USER MOD reduce.3.24.130724 H: found=0, std=0, add=545, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 545 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 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 177:sc= -0.85 (180deg=-0.868) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 63:sc= 0.289 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 CYS SG : rot -140:sc= -4.81! USER MOD Single : A 48 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0198) USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=-0.054) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.00125 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -0.0787 X(o=-0.079,f=-0.0012) USER MOD Single : A 61 CYS SG : rot 128:sc= -1.94 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 HIS : no HD1:sc= -3.47! K(o=-3.5!,f=-2.1) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 68 N LEU A 8 10.149 -5.399 0.618 1.00 0.00 N ATOM 69 CA LEU A 8 9.641 -4.254 1.365 1.00 0.00 C ATOM 70 C LEU A 8 9.399 -4.622 2.825 1.00 0.00 C ATOM 71 O LEU A 8 9.258 -5.796 3.165 1.00 0.00 O ATOM 72 CB LEU A 8 8.345 -3.740 0.735 1.00 0.00 C ATOM 73 CG LEU A 8 8.375 -3.605 -0.789 1.00 0.00 C ATOM 74 CD1 LEU A 8 6.986 -3.287 -1.323 1.00 0.00 C ATOM 75 CD2 LEU A 8 9.369 -2.531 -1.208 1.00 0.00 C ATOM 0 HA LEU A 8 10.392 -3.465 1.327 1.00 0.00 H new ATOM 0 HB2 LEU A 8 7.533 -4.414 1.009 1.00 0.00 H new ATOM 0 HB3 LEU A 8 8.110 -2.767 1.166 1.00 0.00 H new ATOM 0 HG LEU A 8 8.696 -4.556 -1.214 1.00 0.00 H new ATOM 0 HD11 LEU A 8 7.026 -3.194 -2.408 1.00 0.00 H new ATOM 0 HD12 LEU A 8 6.300 -4.089 -1.052 1.00 0.00 H new ATOM 0 HD13 LEU A 8 6.636 -2.349 -0.891 1.00 0.00 H new ATOM 0 HD21 LEU A 8 9.378 -2.448 -2.295 1.00 0.00 H new ATOM 0 HD22 LEU A 8 9.077 -1.575 -0.773 1.00 0.00 H new ATOM 0 HD23 LEU A 8 10.365 -2.800 -0.856 1.00 0.00 H new ATOM 87 N ARG A 9 9.353 -3.609 3.685 1.00 0.00 N ATOM 88 CA ARG A 9 9.127 -3.825 5.110 1.00 0.00 C ATOM 89 C ARG A 9 8.147 -2.798 5.667 1.00 0.00 C ATOM 90 O ARG A 9 7.942 -1.736 5.078 1.00 0.00 O ATOM 91 CB ARG A 9 10.450 -3.752 5.874 1.00 0.00 C ATOM 92 CG ARG A 9 11.570 -4.554 5.230 1.00 0.00 C ATOM 93 CD ARG A 9 12.866 -4.440 6.017 1.00 0.00 C ATOM 94 NE ARG A 9 13.406 -5.750 6.373 1.00 0.00 N ATOM 95 CZ ARG A 9 13.864 -6.629 5.485 1.00 0.00 C ATOM 96 NH1 ARG A 9 13.847 -6.344 4.189 1.00 0.00 N ATOM 97 NH2 ARG A 9 14.340 -7.797 5.894 1.00 0.00 N ATOM 0 H ARG A 9 9.469 -2.631 3.420 1.00 0.00 H new ATOM 0 HA ARG A 9 8.696 -4.818 5.238 1.00 0.00 H new ATOM 0 HB2 ARG A 9 10.759 -2.709 5.951 1.00 0.00 H new ATOM 0 HB3 ARG A 9 10.293 -4.114 6.890 1.00 0.00 H new ATOM 0 HG2 ARG A 9 11.276 -5.601 5.163 1.00 0.00 H new ATOM 0 HG3 ARG A 9 11.731 -4.202 4.211 1.00 0.00 H new ATOM 0 HD2 ARG A 9 13.601 -3.893 5.427 1.00 0.00 H new ATOM 0 HD3 ARG A 9 12.690 -3.862 6.924 1.00 0.00 H new ATOM 0 HE ARG A 9 13.434 -6.006 7.360 1.00 0.00 H new ATOM 0 HH11 ARG A 9 13.482 -5.447 3.869 1.00 0.00 H new ATOM 0 HH12 ARG A 9 14.199 -7.022 3.513 1.00 0.00 H new ATOM 0 HH21 ARG A 9 14.355 -8.021 6.889 1.00 0.00 H new ATOM 0 HH22 ARG A 9 14.691 -8.471 5.214 1.00 0.00 H new ATOM 111 N LEU A 10 7.543 -3.121 6.806 1.00 0.00 N ATOM 112 CA LEU A 10 6.584 -2.226 7.443 1.00 0.00 C ATOM 113 C LEU A 10 7.275 -0.971 7.966 1.00 0.00 C ATOM 114 O LEU A 10 8.042 -1.028 8.928 1.00 0.00 O ATOM 115 CB LEU A 10 5.868 -2.943 8.588 1.00 0.00 C ATOM 116 CG LEU A 10 5.029 -4.153 8.171 1.00 0.00 C ATOM 117 CD1 LEU A 10 4.893 -5.134 9.326 1.00 0.00 C ATOM 118 CD2 LEU A 10 3.659 -3.707 7.683 1.00 0.00 C ATOM 0 H LEU A 10 7.701 -3.996 7.307 1.00 0.00 H new ATOM 0 HA LEU A 10 5.850 -1.929 6.694 1.00 0.00 H new ATOM 0 HB2 LEU A 10 6.613 -3.269 9.314 1.00 0.00 H new ATOM 0 HB3 LEU A 10 5.220 -2.228 9.095 1.00 0.00 H new ATOM 0 HG LEU A 10 5.538 -4.659 7.351 1.00 0.00 H new ATOM 0 HD11 LEU A 10 4.293 -5.987 9.010 1.00 0.00 H new ATOM 0 HD12 LEU A 10 5.882 -5.478 9.630 1.00 0.00 H new ATOM 0 HD13 LEU A 10 4.406 -4.640 10.167 1.00 0.00 H new ATOM 0 HD21 LEU A 10 3.075 -4.580 7.390 1.00 0.00 H new ATOM 0 HD22 LEU A 10 3.143 -3.177 8.483 1.00 0.00 H new ATOM 0 HD23 LEU A 10 3.776 -3.045 6.825 1.00 0.00 H new ATOM 130 N GLY A 11 6.998 0.161 7.328 1.00 0.00 N ATOM 131 CA GLY A 11 7.601 1.415 7.743 1.00 0.00 C ATOM 132 C GLY A 11 8.640 1.913 6.758 1.00 0.00 C ATOM 133 O GLY A 11 9.663 2.473 7.153 1.00 0.00 O ATOM 0 H GLY A 11 6.366 0.233 6.530 1.00 0.00 H new ATOM 0 HA2 GLY A 11 6.822 2.169 7.857 1.00 0.00 H new ATOM 0 HA3 GLY A 11 8.065 1.285 8.721 1.00 0.00 H new ATOM 137 N ASP A 12 8.378 1.710 5.471 1.00 0.00 N ATOM 138 CA ASP A 12 9.298 2.142 4.425 1.00 0.00 C ATOM 139 C ASP A 12 8.585 3.021 3.402 1.00 0.00 C ATOM 140 O ASP A 12 7.376 2.904 3.204 1.00 0.00 O ATOM 141 CB ASP A 12 9.919 0.930 3.730 1.00 0.00 C ATOM 142 CG ASP A 12 11.233 0.511 4.360 1.00 0.00 C ATOM 143 OD1 ASP A 12 12.116 1.379 4.523 1.00 0.00 O ATOM 144 OD2 ASP A 12 11.378 -0.685 4.692 1.00 0.00 O ATOM 0 H ASP A 12 7.536 1.249 5.127 1.00 0.00 H new ATOM 0 HA ASP A 12 10.089 2.728 4.892 1.00 0.00 H new ATOM 0 HB2 ASP A 12 9.219 0.095 3.768 1.00 0.00 H new ATOM 0 HB3 ASP A 12 10.082 1.162 2.678 1.00 0.00 H new ATOM 149 N ARG A 13 9.344 3.898 2.753 1.00 0.00 N ATOM 150 CA ARG A 13 8.784 4.797 1.750 1.00 0.00 C ATOM 151 C ARG A 13 8.807 4.150 0.368 1.00 0.00 C ATOM 152 O ARG A 13 9.869 3.806 -0.149 1.00 0.00 O ATOM 153 CB ARG A 13 9.562 6.115 1.725 1.00 0.00 C ATOM 154 CG ARG A 13 8.895 7.230 2.515 1.00 0.00 C ATOM 155 CD ARG A 13 9.304 7.196 3.978 1.00 0.00 C ATOM 156 NE ARG A 13 10.730 7.458 4.156 1.00 0.00 N ATOM 157 CZ ARG A 13 11.277 7.835 5.310 1.00 0.00 C ATOM 158 NH1 ARG A 13 10.522 7.995 6.390 1.00 0.00 N ATOM 159 NH2 ARG A 13 12.583 8.053 5.384 1.00 0.00 N ATOM 0 H ARG A 13 10.347 4.005 2.903 1.00 0.00 H new ATOM 0 HA ARG A 13 7.747 5.002 2.018 1.00 0.00 H new ATOM 0 HB2 ARG A 13 10.561 5.945 2.125 1.00 0.00 H new ATOM 0 HB3 ARG A 13 9.683 6.436 0.690 1.00 0.00 H new ATOM 0 HG2 ARG A 13 9.163 8.194 2.083 1.00 0.00 H new ATOM 0 HG3 ARG A 13 7.812 7.136 2.436 1.00 0.00 H new ATOM 0 HD2 ARG A 13 8.728 7.937 4.532 1.00 0.00 H new ATOM 0 HD3 ARG A 13 9.060 6.221 4.400 1.00 0.00 H new ATOM 0 HE ARG A 13 11.343 7.346 3.349 1.00 0.00 H new ATOM 0 HH11 ARG A 13 9.517 7.829 6.339 1.00 0.00 H new ATOM 0 HH12 ARG A 13 10.947 8.284 7.271 1.00 0.00 H new ATOM 0 HH21 ARG A 13 13.168 7.932 4.557 1.00 0.00 H new ATOM 0 HH22 ARG A 13 13.003 8.342 6.268 1.00 0.00 H new ATOM 173 N VAL A 14 7.628 3.990 -0.223 1.00 0.00 N ATOM 174 CA VAL A 14 7.512 3.385 -1.544 1.00 0.00 C ATOM 175 C VAL A 14 6.670 4.252 -2.475 1.00 0.00 C ATOM 176 O VAL A 14 6.054 5.225 -2.042 1.00 0.00 O ATOM 177 CB VAL A 14 6.887 1.980 -1.467 1.00 0.00 C ATOM 178 CG1 VAL A 14 7.873 0.988 -0.870 1.00 0.00 C ATOM 179 CG2 VAL A 14 5.598 2.013 -0.660 1.00 0.00 C ATOM 0 H VAL A 14 6.740 4.271 0.192 1.00 0.00 H new ATOM 0 HA VAL A 14 8.523 3.303 -1.942 1.00 0.00 H new ATOM 0 HB VAL A 14 6.647 1.653 -2.479 1.00 0.00 H new ATOM 0 HG11 VAL A 14 7.413 0.001 -0.824 1.00 0.00 H new ATOM 0 HG12 VAL A 14 8.766 0.943 -1.493 1.00 0.00 H new ATOM 0 HG13 VAL A 14 8.147 1.308 0.135 1.00 0.00 H new ATOM 0 HG21 VAL A 14 5.170 1.011 -0.616 1.00 0.00 H new ATOM 0 HG22 VAL A 14 5.810 2.361 0.351 1.00 0.00 H new ATOM 0 HG23 VAL A 14 4.888 2.690 -1.135 1.00 0.00 H new ATOM 189 N LEU A 15 6.649 3.892 -3.754 1.00 0.00 N ATOM 190 CA LEU A 15 5.882 4.638 -4.745 1.00 0.00 C ATOM 191 C LEU A 15 4.670 3.839 -5.211 1.00 0.00 C ATOM 192 O LEU A 15 4.765 2.638 -5.462 1.00 0.00 O ATOM 193 CB LEU A 15 6.765 4.991 -5.943 1.00 0.00 C ATOM 194 CG LEU A 15 6.331 6.231 -6.727 1.00 0.00 C ATOM 195 CD1 LEU A 15 6.383 7.466 -5.842 1.00 0.00 C ATOM 196 CD2 LEU A 15 7.205 6.416 -7.958 1.00 0.00 C ATOM 0 H LEU A 15 7.154 3.089 -4.128 1.00 0.00 H new ATOM 0 HA LEU A 15 5.530 5.557 -4.277 1.00 0.00 H new ATOM 0 HB2 LEU A 15 7.785 5.142 -5.590 1.00 0.00 H new ATOM 0 HB3 LEU A 15 6.785 4.139 -6.623 1.00 0.00 H new ATOM 0 HG LEU A 15 5.302 6.089 -7.056 1.00 0.00 H new ATOM 0 HD11 LEU A 15 6.071 8.338 -6.416 1.00 0.00 H new ATOM 0 HD12 LEU A 15 5.714 7.333 -4.992 1.00 0.00 H new ATOM 0 HD13 LEU A 15 7.401 7.613 -5.483 1.00 0.00 H new ATOM 0 HD21 LEU A 15 6.882 7.303 -8.504 1.00 0.00 H new ATOM 0 HD22 LEU A 15 8.244 6.537 -7.652 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.116 5.541 -8.602 1.00 0.00 H new ATOM 208 N VAL A 16 3.531 4.514 -5.325 1.00 0.00 N ATOM 209 CA VAL A 16 2.299 3.866 -5.760 1.00 0.00 C ATOM 210 C VAL A 16 1.774 4.495 -7.046 1.00 0.00 C ATOM 211 O VAL A 16 1.289 5.627 -7.043 1.00 0.00 O ATOM 212 CB VAL A 16 1.206 3.951 -4.678 1.00 0.00 C ATOM 213 CG1 VAL A 16 0.004 3.103 -5.066 1.00 0.00 C ATOM 214 CG2 VAL A 16 1.758 3.525 -3.324 1.00 0.00 C ATOM 0 H VAL A 16 3.435 5.509 -5.122 1.00 0.00 H new ATOM 0 HA VAL A 16 2.539 2.818 -5.941 1.00 0.00 H new ATOM 0 HB VAL A 16 0.878 4.988 -4.598 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -0.758 3.175 -4.290 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -0.405 3.462 -6.011 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.312 2.063 -5.176 1.00 0.00 H new ATOM 0 HG21 VAL A 16 0.971 3.592 -2.573 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.116 2.497 -3.384 1.00 0.00 H new ATOM 0 HG23 VAL A 16 2.583 4.181 -3.045 1.00 0.00 H new ATOM 224 N GLY A 17 1.874 3.754 -8.145 1.00 0.00 N ATOM 225 CA GLY A 17 1.406 4.257 -9.423 1.00 0.00 C ATOM 226 C GLY A 17 2.518 4.875 -10.249 1.00 0.00 C ATOM 227 O GLY A 17 2.437 4.917 -11.476 1.00 0.00 O ATOM 0 H GLY A 17 2.271 2.815 -8.173 1.00 0.00 H new ATOM 0 HA2 GLY A 17 0.951 3.442 -9.985 1.00 0.00 H new ATOM 0 HA3 GLY A 17 0.628 5.001 -9.254 1.00 0.00 H new ATOM 231 N GLY A 18 3.558 5.354 -9.573 1.00 0.00 N ATOM 232 CA GLY A 18 4.676 5.966 -10.269 1.00 0.00 C ATOM 233 C GLY A 18 4.814 7.443 -9.958 1.00 0.00 C ATOM 234 O GLY A 18 5.299 8.214 -10.785 1.00 0.00 O ATOM 0 H GLY A 18 3.647 5.329 -8.557 1.00 0.00 H new ATOM 0 HA2 GLY A 18 5.597 5.452 -9.993 1.00 0.00 H new ATOM 0 HA3 GLY A 18 4.547 5.835 -11.343 1.00 0.00 H new ATOM 238 N THR A 19 4.386 7.837 -8.763 1.00 0.00 N ATOM 239 CA THR A 19 4.464 9.232 -8.346 1.00 0.00 C ATOM 240 C THR A 19 3.969 9.399 -6.912 1.00 0.00 C ATOM 241 O THR A 19 4.626 10.034 -6.088 1.00 0.00 O ATOM 242 CB THR A 19 3.643 10.115 -9.286 1.00 0.00 C ATOM 243 OG1 THR A 19 3.603 11.450 -8.813 1.00 0.00 O ATOM 244 CG2 THR A 19 2.215 9.645 -9.455 1.00 0.00 C ATOM 0 H THR A 19 3.982 7.210 -8.067 1.00 0.00 H new ATOM 0 HA THR A 19 5.509 9.540 -8.390 1.00 0.00 H new ATOM 0 HB THR A 19 4.145 10.053 -10.252 1.00 0.00 H new ATOM 0 HG1 THR A 19 3.074 12.000 -9.429 1.00 0.00 H new ATOM 0 HG21 THR A 19 1.689 10.316 -10.134 1.00 0.00 H new ATOM 0 HG22 THR A 19 2.210 8.636 -9.866 1.00 0.00 H new ATOM 0 HG23 THR A 19 1.715 9.644 -8.486 1.00 0.00 H new ATOM 252 N LYS A 20 2.806 8.824 -6.624 1.00 0.00 N ATOM 253 CA LYS A 20 2.222 8.909 -5.290 1.00 0.00 C ATOM 254 C LYS A 20 3.112 8.218 -4.262 1.00 0.00 C ATOM 255 O LYS A 20 3.164 6.990 -4.195 1.00 0.00 O ATOM 256 CB LYS A 20 0.828 8.278 -5.280 1.00 0.00 C ATOM 257 CG LYS A 20 -0.131 8.906 -6.280 1.00 0.00 C ATOM 258 CD LYS A 20 -0.891 7.850 -7.066 1.00 0.00 C ATOM 259 CE LYS A 20 -1.727 6.968 -6.152 1.00 0.00 C ATOM 260 NZ LYS A 20 -2.814 7.735 -5.482 1.00 0.00 N ATOM 0 H LYS A 20 2.250 8.295 -7.295 1.00 0.00 H new ATOM 0 HA LYS A 20 2.139 9.963 -5.023 1.00 0.00 H new ATOM 0 HB2 LYS A 20 0.919 7.213 -5.495 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.405 8.366 -4.279 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -0.838 9.547 -5.754 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.425 9.542 -6.968 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -1.538 8.335 -7.797 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.186 7.233 -7.624 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.161 6.153 -6.732 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -1.084 6.515 -5.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -3.392 7.089 -4.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -2.397 8.464 -4.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -3.413 8.188 -6.201 1.00 0.00 H new ATOM 274 N THR A 21 3.811 9.017 -3.461 1.00 0.00 N ATOM 275 CA THR A 21 4.700 8.482 -2.435 1.00 0.00 C ATOM 276 C THR A 21 3.928 8.164 -1.159 1.00 0.00 C ATOM 277 O THR A 21 3.130 8.973 -0.686 1.00 0.00 O ATOM 278 CB THR A 21 5.820 9.479 -2.132 1.00 0.00 C ATOM 279 OG1 THR A 21 5.303 10.639 -1.506 1.00 0.00 O ATOM 280 CG2 THR A 21 6.577 9.923 -3.366 1.00 0.00 C ATOM 0 H THR A 21 3.779 10.036 -3.503 1.00 0.00 H new ATOM 0 HA THR A 21 5.137 7.558 -2.813 1.00 0.00 H new ATOM 0 HB THR A 21 6.508 8.948 -1.474 1.00 0.00 H new ATOM 0 HG1 THR A 21 6.035 11.263 -1.319 1.00 0.00 H new ATOM 0 HG21 THR A 21 7.357 10.629 -3.080 1.00 0.00 H new ATOM 0 HG22 THR A 21 7.031 9.056 -3.846 1.00 0.00 H new ATOM 0 HG23 THR A 21 5.889 10.404 -4.061 1.00 0.00 H new ATOM 288 N GLY A 22 4.171 6.979 -0.608 1.00 0.00 N ATOM 289 CA GLY A 22 3.491 6.575 0.609 1.00 0.00 C ATOM 290 C GLY A 22 4.286 5.561 1.408 1.00 0.00 C ATOM 291 O GLY A 22 5.146 4.869 0.865 1.00 0.00 O ATOM 0 H GLY A 22 4.826 6.292 -0.982 1.00 0.00 H new ATOM 0 HA2 GLY A 22 3.305 7.454 1.226 1.00 0.00 H new ATOM 0 HA3 GLY A 22 2.519 6.152 0.355 1.00 0.00 H new ATOM 295 N VAL A 23 3.998 5.475 2.703 1.00 0.00 N ATOM 296 CA VAL A 23 4.693 4.539 3.579 1.00 0.00 C ATOM 297 C VAL A 23 3.977 3.194 3.626 1.00 0.00 C ATOM 298 O VAL A 23 2.746 3.135 3.658 1.00 0.00 O ATOM 299 CB VAL A 23 4.813 5.094 5.011 1.00 0.00 C ATOM 300 CG1 VAL A 23 5.709 4.201 5.857 1.00 0.00 C ATOM 301 CG2 VAL A 23 5.337 6.521 4.989 1.00 0.00 C ATOM 0 H VAL A 23 3.289 6.042 3.168 1.00 0.00 H new ATOM 0 HA VAL A 23 5.692 4.401 3.165 1.00 0.00 H new ATOM 0 HB VAL A 23 3.820 5.104 5.461 1.00 0.00 H new ATOM 0 HG11 VAL A 23 5.782 4.609 6.865 1.00 0.00 H new ATOM 0 HG12 VAL A 23 5.285 3.198 5.901 1.00 0.00 H new ATOM 0 HG13 VAL A 23 6.703 4.156 5.411 1.00 0.00 H new ATOM 0 HG21 VAL A 23 5.415 6.896 6.010 1.00 0.00 H new ATOM 0 HG22 VAL A 23 6.320 6.540 4.519 1.00 0.00 H new ATOM 0 HG23 VAL A 23 4.652 7.151 4.422 1.00 0.00 H new ATOM 311 N VAL A 24 4.753 2.116 3.630 1.00 0.00 N ATOM 312 CA VAL A 24 4.192 0.770 3.673 1.00 0.00 C ATOM 313 C VAL A 24 3.545 0.488 5.025 1.00 0.00 C ATOM 314 O VAL A 24 4.168 0.668 6.072 1.00 0.00 O ATOM 315 CB VAL A 24 5.268 -0.297 3.400 1.00 0.00 C ATOM 316 CG1 VAL A 24 4.633 -1.671 3.252 1.00 0.00 C ATOM 317 CG2 VAL A 24 6.073 0.063 2.161 1.00 0.00 C ATOM 0 H VAL A 24 5.772 2.147 3.604 1.00 0.00 H new ATOM 0 HA VAL A 24 3.434 0.719 2.891 1.00 0.00 H new ATOM 0 HB VAL A 24 5.948 -0.327 4.251 1.00 0.00 H new ATOM 0 HG11 VAL A 24 5.409 -2.412 3.060 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.105 -1.929 4.170 1.00 0.00 H new ATOM 0 HG13 VAL A 24 3.929 -1.659 2.420 1.00 0.00 H new ATOM 0 HG21 VAL A 24 6.829 -0.702 1.983 1.00 0.00 H new ATOM 0 HG22 VAL A 24 5.408 0.123 1.300 1.00 0.00 H new ATOM 0 HG23 VAL A 24 6.560 1.026 2.311 1.00 0.00 H new ATOM 327 N ARG A 25 2.293 0.044 4.995 1.00 0.00 N ATOM 328 CA ARG A 25 1.561 -0.264 6.218 1.00 0.00 C ATOM 329 C ARG A 25 1.339 -1.766 6.356 1.00 0.00 C ATOM 330 O ARG A 25 1.288 -2.296 7.466 1.00 0.00 O ATOM 331 CB ARG A 25 0.216 0.464 6.229 1.00 0.00 C ATOM 332 CG ARG A 25 0.284 1.861 6.828 1.00 0.00 C ATOM 333 CD ARG A 25 0.014 1.841 8.325 1.00 0.00 C ATOM 334 NE ARG A 25 -0.982 2.836 8.715 1.00 0.00 N ATOM 335 CZ ARG A 25 -0.724 4.138 8.827 1.00 0.00 C ATOM 336 NH1 ARG A 25 0.493 4.604 8.581 1.00 0.00 N ATOM 337 NH2 ARG A 25 -1.689 4.975 9.187 1.00 0.00 N ATOM 0 H ARG A 25 1.764 -0.111 4.137 1.00 0.00 H new ATOM 0 HA ARG A 25 2.158 0.076 7.064 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -0.158 0.534 5.208 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -0.504 -0.129 6.793 1.00 0.00 H new ATOM 0 HG2 ARG A 25 1.268 2.291 6.641 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -0.444 2.505 6.335 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -0.330 0.849 8.618 1.00 0.00 H new ATOM 0 HD3 ARG A 25 0.943 2.028 8.863 1.00 0.00 H new ATOM 0 HE ARG A 25 -1.930 2.515 8.913 1.00 0.00 H new ATOM 0 HH11 ARG A 25 1.238 3.964 8.304 1.00 0.00 H new ATOM 0 HH12 ARG A 25 0.684 5.602 8.668 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -2.626 4.621 9.377 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -1.493 5.972 9.273 1.00 0.00 H new ATOM 351 N TYR A 26 1.208 -2.447 5.222 1.00 0.00 N ATOM 352 CA TYR A 26 0.992 -3.890 5.218 1.00 0.00 C ATOM 353 C TYR A 26 1.903 -4.574 4.205 1.00 0.00 C ATOM 354 O TYR A 26 2.089 -4.083 3.091 1.00 0.00 O ATOM 355 CB TYR A 26 -0.471 -4.205 4.901 1.00 0.00 C ATOM 356 CG TYR A 26 -0.941 -5.528 5.462 1.00 0.00 C ATOM 357 CD1 TYR A 26 -0.875 -5.790 6.826 1.00 0.00 C ATOM 358 CD2 TYR A 26 -1.449 -6.517 4.630 1.00 0.00 C ATOM 359 CE1 TYR A 26 -1.303 -6.997 7.343 1.00 0.00 C ATOM 360 CE2 TYR A 26 -1.880 -7.727 5.139 1.00 0.00 C ATOM 361 CZ TYR A 26 -1.804 -7.962 6.495 1.00 0.00 C ATOM 362 OH TYR A 26 -2.231 -9.166 7.005 1.00 0.00 O ATOM 0 H TYR A 26 1.248 -2.024 4.295 1.00 0.00 H new ATOM 0 HA TYR A 26 1.233 -4.272 6.210 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -1.100 -3.408 5.298 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -0.607 -4.210 3.819 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -0.482 -5.037 7.493 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -1.508 -6.337 3.567 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -1.246 -7.184 8.405 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -2.274 -8.485 4.478 1.00 0.00 H new ATOM 0 HH TYR A 26 -2.556 -9.734 6.275 1.00 0.00 H new ATOM 372 N VAL A 27 2.469 -5.710 4.599 1.00 0.00 N ATOM 373 CA VAL A 27 3.362 -6.463 3.725 1.00 0.00 C ATOM 374 C VAL A 27 3.147 -7.965 3.881 1.00 0.00 C ATOM 375 O VAL A 27 2.992 -8.467 4.994 1.00 0.00 O ATOM 376 CB VAL A 27 4.838 -6.135 4.015 1.00 0.00 C ATOM 377 CG1 VAL A 27 5.744 -6.775 2.974 1.00 0.00 C ATOM 378 CG2 VAL A 27 5.051 -4.630 4.064 1.00 0.00 C ATOM 0 H VAL A 27 2.325 -6.130 5.518 1.00 0.00 H new ATOM 0 HA VAL A 27 3.126 -6.169 2.702 1.00 0.00 H new ATOM 0 HB VAL A 27 5.097 -6.548 4.990 1.00 0.00 H new ATOM 0 HG11 VAL A 27 6.783 -6.531 3.197 1.00 0.00 H new ATOM 0 HG12 VAL A 27 5.613 -7.857 2.993 1.00 0.00 H new ATOM 0 HG13 VAL A 27 5.486 -6.396 1.985 1.00 0.00 H new ATOM 0 HG21 VAL A 27 6.100 -4.418 4.270 1.00 0.00 H new ATOM 0 HG22 VAL A 27 4.774 -4.192 3.105 1.00 0.00 H new ATOM 0 HG23 VAL A 27 4.432 -4.200 4.852 1.00 0.00 H new ATOM 388 N GLY A 28 3.138 -8.676 2.759 1.00 0.00 N ATOM 389 CA GLY A 28 2.941 -10.115 2.792 1.00 0.00 C ATOM 390 C GLY A 28 1.800 -10.566 1.901 1.00 0.00 C ATOM 391 O GLY A 28 1.590 -10.012 0.822 1.00 0.00 O ATOM 0 H GLY A 28 3.264 -8.282 1.826 1.00 0.00 H new ATOM 0 HA2 GLY A 28 3.860 -10.611 2.479 1.00 0.00 H new ATOM 0 HA3 GLY A 28 2.743 -10.428 3.817 1.00 0.00 H new ATOM 395 N GLU A 29 1.062 -11.575 2.353 1.00 0.00 N ATOM 396 CA GLU A 29 -0.063 -12.101 1.590 1.00 0.00 C ATOM 397 C GLU A 29 -1.364 -11.414 1.994 1.00 0.00 C ATOM 398 O GLU A 29 -1.365 -10.508 2.827 1.00 0.00 O ATOM 399 CB GLU A 29 -0.185 -13.612 1.795 1.00 0.00 C ATOM 400 CG GLU A 29 1.016 -14.395 1.290 1.00 0.00 C ATOM 401 CD GLU A 29 0.784 -15.893 1.306 1.00 0.00 C ATOM 402 OE1 GLU A 29 0.321 -16.410 2.345 1.00 0.00 O ATOM 403 OE2 GLU A 29 1.063 -16.549 0.282 1.00 0.00 O ATOM 0 H GLU A 29 1.223 -12.044 3.244 1.00 0.00 H new ATOM 0 HA GLU A 29 0.121 -11.899 0.535 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -0.320 -13.816 2.857 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -1.080 -13.968 1.285 1.00 0.00 H new ATOM 0 HG2 GLU A 29 1.250 -14.078 0.274 1.00 0.00 H new ATOM 0 HG3 GLU A 29 1.884 -14.159 1.906 1.00 0.00 H new ATOM 410 N THR A 30 -2.468 -11.853 1.401 1.00 0.00 N ATOM 411 CA THR A 30 -3.776 -11.280 1.700 1.00 0.00 C ATOM 412 C THR A 30 -4.823 -12.377 1.871 1.00 0.00 C ATOM 413 O THR A 30 -4.513 -13.565 1.783 1.00 0.00 O ATOM 414 CB THR A 30 -4.203 -10.320 0.590 1.00 0.00 C ATOM 415 OG1 THR A 30 -3.814 -10.816 -0.679 1.00 0.00 O ATOM 416 CG2 THR A 30 -3.615 -8.934 0.739 1.00 0.00 C ATOM 0 H THR A 30 -2.484 -12.604 0.711 1.00 0.00 H new ATOM 0 HA THR A 30 -3.697 -10.727 2.636 1.00 0.00 H new ATOM 0 HB THR A 30 -5.288 -10.249 0.672 1.00 0.00 H new ATOM 0 HG1 THR A 30 -4.279 -11.660 -0.857 1.00 0.00 H new ATOM 0 HG21 THR A 30 -3.958 -8.303 -0.081 1.00 0.00 H new ATOM 0 HG22 THR A 30 -3.936 -8.503 1.687 1.00 0.00 H new ATOM 0 HG23 THR A 30 -2.527 -8.996 0.718 1.00 0.00 H new ATOM 424 N ASP A 31 -6.065 -11.968 2.117 1.00 0.00 N ATOM 425 CA ASP A 31 -7.159 -12.916 2.299 1.00 0.00 C ATOM 426 C ASP A 31 -8.215 -12.743 1.212 1.00 0.00 C ATOM 427 O ASP A 31 -9.402 -12.973 1.445 1.00 0.00 O ATOM 428 CB ASP A 31 -7.795 -12.732 3.678 1.00 0.00 C ATOM 429 CG ASP A 31 -6.915 -13.255 4.796 1.00 0.00 C ATOM 430 OD1 ASP A 31 -7.018 -14.457 5.121 1.00 0.00 O ATOM 431 OD2 ASP A 31 -6.121 -12.463 5.346 1.00 0.00 O ATOM 0 H ASP A 31 -6.338 -10.988 2.195 1.00 0.00 H new ATOM 0 HA ASP A 31 -6.750 -13.924 2.226 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -7.997 -11.674 3.843 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -8.755 -13.248 3.704 1.00 0.00 H new ATOM 436 N PHE A 32 -7.775 -12.338 0.026 1.00 0.00 N ATOM 437 CA PHE A 32 -8.684 -12.136 -1.097 1.00 0.00 C ATOM 438 C PHE A 32 -8.005 -12.491 -2.417 1.00 0.00 C ATOM 439 O PHE A 32 -8.575 -13.197 -3.249 1.00 0.00 O ATOM 440 CB PHE A 32 -9.169 -10.686 -1.134 1.00 0.00 C ATOM 441 CG PHE A 32 -8.066 -9.688 -1.345 1.00 0.00 C ATOM 442 CD1 PHE A 32 -7.379 -9.157 -0.266 1.00 0.00 C ATOM 443 CD2 PHE A 32 -7.718 -9.281 -2.623 1.00 0.00 C ATOM 444 CE1 PHE A 32 -6.364 -8.238 -0.457 1.00 0.00 C ATOM 445 CE2 PHE A 32 -6.704 -8.363 -2.821 1.00 0.00 C ATOM 446 CZ PHE A 32 -6.026 -7.840 -1.736 1.00 0.00 C ATOM 0 H PHE A 32 -6.796 -12.143 -0.183 1.00 0.00 H new ATOM 0 HA PHE A 32 -9.542 -12.795 -0.961 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -9.903 -10.578 -1.932 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -9.679 -10.458 -0.198 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -7.639 -9.464 0.736 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -8.245 -9.686 -3.474 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -5.836 -7.832 0.393 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -6.442 -8.055 -3.822 1.00 0.00 H new ATOM 0 HZ PHE A 32 -5.234 -7.122 -1.888 1.00 0.00 H new ATOM 456 N ALA A 33 -6.786 -11.996 -2.602 1.00 0.00 N ATOM 457 CA ALA A 33 -6.030 -12.262 -3.820 1.00 0.00 C ATOM 458 C ALA A 33 -4.791 -13.102 -3.526 1.00 0.00 C ATOM 459 O ALA A 33 -4.258 -13.072 -2.416 1.00 0.00 O ATOM 460 CB ALA A 33 -5.636 -10.955 -4.491 1.00 0.00 C ATOM 0 H ALA A 33 -6.301 -11.409 -1.924 1.00 0.00 H new ATOM 0 HA ALA A 33 -6.668 -12.829 -4.498 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -5.072 -11.168 -5.399 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -6.534 -10.391 -4.745 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -5.019 -10.368 -3.810 1.00 0.00 H new ATOM 466 N LYS A 34 -4.337 -13.849 -4.526 1.00 0.00 N ATOM 467 CA LYS A 34 -3.161 -14.697 -4.373 1.00 0.00 C ATOM 468 C LYS A 34 -1.881 -13.882 -4.524 1.00 0.00 C ATOM 469 O LYS A 34 -1.924 -12.686 -4.815 1.00 0.00 O ATOM 470 CB LYS A 34 -3.184 -15.827 -5.404 1.00 0.00 C ATOM 471 CG LYS A 34 -3.889 -17.082 -4.913 1.00 0.00 C ATOM 472 CD LYS A 34 -3.503 -18.298 -5.740 1.00 0.00 C ATOM 473 CE LYS A 34 -4.684 -19.235 -5.938 1.00 0.00 C ATOM 474 NZ LYS A 34 -4.276 -20.665 -5.866 1.00 0.00 N ATOM 0 H LYS A 34 -4.765 -13.885 -5.451 1.00 0.00 H new ATOM 0 HA LYS A 34 -3.181 -15.127 -3.372 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -3.678 -15.473 -6.309 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -2.160 -16.079 -5.678 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -3.636 -17.257 -3.867 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -4.968 -16.936 -4.960 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -3.127 -17.975 -6.711 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -2.692 -18.833 -5.246 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -5.438 -19.034 -5.177 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -5.146 -19.037 -6.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -5.109 -21.271 -6.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -3.575 -20.864 -6.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -3.858 -20.860 -4.934 1.00 0.00 H new ATOM 488 N GLY A 35 -0.742 -14.536 -4.322 1.00 0.00 N ATOM 489 CA GLY A 35 0.534 -13.856 -4.439 1.00 0.00 C ATOM 490 C GLY A 35 0.873 -13.046 -3.203 1.00 0.00 C ATOM 491 O GLY A 35 0.717 -13.521 -2.078 1.00 0.00 O ATOM 0 H GLY A 35 -0.680 -15.525 -4.079 1.00 0.00 H new ATOM 0 HA2 GLY A 35 1.319 -14.591 -4.615 1.00 0.00 H new ATOM 0 HA3 GLY A 35 0.513 -13.197 -5.307 1.00 0.00 H new ATOM 495 N GLU A 36 1.341 -11.819 -3.412 1.00 0.00 N ATOM 496 CA GLU A 36 1.703 -10.941 -2.305 1.00 0.00 C ATOM 497 C GLU A 36 1.393 -9.486 -2.641 1.00 0.00 C ATOM 498 O GLU A 36 1.702 -9.011 -3.733 1.00 0.00 O ATOM 499 CB GLU A 36 3.187 -11.095 -1.969 1.00 0.00 C ATOM 500 CG GLU A 36 3.467 -12.176 -0.937 1.00 0.00 C ATOM 501 CD GLU A 36 4.925 -12.222 -0.522 1.00 0.00 C ATOM 502 OE1 GLU A 36 5.446 -11.181 -0.070 1.00 0.00 O ATOM 503 OE2 GLU A 36 5.544 -13.298 -0.651 1.00 0.00 O ATOM 0 H GLU A 36 1.478 -11.411 -4.337 1.00 0.00 H new ATOM 0 HA GLU A 36 1.110 -11.228 -1.437 1.00 0.00 H new ATOM 0 HB2 GLU A 36 3.736 -11.325 -2.882 1.00 0.00 H new ATOM 0 HB3 GLU A 36 3.568 -10.143 -1.599 1.00 0.00 H new ATOM 0 HG2 GLU A 36 2.848 -12.002 -0.057 1.00 0.00 H new ATOM 0 HG3 GLU A 36 3.178 -13.145 -1.344 1.00 0.00 H new ATOM 510 N TRP A 37 0.780 -8.783 -1.694 1.00 0.00 N ATOM 511 CA TRP A 37 0.428 -7.381 -1.888 1.00 0.00 C ATOM 512 C TRP A 37 1.009 -6.515 -0.776 1.00 0.00 C ATOM 513 O TRP A 37 1.338 -7.008 0.303 1.00 0.00 O ATOM 514 CB TRP A 37 -1.093 -7.218 -1.934 1.00 0.00 C ATOM 515 CG TRP A 37 -1.740 -7.994 -3.041 1.00 0.00 C ATOM 516 CD1 TRP A 37 -1.832 -9.352 -3.144 1.00 0.00 C ATOM 517 CD2 TRP A 37 -2.384 -7.458 -4.202 1.00 0.00 C ATOM 518 NE1 TRP A 37 -2.496 -9.693 -4.298 1.00 0.00 N ATOM 519 CE2 TRP A 37 -2.844 -8.548 -4.965 1.00 0.00 C ATOM 520 CE3 TRP A 37 -2.617 -6.162 -4.671 1.00 0.00 C ATOM 521 CZ2 TRP A 37 -3.523 -8.380 -6.170 1.00 0.00 C ATOM 522 CZ3 TRP A 37 -3.292 -5.997 -5.867 1.00 0.00 C ATOM 523 CH2 TRP A 37 -3.737 -7.101 -6.603 1.00 0.00 C ATOM 0 H TRP A 37 0.517 -9.162 -0.784 1.00 0.00 H new ATOM 0 HA TRP A 37 0.852 -7.054 -2.838 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -1.515 -7.538 -0.981 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -1.335 -6.162 -2.051 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -1.440 -10.055 -2.424 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -2.697 -10.644 -4.608 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -2.276 -5.305 -4.110 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -3.868 -9.229 -6.741 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -3.479 -5.000 -6.239 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -4.261 -6.939 -7.533 1.00 0.00 H new ATOM 534 N CYS A 38 1.134 -5.219 -1.046 1.00 0.00 N ATOM 535 CA CYS A 38 1.676 -4.283 -0.068 1.00 0.00 C ATOM 536 C CYS A 38 0.789 -3.047 0.053 1.00 0.00 C ATOM 537 O CYS A 38 0.591 -2.317 -0.917 1.00 0.00 O ATOM 538 CB CYS A 38 3.099 -3.873 -0.457 1.00 0.00 C ATOM 539 SG CYS A 38 4.350 -4.286 0.783 1.00 0.00 S ATOM 0 H CYS A 38 0.867 -4.794 -1.934 1.00 0.00 H new ATOM 0 HA CYS A 38 1.703 -4.782 0.901 1.00 0.00 H new ATOM 0 HB2 CYS A 38 3.361 -4.357 -1.398 1.00 0.00 H new ATOM 0 HB3 CYS A 38 3.120 -2.798 -0.635 1.00 0.00 H new ATOM 0 HG CYS A 38 5.209 -3.314 0.873 1.00 0.00 H new ATOM 545 N GLY A 39 0.259 -2.820 1.250 1.00 0.00 N ATOM 546 CA GLY A 39 -0.600 -1.673 1.475 1.00 0.00 C ATOM 547 C GLY A 39 0.186 -0.407 1.760 1.00 0.00 C ATOM 548 O GLY A 39 0.852 -0.301 2.789 1.00 0.00 O ATOM 0 H GLY A 39 0.409 -3.410 2.068 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.229 -1.517 0.599 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -1.266 -1.880 2.313 1.00 0.00 H new ATOM 552 N VAL A 40 0.107 0.553 0.845 1.00 0.00 N ATOM 553 CA VAL A 40 0.817 1.817 1.002 1.00 0.00 C ATOM 554 C VAL A 40 -0.109 2.905 1.539 1.00 0.00 C ATOM 555 O VAL A 40 -1.295 2.940 1.215 1.00 0.00 O ATOM 556 CB VAL A 40 1.423 2.289 -0.333 1.00 0.00 C ATOM 557 CG1 VAL A 40 2.319 3.498 -0.115 1.00 0.00 C ATOM 558 CG2 VAL A 40 2.191 1.159 -0.999 1.00 0.00 C ATOM 0 H VAL A 40 -0.441 0.480 -0.012 1.00 0.00 H new ATOM 0 HA VAL A 40 1.621 1.642 1.717 1.00 0.00 H new ATOM 0 HB VAL A 40 0.610 2.584 -0.996 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.738 3.817 -1.069 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.734 4.311 0.315 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.128 3.233 0.566 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.612 1.511 -1.941 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.996 0.830 -0.342 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.516 0.325 -1.192 1.00 0.00 H new ATOM 568 N GLU A 41 0.444 3.790 2.361 1.00 0.00 N ATOM 569 CA GLU A 41 -0.331 4.880 2.944 1.00 0.00 C ATOM 570 C GLU A 41 0.082 6.221 2.345 1.00 0.00 C ATOM 571 O GLU A 41 1.210 6.675 2.535 1.00 0.00 O ATOM 572 CB GLU A 41 -0.149 4.908 4.463 1.00 0.00 C ATOM 573 CG GLU A 41 -1.074 5.887 5.168 1.00 0.00 C ATOM 574 CD GLU A 41 -0.395 7.205 5.484 1.00 0.00 C ATOM 575 OE1 GLU A 41 -0.423 8.108 4.623 1.00 0.00 O ATOM 576 OE2 GLU A 41 0.164 7.334 6.593 1.00 0.00 O ATOM 0 H GLU A 41 1.425 3.774 2.639 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.383 4.708 2.715 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -0.322 3.908 4.860 1.00 0.00 H new ATOM 0 HB3 GLU A 41 0.884 5.168 4.692 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.946 6.073 4.541 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -1.436 5.438 6.093 1.00 0.00 H new ATOM 583 N LEU A 42 -0.839 6.848 1.622 1.00 0.00 N ATOM 584 CA LEU A 42 -0.570 8.138 0.995 1.00 0.00 C ATOM 585 C LEU A 42 -1.003 9.285 1.902 1.00 0.00 C ATOM 586 O LEU A 42 -2.006 9.186 2.608 1.00 0.00 O ATOM 587 CB LEU A 42 -1.294 8.236 -0.350 1.00 0.00 C ATOM 588 CG LEU A 42 -0.910 7.164 -1.371 1.00 0.00 C ATOM 589 CD1 LEU A 42 -1.868 7.184 -2.552 1.00 0.00 C ATOM 590 CD2 LEU A 42 0.523 7.366 -1.842 1.00 0.00 C ATOM 0 H LEU A 42 -1.778 6.485 1.455 1.00 0.00 H new ATOM 0 HA LEU A 42 0.504 8.215 0.829 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.368 8.179 -0.172 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -1.094 9.216 -0.782 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.980 6.189 -0.889 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -1.579 6.415 -3.268 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -2.882 6.991 -2.201 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -1.831 8.161 -3.034 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.780 6.595 -2.568 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.618 8.347 -2.306 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.199 7.301 -0.989 1.00 0.00 H new ATOM 602 N ASP A 43 -0.238 10.372 1.878 1.00 0.00 N ATOM 603 CA ASP A 43 -0.542 11.538 2.699 1.00 0.00 C ATOM 604 C ASP A 43 -1.783 12.259 2.181 1.00 0.00 C ATOM 605 O ASP A 43 -2.611 12.729 2.962 1.00 0.00 O ATOM 606 CB ASP A 43 0.649 12.499 2.718 1.00 0.00 C ATOM 607 CG ASP A 43 1.666 12.136 3.782 1.00 0.00 C ATOM 608 OD1 ASP A 43 2.103 10.966 3.812 1.00 0.00 O ATOM 609 OD2 ASP A 43 2.026 13.022 4.586 1.00 0.00 O ATOM 0 H ASP A 43 0.596 10.469 1.299 1.00 0.00 H new ATOM 0 HA ASP A 43 -0.740 11.195 3.715 1.00 0.00 H new ATOM 0 HB2 ASP A 43 1.132 12.495 1.741 1.00 0.00 H new ATOM 0 HB3 ASP A 43 0.291 13.514 2.892 1.00 0.00 H new ATOM 614 N GLU A 44 -1.905 12.341 0.861 1.00 0.00 N ATOM 615 CA GLU A 44 -3.045 13.004 0.238 1.00 0.00 C ATOM 616 C GLU A 44 -4.165 12.006 -0.048 1.00 0.00 C ATOM 617 O GLU A 44 -3.910 10.828 -0.296 1.00 0.00 O ATOM 618 CB GLU A 44 -2.616 13.692 -1.059 1.00 0.00 C ATOM 619 CG GLU A 44 -1.779 14.941 -0.836 1.00 0.00 C ATOM 620 CD GLU A 44 -2.625 16.191 -0.691 1.00 0.00 C ATOM 621 OE1 GLU A 44 -3.320 16.553 -1.663 1.00 0.00 O ATOM 622 OE2 GLU A 44 -2.592 16.807 0.394 1.00 0.00 O ATOM 0 H GLU A 44 -1.229 11.957 0.201 1.00 0.00 H new ATOM 0 HA GLU A 44 -3.420 13.756 0.932 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -2.047 12.986 -1.664 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -3.505 13.958 -1.631 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -1.172 14.812 0.060 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -1.091 15.067 -1.672 1.00 0.00 H new ATOM 629 N PRO A 45 -5.427 12.468 -0.018 1.00 0.00 N ATOM 630 CA PRO A 45 -6.588 11.610 -0.277 1.00 0.00 C ATOM 631 C PRO A 45 -6.676 11.178 -1.737 1.00 0.00 C ATOM 632 O PRO A 45 -7.537 11.644 -2.483 1.00 0.00 O ATOM 633 CB PRO A 45 -7.778 12.500 0.092 1.00 0.00 C ATOM 634 CG PRO A 45 -7.281 13.891 -0.093 1.00 0.00 C ATOM 635 CD PRO A 45 -5.822 13.861 0.269 1.00 0.00 C ATOM 0 HA PRO A 45 -6.542 10.681 0.291 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -8.637 12.298 -0.548 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -8.098 12.327 1.119 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -7.421 14.222 -1.122 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -7.827 14.588 0.543 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -5.246 14.572 -0.323 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -5.663 14.116 1.317 1.00 0.00 H new ATOM 643 N LEU A 46 -5.778 10.285 -2.138 1.00 0.00 N ATOM 644 CA LEU A 46 -5.753 9.788 -3.510 1.00 0.00 C ATOM 645 C LEU A 46 -5.819 8.265 -3.537 1.00 0.00 C ATOM 646 O LEU A 46 -5.271 7.626 -4.437 1.00 0.00 O ATOM 647 CB LEU A 46 -4.489 10.270 -4.225 1.00 0.00 C ATOM 648 CG LEU A 46 -4.420 11.778 -4.475 1.00 0.00 C ATOM 649 CD1 LEU A 46 -2.974 12.237 -4.573 1.00 0.00 C ATOM 650 CD2 LEU A 46 -5.184 12.142 -5.739 1.00 0.00 C ATOM 0 H LEU A 46 -5.058 9.890 -1.533 1.00 0.00 H new ATOM 0 HA LEU A 46 -6.627 10.180 -4.030 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.621 9.975 -3.635 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -4.413 9.755 -5.183 1.00 0.00 H new ATOM 0 HG LEU A 46 -4.885 12.290 -3.632 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.945 13.312 -4.751 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.456 12.009 -3.641 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.483 11.719 -5.397 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -5.125 13.218 -5.903 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -4.747 11.621 -6.591 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -6.228 11.848 -5.630 1.00 0.00 H new ATOM 662 N GLY A 47 -6.491 7.688 -2.547 1.00 0.00 N ATOM 663 CA GLY A 47 -6.616 6.245 -2.477 1.00 0.00 C ATOM 664 C GLY A 47 -8.019 5.767 -2.799 1.00 0.00 C ATOM 665 O GLY A 47 -8.901 6.571 -3.100 1.00 0.00 O ATOM 0 H GLY A 47 -6.952 8.195 -1.791 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -5.912 5.788 -3.172 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -6.341 5.908 -1.478 1.00 0.00 H new ATOM 669 N LYS A 48 -8.224 4.455 -2.735 1.00 0.00 N ATOM 670 CA LYS A 48 -9.530 3.872 -3.024 1.00 0.00 C ATOM 671 C LYS A 48 -10.138 3.250 -1.771 1.00 0.00 C ATOM 672 O LYS A 48 -11.352 3.295 -1.571 1.00 0.00 O ATOM 673 CB LYS A 48 -9.408 2.817 -4.124 1.00 0.00 C ATOM 674 CG LYS A 48 -9.186 3.403 -5.508 1.00 0.00 C ATOM 675 CD LYS A 48 -10.498 3.581 -6.255 1.00 0.00 C ATOM 676 CE LYS A 48 -10.508 4.866 -7.067 1.00 0.00 C ATOM 677 NZ LYS A 48 -10.662 6.069 -6.201 1.00 0.00 N ATOM 0 H LYS A 48 -7.504 3.777 -2.486 1.00 0.00 H new ATOM 0 HA LYS A 48 -10.189 4.670 -3.367 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.581 2.149 -3.885 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -10.314 2.211 -4.136 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.683 4.366 -5.420 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -8.527 2.750 -6.079 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -10.659 2.730 -6.917 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -11.324 3.593 -5.544 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -9.581 4.944 -7.635 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -11.323 4.832 -7.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -10.817 6.908 -6.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -11.476 5.939 -5.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -9.800 6.201 -5.634 1.00 0.00 H new ATOM 691 N ASN A 49 -9.288 2.671 -0.930 1.00 0.00 N ATOM 692 CA ASN A 49 -9.743 2.040 0.304 1.00 0.00 C ATOM 693 C ASN A 49 -8.987 2.591 1.508 1.00 0.00 C ATOM 694 O ASN A 49 -8.138 3.472 1.371 1.00 0.00 O ATOM 695 CB ASN A 49 -9.561 0.523 0.222 1.00 0.00 C ATOM 696 CG ASN A 49 -10.771 -0.174 -0.366 1.00 0.00 C ATOM 697 OD1 ASN A 49 -11.872 -0.098 0.180 1.00 0.00 O ATOM 698 ND2 ASN A 49 -10.573 -0.860 -1.485 1.00 0.00 N ATOM 0 H ASN A 49 -8.280 2.625 -1.080 1.00 0.00 H new ATOM 0 HA ASN A 49 -10.802 2.266 0.430 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -8.685 0.297 -0.386 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -9.367 0.129 1.220 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -11.350 -1.351 -1.927 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -9.643 -0.896 -1.903 1.00 0.00 H new ATOM 705 N ASP A 50 -9.300 2.066 2.688 1.00 0.00 N ATOM 706 CA ASP A 50 -8.650 2.504 3.918 1.00 0.00 C ATOM 707 C ASP A 50 -7.993 1.329 4.634 1.00 0.00 C ATOM 708 O ASP A 50 -7.980 1.266 5.863 1.00 0.00 O ATOM 709 CB ASP A 50 -9.665 3.178 4.843 1.00 0.00 C ATOM 710 CG ASP A 50 -10.848 2.283 5.154 1.00 0.00 C ATOM 711 OD1 ASP A 50 -10.712 1.403 6.030 1.00 0.00 O ATOM 712 OD2 ASP A 50 -11.910 2.462 4.522 1.00 0.00 O ATOM 0 H ASP A 50 -10.000 1.336 2.819 1.00 0.00 H new ATOM 0 HA ASP A 50 -7.875 3.224 3.654 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -9.173 3.461 5.773 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -10.021 4.098 4.378 1.00 0.00 H new ATOM 717 N GLY A 51 -7.448 0.399 3.857 1.00 0.00 N ATOM 718 CA GLY A 51 -6.796 -0.762 4.434 1.00 0.00 C ATOM 719 C GLY A 51 -7.787 -1.814 4.894 1.00 0.00 C ATOM 720 O GLY A 51 -7.510 -2.573 5.821 1.00 0.00 O ATOM 0 H GLY A 51 -7.446 0.429 2.837 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -6.122 -1.200 3.698 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -6.184 -0.449 5.280 1.00 0.00 H new ATOM 724 N ALA A 52 -8.945 -1.858 4.241 1.00 0.00 N ATOM 725 CA ALA A 52 -9.980 -2.824 4.588 1.00 0.00 C ATOM 726 C ALA A 52 -10.563 -3.476 3.338 1.00 0.00 C ATOM 727 O ALA A 52 -11.289 -2.838 2.576 1.00 0.00 O ATOM 728 CB ALA A 52 -11.079 -2.151 5.396 1.00 0.00 C ATOM 0 H ALA A 52 -9.189 -1.236 3.470 1.00 0.00 H new ATOM 0 HA ALA A 52 -9.525 -3.606 5.195 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -11.846 -2.884 5.649 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -10.656 -1.738 6.312 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -11.524 -1.349 4.807 1.00 0.00 H new ATOM 734 N VAL A 53 -10.241 -4.748 3.136 1.00 0.00 N ATOM 735 CA VAL A 53 -10.734 -5.487 1.979 1.00 0.00 C ATOM 736 C VAL A 53 -11.885 -6.408 2.365 1.00 0.00 C ATOM 737 O VAL A 53 -11.716 -7.327 3.168 1.00 0.00 O ATOM 738 CB VAL A 53 -9.616 -6.324 1.329 1.00 0.00 C ATOM 739 CG1 VAL A 53 -10.094 -6.924 0.016 1.00 0.00 C ATOM 740 CG2 VAL A 53 -8.371 -5.479 1.116 1.00 0.00 C ATOM 0 H VAL A 53 -9.641 -5.290 3.758 1.00 0.00 H new ATOM 0 HA VAL A 53 -11.089 -4.749 1.260 1.00 0.00 H new ATOM 0 HB VAL A 53 -9.360 -7.141 2.003 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -9.291 -7.512 -0.429 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -10.955 -7.567 0.202 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -10.379 -6.124 -0.667 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -7.592 -6.088 0.656 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -8.609 -4.639 0.463 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -8.018 -5.103 2.076 1.00 0.00 H new ATOM 750 N ALA A 54 -13.055 -6.158 1.789 1.00 0.00 N ATOM 751 CA ALA A 54 -14.236 -6.966 2.072 1.00 0.00 C ATOM 752 C ALA A 54 -14.606 -6.900 3.550 1.00 0.00 C ATOM 753 O ALA A 54 -15.164 -7.848 4.103 1.00 0.00 O ATOM 754 CB ALA A 54 -14.002 -8.408 1.649 1.00 0.00 C ATOM 0 H ALA A 54 -13.212 -5.402 1.123 1.00 0.00 H new ATOM 0 HA ALA A 54 -15.069 -6.560 1.498 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -14.891 -9.000 1.866 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -13.794 -8.444 0.580 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -13.153 -8.815 2.198 1.00 0.00 H new ATOM 760 N GLY A 55 -14.291 -5.776 4.185 1.00 0.00 N ATOM 761 CA GLY A 55 -14.598 -5.608 5.594 1.00 0.00 C ATOM 762 C GLY A 55 -13.420 -5.941 6.489 1.00 0.00 C ATOM 763 O GLY A 55 -13.293 -5.399 7.587 1.00 0.00 O ATOM 0 H GLY A 55 -13.829 -4.978 3.749 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -14.908 -4.579 5.775 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -15.442 -6.246 5.857 1.00 0.00 H new ATOM 767 N THR A 56 -12.556 -6.835 6.019 1.00 0.00 N ATOM 768 CA THR A 56 -11.382 -7.240 6.785 1.00 0.00 C ATOM 769 C THR A 56 -10.306 -6.161 6.744 1.00 0.00 C ATOM 770 O THR A 56 -9.714 -5.900 5.696 1.00 0.00 O ATOM 771 CB THR A 56 -10.822 -8.556 6.242 1.00 0.00 C ATOM 772 OG1 THR A 56 -11.870 -9.405 5.808 1.00 0.00 O ATOM 773 CG2 THR A 56 -10.002 -9.321 7.258 1.00 0.00 C ATOM 0 H THR A 56 -12.646 -7.293 5.112 1.00 0.00 H new ATOM 0 HA THR A 56 -11.688 -7.383 7.821 1.00 0.00 H new ATOM 0 HB THR A 56 -10.173 -8.274 5.413 1.00 0.00 H new ATOM 0 HG1 THR A 56 -11.492 -10.241 5.463 1.00 0.00 H new ATOM 0 HG21 THR A 56 -9.635 -10.244 6.809 1.00 0.00 H new ATOM 0 HG22 THR A 56 -9.157 -8.711 7.577 1.00 0.00 H new ATOM 0 HG23 THR A 56 -10.623 -9.560 8.121 1.00 0.00 H new ATOM 781 N ARG A 57 -10.058 -5.536 7.891 1.00 0.00 N ATOM 782 CA ARG A 57 -9.052 -4.485 7.986 1.00 0.00 C ATOM 783 C ARG A 57 -7.793 -4.997 8.678 1.00 0.00 C ATOM 784 O ARG A 57 -7.842 -5.450 9.821 1.00 0.00 O ATOM 785 CB ARG A 57 -9.612 -3.281 8.745 1.00 0.00 C ATOM 786 CG ARG A 57 -8.666 -2.091 8.783 1.00 0.00 C ATOM 787 CD ARG A 57 -9.408 -0.776 8.595 1.00 0.00 C ATOM 788 NE ARG A 57 -10.130 -0.376 9.802 1.00 0.00 N ATOM 789 CZ ARG A 57 -11.435 -0.563 9.993 1.00 0.00 C ATOM 790 NH1 ARG A 57 -12.180 -1.149 9.062 1.00 0.00 N ATOM 791 NH2 ARG A 57 -12.001 -0.163 11.125 1.00 0.00 N ATOM 0 H ARG A 57 -10.540 -5.739 8.767 1.00 0.00 H new ATOM 0 HA ARG A 57 -8.788 -4.177 6.974 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -10.550 -2.974 8.282 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -9.845 -3.582 9.766 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -8.137 -2.077 9.736 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -7.914 -2.199 8.002 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -8.698 0.005 8.322 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -10.111 -0.872 7.767 1.00 0.00 H new ATOM 0 HE ARG A 57 -9.599 0.076 10.547 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -11.754 -1.461 8.190 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -13.178 -1.287 9.220 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -11.437 0.286 11.846 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -13.000 -0.305 11.274 1.00 0.00 H new ATOM 805 N TYR A 58 -6.666 -4.924 7.976 1.00 0.00 N ATOM 806 CA TYR A 58 -5.394 -5.382 8.522 1.00 0.00 C ATOM 807 C TYR A 58 -4.688 -4.257 9.274 1.00 0.00 C ATOM 808 O TYR A 58 -4.047 -4.489 10.298 1.00 0.00 O ATOM 809 CB TYR A 58 -4.491 -5.908 7.404 1.00 0.00 C ATOM 810 CG TYR A 58 -5.222 -6.733 6.369 1.00 0.00 C ATOM 811 CD1 TYR A 58 -5.763 -7.971 6.695 1.00 0.00 C ATOM 812 CD2 TYR A 58 -5.372 -6.274 5.066 1.00 0.00 C ATOM 813 CE1 TYR A 58 -6.432 -8.728 5.752 1.00 0.00 C ATOM 814 CE2 TYR A 58 -6.040 -7.026 4.118 1.00 0.00 C ATOM 815 CZ TYR A 58 -6.568 -8.251 4.465 1.00 0.00 C ATOM 816 OH TYR A 58 -7.234 -9.001 3.524 1.00 0.00 O ATOM 0 H TYR A 58 -6.608 -4.552 7.028 1.00 0.00 H new ATOM 0 HA TYR A 58 -5.600 -6.191 9.222 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -4.011 -5.064 6.910 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -3.698 -6.513 7.844 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -5.659 -8.348 7.702 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -4.960 -5.315 4.790 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -6.846 -9.688 6.021 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -6.148 -6.655 3.109 1.00 0.00 H new ATOM 0 HH TYR A 58 -7.242 -8.522 2.669 1.00 0.00 H new ATOM 826 N PHE A 59 -4.810 -3.040 8.756 1.00 0.00 N ATOM 827 CA PHE A 59 -4.184 -1.879 9.378 1.00 0.00 C ATOM 828 C PHE A 59 -5.133 -0.686 9.385 1.00 0.00 C ATOM 829 O PHE A 59 -5.863 -0.455 8.422 1.00 0.00 O ATOM 830 CB PHE A 59 -2.894 -1.515 8.640 1.00 0.00 C ATOM 831 CG PHE A 59 -3.106 -1.167 7.195 1.00 0.00 C ATOM 832 CD1 PHE A 59 -3.390 -2.155 6.266 1.00 0.00 C ATOM 833 CD2 PHE A 59 -3.022 0.147 6.764 1.00 0.00 C ATOM 834 CE1 PHE A 59 -3.587 -1.840 4.935 1.00 0.00 C ATOM 835 CE2 PHE A 59 -3.217 0.469 5.434 1.00 0.00 C ATOM 836 CZ PHE A 59 -3.500 -0.526 4.518 1.00 0.00 C ATOM 0 H PHE A 59 -5.336 -2.832 7.907 1.00 0.00 H new ATOM 0 HA PHE A 59 -3.946 -2.135 10.410 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -2.423 -0.670 9.143 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -2.199 -2.352 8.705 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -3.458 -3.184 6.586 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -2.802 0.929 7.476 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -3.809 -2.620 4.222 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -3.148 1.497 5.111 1.00 0.00 H new ATOM 0 HZ PHE A 59 -3.653 -0.277 3.478 1.00 0.00 H new ATOM 846 N GLN A 60 -5.117 0.069 10.478 1.00 0.00 N ATOM 847 CA GLN A 60 -5.977 1.240 10.611 1.00 0.00 C ATOM 848 C GLN A 60 -5.406 2.424 9.837 1.00 0.00 C ATOM 849 O GLN A 60 -4.312 2.903 10.133 1.00 0.00 O ATOM 850 CB GLN A 60 -6.142 1.612 12.086 1.00 0.00 C ATOM 851 CG GLN A 60 -7.092 2.776 12.318 1.00 0.00 C ATOM 852 CD GLN A 60 -8.537 2.411 12.044 1.00 0.00 C ATOM 853 OE1 GLN A 60 -9.260 1.976 12.940 1.00 0.00 O ATOM 854 NE2 GLN A 60 -8.966 2.585 10.799 1.00 0.00 N ATOM 0 H GLN A 60 -4.518 -0.109 11.285 1.00 0.00 H new ATOM 0 HA GLN A 60 -6.953 0.993 10.194 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -6.506 0.742 12.633 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -5.165 1.863 12.500 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -6.997 3.119 13.348 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -6.804 3.609 11.677 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -8.332 2.948 10.087 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -9.929 2.355 10.555 1.00 0.00 H new ATOM 863 N CYS A 61 -6.156 2.892 8.844 1.00 0.00 N ATOM 864 CA CYS A 61 -5.725 4.021 8.027 1.00 0.00 C ATOM 865 C CYS A 61 -6.908 4.917 7.670 1.00 0.00 C ATOM 866 O CYS A 61 -8.031 4.440 7.506 1.00 0.00 O ATOM 867 CB CYS A 61 -5.041 3.521 6.752 1.00 0.00 C ATOM 868 SG CYS A 61 -3.235 3.562 6.819 1.00 0.00 S ATOM 0 H CYS A 61 -7.065 2.507 8.586 1.00 0.00 H new ATOM 0 HA CYS A 61 -5.012 4.608 8.606 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -5.364 2.498 6.557 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -5.377 4.127 5.911 1.00 0.00 H new ATOM 0 HG CYS A 61 -2.762 2.394 6.498 1.00 0.00 H new ATOM 874 N PRO A 62 -6.672 6.235 7.542 1.00 0.00 N ATOM 875 CA PRO A 62 -7.726 7.197 7.201 1.00 0.00 C ATOM 876 C PRO A 62 -8.459 6.818 5.917 1.00 0.00 C ATOM 877 O PRO A 62 -8.038 5.912 5.197 1.00 0.00 O ATOM 878 CB PRO A 62 -6.966 8.513 7.014 1.00 0.00 C ATOM 879 CG PRO A 62 -5.712 8.349 7.801 1.00 0.00 C ATOM 880 CD PRO A 62 -5.362 6.890 7.719 1.00 0.00 C ATOM 0 HA PRO A 62 -8.498 7.244 7.969 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -6.750 8.698 5.962 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -7.550 9.360 7.374 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -4.911 8.966 7.393 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -5.857 8.658 8.836 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -4.693 6.683 6.884 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -4.859 6.546 8.623 1.00 0.00 H new ATOM 888 N PRO A 63 -9.572 7.508 5.612 1.00 0.00 N ATOM 889 CA PRO A 63 -10.361 7.238 4.407 1.00 0.00 C ATOM 890 C PRO A 63 -9.647 7.680 3.134 1.00 0.00 C ATOM 891 O PRO A 63 -9.202 8.823 3.025 1.00 0.00 O ATOM 892 CB PRO A 63 -11.631 8.063 4.623 1.00 0.00 C ATOM 893 CG PRO A 63 -11.211 9.174 5.522 1.00 0.00 C ATOM 894 CD PRO A 63 -10.144 8.604 6.416 1.00 0.00 C ATOM 0 HA PRO A 63 -10.546 6.172 4.272 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -12.022 8.443 3.679 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -12.420 7.464 5.076 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -10.829 10.018 4.947 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -12.054 9.543 6.107 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -9.392 9.351 6.670 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -10.560 8.239 7.355 1.00 0.00 H new ATOM 902 N LYS A 64 -9.543 6.768 2.173 1.00 0.00 N ATOM 903 CA LYS A 64 -8.884 7.062 0.906 1.00 0.00 C ATOM 904 C LYS A 64 -7.414 7.408 1.122 1.00 0.00 C ATOM 905 O LYS A 64 -6.859 8.259 0.428 1.00 0.00 O ATOM 906 CB LYS A 64 -9.592 8.217 0.194 1.00 0.00 C ATOM 907 CG LYS A 64 -11.099 8.041 0.098 1.00 0.00 C ATOM 908 CD LYS A 64 -11.467 6.769 -0.652 1.00 0.00 C ATOM 909 CE LYS A 64 -12.217 5.791 0.240 1.00 0.00 C ATOM 910 NZ LYS A 64 -13.689 5.863 0.028 1.00 0.00 N ATOM 0 H LYS A 64 -9.907 5.818 2.248 1.00 0.00 H new ATOM 0 HA LYS A 64 -8.940 6.170 0.282 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -9.376 9.145 0.723 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -9.182 8.319 -0.811 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -11.527 8.010 1.100 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -11.535 8.902 -0.409 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -12.082 7.020 -1.516 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -10.562 6.295 -1.032 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -11.870 4.777 0.039 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -11.990 6.005 1.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -14.164 5.182 0.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -14.024 6.823 0.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -13.909 5.634 -0.962 1.00 0.00 H new ATOM 924 N PHE A 65 -6.791 6.743 2.089 1.00 0.00 N ATOM 925 CA PHE A 65 -5.385 6.981 2.396 1.00 0.00 C ATOM 926 C PHE A 65 -4.543 5.745 2.090 1.00 0.00 C ATOM 927 O PHE A 65 -3.391 5.856 1.668 1.00 0.00 O ATOM 928 CB PHE A 65 -5.222 7.374 3.866 1.00 0.00 C ATOM 929 CG PHE A 65 -5.138 8.857 4.085 1.00 0.00 C ATOM 930 CD1 PHE A 65 -6.151 9.694 3.644 1.00 0.00 C ATOM 931 CD2 PHE A 65 -4.045 9.415 4.729 1.00 0.00 C ATOM 932 CE1 PHE A 65 -6.076 11.059 3.843 1.00 0.00 C ATOM 933 CE2 PHE A 65 -3.966 10.779 4.932 1.00 0.00 C ATOM 934 CZ PHE A 65 -4.982 11.603 4.487 1.00 0.00 C ATOM 0 H PHE A 65 -7.237 6.036 2.673 1.00 0.00 H new ATOM 0 HA PHE A 65 -5.035 7.800 1.767 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -6.063 6.978 4.435 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -4.321 6.905 4.261 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -7.009 9.274 3.139 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -3.246 8.776 5.076 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -6.872 11.700 3.495 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -3.111 11.201 5.438 1.00 0.00 H new ATOM 0 HZ PHE A 65 -4.921 12.670 4.642 1.00 0.00 H new ATOM 944 N GLY A 66 -5.124 4.570 2.304 1.00 0.00 N ATOM 945 CA GLY A 66 -4.411 3.332 2.046 1.00 0.00 C ATOM 946 C GLY A 66 -4.816 2.693 0.732 1.00 0.00 C ATOM 947 O GLY A 66 -5.996 2.673 0.382 1.00 0.00 O ATOM 0 H GLY A 66 -6.076 4.452 2.651 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -3.339 3.529 2.036 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -4.598 2.632 2.860 1.00 0.00 H new ATOM 951 N LEU A 67 -3.836 2.167 0.005 1.00 0.00 N ATOM 952 CA LEU A 67 -4.097 1.523 -1.278 1.00 0.00 C ATOM 953 C LEU A 67 -3.346 0.200 -1.384 1.00 0.00 C ATOM 954 O LEU A 67 -2.150 0.129 -1.103 1.00 0.00 O ATOM 955 CB LEU A 67 -3.690 2.447 -2.427 1.00 0.00 C ATOM 956 CG LEU A 67 -4.105 1.969 -3.821 1.00 0.00 C ATOM 957 CD1 LEU A 67 -5.410 2.627 -4.243 1.00 0.00 C ATOM 958 CD2 LEU A 67 -3.007 2.260 -4.834 1.00 0.00 C ATOM 0 H LEU A 67 -2.854 2.174 0.282 1.00 0.00 H new ATOM 0 HA LEU A 67 -5.166 1.320 -1.345 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -4.125 3.431 -2.253 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.607 2.569 -2.409 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.260 0.891 -3.784 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.690 2.276 -5.236 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -6.195 2.368 -3.532 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -5.282 3.709 -4.264 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.320 1.913 -5.819 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.820 3.333 -4.869 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -2.094 1.742 -4.540 1.00 0.00 H new ATOM 970 N PHE A 68 -4.057 -0.847 -1.791 1.00 0.00 N ATOM 971 CA PHE A 68 -3.457 -2.169 -1.934 1.00 0.00 C ATOM 972 C PHE A 68 -2.927 -2.374 -3.349 1.00 0.00 C ATOM 973 O PHE A 68 -3.697 -2.481 -4.303 1.00 0.00 O ATOM 974 CB PHE A 68 -4.481 -3.255 -1.599 1.00 0.00 C ATOM 975 CG PHE A 68 -4.836 -3.317 -0.141 1.00 0.00 C ATOM 976 CD1 PHE A 68 -3.943 -3.841 0.780 1.00 0.00 C ATOM 977 CD2 PHE A 68 -6.062 -2.853 0.307 1.00 0.00 C ATOM 978 CE1 PHE A 68 -4.267 -3.901 2.122 1.00 0.00 C ATOM 979 CE2 PHE A 68 -6.391 -2.909 1.648 1.00 0.00 C ATOM 980 CZ PHE A 68 -5.492 -3.433 2.557 1.00 0.00 C ATOM 0 H PHE A 68 -5.048 -0.806 -2.027 1.00 0.00 H new ATOM 0 HA PHE A 68 -2.621 -2.240 -1.238 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -5.388 -3.079 -2.178 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -4.087 -4.223 -1.910 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -2.983 -4.206 0.445 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -6.768 -2.443 -0.400 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -3.563 -4.313 2.830 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -7.350 -2.544 1.985 1.00 0.00 H new ATOM 0 HZ PHE A 68 -5.746 -3.477 3.606 1.00 0.00 H new ATOM 990 N ALA A 69 -1.605 -2.429 -3.478 1.00 0.00 N ATOM 991 CA ALA A 69 -0.972 -2.623 -4.777 1.00 0.00 C ATOM 992 C ALA A 69 0.017 -3.786 -4.738 1.00 0.00 C ATOM 993 O ALA A 69 0.676 -4.016 -3.725 1.00 0.00 O ATOM 994 CB ALA A 69 -0.270 -1.347 -5.217 1.00 0.00 C ATOM 0 H ALA A 69 -0.952 -2.342 -2.699 1.00 0.00 H new ATOM 0 HA ALA A 69 -1.750 -2.865 -5.500 1.00 0.00 H new ATOM 0 HB1 ALA A 69 0.198 -1.506 -6.188 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -0.998 -0.539 -5.293 1.00 0.00 H new ATOM 0 HB3 ALA A 69 0.493 -1.081 -4.486 1.00 0.00 H new ATOM 1000 N PRO A 70 0.134 -4.540 -5.846 1.00 0.00 N ATOM 1001 CA PRO A 70 1.049 -5.683 -5.929 1.00 0.00 C ATOM 1002 C PRO A 70 2.481 -5.305 -5.571 1.00 0.00 C ATOM 1003 O PRO A 70 2.927 -4.191 -5.848 1.00 0.00 O ATOM 1004 CB PRO A 70 0.962 -6.110 -7.398 1.00 0.00 C ATOM 1005 CG PRO A 70 -0.361 -5.609 -7.863 1.00 0.00 C ATOM 1006 CD PRO A 70 -0.614 -4.338 -7.101 1.00 0.00 C ATOM 0 HA PRO A 70 0.776 -6.471 -5.227 1.00 0.00 H new ATOM 0 HB2 PRO A 70 1.775 -5.681 -7.983 1.00 0.00 H new ATOM 0 HB3 PRO A 70 1.033 -7.193 -7.500 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -0.353 -5.425 -8.937 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -1.145 -6.342 -7.671 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -0.257 -3.464 -7.646 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -1.677 -4.185 -6.915 1.00 0.00 H new ATOM 1014 N ILE A 71 3.198 -6.238 -4.952 1.00 0.00 N ATOM 1015 CA ILE A 71 4.581 -6.002 -4.554 1.00 0.00 C ATOM 1016 C ILE A 71 5.446 -5.628 -5.756 1.00 0.00 C ATOM 1017 O ILE A 71 6.226 -4.678 -5.698 1.00 0.00 O ATOM 1018 CB ILE A 71 5.184 -7.238 -3.856 1.00 0.00 C ATOM 1019 CG1 ILE A 71 6.600 -6.936 -3.361 1.00 0.00 C ATOM 1020 CG2 ILE A 71 5.189 -8.433 -4.798 1.00 0.00 C ATOM 1021 CD1 ILE A 71 6.899 -7.513 -1.994 1.00 0.00 C ATOM 0 H ILE A 71 2.844 -7.165 -4.715 1.00 0.00 H new ATOM 0 HA ILE A 71 4.571 -5.170 -3.850 1.00 0.00 H new ATOM 0 HB ILE A 71 4.564 -7.484 -2.994 1.00 0.00 H new ATOM 0 HG12 ILE A 71 7.319 -7.332 -4.078 1.00 0.00 H new ATOM 0 HG13 ILE A 71 6.742 -5.856 -3.329 1.00 0.00 H new ATOM 0 HG21 ILE A 71 5.618 -9.296 -4.289 1.00 0.00 H new ATOM 0 HG22 ILE A 71 4.167 -8.661 -5.101 1.00 0.00 H new ATOM 0 HG23 ILE A 71 5.785 -8.199 -5.680 1.00 0.00 H new ATOM 0 HD11 ILE A 71 7.920 -7.260 -1.707 1.00 0.00 H new ATOM 0 HD12 ILE A 71 6.204 -7.098 -1.264 1.00 0.00 H new ATOM 0 HD13 ILE A 71 6.789 -8.597 -2.025 1.00 0.00 H new ATOM 1033 N HIS A 72 5.301 -6.378 -6.843 1.00 0.00 N ATOM 1034 CA HIS A 72 6.070 -6.121 -8.055 1.00 0.00 C ATOM 1035 C HIS A 72 5.758 -4.736 -8.615 1.00 0.00 C ATOM 1036 O HIS A 72 6.571 -4.149 -9.330 1.00 0.00 O ATOM 1037 CB HIS A 72 5.777 -7.189 -9.110 1.00 0.00 C ATOM 1038 CG HIS A 72 4.319 -7.355 -9.411 1.00 0.00 C ATOM 1039 ND1 HIS A 72 3.530 -8.340 -8.863 1.00 0.00 N ATOM 1040 CD2 HIS A 72 3.507 -6.633 -10.225 1.00 0.00 C ATOM 1041 CE1 HIS A 72 2.291 -8.192 -9.351 1.00 0.00 C ATOM 1042 NE2 HIS A 72 2.224 -7.170 -10.181 1.00 0.00 N ATOM 0 H HIS A 72 4.659 -7.168 -6.910 1.00 0.00 H new ATOM 0 HA HIS A 72 7.128 -6.159 -7.797 1.00 0.00 H new ATOM 0 HB2 HIS A 72 6.302 -6.932 -10.030 1.00 0.00 H new ATOM 0 HB3 HIS A 72 6.179 -8.143 -8.770 1.00 0.00 H new ATOM 0 HD2 HIS A 72 3.809 -5.779 -10.813 1.00 0.00 H new ATOM 0 HE1 HIS A 72 1.455 -8.828 -9.097 1.00 0.00 H new ATOM 0 HE2 HIS A 72 1.402 -6.841 -10.687 1.00 0.00 H new ATOM 1050 N LYS A 73 4.579 -4.217 -8.285 1.00 0.00 N ATOM 1051 CA LYS A 73 4.165 -2.900 -8.755 1.00 0.00 C ATOM 1052 C LYS A 73 4.755 -1.797 -7.880 1.00 0.00 C ATOM 1053 O LYS A 73 4.939 -0.667 -8.331 1.00 0.00 O ATOM 1054 CB LYS A 73 2.639 -2.797 -8.766 1.00 0.00 C ATOM 1055 CG LYS A 73 1.996 -3.411 -9.999 1.00 0.00 C ATOM 1056 CD LYS A 73 2.235 -2.559 -11.235 1.00 0.00 C ATOM 1057 CE LYS A 73 2.457 -3.416 -12.471 1.00 0.00 C ATOM 1058 NZ LYS A 73 1.344 -3.279 -13.451 1.00 0.00 N ATOM 0 H LYS A 73 3.894 -4.688 -7.694 1.00 0.00 H new ATOM 0 HA LYS A 73 4.539 -2.771 -9.771 1.00 0.00 H new ATOM 0 HB2 LYS A 73 2.244 -3.289 -7.877 1.00 0.00 H new ATOM 0 HB3 LYS A 73 2.354 -1.747 -8.703 1.00 0.00 H new ATOM 0 HG2 LYS A 73 2.399 -4.411 -10.161 1.00 0.00 H new ATOM 0 HG3 LYS A 73 0.924 -3.523 -9.834 1.00 0.00 H new ATOM 0 HD2 LYS A 73 1.380 -1.902 -11.396 1.00 0.00 H new ATOM 0 HD3 LYS A 73 3.103 -1.919 -11.074 1.00 0.00 H new ATOM 0 HE2 LYS A 73 3.396 -3.131 -12.946 1.00 0.00 H new ATOM 0 HE3 LYS A 73 2.554 -4.461 -12.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 1.534 -3.879 -14.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 0.452 -3.575 -13.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 1.268 -2.287 -13.753 1.00 0.00 H new ATOM 1072 N VAL A 74 5.049 -2.131 -6.627 1.00 0.00 N ATOM 1073 CA VAL A 74 5.617 -1.167 -5.693 1.00 0.00 C ATOM 1074 C VAL A 74 7.046 -0.801 -6.079 1.00 0.00 C ATOM 1075 O VAL A 74 7.850 -1.668 -6.420 1.00 0.00 O ATOM 1076 CB VAL A 74 5.611 -1.710 -4.251 1.00 0.00 C ATOM 1077 CG1 VAL A 74 6.043 -0.632 -3.269 1.00 0.00 C ATOM 1078 CG2 VAL A 74 4.235 -2.250 -3.890 1.00 0.00 C ATOM 0 H VAL A 74 4.903 -3.062 -6.236 1.00 0.00 H new ATOM 0 HA VAL A 74 4.991 -0.276 -5.741 1.00 0.00 H new ATOM 0 HB VAL A 74 6.327 -2.530 -4.190 1.00 0.00 H new ATOM 0 HG11 VAL A 74 6.032 -1.036 -2.257 1.00 0.00 H new ATOM 0 HG12 VAL A 74 7.051 -0.298 -3.515 1.00 0.00 H new ATOM 0 HG13 VAL A 74 5.356 0.212 -3.330 1.00 0.00 H new ATOM 0 HG21 VAL A 74 4.250 -2.629 -2.868 1.00 0.00 H new ATOM 0 HG22 VAL A 74 3.498 -1.451 -3.970 1.00 0.00 H new ATOM 0 HG23 VAL A 74 3.970 -3.057 -4.573 1.00 0.00 H new ATOM 1088 N ILE A 75 7.356 0.491 -6.019 1.00 0.00 N ATOM 1089 CA ILE A 75 8.689 0.973 -6.360 1.00 0.00 C ATOM 1090 C ILE A 75 9.340 1.668 -5.170 1.00 0.00 C ATOM 1091 O ILE A 75 9.011 2.810 -4.849 1.00 0.00 O ATOM 1092 CB ILE A 75 8.647 1.951 -7.550 1.00 0.00 C ATOM 1093 CG1 ILE A 75 7.815 1.365 -8.692 1.00 0.00 C ATOM 1094 CG2 ILE A 75 10.056 2.271 -8.023 1.00 0.00 C ATOM 1095 CD1 ILE A 75 8.401 0.100 -9.279 1.00 0.00 C ATOM 0 H ILE A 75 6.702 1.222 -5.738 1.00 0.00 H new ATOM 0 HA ILE A 75 9.280 0.100 -6.638 1.00 0.00 H new ATOM 0 HB ILE A 75 8.176 2.878 -7.222 1.00 0.00 H new ATOM 0 HG12 ILE A 75 6.809 1.155 -8.327 1.00 0.00 H new ATOM 0 HG13 ILE A 75 7.719 2.111 -9.481 1.00 0.00 H new ATOM 0 HG21 ILE A 75 10.009 2.963 -8.864 1.00 0.00 H new ATOM 0 HG22 ILE A 75 10.618 2.727 -7.208 1.00 0.00 H new ATOM 0 HG23 ILE A 75 10.552 1.352 -8.336 1.00 0.00 H new ATOM 0 HD11 ILE A 75 7.759 -0.259 -10.083 1.00 0.00 H new ATOM 0 HD12 ILE A 75 9.395 0.309 -9.674 1.00 0.00 H new ATOM 0 HD13 ILE A 75 8.472 -0.662 -8.503 1.00 0.00 H new ATOM 1107 N ARG A 76 10.266 0.972 -4.519 1.00 0.00 N ATOM 1108 CA ARG A 76 10.963 1.523 -3.362 1.00 0.00 C ATOM 1109 C ARG A 76 11.719 2.795 -3.737 1.00 0.00 C ATOM 1110 O ARG A 76 12.115 2.976 -4.888 1.00 0.00 O ATOM 1111 CB ARG A 76 11.931 0.487 -2.784 1.00 0.00 C ATOM 1112 CG ARG A 76 11.740 0.242 -1.297 1.00 0.00 C ATOM 1113 CD ARG A 76 12.352 -1.081 -0.867 1.00 0.00 C ATOM 1114 NE ARG A 76 13.809 -1.069 -0.963 1.00 0.00 N ATOM 1115 CZ ARG A 76 14.606 -0.495 -0.064 1.00 0.00 C ATOM 1116 NH1 ARG A 76 14.091 0.113 0.998 1.00 0.00 N ATOM 1117 NH2 ARG A 76 15.922 -0.530 -0.226 1.00 0.00 N ATOM 0 H ARG A 76 10.551 0.026 -4.772 1.00 0.00 H new ATOM 0 HA ARG A 76 10.220 1.776 -2.606 1.00 0.00 H new ATOM 0 HB2 ARG A 76 11.804 -0.455 -3.318 1.00 0.00 H new ATOM 0 HB3 ARG A 76 12.954 0.819 -2.961 1.00 0.00 H new ATOM 0 HG2 ARG A 76 12.195 1.055 -0.732 1.00 0.00 H new ATOM 0 HG3 ARG A 76 10.676 0.246 -1.060 1.00 0.00 H new ATOM 0 HD2 ARG A 76 12.059 -1.299 0.160 1.00 0.00 H new ATOM 0 HD3 ARG A 76 11.955 -1.883 -1.489 1.00 0.00 H new ATOM 0 HE ARG A 76 14.241 -1.527 -1.765 1.00 0.00 H new ATOM 0 HH11 ARG A 76 13.080 0.142 1.129 1.00 0.00 H new ATOM 0 HH12 ARG A 76 14.707 0.551 1.683 1.00 0.00 H new ATOM 0 HH21 ARG A 76 16.323 -0.997 -1.039 1.00 0.00 H new ATOM 0 HH22 ARG A 76 16.532 -0.090 0.463 1.00 0.00 H new ATOM 1131 N ILE A 77 11.912 3.671 -2.757 1.00 0.00 N ATOM 1132 CA ILE A 77 12.619 4.926 -2.983 1.00 0.00 C ATOM 1133 C ILE A 77 13.795 5.073 -2.022 1.00 0.00 C ATOM 1134 O ILE A 77 14.144 6.182 -1.618 1.00 0.00 O ATOM 1135 CB ILE A 77 11.680 6.139 -2.820 1.00 0.00 C ATOM 1136 CG1 ILE A 77 10.358 5.892 -3.550 1.00 0.00 C ATOM 1137 CG2 ILE A 77 12.350 7.403 -3.339 1.00 0.00 C ATOM 1138 CD1 ILE A 77 9.280 6.894 -3.203 1.00 0.00 C ATOM 0 H ILE A 77 11.589 3.535 -1.799 1.00 0.00 H new ATOM 0 HA ILE A 77 12.990 4.901 -4.007 1.00 0.00 H new ATOM 0 HB ILE A 77 11.468 6.274 -1.759 1.00 0.00 H new ATOM 0 HG12 ILE A 77 10.535 5.919 -4.625 1.00 0.00 H new ATOM 0 HG13 ILE A 77 10.002 4.890 -3.311 1.00 0.00 H new ATOM 0 HG21 ILE A 77 11.674 8.249 -3.217 1.00 0.00 H new ATOM 0 HG22 ILE A 77 13.266 7.586 -2.778 1.00 0.00 H new ATOM 0 HG23 ILE A 77 12.590 7.280 -4.395 1.00 0.00 H new ATOM 0 HD11 ILE A 77 8.372 6.658 -3.757 1.00 0.00 H new ATOM 0 HD12 ILE A 77 9.074 6.851 -2.133 1.00 0.00 H new ATOM 0 HD13 ILE A 77 9.616 7.896 -3.468 1.00 0.00 H new