG2 ILE A 37 -5.262 8.283 4.617 1.00 0.00 C ATOM 540 CD1 ILE A 37 -6.446 5.549 3.964 1.00 0.00 C ATOM 0 H ILE A 37 -5.871 5.964 7.802 1.00 0.00 H new ATOM 0 HA ILE A 37 -3.619 7.116 6.572 1.00 0.00 H new ATOM 0 HB ILE A 37 -6.600 7.373 6.004 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -4.443 5.686 4.686 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -5.593 5.088 5.865 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -5.936 8.163 3.769 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -5.394 9.275 5.048 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -4.232 8.168 4.280 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -6.303 4.535 3.589 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -7.460 5.653 4.350 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -6.292 6.261 3.153 1.00 0.00 H new ATOM 552 N GLU A 38 -3.643 9.592 6.953 1.00 0.00 N ATOM 553 CA GLU A 38 -3.551 10.997 7.335 1.00 0.00 C ATOM 554 C GLU A 38 -4.165 11.893 6.264 1.00 0.00 C ATOM 555 O GLU A 38 -4.065 11.629 5.065 1.00 0.00 O ATOM 556 CB GLU A 38 -2.091 11.389 7.569 1.00 0.00 C ATOM 557 CG GLU A 38 -1.398 10.550 8.629 1.00 0.00 C ATOM 558 CD GLU A 38 -1.890 10.856 10.030 1.00 0.00 C ATOM 559 OE1 GLU A 38 -2.262 12.021 10.286 1.00 0.00 O ATOM 560 OE2 GLU A 38 -1.904 9.932 10.870 1.00 0.00 O ATOM 0 H GLU A 38 -2.874 9.262 6.370 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.109 11.133 8.261 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.544 11.298 6.631 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -2.048 12.438 7.862 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.560 9.494 8.414 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -0.323 10.724 8.579 1.00 0.00 H new ATOM 567 N PRO A 39 -4.815 12.980 6.704 1.00 0.00 N ATOM 568 CA PRO A 39 -5.458 13.939 5.800 1.00 0.00 C ATOM 569 C PRO A 39 -4.445 14.749 4.999 1.00 0.00 C ATOM 570 O PRO A 39 -3.337 15.009 5.464 1.00 0.00 O ATOM 571 CB PRO A 39 -6.242 14.849 6.748 1.00 0.00 C ATOM 572 CG PRO A 39 -5.519 14.757 8.047 1.00 0.00 C ATOM 573 CD PRO A 39 -4.973 13.358 8.119 1.00 0.00 C ATOM 0 HA PRO A 39 -6.078 13.443 5.054 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -6.267 15.875 6.381 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -7.277 14.520 6.847 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -4.716 15.492 8.100 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -6.190 14.957 8.882 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -4.023 13.324 8.652 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -5.655 12.687 8.640 1.00 0.00 H new ATOM 581 N GLY A 40 -4.834 15.147 3.791 1.00 0.00 N ATOM 582 CA GLY A 40 -3.948 15.925 2.945 1.00 0.00 C ATOM 583 C GLY A 40 -2.558 15.327 2.858 1.00 0.00 C ATOM 584 O GLY A 40 -1.597 16.020 2.524 1.00 0.00 O ATOM 0 H GLY A 40 -5.747 14.944 3.384 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.374 15.994 1.944 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -3.880 16.941 3.333 1.00 0.00 H new ATOM 588 N SER A 41 -2.450 14.037 3.159 1.00 0.00 N ATOM 589 CA SER A 41 -1.166 13.347 3.118 1.00 0.00 C ATOM 590 C SER A 41 -0.965 12.651 1.776 1.00 0.00 C ATOM 591 O SER A 41 -1.919 12.296 1.083 1.00 0.00 O ATOM 592 CB SER A 41 -1.075 12.326 4.254 1.00 0.00 C ATOM 593 OG SER A 41 -1.745 11.124 3.913 1.00 0.00 O ATOM 0 H SER A 41 -3.236 13.448 3.434 1.00 0.00 H new ATOM 0 HA SER A 41 -0.379 14.090 3.243 1.00 0.00 H new ATOM 0 HB2 SER A 41 -0.029 12.113 4.473 1.00 0.00 H new ATOM 0 HB3 SER A 41 -1.512 12.745 5.160 1.00 0.00 H new ATOM 0 HG SER A 41 -2.665 11.156 4.249 1.00 0.00 H new ATOM 599 N PRO A 42 0.306 12.452 1.398 1.00 0.00 N ATOM 600 CA PRO A 42 0.663 11.797 0.136 1.00 0.00 C ATOM 601 C PRO A 42 -0.114 10.504 -0.087 1.00 0.00 C ATOM 602 O PRO A 42 -0.311 10.074 -1.223 1.00 0.00 O ATOM 603 CB PRO A 42 2.156 11.502 0.299 1.00 0.00 C ATOM 604 CG PRO A 42 2.641 12.525 1.267 1.00 0.00 C ATOM 605 CD PRO A 42 1.493 12.850 2.173 1.00 0.00 C ATOM 0 HA PRO A 42 0.429 12.421 -0.727 1.00 0.00 H new ATOM 0 HB2 PRO A 42 2.321 10.492 0.674 1.00 0.00 H new ATOM 0 HB3 PRO A 42 2.681 11.578 -0.653 1.00 0.00 H new ATOM 0 HG2 PRO A 42 3.487 12.144 1.839 1.00 0.00 H new ATOM 0 HG3 PRO A 42 2.985 13.418 0.745 1.00 0.00 H new ATOM 0 HD2 PRO A 42 1.558 12.302 3.113 1.00 0.00 H new ATOM 0 HD3 PRO A 42 1.469 13.911 2.423 1.00 0.00 H new ATOM 613 N ALA A 43 -0.554 9.888 1.006 1.00 0.00 N ATOM 614 CA ALA A 43 -1.312 8.646 0.930 1.00 0.00 C ATOM 615 C ALA A 43 -2.737 8.900 0.450 1.00 0.00 C ATOM 616 O ALA A 43 -3.208 8.262 -0.491 1.00 0.00 O ATOM 617 CB ALA A 43 -1.325 7.951 2.283 1.00 0.00 C ATOM 0 H ALA A 43 -0.398 10.230 1.954 1.00 0.00 H new ATOM 0 HA ALA A 43 -0.823 7.996 0.205 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -1.895 7.025 2.211 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.303 7.725 2.586 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.787 8.604 3.023 1.00 0.00 H new ATOM 623 N GLU A 44 -3.419 9.836 1.104 1.00 0.00 N ATOM 624 CA GLU A 44 -4.791 10.173 0.744 1.00 0.00 C ATOM 625 C GLU A 44 -4.849 10.812 -0.641 1.00 0.00 C ATOM 626 O GLU A 44 -5.729 10.501 -1.443 1.00 0.00 O ATOM 627 CB GLU A 44 -5.396 11.122 1.781 1.00 0.00 C ATOM 628 CG GLU A 44 -6.882 11.369 1.586 1.00 0.00 C ATOM 629 CD GLU A 44 -7.725 10.158 1.936 1.00 0.00 C ATOM 630 OE1 GLU A 44 -7.465 9.072 1.376 1.00 0.00 O ATOM 631 OE2 GLU A 44 -8.645 10.295 2.770 1.00 0.00 O ATOM 0 H GLU A 44 -3.044 10.374 1.885 1.00 0.00 H new ATOM 0 HA GLU A 44 -5.371 9.250 0.724 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -5.232 10.710 2.777 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -4.869 12.075 1.740 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -7.190 12.213 2.203 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -7.067 11.649 0.549 1.00 0.00 H new ATOM 638 N ALA A 45 -3.905 11.706 -0.913 1.00 0.00 N ATOM 639 CA ALA A 45 -3.847 12.388 -2.201 1.00 0.00 C ATOM 640 C ALA A 45 -3.676 11.391 -3.342 1.00 0.00 C ATOM 641 O ALA A 45 -4.239 11.569 -4.423 1.00 0.00 O ATOM 642 CB ALA A 45 -2.713 13.403 -2.210 1.00 0.00 C ATOM 0 H ALA A 45 -3.170 11.975 -0.259 1.00 0.00 H new ATOM 0 HA ALA A 45 -4.791 12.913 -2.350 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -2.681 13.905 -3.177 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -2.878 14.140 -1.424 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -1.766 12.892 -2.035 1.00 0.00 H new ATOM 648 N ALA A 46 -2.897 10.344 -3.096 1.00 0.00 N ATOM 649 CA ALA A 46 -2.654 9.318 -4.103 1.00 0.00 C ATOM 650 C ALA A 46 -3.948 8.611 -4.489 1.00 0.00 C ATOM 651 O ALA A 46 -4.114 8.178 -5.629 1.00 0.00 O ATOM 652 CB ALA A 46 -1.631 8.313 -3.596 1.00 0.00 C ATOM 0 H ALA A 46 -2.423 10.183 -2.207 1.00 0.00 H new ATOM 0 HA ALA A 46 -2.257 9.805 -4.994 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.459 7.553 -4.358 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -0.694 8.826 -3.378 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.005 7.839 -2.689 1.00 0.00 H new ATOM 658 N GLY A 47 -4.863 8.495 -3.531 1.00 0.00 N ATOM 659 CA GLY A 47 -6.130 7.838 -3.791 1.00 0.00 C ATOM 660 C GLY A 47 -6.271 6.531 -3.037 1.00 0.00 C ATOM 661 O GLY A 47 -7.046 5.658 -3.431 1.00 0.00 O ATOM 0 H GLY A 47 -4.749 8.845 -2.580 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -6.946 8.505 -3.511 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -6.225 7.649 -4.860 1.00 0.00 H new ATOM 665 N LEU A 48 -5.519 6.393 -1.951 1.00 0.00 N ATOM 666 CA LEU A 48 -5.562 5.181 -1.139 1.00 0.00 C ATOM 667 C LEU A 48 -6.948 4.980 -0.534 1.00 0.00 C ATOM 668 O LEU A 48 -7.879 5.732 -0.823 1.00 0.00 O ATOM 669 CB LEU A 48 -4.513 5.250 -0.028 1.00 0.00 C ATOM 670 CG LEU A 48 -3.133 4.690 -0.373 1.00 0.00 C ATOM 671 CD1 LEU A 48 -2.214 4.751 0.837 1.00 0.00 C ATOM 672 CD2 LEU A 48 -3.250 3.261 -0.884 1.00 0.00 C ATOM 0 H LEU A 48 -4.872 7.105 -1.612 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.341 4.332 -1.786 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -4.396 6.292 0.270 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -4.895 4.712 0.839 1.00 0.00 H new ATOM 0 HG LEU A 48 -2.701 5.304 -1.163 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -1.236 4.348 0.572 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.105 5.787 1.159 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.641 4.162 1.649 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.258 2.878 -1.125 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.703 2.636 -0.115 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.872 3.244 -1.779 1.00 0.00 H new ATOM 684 N LYS A 49 -7.077 3.962 0.310 1.00 0.00 N ATOM 685 CA LYS A 49 -8.347 3.663 0.960 1.00 0.00 C ATOM 686 C LYS A 49 -8.132 2.817 2.211 1.00 0.00 C ATOM 687 O LYS A 49 -7.350 1.867 2.202 1.00 0.00 O ATOM 688 CB LYS A 49 -9.280 2.932 -0.009 1.00 0.00 C ATOM 689 CG LYS A 49 -10.018 3.860 -0.958 1.00 0.00 C ATOM 690 CD LYS A 49 -11.371 3.292 -1.352 1.00 0.00 C ATOM 691 CE LYS A 49 -11.225 2.107 -2.296 1.00 0.00 C ATOM 692 NZ LYS A 49 -12.449 1.899 -3.118 1.00 0.00 N ATOM 0 H LYS A 49 -6.317 3.330 0.560 1.00 0.00 H new ATOM 0 HA LYS A 49 -8.806 4.606 1.255 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -8.698 2.218 -0.592 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -10.008 2.358 0.564 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -10.154 4.833 -0.485 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -9.416 4.022 -1.852 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -11.911 2.982 -0.457 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -11.967 4.069 -1.831 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -10.370 2.269 -2.952 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -11.018 1.206 -1.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -12.310 1.083 -3.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -13.261 1.719 -2.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -12.633 2.749 -3.688 1.00 0.00 H new ATOM 706 N ASN A 50 -8.833 3.167 3.285 1.00 0.00 N ATOM 707 CA ASN A 50 -8.719 2.438 4.543 1.00 0.00 C ATOM 708 C ASN A 50 -8.992 0.951 4.337 1.00 0.00 C ATOM 709 O ASN A 50 -9.834 0.571 3.525 1.00 0.00 O ATOM 710 CB ASN A 50 -9.692 3.008 5.576 1.00 0.00 C ATOM 711 CG ASN A 50 -9.489 4.494 5.804 1.00 0.00 C ATOM 712 OD1 ASN A 50 -10.111 5.325 5.142 1.00 0.00 O ATOM 713 ND2 ASN A 50 -8.615 4.834 6.743 1.00 0.00 N ATOM 0 H ASN A 50 -9.486 3.951 3.309 1.00 0.00 H new ATOM 0 HA ASN A 50 -7.699 2.554 4.911 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -10.715 2.831 5.244 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -9.567 2.478 6.520 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -8.436 5.819 6.941 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -8.122 4.111 7.267 1.00 0.00 H new ATOM 720 N ASN A 51 -8.273 0.115 5.079 1.00 0.00 N ATOM 721 CA ASN A 51 -8.437 -1.330 4.979 1.00 0.00 C ATOM 722 C ASN A 51 -8.078 -1.822 3.580 1.00 0.00 C ATOM 723 O ASN A 51 -8.716 -2.732 3.048 1.00 0.00 O ATOM 724 CB ASN A 51 -9.875 -1.726 5.318 1.00 0.00 C ATOM 725 CG ASN A 51 -10.132 -1.748 6.812 1.00 0.00 C ATOM 726 OD1 ASN A 51 -10.385 -2.802 7.394 1.00 0.00 O ATOM 727 ND2 ASN A 51 -10.068 -0.580 7.440 1.00 0.00 N ATOM 0 H ASN A 51 -7.571 0.414 5.756 1.00 0.00 H new ATOM 0 HA ASN A 51 -7.761 -1.798 5.694 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -10.563 -1.026 4.844 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -10.085 -2.711 4.901 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -10.232 -0.532 8.446 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -9.855 0.269 6.917 1.00 0.00 H new ATOM 734 N ASP A 52 -7.054 -1.216 2.990 1.00 0.00 N ATOM 735 CA ASP A 52 -6.609 -1.593 1.653 1.00 0.00 C ATOM 736 C ASP A 52 -5.609 -2.742 1.718 1.00 0.00 C ATOM 737 O ASP A 52 -4.536 -2.614 2.310 1.00 0.00 O ATOM 738 CB ASP A 52 -5.981 -0.392 0.944 1.00 0.00 C ATOM 739 CG ASP A 52 -6.994 0.406 0.148 1.00 0.00 C ATOM 740 OD1 ASP A 52 -8.204 0.278 0.430 1.00 0.00 O ATOM 741 OD2 ASP A 52 -6.577 1.159 -0.757 1.00 0.00 O ATOM 0 H ASP A 52 -6.516 -0.461 3.416 1.00 0.00 H new ATOM 0 HA ASP A 52 -7.479 -1.924 1.086 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -5.511 0.257 1.683 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -5.192 -0.739 0.277 1.00 0.00 H new ATOM 746 N LEU A 53 -5.966 -3.866 1.106 1.00 0.00 N ATOM 747 CA LEU A 53 -5.100 -5.040 1.094 1.00 0.00 C ATOM 748 C LEU A 53 -4.160 -5.011 -0.106 1.00 0.00 C ATOM 749 O LEU A 53 -4.594 -5.132 -1.251 1.00 0.00 O ATOM 750 CB LEU A 53 -5.941 -6.318 1.068 1.00 0.00 C ATOM 751 CG LEU A 53 -5.187 -7.623 1.329 1.00 0.00 C ATOM 752 CD1 LEU A 53 -4.928 -7.800 2.817 1.00 0.00 C ATOM 753 CD2 LEU A 53 -5.965 -8.808 0.776 1.00 0.00 C ATOM 0 H LEU A 53 -6.850 -3.989 0.611 1.00 0.00 H new ATOM 0 HA LEU A 53 -4.498 -5.027 2.003 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -6.732 -6.224 1.812 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -6.426 -6.390 0.094 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.226 -7.575 0.817 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -4.391 -8.734 2.984 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.330 -6.966 3.184 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -5.878 -7.827 3.351 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -5.414 -9.728 0.971 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -6.941 -8.860 1.259 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -6.099 -8.686 -0.299 1.00 0.00 H new ATOM 765 N VAL A 54 -2.868 -4.852 0.164 1.00 0.00 N ATOM 766 CA VAL A 54 -1.865 -4.811 -0.893 1.00 0.00 C ATOM 767 C VAL A 54 -1.281 -6.196 -1.151 1.00 0.00 C ATOM 768 O VAL A 54 -0.590 -6.758 -0.302 1.00 0.00 O ATOM 769 CB VAL A 54 -0.721 -3.841 -0.544 1.00 0.00 C ATOM 770 CG1 VAL A 54 0.242 -3.708 -1.713 1.00 0.00 C ATOM 771 CG2 VAL A 54 -1.278 -2.483 -0.144 1.00 0.00 C ATOM 0 H VAL A 54 -2.492 -4.749 1.106 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.369 -4.459 -1.793 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.170 -4.247 0.305 1.00 0.00 H new ATOM 0 HG11 VAL A 54 1.043 -3.019 -1.448 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.666 -4.684 -1.948 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -0.292 -3.326 -2.583 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.456 -1.810 0.099 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.854 -2.068 -0.971 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.924 -2.597 0.727 1.00 0.00 H new ATOM 781 N VAL A 55 -1.564 -6.741 -2.330 1.00 0.00 N ATOM 782 CA VAL A 55 -1.066 -8.060 -2.702 1.00 0.00 C ATOM 783 C VAL A 55 0.235 -7.954 -3.490 1.00 0.00 C ATOM 784 O VAL A 55 0.984 -8.923 -3.604 1.00 0.00 O ATOM 785 CB VAL A 55 -2.100 -8.834 -3.540 1.00 0.00 C ATOM 786 CG1 VAL A 55 -3.228 -9.346 -2.658 1.00 0.00 C ATOM 787 CG2 VAL A 55 -2.643 -7.958 -4.659 1.00 0.00 C ATOM 0 H VAL A 55 -2.136 -6.289 -3.044 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.882 -8.602 -1.775 1.00 0.00 H new ATOM 0 HB VAL A 55 -1.605 -9.694 -3.991 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -3.949 -9.890 -3.268 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -2.821 -10.012 -1.897 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -3.724 -8.504 -2.176 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -3.372 -8.522 -5.241 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -3.122 -7.077 -4.232 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.824 -7.647 -5.307 1.00 0.00 H new ATOM 797 N ALA A 56 0.497 -6.769 -4.032 1.00 0.00 N ATOM 798 CA ALA A 56 1.709 -6.535 -4.807 1.00 0.00 C ATOM 799 C ALA A 56 2.221 -5.112 -4.610 1.00 0.00 C ATOM 800 O ALA A 56 1.440 -4.182 -4.414 1.00 0.00 O ATOM 801 CB ALA A 56 1.452 -6.805 -6.283 1.00 0.00 C ATOM 0 H ALA A 56 -0.114 -5.956 -3.949 1.00 0.00 H new ATOM 0 HA ALA A 56 2.476 -7.222 -4.451 1.00 0.00 H new ATOM 0 HB1 ALA A 56 2.366 -6.626 -6.850 1.00 0.00 H new ATOM 0 HB2 ALA A 56 1.140 -7.841 -6.414 1.00 0.00 H new ATOM 0 HB3 ALA A 56 0.666 -6.141 -6.643 1.00 0.00 H new ATOM 807 N VAL A 57 3.540 -4.951 -4.661 1.00 0.00 N ATOM 808 CA VAL A 57 4.157 -3.641 -4.488 1.00 0.00 C ATOM 809 C VAL A 57 5.249 -3.407 -5.525 1.00 0.00 C ATOM 810 O VAL A 57 6.218 -4.162 -5.602 1.00 0.00 O ATOM 811 CB VAL A 57 4.759 -3.486 -3.079 1.00 0.00 C ATOM 812 CG1 VAL A 57 5.427 -2.128 -2.930 1.00 0.00 C ATOM 813 CG2 VAL A 57 3.688 -3.682 -2.017 1.00 0.00 C ATOM 0 H VAL A 57 4.201 -5.711 -4.821 1.00 0.00 H new ATOM 0 HA VAL A 57 3.369 -2.900 -4.621 1.00 0.00 H new ATOM 0 HB VAL A 57 5.519 -4.255 -2.941 1.00 0.00 H new ATOM 0 HG11 VAL A 57 5.846 -2.037 -1.928 1.00 0.00 H new ATOM 0 HG12 VAL A 57 6.224 -2.032 -3.667 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.690 -1.341 -3.088 1.00 0.00 H new ATOM 0 HG21 VAL A 57 4.132 -3.569 -1.028 1.00 0.00 H new ATOM 0 HG22 VAL A 57 2.903 -2.937 -2.150 1.00 0.00 H new ATOM 0 HG23 VAL A 57 3.261 -4.680 -2.111 1.00 0.00 H new ATOM 823 N ASN A 58 5.087 -2.354 -6.320 1.00 0.00 N ATOM 824 CA ASN A 58 6.060 -2.020 -7.354 1.00 0.00 C ATOM 825 C ASN A 58 6.135 -3.121 -8.408 1.00 0.00 C ATOM 826 O ASN A 58 7.154 -3.286 -9.077 1.00 0.00 O ATOM 827 CB ASN A 58 7.441 -1.800 -6.732 1.00 0.00 C ATOM 828 CG ASN A 58 7.671 -0.356 -6.331 1.00 0.00 C ATOM 829 OD1 ASN A 58 6.822 0.507 -6.561 1.00 0.00 O ATOM 830 ND2 ASN A 58 8.823 -0.085 -5.728 1.00 0.00 N ATOM 0 H ASN A 58 4.292 -1.718 -6.268 1.00 0.00 H new ATOM 0 HA ASN A 58 5.735 -1.099 -7.839 1.00 0.00 H new ATOM 0 HB2 ASN A 58 7.548 -2.439 -5.855 1.00 0.00 H new ATOM 0 HB3 ASN A 58 8.209 -2.104 -7.443 1.00 0.00 H new ATOM 0 HD21 ASN A 58 9.033 0.869 -5.435 1.00 0.00 H new ATOM 0 HD22 ASN A 58 9.497 -0.831 -5.558 1.00 0.00 H new ATOM 837 N GLY A 59 5.046 -3.871 -8.550 1.00 0.00 N ATOM 838 CA GLY A 59 5.008 -4.946 -9.524 1.00 0.00 C ATOM 839 C GLY A 59 5.655 -6.217 -9.010 1.00 0.00 C ATOM 840 O GLY A 59 6.009 -7.102 -9.790 1.00 0.00 O ATOM 0 H GLY A 59 4.190 -3.753 -8.008 1.00 0.00 H new ATOM 0 HA2 GLY A 59 3.972 -5.152 -9.793 1.00 0.00 H new ATOM 0 HA3 GLY A 59 5.516 -4.626 -10.434 1.00 0.00 H new ATOM 844 N LYS A 60 5.813 -6.309 -7.694 1.00 0.00 N ATOM 845 CA LYS A 60 6.422 -7.480 -7.076 1.00 0.00 C ATOM 846 C LYS A 60 5.502 -8.076 -6.015 1.00 0.00 C ATOM 847 O LYS A 60 4.883 -7.349 -5.238 1.00 0.00 O ATOM 848 CB LYS A 60 7.768 -7.109 -6.449 1.00 0.00 C ATOM 849 CG LYS A 60 8.791 -6.611 -7.455 1.00 0.00 C ATOM 850 CD LYS A 60 9.646 -7.748 -7.991 1.00 0.00 C ATOM 851 CE LYS A 60 9.044 -8.351 -9.251 1.00 0.00 C ATOM 852 NZ LYS A 60 9.934 -9.383 -9.851 1.00 0.00 N ATOM 0 H LYS A 60 5.527 -5.585 -7.034 1.00 0.00 H new ATOM 0 HA LYS A 60 6.583 -8.227 -7.853 1.00 0.00 H new ATOM 0 HB2 LYS A 60 7.608 -6.339 -5.695 1.00 0.00 H new ATOM 0 HB3 LYS A 60 8.172 -7.981 -5.934 1.00 0.00 H new ATOM 0 HG2 LYS A 60 8.279 -6.118 -8.282 1.00 0.00 H new ATOM 0 HG3 LYS A 60 9.431 -5.864 -6.985 1.00 0.00 H new ATOM 0 HD2 LYS A 60 10.649 -7.380 -8.206 1.00 0.00 H new ATOM 0 HD3 LYS A 60 9.746 -8.520 -7.228 1.00 0.00 H new ATOM 0 HE2 LYS A 60 8.078 -8.797 -9.014 1.00 0.00 H new ATOM 0 HE3 LYS A 60 8.860 -7.561 -9.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 9.489 -9.770 -10.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 10.847 -8.952 -10.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 10.089 -10.149 -9.165 1.00 0.00 H new ATOM 866 N SER A 61 5.419 -9.402 -5.987 1.00 0.00 N ATOM 867 CA SER A 61 4.573 -10.095 -5.022 1.00 0.00 C ATOM 868 C SER A 61 5.102 -9.909 -3.603 1.00 0.00 C ATOM 869 O SER A 61 6.229 -10.295 -3.292 1.00 0.00 O ATOM 870 CB SER A 61 4.496 -11.586 -5.358 1.00 0.00 C ATOM 871 OG SER A 61 5.774 -12.100 -5.692 1.00 0.00 O ATOM 0 H SER A 61 5.927 -10.018 -6.621 1.00 0.00 H new ATOM 0 HA SER A 61 3.573 -9.665 -5.078 1.00 0.00 H new ATOM 0 HB2 SER A 61 4.091 -12.133 -4.507 1.00 0.00 H new ATOM 0 HB3 SER A 61 3.810 -11.739 -6.191 1.00 0.00 H new ATOM 0 HG SER A 61 6.443 -11.740 -5.073 1.00 0.00 H new ATOM 877 N VAL A 62 4.279 -9.313 -2.746 1.00 0.00 N ATOM 878 CA VAL A 62 4.662 -9.076 -1.359 1.00 0.00 C ATOM 879 C VAL A 62 3.773 -9.861 -0.401 1.00 0.00 C ATOM 880 O VAL A 62 4.223 -10.310 0.652 1.00 0.00 O ATOM 881 CB VAL A 62 4.584 -7.579 -1.004 1.00 0.00 C ATOM 882 CG1 VAL A 62 5.352 -6.748 -2.020 1.00 0.00 C ATOM 883 CG2 VAL A 62 3.134 -7.127 -0.920 1.00 0.00 C ATOM 0 H VAL A 62 3.344 -8.986 -2.987 1.00 0.00 H new ATOM 0 HA VAL A 62 5.693 -9.414 -1.253 1.00 0.00 H new ATOM 0 HB VAL A 62 5.044 -7.431 -0.027 1.00 0.00 H new ATOM 0 HG11 VAL A 62 5.285 -5.693 -1.752 1.00 0.00 H new ATOM 0 HG12 VAL A 62 6.398 -7.056 -2.026 1.00 0.00 H new ATOM 0 HG13 VAL A 62 4.924 -6.899 -3.011 1.00 0.00 H new ATOM 0 HG21 VAL A 62 3.097 -6.067 -0.668 1.00 0.00 H new ATOM 0 HG22 VAL A 62 2.646 -7.289 -1.881 1.00 0.00 H new ATOM 0 HG23 VAL A 62 2.618 -7.701 -0.150 1.00 0.00 H new ATOM 893 N GLU A 63 2.507 -10.023 -0.775 1.00 0.00 N ATOM 894 CA GLU A 63 1.555 -10.755 0.051 1.00 0.00 C ATOM 895 C GLU A 63 2.214 -11.972 0.693 1.00 0.00 C ATOM 896 O GLU A 63 1.835 -12.393 1.786 1.00 0.00 O ATOM 897 CB GLU A 63 0.351 -11.194 -0.785 1.00 0.00 C ATOM 898 CG GLU A 63 0.648 -12.360 -1.714 1.00 0.00 C ATOM 899 CD GLU A 63 1.219 -11.913 -3.046 1.00 0.00 C ATOM 900 OE1 GLU A 63 2.423 -11.590 -3.098 1.00 0.00 O ATOM 901 OE2 GLU A 63 0.459 -11.889 -4.037 1.00 0.00 O ATOM 0 H GLU A 63 2.118 -9.657 -1.644 1.00 0.00 H new ATOM 0 HA GLU A 63 1.214 -10.089 0.843 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -0.463 -11.472 -0.116 1.00 0.00 H new ATOM 0 HB3 GLU A 63 0.003 -10.348 -1.377 1.00 0.00 H new ATOM 0 HG2 GLU A 63 1.353 -13.036 -1.229 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -0.268 -12.925 -1.887 1.00 0.00 H new ATOM 908 N ALA A 64 3.202 -12.534 0.004 1.00 0.00 N ATOM 909 CA ALA A 64 3.915 -13.702 0.507 1.00 0.00 C ATOM 910 C ALA A 64 4.818 -13.332 1.679 1.00 0.00 C ATOM 911 O ALA A 64 4.858 -14.034 2.690 1.00 0.00 O ATOM 912 CB ALA A 64 4.729 -14.343 -0.608 1.00 0.00 C ATOM 0 H ALA A 64 3.527 -12.200 -0.903 1.00 0.00 H new ATOM 0 HA ALA A 64 3.178 -14.421 0.864 1.00 0.00 H new ATOM 0 HB1 ALA A 64 5.256 -15.214 -0.219 1.00 0.00 H new ATOM 0 HB2 ALA A 64 4.063 -14.652 -1.413 1.00 0.00 H new ATOM 0 HB3 ALA A 64 5.452 -13.623 -0.991 1.00 0.00 H new ATOM 918 N LEU A 65 5.541 -12.227 1.536 1.00 0.00 N ATOM 919 CA LEU A 65 6.444 -11.764 2.584 1.00 0.00 C ATOM 920 C LEU A 65 5.681 -11.469 3.871 1.00 0.00 C ATOM 921 O LEU A 65 4.470 -11.681 3.949 1.00 0.00 O ATOM 922 CB LEU A 65 7.192 -10.512 2.123 1.00 0.00 C ATOM 923 CG LEU A 65 8.388 -10.746 1.200 1.00 0.00 C ATOM 924 CD1 LEU A 65 8.632 -9.527 0.323 1.00 0.00 C ATOM 925 CD2 LEU A 65 9.632 -11.078 2.012 1.00 0.00 C ATOM 0 H LEU A 65 5.520 -11.635 0.705 1.00 0.00 H new ATOM 0 HA LEU A 65 7.164 -12.557 2.785 1.00 0.00 H new ATOM 0 HB2 LEU A 65 6.485 -9.859 1.610 1.00 0.00 H new ATOM 0 HB3 LEU A 65 7.539 -9.975 3.006 1.00 0.00 H new ATOM 0 HG LEU A 65 8.163 -11.594 0.554 1.00 0.00 H new ATOM 0 HD11 LEU A 65 9.487 -9.712 -0.327 1.00 0.00 H new ATOM 0 HD12 LEU A 65 7.748 -9.334 -0.285 1.00 0.00 H new ATOM 0 HD13 LEU A 65 8.836 -8.661 0.953 1.00 0.00 H new ATOM 0 HD21 LEU A 65 10.473 -11.241 1.338 1.00 0.00 H new ATOM 0 HD22 LEU A 65 9.860 -10.250 2.683 1.00 0.00 H new ATOM 0 HD23 LEU A 65 9.455 -11.981 2.597 1.00 0.00 H new ATOM 937 N ASP A 66 6.395 -10.978 4.877 1.00 0.00 N ATOM 938 CA ASP A 66 5.784 -10.651 6.160 1.00 0.00 C ATOM 939 C ASP A 66 5.817 -9.146 6.410 1.00 0.00 C ATOM 940 O ASP A 66 6.387 -8.388 5.624 1.00 0.00 O ATOM 941 CB ASP A 66 6.503 -11.384 7.294 1.00 0.00 C ATOM 942 CG ASP A 66 6.051 -12.824 7.430 1.00 0.00 C ATOM 943 OD1 ASP A 66 4.851 -13.047 7.697 1.00 0.00 O ATOM 944 OD2 ASP A 66 6.896 -13.729 7.269 1.00 0.00 O ATOM 0 H ASP A 66 7.398 -10.797 4.829 1.00 0.00 H new ATOM 0 HA ASP A 66 4.743 -10.974 6.131 1.00 0.00 H new ATOM 0 HB2 ASP A 66 7.578 -11.359 7.115 1.00 0.00 H new ATOM 0 HB3 ASP A 66 6.324 -10.860 8.233 1.00 0.00 H new ATOM 949 N HIS A 67 5.201 -8.719 7.508 1.00 0.00 N ATOM 950 CA HIS A 67 5.160 -7.305 7.861 1.00 0.00 C ATOM 951 C HIS A 67 6.450 -6.604 7.447 1.00 0.00 C ATOM 952 O HIS A 67 6.424 -5.620 6.708 1.00 0.00 O ATOM 953 CB HIS A 67 4.934 -7.139 9.364 1.00 0.00 C ATOM 954 CG HIS A 67 5.029 -5.719 9.831 1.00 0.00 C ATOM 955 ND1 HIS A 67 4.041 -5.102 10.569 1.00 0.00 N ATOM 956 CD2 HIS A 67 6.003 -4.794 9.661 1.00 0.00 C ATOM 957 CE1 HIS A 67 4.403 -3.859 10.832 1.00 0.00 C ATOM 958 NE2 HIS A 67 5.590 -3.647 10.293 1.00 0.00 N ATOM 0 H HIS A 67 4.723 -9.332 8.168 1.00 0.00 H new ATOM 0 HA HIS A 67 4.330 -6.846 7.324 1.00 0.00 H new ATOM 0 HB2 HIS A 67 3.950 -7.532 9.621 1.00 0.00 H new ATOM 0 HB3 HIS A 67 5.668 -7.740 9.902 1.00 0.00 H new ATOM 0 HD2 HIS A 67 6.932 -4.932 9.128 1.00 0.00 H new ATOM 0 HE1 HIS A 67 3.826 -3.138 11.393 1.00 0.00 H new ATOM 0 HE2 HIS A 67 6.115 -2.773 10.339 1.00 0.00 H new ATOM 967 N ASP A 68 7.577 -7.116 7.930 1.00 0.00 N ATOM 968 CA ASP A 68 8.877 -6.539 7.610 1.00 0.00 C ATOM 969 C ASP A 68 9.159 -6.630 6.114 1.00 0.00 C ATOM 970 O ASP A 68 9.369 -5.617 5.448 1.00 0.00 O ATOM 971 CB ASP A 68 9.981 -7.251 8.394 1.00 0.00 C ATOM 972 CG ASP A 68 11.337 -7.128 7.726 1.00 0.00 C ATOM 973 OD1 ASP A 68 11.512 -7.701 6.630 1.00 0.00 O ATOM 974 OD2 ASP A 68 12.223 -6.459 8.299 1.00 0.00 O ATOM 0 H ASP A 68 7.616 -7.929 8.544 1.00 0.00 H new ATOM 0 HA ASP A 68 8.860 -5.487 7.894 1.00 0.00 H new ATOM 0 HB2 ASP A 68 10.035 -6.834 9.400 1.00 0.00 H new ATOM 0 HB3 ASP A 68 9.726 -8.305 8.500 1.00 0.00 H new ATOM 979 N GLY A 69 9.162 -7.852 5.590 1.00 0.00 N ATOM 980 CA GLY A 69 9.421 -8.053 4.176 1.00 0.00 C ATOM 981 C GLY A 69 8.709 -7.036 3.307 1.00 0.00 C ATOM 982 O GLY A 69 9.343 -6.316 2.535 1.00 0.00 O ATOM 0 H GLY A 69 8.990 -8.707 6.120 1.00 0.00 H new ATOM 0 HA2 GLY A 69 10.494 -7.994 3.994 1.00 0.00 H new ATOM 0 HA3 GLY A 69 9.104 -9.056 3.890 1.00 0.00 H new ATOM 986 N VAL A 70 7.386 -6.977 3.430 1.00 0.00 N ATOM 987 CA VAL A 70 6.587 -6.041 2.648 1.00 0.00 C ATOM 988 C VAL A 70 7.017 -4.601 2.907 1.00 0.00 C ATOM 989 O VAL A 70 7.570 -3.939 2.028 1.00 0.00 O ATOM 990 CB VAL A 70 5.087 -6.182 2.967 1.00 0.00 C ATOM 991 CG1 VAL A 70 4.260 -5.299 2.044 1.00 0.00 C ATOM 992 CG2 VAL A 70 4.654 -7.636 2.856 1.00 0.00 C ATOM 0 H VAL A 70 6.846 -7.566 4.063 1.00 0.00 H new ATOM 0 HA VAL A 70 6.753 -6.283 1.598 1.00 0.00 H new ATOM 0 HB VAL A 70 4.918 -5.854 3.993 1.00 0.00 H new ATOM 0 HG11 VAL A 70 3.203 -5.412 2.284 1.00 0.00 H new ATOM 0 HG12 VAL A 70 4.554 -4.258 2.177 1.00 0.00 H new ATOM 0 HG13 VAL A 70 4.431 -5.594 1.009 1.00 0.00 H new ATOM 0 HG21 VAL A 70 3.591 -7.718 3.085 1.00 0.00 H new ATOM 0 HG22 VAL A 70 4.836 -7.993 1.842 1.00 0.00 H new ATOM 0 HG23 VAL A 70 5.224 -8.240 3.561 1.00 0.00 H new ATOM 1002 N VAL A 71 6.761 -4.122 4.120 1.00 0.00 N ATOM 1003 CA VAL A 71 7.123 -2.760 4.496 1.00 0.00 C ATOM 1004 C VAL A 71 8.529 -2.414 4.020 1.00 0.00 C ATOM 1005 O VAL A 71 8.853 -1.246 3.808 1.00 0.00 O ATOM 1006 CB VAL A 71 7.045 -2.560 6.021 1.00 0.00 C ATOM 1007 CG1 VAL A 71 7.720 -1.258 6.424 1.00 0.00 C ATOM 1008 CG2 VAL A 71 5.597 -2.586 6.488 1.00 0.00 C ATOM 0 H VAL A 71 6.304 -4.656 4.859 1.00 0.00 H new ATOM 0 HA VAL A 71 6.406 -2.097 4.013 1.00 0.00 H new ATOM 0 HB VAL A 71 7.574 -3.381 6.505 1.00 0.00 H new ATOM 0 HG11 VAL A 71 7.655 -1.134 7.505 1.00 0.00 H new ATOM 0 HG12 VAL A 71 8.768 -1.283 6.124 1.00 0.00 H new ATOM 0 HG13 VAL A 71 7.222 -0.422 5.932 1.00 0.00 H new ATOM 0 HG21 VAL A 71 5.560 -2.443 7.568 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.042 -1.786 5.997 1.00 0.00 H new ATOM 0 HG23 VAL A 71 5.150 -3.547 6.234 1.00 0.00 H new ATOM 1018 N GLU A 72 9.360 -3.438 3.854 1.00 0.00 N ATOM 1019 CA GLU A 72 10.733 -3.241 3.403 1.00 0.00 C ATOM 1020 C GLU A 72 10.767 -2.782 1.948 1.00 0.00 C ATOM 1021 O GLU A 72 11.431 -1.802 1.611 1.00 0.00 O ATOM 1022 CB GLU A 72 11.536 -4.535 3.561 1.00 0.00 C ATOM 1023 CG GLU A 72 13.039 -4.333 3.471 1.00 0.00 C ATOM 1024 CD GLU A 72 13.817 -5.408 4.205 1.00 0.00 C ATOM 1025 OE1 GLU A 72 13.251 -6.016 5.138 1.00 0.00 O ATOM 1026 OE2 GLU A 72 14.990 -5.641 3.847 1.00 0.00 O ATOM 0 H GLU A 72 9.107 -4.411 4.025 1.00 0.00 H new ATOM 0 HA GLU A 72 11.184 -2.465 4.021 1.00 0.00 H new ATOM 0 HB2 GLU A 72 11.296 -4.987 4.523 1.00 0.00 H new ATOM 0 HB3 GLU A 72 11.226 -5.241 2.791 1.00 0.00 H new ATOM 0 HG2 GLU A 72 13.339 -4.324 2.423 1.00 0.00 H new ATOM 0 HG3 GLU A 72 13.296 -3.358 3.884 1.00 0.00 H new ATOM 1033 N MET A 73 10.048 -3.499 1.091 1.00 0.00 N ATOM 1034 CA MET A 73 9.995 -3.165 -0.328 1.00 0.00 C ATOM 1035 C MET A 73 9.786 -1.667 -0.526 1.00 0.00 C ATOM 1036 O MET A 73 10.447 -1.044 -1.357 1.00 0.00 O ATOM 1037 CB MET A 73 8.873 -3.945 -1.016 1.00 0.00 C ATOM 1038 CG MET A 73 9.035 -5.453 -0.922 1.00 0.00 C ATOM 1039 SD MET A 73 10.251 -6.095 -2.090 1.00 0.00 S ATOM 1040 CE MET A 73 9.200 -7.050 -3.181 1.00 0.00 C ATOM 0 H MET A 73 9.494 -4.314 1.354 1.00 0.00 H new ATOM 0 HA MET A 73 10.948 -3.443 -0.777 1.00 0.00 H new ATOM 0 HB2 MET A 73 7.919 -3.662 -0.571 1.00 0.00 H new ATOM 0 HB3 MET A 73 8.833 -3.657 -2.066 1.00 0.00 H new ATOM 0 HG2 MET A 73 9.334 -5.720 0.092 1.00 0.00 H new ATOM 0 HG3 MET A 73 8.073 -5.930 -1.106 1.00 0.00 H new ATOM 0 HE1 MET A 73 9.767 -7.348 -4.063 1.00 0.00 H new ATOM 0 HE2 MET A 73 8.846 -7.939 -2.659 1.00 0.00 H new ATOM 0 HE3 MET A 73 8.346 -6.445 -3.486 1.00 0.00 H new ATOM 1050 N ILE A 74 8.863 -1.097 0.240 1.00 0.00 N ATOM 1051 CA ILE A 74 8.568 0.328 0.148 1.00 0.00 C ATOM 1052 C ILE A 74 9.800 1.166 0.468 1.00 0.00 C ATOM 1053 O ILE A 74 10.061 2.178 -0.183 1.00 0.00 O ATOM 1054 CB ILE A 74 7.426 0.729 1.101 1.00 0.00 C ATOM 1055 CG1 ILE A 74 6.115 0.069 0.668 1.00 0.00 C ATOM 1056 CG2 ILE A 74 7.276 2.242 1.139 1.00 0.00 C ATOM 1057 CD1 ILE A 74 5.167 -0.202 1.815 1.00 0.00 C ATOM 0 H ILE A 74 8.306 -1.599 0.931 1.00 0.00 H new ATOM 0 HA ILE A 74 8.258 0.520 -0.879 1.00 0.00 H new ATOM 0 HB ILE A 74 7.671 0.382 2.105 1.00 0.00 H new ATOM 0 HG12 ILE A 74 5.618 0.710 -0.060 1.00 0.00 H new ATOM 0 HG13 ILE A 74 6.340 -0.871 0.164 1.00 0.00 H new ATOM 0 HG21 ILE A 74 6.465 2.510 1.816 1.00 0.00 H new ATOM 0 HG22 ILE A 74 8.205 2.691 1.489 1.00 0.00 H new ATOM 0 HG23 ILE A 74 7.050 2.610 0.138 1.00 0.00 H new ATOM 0 HD11 ILE A 74 4.259 -0.670 1.434 1.00 0.00 H new ATOM 0 HD12 ILE A 74 5.645 -0.868 2.533 1.00 0.00 H new ATOM 0 HD13 ILE A 74 4.912 0.737 2.306 1.00 0.00 H new ATOM 1069 N ARG A 75 10.556 0.737 1.473 1.00 0.00 N ATOM 1070 CA ARG A 75 11.763 1.448 1.879 1.00 0.00 C ATOM 1071 C ARG A 75 12.778 1.491 0.741 1.00 0.00 C ATOM 1072 O ARG A 75 13.450 2.501 0.531 1.00 0.00 O ATOM 1073 CB ARG A 75 12.385 0.780 3.107 1.00 0.00 C ATOM 1074 CG ARG A 75 11.827 1.290 4.426 1.00 0.00 C ATOM 1075 CD ARG A 75 12.649 0.796 5.606 1.00 0.00 C ATOM 1076 NE ARG A 75 13.976 1.405 5.643 1.00 0.00 N ATOM 1077 CZ ARG A 75 14.991 0.914 6.344 1.00 0.00 C ATOM 1078 NH1 ARG A 75 14.832 -0.189 7.063 1.00 0.00 N ATOM 1079 NH2 ARG A 75 16.169 1.525 6.327 1.00 0.00 N ATOM 0 H ARG A 75 10.354 -0.099 2.021 1.00 0.00 H new ATOM 0 HA ARG A 75 11.484 2.471 2.132 1.00 0.00 H new ATOM 0 HB2 ARG A 75 12.223 -0.296 3.046 1.00 0.00 H new ATOM 0 HB3 ARG A 75 13.463 0.942 3.091 1.00 0.00 H new ATOM 0 HG2 ARG A 75 11.815 2.380 4.420 1.00 0.00 H new ATOM 0 HG3 ARG A 75 10.794 0.960 4.537 1.00 0.00 H new ATOM 0 HD2 ARG A 75 12.122 1.019 6.534 1.00 0.00 H new ATOM 0 HD3 ARG A 75 12.749 -0.288 5.549 1.00 0.00 H new ATOM 0 HE ARG A 75 14.132 2.255 5.100 1.00 0.00 H new ATOM 0 HH11 ARG A 75 13.928 -0.662 7.078 1.00 0.00 H new ATOM 0 HH12 ARG A 75 15.613 -0.564 7.601 1.00 0.00 H new ATOM 0 HH21 ARG A 75 16.296 2.373 5.775 1.00 0.00 H new ATOM 0 HH22 ARG A 75 16.948 1.146 6.866 1.00 0.00 H new ATOM 1093 N LYS A 76 12.884 0.387 0.008 1.00 0.00 N ATOM 1094 CA LYS A 76 13.816 0.297 -1.109 1.00 0.00 C ATOM 1095 C LYS A 76 13.296 1.073 -2.315 1.00 0.00 C ATOM 1096 O LYS A 76 14.072 1.652 -3.074 1.00 0.00 O ATOM 1097 CB LYS A 76 14.047 -1.167 -1.492 1.00 0.00 C ATOM 1098 CG LYS A 76 14.475 -2.040 -0.325 1.00 0.00 C ATOM 1099 CD LYS A 76 15.351 -3.193 -0.784 1.00 0.00 C ATOM 1100 CE LYS A 76 15.601 -4.186 0.341 1.00 0.00 C ATOM 1101 NZ LYS A 76 15.825 -5.564 -0.175 1.00 0.00 N ATOM 0 H LYS A 76 12.335 -0.458 0.168 1.00 0.00 H new ATOM 0 HA LYS A 76 14.763 0.737 -0.796 1.00 0.00 H new ATOM 0 HB2 LYS A 76 13.130 -1.571 -1.920 1.00 0.00 H new ATOM 0 HB3 LYS A 76 14.809 -1.215 -2.269 1.00 0.00 H new ATOM 0 HG2 LYS A 76 15.018 -1.436 0.402 1.00 0.00 H new ATOM 0 HG3 LYS A 76 13.592 -2.431 0.181 1.00 0.00 H new ATOM 0 HD2 LYS A 76 14.874 -3.703 -1.621 1.00 0.00 H new ATOM 0 HD3 LYS A 76 16.303 -2.806 -1.147 1.00 0.00 H new ATOM 0 HE2 LYS A 76 16.469 -3.869 0.919 1.00 0.00 H new ATOM 0 HE3 LYS A 76 14.749 -4.187 1.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 15.992 -6.210 0.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 14.987 -5.877 -0.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 16.654 -5.569 -0.804 1.00 0.00 H new ATOM 1115 N GLY A 77 11.977 1.080 -2.485 1.00 0.00 N ATOM 1116 CA GLY A 77 11.377 1.789 -3.599 1.00 0.00 C ATOM 1117 C GLY A 77 11.883 3.213 -3.722 1.00 0.00 C ATOM 1118 O GLY A 77 11.975 3.754 -4.823 1.00 0.00 O ATOM 0 H GLY A 77 11.314 0.607 -1.871 1.00 0.00 H new ATOM 0 HA2 GLY A 77 11.587 1.251 -4.523 1.00 0.00 H new ATOM 0 HA3 GLY A 77 10.294 1.801 -3.477 1.00 0.00 H new ATOM 1122 N GLY A 78 12.210 3.823 -2.586 1.00 0.00 N ATOM 1123 CA GLY A 78 12.703 5.187 -2.593 1.00 0.00 C ATOM 1124 C GLY A 78 11.662 6.183 -2.122 1.00 0.00 C ATOM 1125 O GLY A 78 10.660 5.803 -1.515 1.00 0.00 O ATOM 0 H GLY A 78 12.142 3.396 -1.662 1.00 0.00 H new ATOM 0 HA2 GLY A 78 13.582 5.255 -1.953 1.00 0.00 H new ATOM 0 HA3 GLY A 78 13.022 5.449 -3.602 1.00 0.00 H new ATOM 1129 N ASP A 79 11.898 7.460 -2.400 1.00 0.00 N ATOM 1130 CA ASP A 79 10.972 8.514 -2.001 1.00 0.00 C ATOM 1131 C ASP A 79 9.541 8.157 -2.391 1.00 0.00 C ATOM 1132 O ASP A 79 8.617 8.299 -1.592 1.00 0.00 O ATOM 1133 CB ASP A 79 11.372 9.844 -2.642 1.00 0.00 C ATOM 1134 CG ASP A 79 12.647 10.411 -2.049 1.00 0.00 C ATOM 1135 OD1 ASP A 79 12.775 10.412 -0.807 1.00 0.00 O ATOM 1136 OD2 ASP A 79 13.517 10.855 -2.828 1.00 0.00 O ATOM 0 H ASP A 79 12.723 7.791 -2.900 1.00 0.00 H new ATOM 0 HA ASP A 79 11.020 8.614 -0.917 1.00 0.00 H new ATOM 0 HB2 ASP A 79 11.505 9.702 -3.714 1.00 0.00 H new ATOM 0 HB3 ASP A 79 10.563 10.564 -2.514 1.00 0.00 H new ATOM 1141 N GLN A 80 9.368 7.694 -3.625 1.00 0.00 N ATOM 1142 CA GLN A 80 8.049 7.319 -4.122 1.00 0.00 C ATOM 1143 C GLN A 80 7.994 5.831 -4.450 1.00 0.00 C ATOM 1144 O GLN A 80 9.020 5.205 -4.722 1.00 0.00 O ATOM 1145 CB GLN A 80 7.696 8.140 -5.363 1.00 0.00 C ATOM 1146 CG GLN A 80 8.525 7.782 -6.586 1.00 0.00 C ATOM 1147 CD GLN A 80 8.190 8.641 -7.790 1.00 0.00 C ATOM 1148 OE1 GLN A 80 8.123 9.867 -7.693 1.00 0.00 O ATOM 1149 NE2 GLN A 80 7.976 8.000 -8.933 1.00 0.00 N ATOM 0 H GLN A 80 10.124 7.570 -4.298 1.00 0.00 H new ATOM 0 HA GLN A 80 7.321 7.527 -3.338 1.00 0.00 H new ATOM 0 HB2 GLN A 80 6.641 7.997 -5.595 1.00 0.00 H new ATOM 0 HB3 GLN A 80 7.832 9.198 -5.139 1.00 0.00 H new ATOM 0 HG2 GLN A 80 9.583 7.893 -6.348 1.00 0.00 H new ATOM 0 HG3 GLN A 80 8.363 6.734 -6.836 1.00 0.00 H new ATOM 0 HE21 GLN A 80 8.042 6.983 -8.967 1.00 0.00 H new ATOM 0 HE22 GLN A 80 7.746 8.525 -9.777 1.00 0.00 H new ATOM 1158 N THR A 81 6.790 5.268 -4.422 1.00 0.00 N ATOM 1159 CA THR A 81 6.601 3.852 -4.715 1.00 0.00 C ATOM 1160 C THR A 81 5.182 3.575 -5.198 1.00 0.00 C ATOM 1161 O THR A 81 4.256 4.332 -4.904 1.00 0.00 O ATOM 1162 CB THR A 81 6.891 2.980 -3.479 1.00 0.00 C ATOM 1163 OG1 THR A 81 6.593 1.609 -3.767 1.00 0.00 O ATOM 1164 CG2 THR A 81 6.069 3.442 -2.286 1.00 0.00 C ATOM 0 H THR A 81 5.931 5.771 -4.199 1.00 0.00 H new ATOM 0 HA THR A 81 7.307 3.595 -5.505 1.00 0.00 H new ATOM 0 HB THR A 81 7.948 3.078 -3.232 1.00 0.00 H new ATOM 0 HG1 THR A 81 6.814 1.416 -4.702 1.00 0.00 H new ATOM 0 HG21 THR A 81 6.291 2.811 -1.425 1.00 0.00 H new ATOM 0 HG22 THR A 81 6.318 4.477 -2.051 1.00 0.00 H new ATOM 0 HG23 THR A 81 5.008 3.370 -2.525 1.00 0.00 H new ATOM 1172 N THR A 82 5.017 2.485 -5.941 1.00 0.00 N ATOM 1173 CA THR A 82 3.710 2.109 -6.465 1.00 0.00 C ATOM 1174 C THR A 82 3.124 0.935 -5.689 1.00 0.00 C ATOM 1175 O THR A 82 3.802 -0.066 -5.451 1.00 0.00 O ATOM 1176 CB THR A 82 3.790 1.735 -7.957 1.00 0.00 C ATOM 1177 OG1 THR A 82 4.395 2.801 -8.698 1.00 0.00 O ATOM 1178 CG2 THR A 82 2.406 1.444 -8.517 1.00 0.00 C ATOM 0 H THR A 82 5.772 1.847 -6.193 1.00 0.00 H new ATOM 0 HA THR A 82 3.061 2.977 -6.350 1.00 0.00 H new ATOM 0 HB THR A 82 4.399 0.836 -8.051 1.00 0.00 H new ATOM 0 HG1 THR A 82 4.444 2.554 -9.645 1.00 0.00 H new ATOM 0 HG21 THR A 82 2.488 1.182 -9.572 1.00 0.00 H new ATOM 0 HG22 THR A 82 1.960 0.613 -7.971 1.00 0.00 H new ATOM 0 HG23 THR A 82 1.777 2.328 -8.410 1.00 0.00 H new ATOM 1186 N LEU A 83 1.861 1.062 -5.297 1.00 0.00 N ATOM 1187 CA LEU A 83 1.183 0.010 -4.548 1.00 0.00 C ATOM 1188 C LEU A 83 0.010 -0.555 -5.343 1.00 0.00 C ATOM 1189 O LEU A 83 -0.532 0.110 -6.227 1.00 0.00 O ATOM 1190 CB LEU A 83 0.691 0.550 -3.204 1.00 0.00 C ATOM 1191 CG LEU A 83 1.520 1.678 -2.590 1.00 0.00 C ATOM 1192 CD1 LEU A 83 1.075 1.951 -1.161 1.00 0.00 C ATOM 1193 CD2 LEU A 83 3.002 1.334 -2.632 1.00 0.00 C ATOM 0 H LEU A 83 1.286 1.883 -5.485 1.00 0.00 H new ATOM 0 HA LEU A 83 1.897 -0.794 -4.370 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -0.332 0.905 -3.330 1.00 0.00 H new ATOM 0 HB3 LEU A 83 0.656 -0.276 -2.494 1.00 0.00 H new ATOM 0 HG LEU A 83 1.360 2.582 -3.178 1.00 0.00 H new ATOM 0 HD11 LEU A 83 1.676 2.757 -0.740 1.00 0.00 H new ATOM 0 HD12 LEU A 83 0.024 2.242 -1.156 1.00 0.00 H new ATOM 0 HD13 LEU A 83 1.205 1.050 -0.561 1.00 0.00 H new ATOM 0 HD21 LEU A 83 3.577 2.148 -2.191 1.00 0.00 H new ATOM 0 HD22 LEU A 83 3.179 0.418 -2.069 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.313 1.189 -3.667 1.00 0.00 H new ATOM 1205 N LEU A 84 -0.379 -1.784 -5.022 1.00 0.00 N ATOM 1206 CA LEU A 84 -1.490 -2.438 -5.704 1.00 0.00 C ATOM 1207 C LEU A 84 -2.453 -3.063 -4.700 1.00 0.00 C ATOM 1208 O LEU A 84 -2.163 -4.105 -4.112 1.00 0.00 O ATOM 1209 CB LEU A 84 -0.967 -3.509 -6.662 1.00 0.00 C ATOM 1210 CG LEU A 84 -2.023 -4.407 -7.307 1.00 0.00 C ATOM 1211 CD1 LEU A 84 -2.989 -3.580 -8.141 1.00 0.00 C ATOM 1212 CD2 LEU A 84 -1.363 -5.480 -8.159 1.00 0.00 C ATOM 0 H LEU A 84 0.059 -2.348 -4.293 1.00 0.00 H new ATOM 0 HA LEU A 84 -2.030 -1.682 -6.275 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -0.405 -3.015 -7.455 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -0.264 -4.141 -6.119 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.588 -4.898 -6.515 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -3.733 -4.236 -8.592 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -3.487 -2.850 -7.503 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -2.439 -3.061 -8.926 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -2.130 -6.109 -8.610 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -0.772 -5.009 -8.945 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -0.713 -6.092 -7.534 1.00 0.00 H new ATOM 1224 N VAL A 85 -3.601 -2.421 -4.510 1.00 0.00 N ATOM 1225 CA VAL A 85 -4.609 -2.916 -3.579 1.00 0.00 C ATOM 1226 C VAL A 85 -5.839 -3.426 -4.322 1.00 0.00 C ATOM 1227 O VAL A 85 -6.140 -2.977 -5.429 1.00 0.00 O ATOM 1228 CB VAL A 85 -5.040 -1.822 -2.585 1.00 0.00 C ATOM 1229 CG1 VAL A 85 -3.879 -1.432 -1.683 1.00 0.00 C ATOM 1230 CG2 VAL A 85 -5.579 -0.609 -3.328 1.00 0.00 C ATOM 0 H VAL A 85 -3.857 -1.557 -4.988 1.00 0.00 H new ATOM 0 HA VAL A 85 -4.154 -3.739 -3.027 1.00 0.00 H new ATOM 0 HB VAL A 85 -5.838 -2.220 -1.958 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -4.203 -0.658 -0.987 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -3.544 -2.305 -1.124 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -3.057 -1.053 -2.291 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -5.879 0.154 -2.610 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -4.804 -0.208 -3.981 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -6.441 -0.903 -3.927 1.00 0.00 H new ATOM 1240 N LEU A 86 -6.547 -4.366 -3.706 1.00 0.00 N ATOM 1241 CA LEU A 86 -7.747 -4.938 -4.309 1.00 0.00 C ATOM 1242 C LEU A 86 -9.001 -4.242 -3.790 1.00 0.00 C ATOM 1243 O LEU A 86 -9.089 -3.897 -2.612 1.00 0.00 O ATOM 1244 CB LEU A 86 -7.823 -6.438 -4.015 1.00 0.00 C ATOM 1245 CG LEU A 86 -7.156 -7.357 -5.039 1.00 0.00 C ATOM 1246 CD1 LEU A 86 -7.962 -7.395 -6.328 1.00 0.00 C ATOM 1247 CD2 LEU A 86 -5.729 -6.903 -5.313 1.00 0.00 C ATOM 0 H LEU A 86 -6.312 -4.748 -2.790 1.00 0.00 H new ATOM 0 HA LEU A 86 -7.690 -4.788 -5.387 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -7.368 -6.621 -3.042 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -8.873 -6.719 -3.934 1.00 0.00 H new ATOM 0 HG LEU A 86 -7.123 -8.365 -4.626 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -7.472 -8.054 -7.044 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -8.965 -7.768 -6.119 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -8.028 -6.390 -6.746 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -5.270 -7.568 -6.044 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -5.740 -5.886 -5.704 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -5.155 -6.929 -4.387 1.00 0.00 H new