USER MOD reduce.3.24.130724 H: found=0, std=0, add=592, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 593 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 Single : A 5 SER OG : rot 180:sc= -0.019 USER MOD Single : A 15 TYR OH : rot -133:sc= 0.461 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 19:sc= 0.00101 USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 CYS SG : rot 105:sc= -2.51! USER MOD Single : A 28 SER OG : rot 180:sc= -0.145 USER MOD Single : A 29 CYS SG : rot 180:sc= -0.0199 USER MOD Single : A 31 MET CE :methyl -140:sc= 0 (180deg=-0.0607) USER MOD Single : A 34 SER OG : rot -120:sc=0.000749 USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 ASN :FLIP amide:sc= 0.893 F(o=0.18,f=0.89) USER MOD Single : A 54 ASN : amide:sc= -0.0766 K(o=-0.077,f=-2.3!) USER MOD Single : A 56 LYS NZ :NH3+ 141:sc= -0.814 (180deg=-1.87!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0.0389 USER MOD Single : A 60 HIS : no HD1:sc= -0.837 K(o=-0.84,f=-1.6) USER MOD Single : A 65 LYS NZ :NH3+ -140:sc= -0.714 (180deg=-3.09!) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 CYS SG : rot -164:sc= 1.06 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 75 HIS :FLIP no HD1:sc= -0.129 F(o=-1,f=-0.13) USER MOD Single : A 76 MET CE :methyl -159:sc= -0.276 (180deg=-1.06) USER MOD ----------------------------------------------------------------- ATOM 41 N VAL A 3 0.035 -1.314 -14.156 1.00 0.00 N ATOM 42 CA VAL A 3 0.432 -1.202 -12.751 1.00 0.00 C ATOM 43 C VAL A 3 1.400 -0.035 -12.536 1.00 0.00 C ATOM 44 O VAL A 3 2.180 0.308 -13.429 1.00 0.00 O ATOM 45 CB VAL A 3 1.094 -2.505 -12.251 1.00 0.00 C ATOM 46 CG1 VAL A 3 1.307 -2.458 -10.744 1.00 0.00 C ATOM 47 CG2 VAL A 3 0.260 -3.721 -12.638 1.00 0.00 C ATOM 0 HA VAL A 3 -0.478 -1.020 -12.180 1.00 0.00 H new ATOM 0 HB VAL A 3 2.068 -2.594 -12.731 1.00 0.00 H new ATOM 0 HG11 VAL A 3 1.774 -3.386 -10.413 1.00 0.00 H new ATOM 0 HG12 VAL A 3 1.954 -1.617 -10.494 1.00 0.00 H new ATOM 0 HG13 VAL A 3 0.346 -2.338 -10.244 1.00 0.00 H new ATOM 0 HG21 VAL A 3 0.747 -4.626 -12.275 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -0.732 -3.639 -12.193 1.00 0.00 H new ATOM 0 HG23 VAL A 3 0.168 -3.769 -13.723 1.00 0.00 H new ATOM 57 N ARG A 4 1.342 0.573 -11.347 1.00 0.00 N ATOM 58 CA ARG A 4 2.211 1.704 -11.011 1.00 0.00 C ATOM 59 C ARG A 4 2.676 1.646 -9.552 1.00 0.00 C ATOM 60 O ARG A 4 2.147 0.875 -8.750 1.00 0.00 O ATOM 61 CB ARG A 4 1.476 3.022 -11.269 1.00 0.00 C ATOM 62 CG ARG A 4 0.265 3.236 -10.369 1.00 0.00 C ATOM 63 CD ARG A 4 -1.041 2.993 -11.112 1.00 0.00 C ATOM 64 NE ARG A 4 -1.963 4.120 -10.977 1.00 0.00 N ATOM 65 CZ ARG A 4 -1.845 5.269 -11.651 1.00 0.00 C ATOM 66 NH1 ARG A 4 -0.849 5.445 -12.517 1.00 0.00 N ATOM 67 NH2 ARG A 4 -2.725 6.245 -11.455 1.00 0.00 N ATOM 0 H ARG A 4 0.702 0.300 -10.601 1.00 0.00 H new ATOM 0 HA ARG A 4 3.094 1.645 -11.647 1.00 0.00 H new ATOM 0 HB2 ARG A 4 2.172 3.849 -11.129 1.00 0.00 H new ATOM 0 HB3 ARG A 4 1.153 3.050 -12.310 1.00 0.00 H new ATOM 0 HG2 ARG A 4 0.326 2.565 -9.512 1.00 0.00 H new ATOM 0 HG3 ARG A 4 0.277 4.254 -9.979 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -0.831 2.820 -12.168 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -1.514 2.089 -10.729 1.00 0.00 H new ATOM 0 HE ARG A 4 -2.744 4.024 -10.329 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -0.169 4.700 -12.670 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -0.766 6.324 -13.027 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -3.489 6.117 -10.791 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -2.637 7.122 -11.968 1.00 0.00 H new ATOM 81 N SER A 5 3.669 2.476 -9.217 1.00 0.00 N ATOM 82 CA SER A 5 4.208 2.531 -7.858 1.00 0.00 C ATOM 83 C SER A 5 3.685 3.758 -7.113 1.00 0.00 C ATOM 84 O SER A 5 3.661 4.862 -7.661 1.00 0.00 O ATOM 85 CB SER A 5 5.741 2.562 -7.885 1.00 0.00 C ATOM 86 OG SER A 5 6.262 1.481 -8.639 1.00 0.00 O ATOM 0 H SER A 5 4.115 3.119 -9.871 1.00 0.00 H new ATOM 0 HA SER A 5 3.878 1.634 -7.334 1.00 0.00 H new ATOM 0 HB2 SER A 5 6.081 3.505 -8.313 1.00 0.00 H new ATOM 0 HB3 SER A 5 6.126 2.517 -6.866 1.00 0.00 H new ATOM 0 HG SER A 5 7.241 1.526 -8.641 1.00 0.00 H new ATOM 92 N VAL A 6 3.272 3.557 -5.861 1.00 0.00 N ATOM 93 CA VAL A 6 2.755 4.644 -5.034 1.00 0.00 C ATOM 94 C VAL A 6 3.659 4.895 -3.826 1.00 0.00 C ATOM 95 O VAL A 6 4.044 3.958 -3.122 1.00 0.00 O ATOM 96 CB VAL A 6 1.320 4.348 -4.539 1.00 0.00 C ATOM 97 CG1 VAL A 6 0.732 5.557 -3.820 1.00 0.00 C ATOM 98 CG2 VAL A 6 0.427 3.929 -5.698 1.00 0.00 C ATOM 0 H VAL A 6 3.286 2.648 -5.398 1.00 0.00 H new ATOM 0 HA VAL A 6 2.735 5.535 -5.662 1.00 0.00 H new ATOM 0 HB VAL A 6 1.372 3.523 -3.829 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -0.277 5.324 -3.482 1.00 0.00 H new ATOM 0 HG12 VAL A 6 1.354 5.807 -2.961 1.00 0.00 H new ATOM 0 HG13 VAL A 6 0.698 6.406 -4.503 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -0.578 3.725 -5.328 1.00 0.00 H new ATOM 0 HG22 VAL A 6 0.387 4.731 -6.435 1.00 0.00 H new ATOM 0 HG23 VAL A 6 0.832 3.030 -6.162 1.00 0.00 H new ATOM 108 N GLU A 7 3.995 6.166 -3.596 1.00 0.00 N ATOM 109 CA GLU A 7 4.855 6.547 -2.477 1.00 0.00 C ATOM 110 C GLU A 7 4.083 7.367 -1.444 1.00 0.00 C ATOM 111 O GLU A 7 3.552 8.434 -1.760 1.00 0.00 O ATOM 112 CB GLU A 7 6.060 7.341 -2.987 1.00 0.00 C ATOM 113 CG GLU A 7 7.162 6.472 -3.573 1.00 0.00 C ATOM 114 CD GLU A 7 7.168 6.470 -5.089 1.00 0.00 C ATOM 115 OE1 GLU A 7 7.457 7.532 -5.684 1.00 0.00 O ATOM 116 OE2 GLU A 7 6.888 5.407 -5.683 1.00 0.00 O ATOM 0 H GLU A 7 3.684 6.949 -4.171 1.00 0.00 H new ATOM 0 HA GLU A 7 5.206 5.636 -1.992 1.00 0.00 H new ATOM 0 HB2 GLU A 7 5.724 8.047 -3.747 1.00 0.00 H new ATOM 0 HB3 GLU A 7 6.471 7.928 -2.166 1.00 0.00 H new ATOM 0 HG2 GLU A 7 8.128 6.825 -3.211 1.00 0.00 H new ATOM 0 HG3 GLU A 7 7.042 5.450 -3.214 1.00 0.00 H new ATOM 123 N VAL A 8 4.026 6.863 -0.211 1.00 0.00 N ATOM 124 CA VAL A 8 3.318 7.549 0.869 1.00 0.00 C ATOM 125 C VAL A 8 4.298 8.213 1.838 1.00 0.00 C ATOM 126 O VAL A 8 5.284 7.602 2.249 1.00 0.00 O ATOM 127 CB VAL A 8 2.408 6.575 1.656 1.00 0.00 C ATOM 128 CG1 VAL A 8 1.475 7.342 2.585 1.00 0.00 C ATOM 129 CG2 VAL A 8 1.612 5.690 0.704 1.00 0.00 C ATOM 0 H VAL A 8 4.461 5.983 0.064 1.00 0.00 H new ATOM 0 HA VAL A 8 2.698 8.316 0.404 1.00 0.00 H new ATOM 0 HB VAL A 8 3.044 5.933 2.265 1.00 0.00 H new ATOM 0 HG11 VAL A 8 0.844 6.639 3.129 1.00 0.00 H new ATOM 0 HG12 VAL A 8 2.065 7.924 3.294 1.00 0.00 H new ATOM 0 HG13 VAL A 8 0.848 8.013 1.998 1.00 0.00 H new ATOM 0 HG21 VAL A 8 0.980 5.014 1.279 1.00 0.00 H new ATOM 0 HG22 VAL A 8 0.988 6.313 0.063 1.00 0.00 H new ATOM 0 HG23 VAL A 8 2.298 5.109 0.088 1.00 0.00 H new ATOM 139 N ALA A 9 4.016 9.467 2.199 1.00 0.00 N ATOM 140 CA ALA A 9 4.860 10.223 3.117 1.00 0.00 C ATOM 141 C ALA A 9 4.233 10.294 4.504 1.00 0.00 C ATOM 142 O ALA A 9 3.350 11.115 4.758 1.00 0.00 O ATOM 143 CB ALA A 9 5.105 11.625 2.575 1.00 0.00 C ATOM 0 H ALA A 9 3.201 9.981 1.864 1.00 0.00 H new ATOM 0 HA ALA A 9 5.816 9.706 3.204 1.00 0.00 H new ATOM 0 HB1 ALA A 9 5.736 12.179 3.270 1.00 0.00 H new ATOM 0 HB2 ALA A 9 5.602 11.559 1.607 1.00 0.00 H new ATOM 0 HB3 ALA A 9 4.152 12.142 2.460 1.00 0.00 H new ATOM 149 N ARG A 10 4.698 9.423 5.396 1.00 0.00 N ATOM 150 CA ARG A 10 4.195 9.365 6.771 1.00 0.00 C ATOM 151 C ARG A 10 4.159 10.758 7.409 1.00 0.00 C ATOM 152 O ARG A 10 5.175 11.453 7.461 1.00 0.00 O ATOM 153 CB ARG A 10 5.062 8.431 7.623 1.00 0.00 C ATOM 154 CG ARG A 10 4.311 7.808 8.791 1.00 0.00 C ATOM 155 CD ARG A 10 5.248 7.036 9.711 1.00 0.00 C ATOM 156 NE ARG A 10 5.773 7.875 10.789 1.00 0.00 N ATOM 157 CZ ARG A 10 5.095 8.182 11.899 1.00 0.00 C ATOM 158 NH1 ARG A 10 3.856 7.725 12.086 1.00 0.00 N ATOM 159 NH2 ARG A 10 5.655 8.951 12.827 1.00 0.00 N ATOM 0 H ARG A 10 5.429 8.741 5.191 1.00 0.00 H new ATOM 0 HA ARG A 10 3.178 8.975 6.732 1.00 0.00 H new ATOM 0 HB2 ARG A 10 5.458 7.637 6.990 1.00 0.00 H new ATOM 0 HB3 ARG A 10 5.916 8.989 8.006 1.00 0.00 H new ATOM 0 HG2 ARG A 10 3.806 8.590 9.358 1.00 0.00 H new ATOM 0 HG3 ARG A 10 3.538 7.139 8.412 1.00 0.00 H new ATOM 0 HD2 ARG A 10 4.716 6.186 10.139 1.00 0.00 H new ATOM 0 HD3 ARG A 10 6.077 6.633 9.129 1.00 0.00 H new ATOM 0 HE ARG A 10 6.716 8.249 10.687 1.00 0.00 H new ATOM 0 HH11 ARG A 10 3.418 7.136 11.378 1.00 0.00 H new ATOM 0 HH12 ARG A 10 3.347 7.965 12.937 1.00 0.00 H new ATOM 0 HH21 ARG A 10 6.601 9.306 12.692 1.00 0.00 H new ATOM 0 HH22 ARG A 10 5.138 9.186 13.675 1.00 0.00 H new ATOM 173 N GLY A 11 2.979 11.150 7.886 1.00 0.00 N ATOM 174 CA GLY A 11 2.815 12.452 8.512 1.00 0.00 C ATOM 175 C GLY A 11 1.355 12.800 8.750 1.00 0.00 C ATOM 176 O GLY A 11 0.574 12.886 7.799 1.00 0.00 O ATOM 0 H GLY A 11 2.130 10.586 7.850 1.00 0.00 H new ATOM 0 HA2 GLY A 11 3.348 12.465 9.462 1.00 0.00 H new ATOM 0 HA3 GLY A 11 3.270 13.216 7.881 1.00 0.00 H new ATOM 180 N ARG A 12 0.990 12.983 10.023 1.00 0.00 N ATOM 181 CA ARG A 12 -0.381 13.306 10.416 1.00 0.00 C ATOM 182 C ARG A 12 -1.246 12.055 10.399 1.00 0.00 C ATOM 183 O ARG A 12 -1.850 11.704 9.380 1.00 0.00 O ATOM 184 CB ARG A 12 -1.004 14.383 9.531 1.00 0.00 C ATOM 185 CG ARG A 12 -0.102 15.582 9.273 1.00 0.00 C ATOM 186 CD ARG A 12 -0.305 16.136 7.869 1.00 0.00 C ATOM 187 NE ARG A 12 0.946 16.611 7.276 1.00 0.00 N ATOM 188 CZ ARG A 12 1.010 17.440 6.233 1.00 0.00 C ATOM 189 NH1 ARG A 12 -0.102 17.898 5.663 1.00 0.00 N ATOM 190 NH2 ARG A 12 2.191 17.815 5.755 1.00 0.00 N ATOM 0 H ARG A 12 1.638 12.911 10.808 1.00 0.00 H new ATOM 0 HA ARG A 12 -0.335 13.705 11.429 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -1.278 13.937 8.575 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -1.926 14.731 9.997 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -0.310 16.361 10.007 1.00 0.00 H new ATOM 0 HG3 ARG A 12 0.940 15.291 9.404 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -0.735 15.362 7.234 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -1.023 16.956 7.904 1.00 0.00 H new ATOM 0 HE ARG A 12 1.823 16.288 7.685 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -1.013 17.615 6.023 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -0.043 18.532 4.866 1.00 0.00 H new ATOM 0 HH21 ARG A 12 3.049 17.469 6.185 1.00 0.00 H new ATOM 0 HH22 ARG A 12 2.240 18.449 4.957 1.00 0.00 H new ATOM 204 N ALA A 13 -1.278 11.394 11.543 1.00 0.00 N ATOM 205 CA ALA A 13 -2.048 10.159 11.731 1.00 0.00 C ATOM 206 C ALA A 13 -1.418 8.981 10.976 1.00 0.00 C ATOM 207 O ALA A 13 -2.126 8.098 10.485 1.00 0.00 O ATOM 208 CB ALA A 13 -3.497 10.360 11.303 1.00 0.00 C ATOM 0 H ALA A 13 -0.771 11.693 12.376 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.030 9.916 12.793 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.052 9.433 11.450 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.947 11.151 11.903 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -3.530 10.639 10.250 1.00 0.00 H new ATOM 214 N GLY A 14 -0.083 8.966 10.894 1.00 0.00 N ATOM 215 CA GLY A 14 0.610 7.888 10.207 1.00 0.00 C ATOM 216 C GLY A 14 0.665 8.087 8.704 1.00 0.00 C ATOM 217 O GLY A 14 1.328 9.005 8.220 1.00 0.00 O ATOM 0 H GLY A 14 0.526 9.681 11.291 1.00 0.00 H new ATOM 0 HA2 GLY A 14 1.625 7.809 10.596 1.00 0.00 H new ATOM 0 HA3 GLY A 14 0.111 6.944 10.426 1.00 0.00 H new ATOM 221 N TYR A 15 -0.028 7.219 7.966 1.00 0.00 N ATOM 222 CA TYR A 15 -0.052 7.292 6.506 1.00 0.00 C ATOM 223 C TYR A 15 -1.429 7.720 5.997 1.00 0.00 C ATOM 224 O TYR A 15 -1.577 8.808 5.439 1.00 0.00 O ATOM 225 CB TYR A 15 0.349 5.941 5.902 1.00 0.00 C ATOM 226 CG TYR A 15 1.723 5.466 6.331 1.00 0.00 C ATOM 227 CD1 TYR A 15 2.876 6.052 5.822 1.00 0.00 C ATOM 228 CD2 TYR A 15 1.865 4.432 7.250 1.00 0.00 C ATOM 229 CE1 TYR A 15 4.130 5.621 6.214 1.00 0.00 C ATOM 230 CE2 TYR A 15 3.115 3.997 7.648 1.00 0.00 C ATOM 231 CZ TYR A 15 4.245 4.592 7.127 1.00 0.00 C ATOM 232 OH TYR A 15 5.491 4.161 7.524 1.00 0.00 O ATOM 0 H TYR A 15 -0.581 6.456 8.357 1.00 0.00 H new ATOM 0 HA TYR A 15 0.669 8.046 6.191 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -0.390 5.192 6.187 1.00 0.00 H new ATOM 0 HB3 TYR A 15 0.323 6.017 4.815 1.00 0.00 H new ATOM 0 HD1 TYR A 15 2.791 6.858 5.108 1.00 0.00 H new ATOM 0 HD2 TYR A 15 0.984 3.961 7.660 1.00 0.00 H new ATOM 0 HE1 TYR A 15 5.015 6.087 5.808 1.00 0.00 H new ATOM 0 HE2 TYR A 15 3.207 3.194 8.364 1.00 0.00 H new ATOM 0 HH TYR A 15 5.525 3.182 7.488 1.00 0.00 H new ATOM 242 N GLY A 16 -2.431 6.868 6.202 1.00 0.00 N ATOM 243 CA GLY A 16 -3.785 7.187 5.768 1.00 0.00 C ATOM 244 C GLY A 16 -4.375 6.152 4.830 1.00 0.00 C ATOM 245 O GLY A 16 -4.719 6.464 3.689 1.00 0.00 O ATOM 0 H GLY A 16 -2.331 5.962 6.661 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -4.427 7.281 6.644 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -3.780 8.157 5.271 1.00 0.00 H new ATOM 249 N PHE A 17 -4.505 4.920 5.314 1.00 0.00 N ATOM 250 CA PHE A 17 -5.072 3.832 4.516 1.00 0.00 C ATOM 251 C PHE A 17 -5.418 2.626 5.392 1.00 0.00 C ATOM 252 O PHE A 17 -5.011 2.558 6.555 1.00 0.00 O ATOM 253 CB PHE A 17 -4.098 3.416 3.404 1.00 0.00 C ATOM 254 CG PHE A 17 -2.847 2.755 3.912 1.00 0.00 C ATOM 255 CD1 PHE A 17 -1.790 3.514 4.390 1.00 0.00 C ATOM 256 CD2 PHE A 17 -2.732 1.373 3.918 1.00 0.00 C ATOM 257 CE1 PHE A 17 -0.644 2.907 4.863 1.00 0.00 C ATOM 258 CE2 PHE A 17 -1.585 0.762 4.389 1.00 0.00 C ATOM 259 CZ PHE A 17 -0.539 1.530 4.864 1.00 0.00 C ATOM 0 H PHE A 17 -4.225 4.648 6.256 1.00 0.00 H new ATOM 0 HA PHE A 17 -5.992 4.197 4.061 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -4.608 2.734 2.723 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -3.823 4.298 2.825 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -1.864 4.591 4.392 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -3.547 0.768 3.551 1.00 0.00 H new ATOM 0 HE1 PHE A 17 0.172 3.510 5.233 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -1.506 -0.315 4.386 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.357 1.055 5.235 1.00 0.00 H new ATOM 269 N THR A 18 -6.167 1.677 4.827 1.00 0.00 N ATOM 270 CA THR A 18 -6.567 0.473 5.555 1.00 0.00 C ATOM 271 C THR A 18 -6.051 -0.788 4.856 1.00 0.00 C ATOM 272 O THR A 18 -5.881 -0.805 3.634 1.00 0.00 O ATOM 273 CB THR A 18 -8.095 0.410 5.691 1.00 0.00 C ATOM 274 OG1 THR A 18 -8.628 1.685 6.008 1.00 0.00 O ATOM 275 CG2 THR A 18 -8.565 -0.559 6.757 1.00 0.00 C ATOM 0 H THR A 18 -6.509 1.720 3.867 1.00 0.00 H new ATOM 0 HA THR A 18 -6.125 0.521 6.550 1.00 0.00 H new ATOM 0 HB THR A 18 -8.452 0.062 4.722 1.00 0.00 H new ATOM 0 HG1 THR A 18 -9.603 1.621 6.088 1.00 0.00 H new ATOM 0 HG21 THR A 18 -9.654 -0.553 6.799 1.00 0.00 H new ATOM 0 HG22 THR A 18 -8.217 -1.563 6.515 1.00 0.00 H new ATOM 0 HG23 THR A 18 -8.163 -0.259 7.725 1.00 0.00 H new ATOM 283 N LEU A 19 -5.802 -1.840 5.640 1.00 0.00 N ATOM 284 CA LEU A 19 -5.303 -3.104 5.101 1.00 0.00 C ATOM 285 C LEU A 19 -6.007 -4.299 5.742 1.00 0.00 C ATOM 286 O LEU A 19 -6.004 -4.449 6.966 1.00 0.00 O ATOM 287 CB LEU A 19 -3.792 -3.220 5.328 1.00 0.00 C ATOM 288 CG LEU A 19 -2.950 -3.410 4.062 1.00 0.00 C ATOM 289 CD1 LEU A 19 -1.472 -3.488 4.419 1.00 0.00 C ATOM 290 CD2 LEU A 19 -3.382 -4.661 3.309 1.00 0.00 C ATOM 0 H LEU A 19 -5.939 -1.840 6.651 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.513 -3.112 4.031 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.449 -2.321 5.841 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.606 -4.060 5.997 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.108 -2.550 3.412 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.885 -3.623 3.511 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.168 -2.566 4.914 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.303 -4.331 5.089 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.771 -4.776 2.414 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.255 -5.534 3.950 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.430 -4.570 3.024 1.00 0.00 H new ATOM 302 N SER A 20 -6.599 -5.149 4.904 1.00 0.00 N ATOM 303 CA SER A 20 -7.303 -6.342 5.381 1.00 0.00 C ATOM 304 C SER A 20 -7.052 -7.556 4.480 1.00 0.00 C ATOM 305 O SER A 20 -7.773 -8.555 4.555 1.00 0.00 O ATOM 306 CB SER A 20 -8.802 -6.074 5.461 1.00 0.00 C ATOM 307 OG SER A 20 -9.141 -5.376 6.650 1.00 0.00 O ATOM 0 H SER A 20 -6.606 -5.035 3.890 1.00 0.00 H new ATOM 0 HA SER A 20 -6.913 -6.570 6.373 1.00 0.00 H new ATOM 0 HB2 SER A 20 -9.116 -5.493 4.594 1.00 0.00 H new ATOM 0 HB3 SER A 20 -9.344 -7.019 5.425 1.00 0.00 H new ATOM 0 HG SER A 20 -8.339 -4.952 7.020 1.00 0.00 H new ATOM 313 N GLY A 21 -6.031 -7.464 3.639 1.00 0.00 N ATOM 314 CA GLY A 21 -5.700 -8.552 2.742 1.00 0.00 C ATOM 315 C GLY A 21 -4.801 -9.585 3.393 1.00 0.00 C ATOM 316 O GLY A 21 -3.579 -9.528 3.241 1.00 0.00 O ATOM 0 H GLY A 21 -5.422 -6.649 3.562 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -6.618 -9.034 2.405 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -5.207 -8.152 1.856 1.00 0.00 H new ATOM 320 N GLN A 22 -5.406 -10.527 4.121 1.00 0.00 N ATOM 321 CA GLN A 22 -4.655 -11.584 4.804 1.00 0.00 C ATOM 322 C GLN A 22 -3.578 -12.161 3.889 1.00 0.00 C ATOM 323 O GLN A 22 -2.384 -12.055 4.175 1.00 0.00 O ATOM 324 CB GLN A 22 -5.599 -12.695 5.276 1.00 0.00 C ATOM 325 CG GLN A 22 -5.235 -13.265 6.638 1.00 0.00 C ATOM 326 CD GLN A 22 -4.298 -14.454 6.541 1.00 0.00 C ATOM 327 OE1 GLN A 22 -4.728 -15.604 6.621 1.00 0.00 O ATOM 328 NE2 GLN A 22 -3.008 -14.186 6.367 1.00 0.00 N ATOM 0 H GLN A 22 -6.416 -10.579 4.253 1.00 0.00 H new ATOM 0 HA GLN A 22 -4.169 -11.145 5.675 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -6.616 -12.304 5.315 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -5.595 -13.500 4.541 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -4.767 -12.486 7.240 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -6.145 -13.566 7.157 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -2.692 -13.218 6.306 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -2.334 -14.948 6.295 1.00 0.00 H new ATOM 337 N ALA A 23 -4.012 -12.746 2.777 1.00 0.00 N ATOM 338 CA ALA A 23 -3.095 -13.313 1.797 1.00 0.00 C ATOM 339 C ALA A 23 -2.801 -12.284 0.703 1.00 0.00 C ATOM 340 O ALA A 23 -1.660 -11.848 0.551 1.00 0.00 O ATOM 341 CB ALA A 23 -3.656 -14.601 1.207 1.00 0.00 C ATOM 0 H ALA A 23 -4.998 -12.839 2.532 1.00 0.00 H new ATOM 0 HA ALA A 23 -2.159 -13.564 2.296 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -2.953 -15.004 0.478 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -3.811 -15.329 2.003 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -4.607 -14.393 0.716 1.00 0.00 H new ATOM 347 N PRO A 24 -3.836 -11.862 -0.064 1.00 0.00 N ATOM 348 CA PRO A 24 -3.681 -10.867 -1.124 1.00 0.00 C ATOM 349 C PRO A 24 -3.788 -9.440 -0.587 1.00 0.00 C ATOM 350 O PRO A 24 -4.891 -8.912 -0.413 1.00 0.00 O ATOM 351 CB PRO A 24 -4.850 -11.185 -2.052 1.00 0.00 C ATOM 352 CG PRO A 24 -5.926 -11.687 -1.147 1.00 0.00 C ATOM 353 CD PRO A 24 -5.243 -12.308 0.050 1.00 0.00 C ATOM 0 HA PRO A 24 -2.706 -10.913 -1.609 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -5.174 -10.300 -2.599 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -4.574 -11.935 -2.794 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -6.581 -10.872 -0.838 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -6.549 -12.420 -1.659 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -5.693 -11.972 0.984 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -5.319 -13.395 0.032 1.00 0.00 H new ATOM 361 N CYS A 25 -2.639 -8.821 -0.315 1.00 0.00 N ATOM 362 CA CYS A 25 -2.607 -7.457 0.211 1.00 0.00 C ATOM 363 C CYS A 25 -3.365 -6.509 -0.712 1.00 0.00 C ATOM 364 O CYS A 25 -3.083 -6.433 -1.907 1.00 0.00 O ATOM 365 CB CYS A 25 -1.163 -6.977 0.383 1.00 0.00 C ATOM 366 SG CYS A 25 -0.113 -8.106 1.327 1.00 0.00 S ATOM 0 H CYS A 25 -1.720 -9.242 -0.450 1.00 0.00 H new ATOM 0 HA CYS A 25 -3.092 -7.460 1.187 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -0.722 -6.827 -0.603 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -1.171 -6.006 0.879 1.00 0.00 H new ATOM 0 HG CYS A 25 0.679 -8.743 0.516 1.00 0.00 H new ATOM 372 N VAL A 26 -4.336 -5.796 -0.151 1.00 0.00 N ATOM 373 CA VAL A 26 -5.144 -4.859 -0.924 1.00 0.00 C ATOM 374 C VAL A 26 -5.628 -3.696 -0.060 1.00 0.00 C ATOM 375 O VAL A 26 -5.941 -3.872 1.119 1.00 0.00 O ATOM 376 CB VAL A 26 -6.354 -5.571 -1.569 1.00 0.00 C ATOM 377 CG1 VAL A 26 -7.268 -6.165 -0.508 1.00 0.00 C ATOM 378 CG2 VAL A 26 -7.123 -4.622 -2.478 1.00 0.00 C ATOM 0 H VAL A 26 -4.583 -5.849 0.837 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.507 -4.461 -1.714 1.00 0.00 H new ATOM 0 HB VAL A 26 -5.973 -6.389 -2.180 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -8.111 -6.660 -0.990 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.712 -6.891 0.086 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -7.636 -5.371 0.141 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.970 -5.147 -2.920 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -7.485 -3.774 -1.896 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -6.465 -4.264 -3.270 1.00 0.00 H new ATOM 388 N LEU A 27 -5.686 -2.507 -0.658 1.00 0.00 N ATOM 389 CA LEU A 27 -6.131 -1.310 0.053 1.00 0.00 C ATOM 390 C LEU A 27 -7.656 -1.259 0.110 1.00 0.00 C ATOM 391 O LEU A 27 -8.301 -0.714 -0.786 1.00 0.00 O ATOM 392 CB LEU A 27 -5.589 -0.046 -0.622 1.00 0.00 C ATOM 393 CG LEU A 27 -4.297 0.512 -0.015 1.00 0.00 C ATOM 394 CD1 LEU A 27 -3.095 0.107 -0.854 1.00 0.00 C ATOM 395 CD2 LEU A 27 -4.380 2.027 0.110 1.00 0.00 C ATOM 0 H LEU A 27 -5.431 -2.347 -1.632 1.00 0.00 H new ATOM 0 HA LEU A 27 -5.742 -1.355 1.070 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -5.413 -0.262 -1.676 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -6.356 0.727 -0.579 1.00 0.00 H new ATOM 0 HG LEU A 27 -4.174 0.091 0.983 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.187 0.512 -0.408 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -3.027 -0.980 -0.891 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.208 0.498 -1.865 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.455 2.408 0.543 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.527 2.466 -0.877 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.218 2.294 0.754 1.00 0.00 H new ATOM 407 N SER A 28 -8.227 -1.834 1.170 1.00 0.00 N ATOM 408 CA SER A 28 -9.681 -1.857 1.346 1.00 0.00 C ATOM 409 C SER A 28 -10.278 -0.451 1.259 1.00 0.00 C ATOM 410 O SER A 28 -11.357 -0.265 0.693 1.00 0.00 O ATOM 411 CB SER A 28 -10.046 -2.502 2.685 1.00 0.00 C ATOM 412 OG SER A 28 -9.208 -2.032 3.726 1.00 0.00 O ATOM 0 H SER A 28 -7.706 -2.290 1.919 1.00 0.00 H new ATOM 0 HA SER A 28 -10.103 -2.452 0.536 1.00 0.00 H new ATOM 0 HB2 SER A 28 -11.086 -2.283 2.925 1.00 0.00 H new ATOM 0 HB3 SER A 28 -9.958 -3.586 2.605 1.00 0.00 H new ATOM 0 HG SER A 28 -9.464 -2.459 4.570 1.00 0.00 H new ATOM 418 N CYS A 29 -9.571 0.533 1.815 1.00 0.00 N ATOM 419 CA CYS A 29 -10.034 1.919 1.792 1.00 0.00 C ATOM 420 C CYS A 29 -8.891 2.895 2.073 1.00 0.00 C ATOM 421 O CYS A 29 -7.916 2.550 2.744 1.00 0.00 O ATOM 422 CB CYS A 29 -11.154 2.125 2.814 1.00 0.00 C ATOM 423 SG CYS A 29 -12.145 3.611 2.537 1.00 0.00 S ATOM 0 H CYS A 29 -8.677 0.396 2.286 1.00 0.00 H new ATOM 0 HA CYS A 29 -10.417 2.121 0.792 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -11.811 1.255 2.797 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -10.716 2.174 3.811 1.00 0.00 H new ATOM 0 HG CYS A 29 -13.066 3.695 3.451 1.00 0.00 H new ATOM 429 N VAL A 30 -9.028 4.119 1.559 1.00 0.00 N ATOM 430 CA VAL A 30 -8.020 5.162 1.751 1.00 0.00 C ATOM 431 C VAL A 30 -8.601 6.330 2.552 1.00 0.00 C ATOM 432 O VAL A 30 -9.816 6.544 2.557 1.00 0.00 O ATOM 433 CB VAL A 30 -7.478 5.693 0.400 1.00 0.00 C ATOM 434 CG1 VAL A 30 -6.238 6.549 0.615 1.00 0.00 C ATOM 435 CG2 VAL A 30 -7.174 4.541 -0.552 1.00 0.00 C ATOM 0 H VAL A 30 -9.832 4.413 1.004 1.00 0.00 H new ATOM 0 HA VAL A 30 -7.195 4.711 2.302 1.00 0.00 H new ATOM 0 HB VAL A 30 -8.250 6.316 -0.052 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.875 6.911 -0.347 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -6.488 7.398 1.251 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -5.462 5.952 1.094 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.795 4.938 -1.494 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -6.424 3.888 -0.105 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -8.085 3.973 -0.738 1.00 0.00 H new ATOM 445 N MET A 31 -7.728 7.081 3.225 1.00 0.00 N ATOM 446 CA MET A 31 -8.153 8.222 4.022 1.00 0.00 C ATOM 447 C MET A 31 -7.983 9.517 3.244 1.00 0.00 C ATOM 448 O MET A 31 -6.882 10.063 3.144 1.00 0.00 O ATOM 449 CB MET A 31 -7.371 8.301 5.334 1.00 0.00 C ATOM 450 CG MET A 31 -7.419 7.024 6.160 1.00 0.00 C ATOM 451 SD MET A 31 -7.258 7.338 7.930 1.00 0.00 S ATOM 452 CE MET A 31 -8.895 7.955 8.314 1.00 0.00 C ATOM 0 H MET A 31 -6.722 6.915 3.231 1.00 0.00 H new ATOM 0 HA MET A 31 -9.209 8.084 4.255 1.00 0.00 H new ATOM 0 HB2 MET A 31 -6.331 8.539 5.111 1.00 0.00 H new ATOM 0 HB3 MET A 31 -7.765 9.123 5.931 1.00 0.00 H new ATOM 0 HG2 MET A 31 -8.360 6.508 5.970 1.00 0.00 H new ATOM 0 HG3 MET A 31 -6.619 6.357 5.839 1.00 0.00 H new ATOM 0 HE1 MET A 31 -8.816 8.783 9.018 1.00 0.00 H new ATOM 0 HE2 MET A 31 -9.377 8.301 7.400 1.00 0.00 H new ATOM 0 HE3 MET A 31 -9.490 7.157 8.758 1.00 0.00 H new ATOM 462 N ARG A 32 -9.090 9.996 2.700 1.00 0.00 N ATOM 463 CA ARG A 32 -9.112 11.233 1.920 1.00 0.00 C ATOM 464 C ARG A 32 -8.502 12.387 2.712 1.00 0.00 C ATOM 465 O ARG A 32 -8.928 12.680 3.831 1.00 0.00 O ATOM 466 CB ARG A 32 -10.547 11.578 1.513 1.00 0.00 C ATOM 467 CG ARG A 32 -10.937 11.038 0.146 1.00 0.00 C ATOM 468 CD ARG A 32 -12.445 10.915 0.002 1.00 0.00 C ATOM 469 NE ARG A 32 -12.894 9.524 0.079 1.00 0.00 N ATOM 470 CZ ARG A 32 -12.830 8.657 -0.937 1.00 0.00 C ATOM 471 NH1 ARG A 32 -12.317 9.026 -2.111 1.00 0.00 N ATOM 472 NH2 ARG A 32 -13.275 7.416 -0.778 1.00 0.00 N ATOM 0 H ARG A 32 -10.000 9.543 2.784 1.00 0.00 H new ATOM 0 HA ARG A 32 -8.515 11.078 1.022 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -11.234 11.181 2.261 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -10.666 12.661 1.514 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -10.549 11.698 -0.630 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -10.476 10.062 -0.005 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -12.932 11.497 0.785 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -12.754 11.343 -0.952 1.00 0.00 H new ATOM 0 HE ARG A 32 -13.280 9.195 0.964 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -11.969 9.976 -2.240 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -12.272 8.358 -2.881 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -13.665 7.125 0.118 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -13.227 6.754 -1.552 1.00 0.00 H new ATOM 486 N GLY A 33 -7.491 13.027 2.129 1.00 0.00 N ATOM 487 CA GLY A 33 -6.822 14.133 2.795 1.00 0.00 C ATOM 488 C GLY A 33 -5.417 13.774 3.252 1.00 0.00 C ATOM 489 O GLY A 33 -4.571 14.653 3.417 1.00 0.00 O ATOM 0 H GLY A 33 -7.122 12.799 1.206 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -6.773 14.985 2.117 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -7.412 14.445 3.657 1.00 0.00 H new ATOM 493 N SER A 34 -5.168 12.479 3.454 1.00 0.00 N ATOM 494 CA SER A 34 -3.860 12.004 3.887 1.00 0.00 C ATOM 495 C SER A 34 -2.913 11.870 2.689 1.00 0.00 C ATOM 496 O SER A 34 -3.350 11.907 1.537 1.00 0.00 O ATOM 497 CB SER A 34 -4.002 10.657 4.606 1.00 0.00 C ATOM 498 OG SER A 34 -3.939 10.817 6.015 1.00 0.00 O ATOM 0 H SER A 34 -5.860 11.741 3.323 1.00 0.00 H new ATOM 0 HA SER A 34 -3.437 12.731 4.580 1.00 0.00 H new ATOM 0 HB2 SER A 34 -4.950 10.194 4.332 1.00 0.00 H new ATOM 0 HB3 SER A 34 -3.211 9.982 4.278 1.00 0.00 H new ATOM 0 HG SER A 34 -3.187 10.298 6.370 1.00 0.00 H new ATOM 504 N PRO A 35 -1.596 11.710 2.947 1.00 0.00 N ATOM 505 CA PRO A 35 -0.578 11.567 1.890 1.00 0.00 C ATOM 506 C PRO A 35 -0.893 10.443 0.897 1.00 0.00 C ATOM 507 O PRO A 35 -0.420 10.469 -0.242 1.00 0.00 O ATOM 508 CB PRO A 35 0.714 11.251 2.659 1.00 0.00 C ATOM 509 CG PRO A 35 0.281 10.894 4.040 1.00 0.00 C ATOM 510 CD PRO A 35 -0.989 11.655 4.285 1.00 0.00 C ATOM 0 HA PRO A 35 -0.519 12.469 1.280 1.00 0.00 H new ATOM 0 HB2 PRO A 35 1.256 10.428 2.193 1.00 0.00 H new ATOM 0 HB3 PRO A 35 1.385 12.110 2.668 1.00 0.00 H new ATOM 0 HG2 PRO A 35 0.116 9.820 4.132 1.00 0.00 H new ATOM 0 HG3 PRO A 35 1.044 11.163 4.770 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -1.634 11.146 5.002 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -0.794 12.651 4.682 1.00 0.00 H new ATOM 518 N ALA A 36 -1.695 9.462 1.325 1.00 0.00 N ATOM 519 CA ALA A 36 -2.069 8.348 0.457 1.00 0.00 C ATOM 520 C ALA A 36 -2.879 8.843 -0.739 1.00 0.00 C ATOM 521 O ALA A 36 -2.591 8.495 -1.886 1.00 0.00 O ATOM 522 CB ALA A 36 -2.856 7.300 1.233 1.00 0.00 C ATOM 0 H ALA A 36 -2.094 9.419 2.263 1.00 0.00 H new ATOM 0 HA ALA A 36 -1.154 7.887 0.086 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -3.124 6.480 0.567 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -2.245 6.918 2.051 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -3.763 7.751 1.637 1.00 0.00 H new ATOM 528 N ASP A 37 -3.889 9.665 -0.459 1.00 0.00 N ATOM 529 CA ASP A 37 -4.747 10.226 -1.505 1.00 0.00 C ATOM 530 C ASP A 37 -3.976 11.220 -2.380 1.00 0.00 C ATOM 531 O ASP A 37 -4.317 11.413 -3.550 1.00 0.00 O ATOM 532 CB ASP A 37 -5.967 10.911 -0.881 1.00 0.00 C ATOM 533 CG ASP A 37 -7.102 11.092 -1.872 1.00 0.00 C ATOM 534 OD1 ASP A 37 -7.125 12.128 -2.567 1.00 0.00 O ATOM 535 OD2 ASP A 37 -7.970 10.196 -1.947 1.00 0.00 O ATOM 0 H ASP A 37 -4.135 9.959 0.486 1.00 0.00 H new ATOM 0 HA ASP A 37 -5.084 9.406 -2.139 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -6.318 10.320 -0.035 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -5.672 11.885 -0.489 1.00 0.00 H new ATOM 540 N PHE A 38 -2.940 11.847 -1.812 1.00 0.00 N ATOM 541 CA PHE A 38 -2.119 12.820 -2.541 1.00 0.00 C ATOM 542 C PHE A 38 -1.527 12.229 -3.826 1.00 0.00 C ATOM 543 O PHE A 38 -1.204 12.966 -4.758 1.00 0.00 O ATOM 544 CB PHE A 38 -0.988 13.335 -1.648 1.00 0.00 C ATOM 545 CG PHE A 38 -1.422 14.341 -0.612 1.00 0.00 C ATOM 546 CD1 PHE A 38 -2.733 14.382 -0.157 1.00 0.00 C ATOM 547 CD2 PHE A 38 -0.509 15.245 -0.091 1.00 0.00 C ATOM 548 CE1 PHE A 38 -3.121 15.304 0.794 1.00 0.00 C ATOM 549 CE2 PHE A 38 -0.894 16.167 0.862 1.00 0.00 C ATOM 550 CZ PHE A 38 -2.200 16.197 1.304 1.00 0.00 C ATOM 0 H PHE A 38 -2.649 11.697 -0.846 1.00 0.00 H new ATOM 0 HA PHE A 38 -2.774 13.645 -2.822 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -0.526 12.487 -1.142 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -0.222 13.787 -2.277 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -3.457 13.685 -0.552 1.00 0.00 H new ATOM 0 HD2 PHE A 38 0.515 15.228 -0.434 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -4.144 15.327 1.139 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -0.173 16.865 1.261 1.00 0.00 H new ATOM 0 HZ PHE A 38 -2.502 16.919 2.049 1.00 0.00 H new ATOM 560 N VAL A 39 -1.382 10.902 -3.874 1.00 0.00 N ATOM 561 CA VAL A 39 -0.825 10.232 -5.052 1.00 0.00 C ATOM 562 C VAL A 39 -1.927 9.877 -6.055 1.00 0.00 C ATOM 563 O VAL A 39 -1.681 9.818 -7.261 1.00 0.00 O ATOM 564 CB VAL A 39 -0.066 8.942 -4.668 1.00 0.00 C ATOM 565 CG1 VAL A 39 0.623 8.341 -5.887 1.00 0.00 C ATOM 566 CG2 VAL A 39 0.943 9.210 -3.557 1.00 0.00 C ATOM 0 H VAL A 39 -1.641 10.273 -3.114 1.00 0.00 H new ATOM 0 HA VAL A 39 -0.126 10.932 -5.509 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.794 8.222 -4.294 1.00 0.00 H new ATOM 0 HG11 VAL A 39 1.152 7.434 -5.596 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.123 8.099 -6.644 1.00 0.00 H new ATOM 0 HG13 VAL A 39 1.334 9.060 -6.295 1.00 0.00 H new ATOM 0 HG21 VAL A 39 1.463 8.285 -3.307 1.00 0.00 H new ATOM 0 HG22 VAL A 39 1.666 9.953 -3.894 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.423 9.584 -2.675 1.00 0.00 H new ATOM 576 N GLY A 40 -3.139 9.640 -5.550 1.00 0.00 N ATOM 577 CA GLY A 40 -4.254 9.297 -6.415 1.00 0.00 C ATOM 578 C GLY A 40 -4.545 7.808 -6.425 1.00 0.00 C ATOM 579 O GLY A 40 -4.776 7.224 -7.486 1.00 0.00 O ATOM 0 H GLY A 40 -3.366 9.680 -4.556 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -5.143 9.835 -6.087 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -4.037 9.628 -7.431 1.00 0.00 H new ATOM 583 N LEU A 41 -4.536 7.193 -5.243 1.00 0.00 N ATOM 584 CA LEU A 41 -4.803 5.768 -5.118 1.00 0.00 C ATOM 585 C LEU A 41 -6.291 5.477 -5.308 1.00 0.00 C ATOM 586 O LEU A 41 -7.100 6.393 -5.467 1.00 0.00 O ATOM 587 CB LEU A 41 -4.331 5.254 -3.754 1.00 0.00 C ATOM 588 CG LEU A 41 -3.435 4.013 -3.806 1.00 0.00 C ATOM 589 CD1 LEU A 41 -2.200 4.200 -2.936 1.00 0.00 C ATOM 590 CD2 LEU A 41 -4.210 2.772 -3.382 1.00 0.00 C ATOM 0 H LEU A 41 -4.346 7.664 -4.359 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.249 5.247 -5.899 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.790 6.054 -3.248 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -5.206 5.027 -3.145 1.00 0.00 H new ATOM 0 HG LEU A 41 -3.106 3.875 -4.836 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.579 3.306 -2.989 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.631 5.059 -3.292 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.505 4.370 -1.903 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -3.555 1.902 -3.426 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -4.574 2.901 -2.363 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -5.056 2.624 -4.053 1.00 0.00 H new ATOM 602 N ARG A 42 -6.641 4.194 -5.288 1.00 0.00 N ATOM 603 CA ARG A 42 -8.023 3.769 -5.456 1.00 0.00 C ATOM 604 C ARG A 42 -8.351 2.635 -4.495 1.00 0.00 C ATOM 605 O ARG A 42 -7.762 1.554 -4.575 1.00 0.00 O ATOM 606 CB ARG A 42 -8.271 3.311 -6.893 1.00 0.00 C ATOM 607 CG ARG A 42 -8.375 4.451 -7.894 1.00 0.00 C ATOM 608 CD ARG A 42 -7.685 4.105 -9.206 1.00 0.00 C ATOM 609 NE ARG A 42 -8.615 3.541 -10.182 1.00 0.00 N ATOM 610 CZ ARG A 42 -9.487 4.266 -10.892 1.00 0.00 C ATOM 611 NH1 ARG A 42 -9.554 5.589 -10.737 1.00 0.00 N ATOM 612 NH2 ARG A 42 -10.296 3.664 -11.759 1.00 0.00 N ATOM 0 H ARG A 42 -5.980 3.428 -5.156 1.00 0.00 H new ATOM 0 HA ARG A 42 -8.669 4.619 -5.237 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -7.462 2.646 -7.197 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -9.191 2.728 -6.924 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -9.425 4.677 -8.082 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -7.926 5.350 -7.471 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -7.224 5.002 -9.621 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -6.882 3.392 -9.016 1.00 0.00 H new ATOM 0 HE ARG A 42 -8.598 2.532 -10.331 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -8.937 6.057 -10.073 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -10.222 6.133 -11.283 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -10.251 2.652 -11.881 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -10.962 4.214 -12.302 1.00 0.00 H new ATOM 626 N ALA A 43 -9.291 2.893 -3.587 1.00 0.00 N ATOM 627 CA ALA A 43 -9.712 1.897 -2.600 1.00 0.00 C ATOM 628 C ALA A 43 -10.166 0.611 -3.287 1.00 0.00 C ATOM 629 O ALA A 43 -11.279 0.534 -3.810 1.00 0.00 O ATOM 630 CB ALA A 43 -10.827 2.455 -1.725 1.00 0.00 C ATOM 0 H ALA A 43 -9.778 3.786 -3.514 1.00 0.00 H new ATOM 0 HA ALA A 43 -8.857 1.661 -1.966 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -11.129 1.703 -0.996 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -10.470 3.343 -1.203 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -11.681 2.719 -2.349 1.00 0.00 H new ATOM 636 N GLY A 44 -9.286 -0.388 -3.295 1.00 0.00 N ATOM 637 CA GLY A 44 -9.591 -1.656 -3.935 1.00 0.00 C ATOM 638 C GLY A 44 -8.425 -2.185 -4.761 1.00 0.00 C ATOM 639 O GLY A 44 -8.351 -3.384 -5.036 1.00 0.00 O ATOM 0 H GLY A 44 -8.362 -0.340 -2.867 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -9.856 -2.390 -3.174 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -10.463 -1.535 -4.578 1.00 0.00 H new ATOM 643 N ASP A 45 -7.512 -1.287 -5.151 1.00 0.00 N ATOM 644 CA ASP A 45 -6.342 -1.657 -5.940 1.00 0.00 C ATOM 645 C ASP A 45 -5.505 -2.706 -5.210 1.00 0.00 C ATOM 646 O ASP A 45 -5.079 -2.490 -4.073 1.00 0.00 O ATOM 647 CB ASP A 45 -5.489 -0.415 -6.228 1.00 0.00 C ATOM 648 CG ASP A 45 -5.940 0.347 -7.464 1.00 0.00 C ATOM 649 OD1 ASP A 45 -7.151 0.328 -7.773 1.00 0.00 O ATOM 650 OD2 ASP A 45 -5.079 0.969 -8.120 1.00 0.00 O ATOM 0 H ASP A 45 -7.567 -0.293 -4.928 1.00 0.00 H new ATOM 0 HA ASP A 45 -6.685 -2.084 -6.882 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -5.525 0.251 -5.365 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -4.449 -0.717 -6.354 1.00 0.00 H new ATOM 655 N GLN A 46 -5.282 -3.844 -5.868 1.00 0.00 N ATOM 656 CA GLN A 46 -4.506 -4.931 -5.281 1.00 0.00 C ATOM 657 C GLN A 46 -3.045 -4.527 -5.099 1.00 0.00 C ATOM 658 O GLN A 46 -2.394 -4.066 -6.039 1.00 0.00 O ATOM 659 CB GLN A 46 -4.595 -6.194 -6.146 1.00 0.00 C ATOM 660 CG GLN A 46 -4.464 -7.485 -5.352 1.00 0.00 C ATOM 661 CD GLN A 46 -4.983 -8.693 -6.107 1.00 0.00 C ATOM 662 OE1 GLN A 46 -6.177 -8.986 -6.083 1.00 0.00 O ATOM 663 NE2 GLN A 46 -4.086 -9.404 -6.782 1.00 0.00 N ATOM 0 H GLN A 46 -5.629 -4.035 -6.808 1.00 0.00 H new ATOM 0 HA GLN A 46 -4.931 -5.146 -4.301 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -5.549 -6.197 -6.674 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -3.812 -6.162 -6.903 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -3.417 -7.644 -5.096 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -5.010 -7.386 -4.414 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -3.105 -9.126 -6.775 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -4.379 -10.228 -7.307 1.00 0.00 H new ATOM 672 N ILE A 47 -2.540 -4.709 -3.884 1.00 0.00 N ATOM 673 CA ILE A 47 -1.156 -4.373 -3.566 1.00 0.00 C ATOM 674 C ILE A 47 -0.227 -5.530 -3.925 1.00 0.00 C ATOM 675 O ILE A 47 -0.435 -6.664 -3.484 1.00 0.00 O ATOM 676 CB ILE A 47 -0.981 -4.030 -2.071 1.00 0.00 C ATOM 677 CG1 ILE A 47 -2.024 -3.001 -1.620 1.00 0.00 C ATOM 678 CG2 ILE A 47 0.426 -3.513 -1.807 1.00 0.00 C ATOM 679 CD1 ILE A 47 -2.222 -2.959 -0.119 1.00 0.00 C ATOM 0 H ILE A 47 -3.070 -5.089 -3.100 1.00 0.00 H new ATOM 0 HA ILE A 47 -0.896 -3.495 -4.157 1.00 0.00 H new ATOM 0 HB ILE A 47 -1.132 -4.941 -1.492 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.721 -2.013 -1.966 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -2.977 -3.228 -2.098 1.00 0.00 H new ATOM 0 HG21 ILE A 47 0.534 -3.276 -0.749 1.00 0.00 H new ATOM 0 HG22 ILE A 47 1.152 -4.277 -2.083 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.601 -2.615 -2.400 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -2.973 -2.209 0.128 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -2.555 -3.936 0.232 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -1.280 -2.702 0.365 1.00 0.00 H new ATOM 691 N LEU A 48 0.795 -5.242 -4.725 1.00 0.00 N ATOM 692 CA LEU A 48 1.753 -6.262 -5.141 1.00 0.00 C ATOM 693 C LEU A 48 3.013 -6.196 -4.283 1.00 0.00 C ATOM 694 O LEU A 48 3.263 -7.081 -3.465 1.00 0.00 O ATOM 695 CB LEU A 48 2.109 -6.093 -6.623 1.00 0.00 C ATOM 696 CG LEU A 48 0.981 -6.426 -7.605 1.00 0.00 C ATOM 697 CD1 LEU A 48 -0.131 -5.393 -7.516 1.00 0.00 C ATOM 698 CD2 LEU A 48 1.518 -6.512 -9.027 1.00 0.00 C ATOM 0 H LEU A 48 0.981 -4.311 -5.098 1.00 0.00 H new ATOM 0 HA LEU A 48 1.292 -7.240 -5.004 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.423 -5.063 -6.790 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.966 -6.728 -6.849 1.00 0.00 H new ATOM 0 HG LEU A 48 0.568 -7.397 -7.334 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -0.922 -5.648 -8.221 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -0.537 -5.381 -6.504 1.00 0.00 H new ATOM 0 HD13 LEU A 48 0.267 -4.408 -7.758 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.702 -6.749 -9.710 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.960 -5.556 -9.308 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.277 -7.293 -9.083 1.00 0.00 H new ATOM 710 N ALA A 49 3.794 -5.138 -4.474 1.00 0.00 N ATOM 711 CA ALA A 49 5.026 -4.941 -3.718 1.00 0.00 C ATOM 712 C ALA A 49 4.808 -3.952 -2.579 1.00 0.00 C ATOM 713 O ALA A 49 4.065 -2.981 -2.721 1.00 0.00 O ATOM 714 CB ALA A 49 6.141 -4.461 -4.635 1.00 0.00 C ATOM 0 H ALA A 49 3.594 -4.400 -5.149 1.00 0.00 H new ATOM 0 HA ALA A 49 5.320 -5.898 -3.287 1.00 0.00 H new ATOM 0 HB1 ALA A 49 7.053 -4.319 -4.055 1.00 0.00 H new ATOM 0 HB2 ALA A 49 6.317 -5.204 -5.413 1.00 0.00 H new ATOM 0 HB3 ALA A 49 5.852 -3.516 -5.095 1.00 0.00 H new ATOM 720 N VAL A 50 5.472 -4.203 -1.457 1.00 0.00 N ATOM 721 CA VAL A 50 5.379 -3.340 -0.284 1.00 0.00 C ATOM 722 C VAL A 50 6.769 -3.120 0.289 1.00 0.00 C ATOM 723 O VAL A 50 7.417 -4.065 0.741 1.00 0.00 O ATOM 724 CB VAL A 50 4.454 -3.928 0.806 1.00 0.00 C ATOM 725 CG1 VAL A 50 4.203 -2.906 1.906 1.00 0.00 C ATOM 726 CG2 VAL A 50 3.140 -4.395 0.193 1.00 0.00 C ATOM 0 H VAL A 50 6.088 -5.007 -1.334 1.00 0.00 H new ATOM 0 HA VAL A 50 4.944 -2.393 -0.603 1.00 0.00 H new ATOM 0 HB VAL A 50 4.950 -4.790 1.251 1.00 0.00 H new ATOM 0 HG11 VAL A 50 3.550 -3.340 2.663 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.151 -2.623 2.363 1.00 0.00 H new ATOM 0 HG13 VAL A 50 3.728 -2.022 1.480 1.00 0.00 H new ATOM 0 HG21 VAL A 50 2.500 -4.806 0.974 1.00 0.00 H new ATOM 0 HG22 VAL A 50 2.639 -3.550 -0.280 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.340 -5.163 -0.554 1.00 0.00 H new ATOM 736 N ASN A 51 7.238 -1.877 0.221 1.00 0.00 N ATOM 737 CA ASN A 51 8.573 -1.526 0.688 1.00 0.00 C ATOM 738 C ASN A 51 9.606 -1.995 -0.343 1.00 0.00 C ATOM 739 O ASN A 51 10.722 -2.381 0.006 1.00 0.00 O ATOM 740 CB ASN A 51 8.862 -2.133 2.070 1.00 0.00 C ATOM 741 CG ASN A 51 9.876 -1.322 2.860 1.00 0.00 C ATOM 742 OD1 ASN A 51 9.494 -0.884 4.056 1.00 0.00 O flip ATOM 743 ND2 ASN A 51 10.993 -1.088 2.403 1.00 0.00 N flip ATOM 0 H ASN A 51 6.707 -1.092 -0.156 1.00 0.00 H new ATOM 0 HA ASN A 51 8.635 -0.443 0.796 1.00 0.00 H new ATOM 0 HB2 ASN A 51 7.933 -2.198 2.636 1.00 0.00 H new ATOM 0 HB3 ASN A 51 9.232 -3.151 1.946 1.00 0.00 H new ATOM 0 HD21 ASN A 51 11.251 -1.441 1.481 1.00 0.00 H new ATOM 0 HD22 ASN A 51 11.662 -0.541 2.946 1.00 0.00 H new ATOM 750 N GLU A 52 9.197 -1.954 -1.621 1.00 0.00 N ATOM 751 CA GLU A 52 10.036 -2.354 -2.755 1.00 0.00 C ATOM 752 C GLU A 52 10.115 -3.879 -2.938 1.00 0.00 C ATOM 753 O GLU A 52 10.753 -4.355 -3.879 1.00 0.00 O ATOM 754 CB GLU A 52 11.443 -1.728 -2.647 1.00 0.00 C ATOM 755 CG GLU A 52 12.530 -2.662 -2.116 1.00 0.00 C ATOM 756 CD GLU A 52 13.895 -2.345 -2.696 1.00 0.00 C ATOM 757 OE1 GLU A 52 14.177 -2.786 -3.830 1.00 0.00 O ATOM 758 OE2 GLU A 52 14.682 -1.650 -2.019 1.00 0.00 O ATOM 0 H GLU A 52 8.266 -1.639 -1.895 1.00 0.00 H new ATOM 0 HA GLU A 52 9.553 -1.966 -3.652 1.00 0.00 H new ATOM 0 HB2 GLU A 52 11.742 -1.372 -3.633 1.00 0.00 H new ATOM 0 HB3 GLU A 52 11.386 -0.855 -1.997 1.00 0.00 H new ATOM 0 HG2 GLU A 52 12.573 -2.586 -1.030 1.00 0.00 H new ATOM 0 HG3 GLU A 52 12.268 -3.693 -2.353 1.00 0.00 H new ATOM 765 N ILE A 53 9.467 -4.644 -2.056 1.00 0.00 N ATOM 766 CA ILE A 53 9.487 -6.103 -2.157 1.00 0.00 C ATOM 767 C ILE A 53 8.095 -6.673 -2.432 1.00 0.00 C ATOM 768 O ILE A 53 7.118 -6.295 -1.782 1.00 0.00 O ATOM 769 CB ILE A 53 10.067 -6.758 -0.882 1.00 0.00 C ATOM 770 CG1 ILE A 53 9.285 -6.324 0.363 1.00 0.00 C ATOM 771 CG2 ILE A 53 11.540 -6.405 -0.732 1.00 0.00 C ATOM 772 CD1 ILE A 53 9.232 -7.384 1.441 1.00 0.00 C ATOM 0 H ILE A 53 8.927 -4.280 -1.271 1.00 0.00 H new ATOM 0 HA ILE A 53 10.136 -6.341 -3.000 1.00 0.00 H new ATOM 0 HB ILE A 53 9.972 -7.839 -0.981 1.00 0.00 H new ATOM 0 HG12 ILE A 53 9.741 -5.423 0.773 1.00 0.00 H new ATOM 0 HG13 ILE A 53 8.268 -6.063 0.071 1.00 0.00 H new ATOM 0 HG21 ILE A 53 11.936 -6.872 0.170 1.00 0.00 H new ATOM 0 HG22 ILE A 53 12.091 -6.766 -1.600 1.00 0.00 H new ATOM 0 HG23 ILE A 53 11.649 -5.323 -0.658 1.00 0.00 H new ATOM 0 HD11 ILE A 53 8.663 -7.009 2.292 1.00 0.00 H new ATOM 0 HD12 ILE A 53 8.749 -8.279 1.048 1.00 0.00 H new ATOM 0 HD13 ILE A 53 10.245 -7.629 1.761 1.00 0.00 H new ATOM 784 N ASN A 54 8.015 -7.586 -3.401 1.00 0.00 N ATOM 785 CA ASN A 54 6.751 -8.218 -3.775 1.00 0.00 C ATOM 786 C ASN A 54 6.224 -9.104 -2.649 1.00 0.00 C ATOM 787 O ASN A 54 6.948 -9.942 -2.112 1.00 0.00 O ATOM 788 CB ASN A 54 6.925 -9.050 -5.051 1.00 0.00 C ATOM 789 CG ASN A 54 5.622 -9.248 -5.808 1.00 0.00 C ATOM 790 OD1 ASN A 54 4.685 -8.458 -5.678 1.00 0.00 O ATOM 791 ND2 ASN A 54 5.554 -10.307 -6.609 1.00 0.00 N ATOM 0 H ASN A 54 8.817 -7.905 -3.944 1.00 0.00 H new ATOM 0 HA ASN A 54 6.025 -7.426 -3.960 1.00 0.00 H new ATOM 0 HB2 ASN A 54 7.648 -8.560 -5.703 1.00 0.00 H new ATOM 0 HB3 ASN A 54 7.340 -10.024 -4.791 1.00 0.00 H new ATOM 0 HD21 ASN A 54 4.704 -10.489 -7.143 1.00 0.00 H new ATOM 0 HD22 ASN A 54 6.352 -10.938 -6.689 1.00 0.00 H new ATOM 798 N VAL A 55 4.952 -8.913 -2.309 1.00 0.00 N ATOM 799 CA VAL A 55 4.307 -9.689 -1.253 1.00 0.00 C ATOM 800 C VAL A 55 2.895 -10.115 -1.670 1.00 0.00 C ATOM 801 O VAL A 55 1.906 -9.762 -1.024 1.00 0.00 O ATOM 802 CB VAL A 55 4.246 -8.898 0.074 1.00 0.00 C ATOM 803 CG1 VAL A 55 5.635 -8.759 0.686 1.00 0.00 C ATOM 804 CG2 VAL A 55 3.611 -7.530 -0.134 1.00 0.00 C ATOM 0 H VAL A 55 4.345 -8.224 -2.752 1.00 0.00 H new ATOM 0 HA VAL A 55 4.912 -10.581 -1.093 1.00 0.00 H new ATOM 0 HB VAL A 55 3.621 -9.458 0.769 1.00 0.00 H new ATOM 0 HG11 VAL A 55 5.567 -8.199 1.619 1.00 0.00 H new ATOM 0 HG12 VAL A 55 6.045 -9.749 0.886 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.287 -8.230 -0.008 1.00 0.00 H new ATOM 0 HG21 VAL A 55 3.581 -6.995 0.815 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.200 -6.961 -0.853 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.597 -7.654 -0.513 1.00 0.00 H new ATOM 814 N LYS A 56 2.822 -10.867 -2.770 1.00 0.00 N ATOM 815 CA LYS A 56 1.548 -11.352 -3.313 1.00 0.00 C ATOM 816 C LYS A 56 0.708 -12.061 -2.254 1.00 0.00 C ATOM 817 O LYS A 56 -0.299 -11.522 -1.792 1.00 0.00 O ATOM 818 CB LYS A 56 1.801 -12.287 -4.500 1.00 0.00 C ATOM 819 CG LYS A 56 1.835 -11.573 -5.842 1.00 0.00 C ATOM 820 CD LYS A 56 0.507 -11.698 -6.571 1.00 0.00 C ATOM 821 CE LYS A 56 0.555 -11.051 -7.946 1.00 0.00 C ATOM 822 NZ LYS A 56 -0.019 -9.677 -7.938 1.00 0.00 N ATOM 0 H LYS A 56 3.639 -11.157 -3.308 1.00 0.00 H new ATOM 0 HA LYS A 56 0.984 -10.483 -3.651 1.00 0.00 H new ATOM 0 HB2 LYS A 56 2.749 -12.804 -4.349 1.00 0.00 H new ATOM 0 HB3 LYS A 56 1.022 -13.049 -4.523 1.00 0.00 H new ATOM 0 HG2 LYS A 56 2.070 -10.520 -5.689 1.00 0.00 H new ATOM 0 HG3 LYS A 56 2.631 -11.991 -6.458 1.00 0.00 H new ATOM 0 HD2 LYS A 56 0.246 -12.751 -6.674 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -0.279 -11.232 -5.977 1.00 0.00 H new ATOM 0 HE2 LYS A 56 1.588 -11.010 -8.291 1.00 0.00 H new ATOM 0 HE3 LYS A 56 0.006 -11.669 -8.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 0.549 -9.060 -8.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -0.998 -9.708 -8.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -0.010 -9.303 -6.968 1.00 0.00 H new ATOM 836 N LYS A 57 1.130 -13.262 -1.871 1.00 0.00 N ATOM 837 CA LYS A 57 0.418 -14.040 -0.857 1.00 0.00 C ATOM 838 C LYS A 57 1.262 -14.147 0.420 1.00 0.00 C ATOM 839 O LYS A 57 1.310 -15.201 1.059 1.00 0.00 O ATOM 840 CB LYS A 57 0.079 -15.443 -1.382 1.00 0.00 C ATOM 841 CG LYS A 57 -0.598 -15.462 -2.747 1.00 0.00 C ATOM 842 CD LYS A 57 -0.753 -16.885 -3.269 1.00 0.00 C ATOM 843 CE LYS A 57 -1.993 -17.038 -4.139 1.00 0.00 C ATOM 844 NZ LYS A 57 -1.726 -17.866 -5.350 1.00 0.00 N ATOM 0 H LYS A 57 1.961 -13.720 -2.246 1.00 0.00 H new ATOM 0 HA LYS A 57 -0.514 -13.524 -0.625 1.00 0.00 H new ATOM 0 HB2 LYS A 57 0.997 -16.028 -1.438 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -0.571 -15.939 -0.661 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -1.578 -14.990 -2.676 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -0.012 -14.875 -3.454 1.00 0.00 H new ATOM 0 HD2 LYS A 57 0.131 -17.159 -3.845 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -0.812 -17.576 -2.428 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -2.791 -17.496 -3.555 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -2.346 -16.053 -4.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -2.596 -17.945 -5.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -0.982 -17.416 -5.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -1.414 -18.815 -5.060 1.00 0.00 H new ATOM 858 N ALA A 58 1.934 -13.048 0.779 1.00 0.00 N ATOM 859 CA ALA A 58 2.783 -13.013 1.963 1.00 0.00 C ATOM 860 C ALA A 58 1.954 -12.971 3.246 1.00 0.00 C ATOM 861 O ALA A 58 0.724 -13.046 3.209 1.00 0.00 O ATOM 862 CB ALA A 58 3.723 -11.816 1.895 1.00 0.00 C ATOM 0 H ALA A 58 1.903 -12.170 0.261 1.00 0.00 H new ATOM 0 HA ALA A 58 3.373 -13.929 1.983 1.00 0.00 H new ATOM 0 HB1 ALA A 58 4.354 -11.798 2.784 1.00 0.00 H new ATOM 0 HB2 ALA A 58 4.350 -11.896 1.007 1.00 0.00 H new ATOM 0 HB3 ALA A 58 3.139 -10.897 1.846 1.00 0.00 H new ATOM 868 N SER A 59 2.640 -12.852 4.383 1.00 0.00 N ATOM 869 CA SER A 59 1.975 -12.799 5.681 1.00 0.00 C ATOM 870 C SER A 59 1.614 -11.372 6.045 1.00 0.00 C ATOM 871 O SER A 59 2.417 -10.449 5.900 1.00 0.00 O ATOM 872 CB SER A 59 2.851 -13.409 6.778 1.00 0.00 C ATOM 873 OG SER A 59 4.097 -13.856 6.266 1.00 0.00 O ATOM 0 H SER A 59 3.657 -12.791 4.429 1.00 0.00 H new ATOM 0 HA SER A 59 1.060 -13.386 5.603 1.00 0.00 H new ATOM 0 HB2 SER A 59 3.023 -12.669 7.560 1.00 0.00 H new ATOM 0 HB3 SER A 59 2.326 -14.245 7.240 1.00 0.00 H new ATOM 0 HG SER A 59 4.631 -14.238 6.993 1.00 0.00 H new ATOM 879 N HIS A 60 0.390 -11.216 6.520 1.00 0.00 N ATOM 880 CA HIS A 60 -0.136 -9.922 6.922 1.00 0.00 C ATOM 881 C HIS A 60 0.791 -9.228 7.917 1.00 0.00 C ATOM 882 O HIS A 60 1.071 -8.036 7.786 1.00 0.00 O ATOM 883 CB HIS A 60 -1.525 -10.114 7.525 1.00 0.00 C ATOM 884 CG HIS A 60 -2.454 -8.968 7.274 1.00 0.00 C ATOM 885 ND1 HIS A 60 -3.817 -9.120 7.125 1.00 0.00 N ATOM 886 CD2 HIS A 60 -2.210 -7.641 7.152 1.00 0.00 C ATOM 887 CE1 HIS A 60 -4.369 -7.937 6.920 1.00 0.00 C ATOM 888 NE2 HIS A 60 -3.417 -7.023 6.932 1.00 0.00 N ATOM 0 H HIS A 60 -0.269 -11.985 6.638 1.00 0.00 H new ATOM 0 HA HIS A 60 -0.203 -9.281 6.043 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -1.966 -11.024 7.117 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -1.427 -10.262 8.600 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -1.246 -7.159 7.216 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -5.422 -7.750 6.768 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -3.555 -6.021 6.800 1.00 0.00 H new ATOM 897 N GLU A 61 1.268 -9.989 8.902 1.00 0.00 N ATOM 898 CA GLU A 61 2.176 -9.455 9.917 1.00 0.00 C ATOM 899 C GLU A 61 3.519 -9.064 9.305 1.00 0.00 C ATOM 900 O GLU A 61 4.133 -8.082 9.722 1.00 0.00 O ATOM 901 CB GLU A 61 2.388 -10.467 11.054 1.00 0.00 C ATOM 902 CG GLU A 61 2.748 -11.875 10.584 1.00 0.00 C ATOM 903 CD GLU A 61 1.623 -12.872 10.789 1.00 0.00 C ATOM 904 OE1 GLU A 61 0.516 -12.639 10.256 1.00 0.00 O ATOM 905 OE2 GLU A 61 1.850 -13.890 11.478 1.00 0.00 O ATOM 0 H GLU A 61 1.041 -10.977 9.019 1.00 0.00 H new ATOM 0 HA GLU A 61 1.713 -8.559 10.331 1.00 0.00 H new ATOM 0 HB2 GLU A 61 3.180 -10.101 11.707 1.00 0.00 H new ATOM 0 HB3 GLU A 61 1.479 -10.518 11.653 1.00 0.00 H new ATOM 0 HG2 GLU A 61 3.010 -11.843 9.527 1.00 0.00 H new ATOM 0 HG3 GLU A 61 3.632 -12.217 11.122 1.00 0.00 H new ATOM 912 N ASP A 62 3.964 -9.820 8.303 1.00 0.00 N ATOM 913 CA ASP A 62 5.225 -9.525 7.633 1.00 0.00 C ATOM 914 C ASP A 62 5.091 -8.273 6.773 1.00 0.00 C ATOM 915 O ASP A 62 6.004 -7.450 6.714 1.00 0.00 O ATOM 916 CB ASP A 62 5.684 -10.705 6.769 1.00 0.00 C ATOM 917 CG ASP A 62 7.167 -10.978 6.917 1.00 0.00 C ATOM 918 OD1 ASP A 62 7.961 -10.344 6.192 1.00 0.00 O ATOM 919 OD2 ASP A 62 7.535 -11.819 7.764 1.00 0.00 O ATOM 0 H ASP A 62 3.472 -10.636 7.940 1.00 0.00 H new ATOM 0 HA ASP A 62 5.977 -9.351 8.402 1.00 0.00 H new ATOM 0 HB2 ASP A 62 5.122 -11.597 7.047 1.00 0.00 H new ATOM 0 HB3 ASP A 62 5.457 -10.498 5.723 1.00 0.00 H new ATOM 924 N VAL A 63 3.942 -8.134 6.112 1.00 0.00 N ATOM 925 CA VAL A 63 3.686 -6.978 5.263 1.00 0.00 C ATOM 926 C VAL A 63 3.581 -5.702 6.098 1.00 0.00 C ATOM 927 O VAL A 63 4.150 -4.670 5.738 1.00 0.00 O ATOM 928 CB VAL A 63 2.406 -7.157 4.415 1.00 0.00 C ATOM 929 CG1 VAL A 63 2.221 -5.986 3.457 1.00 0.00 C ATOM 930 CG2 VAL A 63 2.445 -8.474 3.647 1.00 0.00 C ATOM 0 H VAL A 63 3.177 -8.808 6.150 1.00 0.00 H new ATOM 0 HA VAL A 63 4.532 -6.891 4.582 1.00 0.00 H new ATOM 0 HB VAL A 63 1.554 -7.181 5.094 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.314 -6.135 2.871 1.00 0.00 H new ATOM 0 HG12 VAL A 63 2.138 -5.060 4.026 1.00 0.00 H new ATOM 0 HG13 VAL A 63 3.079 -5.925 2.788 1.00 0.00 H new ATOM 0 HG21 VAL A 63 1.534 -8.578 3.057 1.00 0.00 H new ATOM 0 HG22 VAL A 63 3.310 -8.483 2.984 1.00 0.00 H new ATOM 0 HG23 VAL A 63 2.519 -9.303 4.350 1.00 0.00 H new ATOM 940 N VAL A 64 2.873 -5.782 7.229 1.00 0.00 N ATOM 941 CA VAL A 64 2.727 -4.645 8.116 1.00 0.00 C ATOM 942 C VAL A 64 4.073 -4.280 8.721 1.00 0.00 C ATOM 943 O VAL A 64 4.396 -3.102 8.873 1.00 0.00 O ATOM 944 CB VAL A 64 1.696 -4.904 9.238 1.00 0.00 C ATOM 945 CG1 VAL A 64 0.302 -5.078 8.658 1.00 0.00 C ATOM 946 CG2 VAL A 64 2.083 -6.106 10.083 1.00 0.00 C ATOM 0 H VAL A 64 2.395 -6.627 7.544 1.00 0.00 H new ATOM 0 HA VAL A 64 2.354 -3.813 7.518 1.00 0.00 H new ATOM 0 HB VAL A 64 1.691 -4.031 9.890 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -0.408 -5.259 9.465 1.00 0.00 H new ATOM 0 HG12 VAL A 64 0.016 -4.174 8.120 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.296 -5.926 7.973 1.00 0.00 H new ATOM 0 HG21 VAL A 64 1.336 -6.259 10.862 1.00 0.00 H new ATOM 0 HG22 VAL A 64 2.135 -6.993 9.452 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.056 -5.930 10.543 1.00 0.00 H new ATOM 956 N LYS A 65 4.862 -5.306 9.054 1.00 0.00 N ATOM 957 CA LYS A 65 6.177 -5.092 9.636 1.00 0.00 C ATOM 958 C LYS A 65 7.050 -4.246 8.712 1.00 0.00 C ATOM 959 O LYS A 65 7.791 -3.377 9.174 1.00 0.00 O ATOM 960 CB LYS A 65 6.873 -6.429 9.932 1.00 0.00 C ATOM 961 CG LYS A 65 6.620 -6.950 11.340 1.00 0.00 C ATOM 962 CD LYS A 65 7.575 -8.081 11.697 1.00 0.00 C ATOM 963 CE LYS A 65 6.901 -9.443 11.583 1.00 0.00 C ATOM 964 NZ LYS A 65 7.269 -10.152 10.323 1.00 0.00 N ATOM 0 H LYS A 65 4.609 -6.286 8.929 1.00 0.00 H new ATOM 0 HA LYS A 65 6.038 -4.556 10.575 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.533 -7.173 9.212 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.947 -6.310 9.785 1.00 0.00 H new ATOM 0 HG2 LYS A 65 6.734 -6.136 12.056 1.00 0.00 H new ATOM 0 HG3 LYS A 65 5.592 -7.302 11.419 1.00 0.00 H new ATOM 0 HD2 LYS A 65 8.442 -8.047 11.037 1.00 0.00 H new ATOM 0 HD3 LYS A 65 7.942 -7.940 12.714 1.00 0.00 H new ATOM 0 HE2 LYS A 65 7.181 -10.058 12.438 1.00 0.00 H new ATOM 0 HE3 LYS A 65 5.819 -9.315 11.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 6.430 -10.629 9.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 7.627 -9.465 9.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 8.006 -10.857 10.524 1.00 0.00 H new ATOM 978 N LEU A 66 6.949 -4.497 7.407 1.00 0.00 N ATOM 979 CA LEU A 66 7.725 -3.745 6.423 1.00 0.00 C ATOM 980 C LEU A 66 7.265 -2.291 6.368 1.00 0.00 C ATOM 981 O LEU A 66 8.085 -1.373 6.323 1.00 0.00 O ATOM 982 CB LEU A 66 7.609 -4.388 5.038 1.00 0.00 C ATOM 983 CG LEU A 66 8.204 -5.795 4.929 1.00 0.00 C ATOM 984 CD1 LEU A 66 7.430 -6.626 3.917 1.00 0.00 C ATOM 985 CD2 LEU A 66 9.677 -5.722 4.554 1.00 0.00 C ATOM 0 H LEU A 66 6.340 -5.212 7.009 1.00 0.00 H new ATOM 0 HA LEU A 66 8.770 -3.766 6.731 1.00 0.00 H new ATOM 0 HB2 LEU A 66 6.556 -4.432 4.761 1.00 0.00 H new ATOM 0 HB3 LEU A 66 8.103 -3.743 4.311 1.00 0.00 H new ATOM 0 HG LEU A 66 8.122 -6.281 5.901 1.00 0.00 H new ATOM 0 HD11 LEU A 66 7.868 -7.622 3.854 1.00 0.00 H new ATOM 0 HD12 LEU A 66 6.389 -6.706 4.232 1.00 0.00 H new ATOM 0 HD13 LEU A 66 7.478 -6.146 2.940 1.00 0.00 H new ATOM 0 HD21 LEU A 66 10.084 -6.730 4.481 1.00 0.00 H new ATOM 0 HD22 LEU A 66 9.783 -5.217 3.594 1.00 0.00 H new ATOM 0 HD23 LEU A 66 10.220 -5.166 5.318 1.00 0.00 H new ATOM 997 N ILE A 67 5.948 -2.086 6.382 1.00 0.00 N ATOM 998 CA ILE A 67 5.379 -0.739 6.343 1.00 0.00 C ATOM 999 C ILE A 67 5.729 0.040 7.611 1.00 0.00 C ATOM 1000 O ILE A 67 6.007 1.241 7.554 1.00 0.00 O ATOM 1001 CB ILE A 67 3.840 -0.775 6.171 1.00 0.00 C ATOM 1002 CG1 ILE A 67 3.454 -1.628 4.956 1.00 0.00 C ATOM 1003 CG2 ILE A 67 3.282 0.638 6.032 1.00 0.00 C ATOM 1004 CD1 ILE A 67 2.090 -2.275 5.074 1.00 0.00 C ATOM 0 H ILE A 67 5.256 -2.834 6.420 1.00 0.00 H new ATOM 0 HA ILE A 67 5.814 -0.236 5.480 1.00 0.00 H new ATOM 0 HB ILE A 67 3.406 -1.229 7.062 1.00 0.00 H new ATOM 0 HG12 ILE A 67 3.474 -1.003 4.063 1.00 0.00 H new ATOM 0 HG13 ILE A 67 4.204 -2.406 4.817 1.00 0.00 H new ATOM 0 HG21 ILE A 67 2.200 0.592 5.912 1.00 0.00 H new ATOM 0 HG22 ILE A 67 3.524 1.214 6.925 1.00 0.00 H new ATOM 0 HG23 ILE A 67 3.723 1.119 5.159 1.00 0.00 H new ATOM 0 HD11 ILE A 67 1.887 -2.862 4.178 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.071 -2.927 5.947 1.00 0.00 H new ATOM 0 HD13 ILE A 67 1.329 -1.502 5.182 1.00 0.00 H new ATOM 1016 N GLY A 68 5.726 -0.653 8.749 1.00 0.00 N ATOM 1017 CA GLY A 68 6.057 -0.015 10.013 1.00 0.00 C ATOM 1018 C GLY A 68 7.554 -0.002 10.300 1.00 0.00 C ATOM 1019 O GLY A 68 7.979 0.447 11.366 1.00 0.00 O ATOM 0 H GLY A 68 5.500 -1.645 8.818 1.00 0.00 H new ATOM 0 HA2 GLY A 68 5.685 1.010 10.005 1.00 0.00 H new ATOM 0 HA3 GLY A 68 5.542 -0.534 10.821 1.00 0.00 H new ATOM 1023 N LYS A 69 8.355 -0.491 9.348 1.00 0.00 N ATOM 1024 CA LYS A 69 9.808 -0.531 9.501 1.00 0.00 C ATOM 1025 C LYS A 69 10.450 0.781 9.045 1.00 0.00 C ATOM 1026 O LYS A 69 11.447 1.223 9.618 1.00 0.00 O ATOM 1027 CB LYS A 69 10.389 -1.703 8.702 1.00 0.00 C ATOM 1028 CG LYS A 69 11.900 -1.842 8.818 1.00 0.00 C ATOM 1029 CD LYS A 69 12.287 -3.126 9.534 1.00 0.00 C ATOM 1030 CE LYS A 69 13.729 -3.088 10.015 1.00 0.00 C ATOM 1031 NZ LYS A 69 14.628 -3.899 9.147 1.00 0.00 N ATOM 0 H LYS A 69 8.018 -0.865 8.461 1.00 0.00 H new ATOM 0 HA LYS A 69 10.032 -0.669 10.559 1.00 0.00 H new ATOM 0 HB2 LYS A 69 9.922 -2.628 9.041 1.00 0.00 H new ATOM 0 HB3 LYS A 69 10.125 -1.580 7.652 1.00 0.00 H new ATOM 0 HG2 LYS A 69 12.345 -1.830 7.823 1.00 0.00 H new ATOM 0 HG3 LYS A 69 12.305 -0.986 9.358 1.00 0.00 H new ATOM 0 HD2 LYS A 69 11.624 -3.283 10.384 1.00 0.00 H new ATOM 0 HD3 LYS A 69 12.150 -3.973 8.862 1.00 0.00 H new ATOM 0 HE2 LYS A 69 14.078 -2.056 10.034 1.00 0.00 H new ATOM 0 HE3 LYS A 69 13.780 -3.460 11.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 15.601 -3.846 9.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 14.311 -4.890 9.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 14.600 -3.528 8.176 1.00 0.00 H new ATOM 1045 N CYS A 70 9.875 1.397 8.012 1.00 0.00 N ATOM 1046 CA CYS A 70 10.390 2.655 7.482 1.00 0.00 C ATOM 1047 C CYS A 70 10.111 3.805 8.445 1.00 0.00 C ATOM 1048 O CYS A 70 11.032 4.488 8.896 1.00 0.00 O ATOM 1049 CB CYS A 70 9.772 2.944 6.109 1.00 0.00 C ATOM 1050 SG CYS A 70 10.957 3.556 4.886 1.00 0.00 S ATOM 0 H CYS A 70 9.051 1.043 7.526 1.00 0.00 H new ATOM 0 HA CYS A 70 11.470 2.563 7.368 1.00 0.00 H new ATOM 0 HB2 CYS A 70 9.311 2.032 5.729 1.00 0.00 H new ATOM 0 HB3 CYS A 70 8.975 3.678 6.227 1.00 0.00 H new ATOM 0 HG CYS A 70 10.315 4.090 3.890 1.00 0.00 H new ATOM 1056 N SER A 71 8.833 4.008 8.753 1.00 0.00 N ATOM 1057 CA SER A 71 8.405 5.071 9.666 1.00 0.00 C ATOM 1058 C SER A 71 8.715 6.452 9.086 1.00 0.00 C ATOM 1059 O SER A 71 9.065 7.384 9.815 1.00 0.00 O ATOM 1060 CB SER A 71 9.078 4.910 11.035 1.00 0.00 C ATOM 1061 OG SER A 71 8.823 3.626 11.582 1.00 0.00 O ATOM 0 H SER A 71 8.067 3.446 8.381 1.00 0.00 H new ATOM 0 HA SER A 71 7.326 4.987 9.793 1.00 0.00 H new ATOM 0 HB2 SER A 71 10.153 5.059 10.935 1.00 0.00 H new ATOM 0 HB3 SER A 71 8.712 5.678 11.716 1.00 0.00 H new ATOM 0 HG SER A 71 9.264 3.548 12.454 1.00 0.00 H new ATOM 1067 N GLY A 72 8.579 6.571 7.767 1.00 0.00 N ATOM 1068 CA GLY A 72 8.843 7.833 7.097 1.00 0.00 C ATOM 1069 C GLY A 72 8.232 7.891 5.711 1.00 0.00 C ATOM 1070 O GLY A 72 7.630 8.898 5.333 1.00 0.00 O ATOM 0 H GLY A 72 8.290 5.813 7.149 1.00 0.00 H new ATOM 0 HA2 GLY A 72 8.448 8.651 7.700 1.00 0.00 H new ATOM 0 HA3 GLY A 72 9.920 7.983 7.023 1.00 0.00 H new ATOM 1074 N VAL A 73 8.381 6.802 4.950 1.00 0.00 N ATOM 1075 CA VAL A 73 7.837 6.733 3.598 1.00 0.00 C ATOM 1076 C VAL A 73 7.744 5.289 3.108 1.00 0.00 C ATOM 1077 O VAL A 73 8.658 4.492 3.310 1.00 0.00 O ATOM 1078 CB VAL A 73 8.679 7.562 2.603 1.00 0.00 C ATOM 1079 CG1 VAL A 73 10.127 7.085 2.577 1.00 0.00 C ATOM 1080 CG2 VAL A 73 8.068 7.518 1.208 1.00 0.00 C ATOM 0 H VAL A 73 8.873 5.960 5.250 1.00 0.00 H new ATOM 0 HA VAL A 73 6.833 7.156 3.643 1.00 0.00 H new ATOM 0 HB VAL A 73 8.675 8.598 2.943 1.00 0.00 H new ATOM 0 HG11 VAL A 73 10.696 7.687 1.868 1.00 0.00 H new ATOM 0 HG12 VAL A 73 10.562 7.188 3.571 1.00 0.00 H new ATOM 0 HG13 VAL A 73 10.160 6.039 2.273 1.00 0.00 H new ATOM 0 HG21 VAL A 73 8.678 8.109 0.525 1.00 0.00 H new ATOM 0 HG22 VAL A 73 8.030 6.486 0.860 1.00 0.00 H new ATOM 0 HG23 VAL A 73 7.059 7.928 1.240 1.00 0.00 H new ATOM 1090 N LEU A 74 6.624 4.965 2.465 1.00 0.00 N ATOM 1091 CA LEU A 74 6.397 3.620 1.945 1.00 0.00 C ATOM 1092 C LEU A 74 6.375 3.606 0.421 1.00 0.00 C ATOM 1093 O LEU A 74 5.735 4.447 -0.210 1.00 0.00 O ATOM 1094 CB LEU A 74 5.080 3.060 2.484 1.00 0.00 C ATOM 1095 CG LEU A 74 5.225 2.018 3.595 1.00 0.00 C ATOM 1096 CD1 LEU A 74 5.863 0.743 3.058 1.00 0.00 C ATOM 1097 CD2 LEU A 74 6.036 2.578 4.756 1.00 0.00 C ATOM 0 H LEU A 74 5.859 5.617 2.292 1.00 0.00 H new ATOM 0 HA LEU A 74 7.224 2.993 2.279 1.00 0.00 H new ATOM 0 HB2 LEU A 74 4.478 3.887 2.859 1.00 0.00 H new ATOM 0 HB3 LEU A 74 4.528 2.613 1.657 1.00 0.00 H new ATOM 0 HG LEU A 74 4.229 1.772 3.963 1.00 0.00 H new ATOM 0 HD11 LEU A 74 5.957 0.016 3.864 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.238 0.329 2.267 1.00 0.00 H new ATOM 0 HD13 LEU A 74 6.851 0.971 2.658 1.00 0.00 H new ATOM 0 HD21 LEU A 74 6.127 1.821 5.535 1.00 0.00 H new ATOM 0 HD22 LEU A 74 7.029 2.858 4.404 1.00 0.00 H new ATOM 0 HD23 LEU A 74 5.533 3.456 5.161 1.00 0.00 H new ATOM 1109 N HIS A 75 7.077 2.635 -0.158 1.00 0.00 N ATOM 1110 CA HIS A 75 7.144 2.482 -1.608 1.00 0.00 C ATOM 1111 C HIS A 75 6.531 1.146 -2.021 1.00 0.00 C ATOM 1112 O HIS A 75 7.192 0.106 -1.968 1.00 0.00 O ATOM 1113 CB HIS A 75 8.598 2.573 -2.089 1.00 0.00 C ATOM 1114 CG HIS A 75 9.244 3.896 -1.809 1.00 0.00 C ATOM 1115 ND1 HIS A 75 9.360 4.605 -0.659 1.00 0.00 N flip ATOM 1116 CD2 HIS A 75 9.872 4.646 -2.782 1.00 0.00 C flip ATOM 1117 CE1 HIS A 75 10.049 5.754 -0.957 1.00 0.00 C flip ATOM 1118 NE2 HIS A 75 10.348 5.754 -2.242 1.00 0.00 N flip ATOM 0 H HIS A 75 7.611 1.938 0.360 1.00 0.00 H new ATOM 0 HA HIS A 75 6.576 3.288 -2.072 1.00 0.00 H new ATOM 0 HB2 HIS A 75 9.180 1.786 -1.609 1.00 0.00 H new ATOM 0 HB3 HIS A 75 8.629 2.383 -3.162 1.00 0.00 H new ATOM 0 HD2 HIS A 75 9.961 4.370 -3.822 1.00 0.00 H new ATOM 0 HE1 HIS A 75 10.305 6.532 -0.253 1.00 0.00 H new ATOM 0 HE2 HIS A 75 10.860 6.486 -2.735 1.00 0.00 H new ATOM 1127 N MET A 76 5.255 1.177 -2.412 1.00 0.00 N ATOM 1128 CA MET A 76 4.547 -0.039 -2.815 1.00 0.00 C ATOM 1129 C MET A 76 4.005 0.066 -4.240 1.00 0.00 C ATOM 1130 O MET A 76 3.780 1.164 -4.753 1.00 0.00 O ATOM 1131 CB MET A 76 3.401 -0.345 -1.841 1.00 0.00 C ATOM 1132 CG MET A 76 2.491 0.839 -1.553 1.00 0.00 C ATOM 1133 SD MET A 76 1.148 0.413 -0.430 1.00 0.00 S ATOM 1134 CE MET A 76 0.136 1.887 -0.528 1.00 0.00 C ATOM 0 H MET A 76 4.693 2.027 -2.458 1.00 0.00 H new ATOM 0 HA MET A 76 5.268 -0.856 -2.789 1.00 0.00 H new ATOM 0 HB2 MET A 76 2.801 -1.159 -2.249 1.00 0.00 H new ATOM 0 HB3 MET A 76 3.824 -0.700 -0.901 1.00 0.00 H new ATOM 0 HG2 MET A 76 3.079 1.649 -1.122 1.00 0.00 H new ATOM 0 HG3 MET A 76 2.075 1.210 -2.489 1.00 0.00 H new ATOM 0 HE1 MET A 76 -0.504 1.948 0.352 1.00 0.00 H new ATOM 0 HE2 MET A 76 0.778 2.767 -0.571 1.00 0.00 H new ATOM 0 HE3 MET A 76 -0.483 1.845 -1.424 1.00 0.00 H new ATOM 1144 N VAL A 77 3.794 -1.089 -4.869 1.00 0.00 N ATOM 1145 CA VAL A 77 3.275 -1.149 -6.232 1.00 0.00 C ATOM 1146 C VAL A 77 1.859 -1.724 -6.247 1.00 0.00 C ATOM 1147 O VAL A 77 1.664 -2.914 -5.996 1.00 0.00 O ATOM 1148 CB VAL A 77 4.179 -2.006 -7.148 1.00 0.00 C ATOM 1149 CG1 VAL A 77 3.749 -1.880 -8.603 1.00 0.00 C ATOM 1150 CG2 VAL A 77 5.640 -1.615 -6.984 1.00 0.00 C ATOM 0 H VAL A 77 3.976 -2.002 -4.452 1.00 0.00 H new ATOM 0 HA VAL A 77 3.259 -0.128 -6.613 1.00 0.00 H new ATOM 0 HB VAL A 77 4.070 -3.049 -6.850 1.00 0.00 H new ATOM 0 HG11 VAL A 77 4.399 -2.491 -9.229 1.00 0.00 H new ATOM 0 HG12 VAL A 77 2.719 -2.220 -8.709 1.00 0.00 H new ATOM 0 HG13 VAL A 77 3.821 -0.838 -8.915 1.00 0.00 H new ATOM 0 HG21 VAL A 77 6.257 -2.231 -7.638 1.00 0.00 H new ATOM 0 HG22 VAL A 77 5.768 -0.565 -7.248 1.00 0.00 H new ATOM 0 HG23 VAL A 77 5.944 -1.768 -5.948 1.00 0.00 H new ATOM 1160 N ILE A 78 0.878 -0.870 -6.539 1.00 0.00 N ATOM 1161 CA ILE A 78 -0.523 -1.291 -6.585 1.00 0.00 C ATOM 1162 C ILE A 78 -1.028 -1.383 -8.024 1.00 0.00 C ATOM 1163 O ILE A 78 -0.716 -0.530 -8.858 1.00 0.00 O ATOM 1164 CB ILE A 78 -1.443 -0.334 -5.791 1.00 0.00 C ATOM 1165 CG1 ILE A 78 -1.169 1.126 -6.173 1.00 0.00 C ATOM 1166 CG2 ILE A 78 -1.266 -0.541 -4.293 1.00 0.00 C ATOM 1167 CD1 ILE A 78 -2.425 1.942 -6.383 1.00 0.00 C ATOM 0 H ILE A 78 1.027 0.117 -6.747 1.00 0.00 H new ATOM 0 HA ILE A 78 -0.560 -2.277 -6.122 1.00 0.00 H new ATOM 0 HB ILE A 78 -2.477 -0.563 -6.048 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -0.570 1.591 -5.390 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -0.574 1.149 -7.086 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -1.921 0.141 -3.751 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -1.520 -1.569 -4.035 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -0.230 -0.343 -4.018 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -2.155 2.964 -6.650 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -3.016 1.501 -7.186 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -3.011 1.951 -5.464 1.00 0.00 H new ATOM 1179 N ALA A 79 -1.813 -2.423 -8.303 1.00 0.00 N ATOM 1180 CA ALA A 79 -2.369 -2.635 -9.636 1.00 0.00 C ATOM 1181 C ALA A 79 -3.859 -2.298 -9.672 1.00 0.00 C ATOM 1182 O ALA A 79 -4.645 -2.837 -8.887 1.00 0.00 O ATOM 1183 CB ALA A 79 -2.144 -4.073 -10.080 1.00 0.00 C ATOM 0 H ALA A 79 -2.078 -3.133 -7.620 1.00 0.00 H new ATOM 0 HA ALA A 79 -1.854 -1.967 -10.326 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -2.564 -4.216 -11.076 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -1.075 -4.284 -10.103 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -2.632 -4.751 -9.380 1.00 0.00 H new ATOM 1189 N GLU A 80 -4.241 -1.409 -10.591 1.00 0.00 N ATOM 1190 CA GLU A 80 -5.638 -1.005 -10.734 1.00 0.00 C ATOM 1191 C GLU A 80 -6.381 -1.954 -11.672 1.00 0.00 C ATOM 1192 O GLU A 80 -5.987 -2.140 -12.824 1.00 0.00 O ATOM 1193 CB GLU A 80 -5.747 0.440 -11.248 1.00 0.00 C ATOM 1194 CG GLU A 80 -4.888 0.733 -12.469 1.00 0.00 C ATOM 1195 CD GLU A 80 -5.257 2.042 -13.143 1.00 0.00 C ATOM 1196 OE1 GLU A 80 -4.767 3.100 -12.695 1.00 0.00 O ATOM 1197 OE2 GLU A 80 -6.036 2.007 -14.118 1.00 0.00 O ATOM 0 H GLU A 80 -3.603 -0.957 -11.245 1.00 0.00 H new ATOM 0 HA GLU A 80 -6.100 -1.054 -9.748 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -6.789 0.650 -11.491 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -5.464 1.122 -10.446 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -3.840 0.765 -12.172 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -4.992 -0.082 -13.185 1.00 0.00 H new