USER MOD reduce.3.24.130724 H: found=0, std=0, add=545, rem=0, adj=9 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= -0.827 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.0366 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 164:sc= 0.1 USER MOD Single : A 34 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.265) USER MOD Single : A 38 CYS SG : rot 180:sc= -1.7 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 ASN : amide:sc= -0.254 X(o=-0.25,f=-0.41) USER MOD Single : A 56 THR OG1 : rot 78:sc= 0.0675 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -0.0904 K(o=-0.09,f=-2.9!) USER MOD Single : A 61 CYS SG : rot 127:sc= -0.792 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 HIS : no HD1:sc= -3.01 X(o=-3,f=-2.8!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 68 N LEU A 8 10.748 -5.424 -0.002 1.00 0.00 N ATOM 69 CA LEU A 8 10.442 -4.296 0.872 1.00 0.00 C ATOM 70 C LEU A 8 9.992 -4.781 2.246 1.00 0.00 C ATOM 71 O LEU A 8 9.577 -5.928 2.406 1.00 0.00 O ATOM 72 CB LEU A 8 9.355 -3.421 0.246 1.00 0.00 C ATOM 73 CG LEU A 8 9.600 -3.027 -1.213 1.00 0.00 C ATOM 74 CD1 LEU A 8 8.775 -3.899 -2.147 1.00 0.00 C ATOM 75 CD2 LEU A 8 9.279 -1.556 -1.430 1.00 0.00 C ATOM 0 HA LEU A 8 11.349 -3.705 0.994 1.00 0.00 H new ATOM 0 HB2 LEU A 8 8.404 -3.949 0.309 1.00 0.00 H new ATOM 0 HB3 LEU A 8 9.255 -2.512 0.840 1.00 0.00 H new ATOM 0 HG LEU A 8 10.655 -3.184 -1.440 1.00 0.00 H new ATOM 0 HD11 LEU A 8 8.962 -3.604 -3.180 1.00 0.00 H new ATOM 0 HD12 LEU A 8 9.055 -4.944 -2.011 1.00 0.00 H new ATOM 0 HD13 LEU A 8 7.716 -3.775 -1.920 1.00 0.00 H new ATOM 0 HD21 LEU A 8 9.459 -1.294 -2.473 1.00 0.00 H new ATOM 0 HD22 LEU A 8 8.233 -1.372 -1.185 1.00 0.00 H new ATOM 0 HD23 LEU A 8 9.915 -0.946 -0.788 1.00 0.00 H new ATOM 87 N ARG A 9 10.075 -3.896 3.235 1.00 0.00 N ATOM 88 CA ARG A 9 9.676 -4.233 4.597 1.00 0.00 C ATOM 89 C ARG A 9 8.616 -3.261 5.107 1.00 0.00 C ATOM 90 O ARG A 9 8.120 -2.420 4.357 1.00 0.00 O ATOM 91 CB ARG A 9 10.891 -4.215 5.526 1.00 0.00 C ATOM 92 CG ARG A 9 12.075 -5.008 4.996 1.00 0.00 C ATOM 93 CD ARG A 9 12.475 -6.122 5.950 1.00 0.00 C ATOM 94 NE ARG A 9 13.451 -7.031 5.352 1.00 0.00 N ATOM 95 CZ ARG A 9 13.145 -7.958 4.449 1.00 0.00 C ATOM 96 NH1 ARG A 9 11.891 -8.104 4.037 1.00 0.00 N ATOM 97 NH2 ARG A 9 14.093 -8.743 3.956 1.00 0.00 N ATOM 0 H ARG A 9 10.415 -2.941 3.119 1.00 0.00 H new ATOM 0 HA ARG A 9 9.250 -5.236 4.588 1.00 0.00 H new ATOM 0 HB2 ARG A 9 11.199 -3.182 5.687 1.00 0.00 H new ATOM 0 HB3 ARG A 9 10.601 -4.616 6.497 1.00 0.00 H new ATOM 0 HG2 ARG A 9 11.823 -5.433 4.024 1.00 0.00 H new ATOM 0 HG3 ARG A 9 12.922 -4.339 4.841 1.00 0.00 H new ATOM 0 HD2 ARG A 9 12.893 -5.689 6.859 1.00 0.00 H new ATOM 0 HD3 ARG A 9 11.588 -6.684 6.243 1.00 0.00 H new ATOM 0 HE ARG A 9 14.425 -6.949 5.645 1.00 0.00 H new ATOM 0 HH11 ARG A 9 11.157 -7.504 4.413 1.00 0.00 H new ATOM 0 HH12 ARG A 9 11.662 -8.817 3.344 1.00 0.00 H new ATOM 0 HH21 ARG A 9 15.058 -8.636 4.269 1.00 0.00 H new ATOM 0 HH22 ARG A 9 13.858 -9.454 3.263 1.00 0.00 H new ATOM 111 N LEU A 10 8.275 -3.382 6.385 1.00 0.00 N ATOM 112 CA LEU A 10 7.274 -2.515 6.994 1.00 0.00 C ATOM 113 C LEU A 10 7.879 -1.164 7.363 1.00 0.00 C ATOM 114 O LEU A 10 8.949 -1.096 7.967 1.00 0.00 O ATOM 115 CB LEU A 10 6.680 -3.179 8.238 1.00 0.00 C ATOM 116 CG LEU A 10 5.457 -4.059 7.980 1.00 0.00 C ATOM 117 CD1 LEU A 10 5.202 -4.978 9.165 1.00 0.00 C ATOM 118 CD2 LEU A 10 4.235 -3.201 7.695 1.00 0.00 C ATOM 0 H LEU A 10 8.677 -4.072 7.019 1.00 0.00 H new ATOM 0 HA LEU A 10 6.480 -2.351 6.266 1.00 0.00 H new ATOM 0 HB2 LEU A 10 7.452 -3.786 8.711 1.00 0.00 H new ATOM 0 HB3 LEU A 10 6.405 -2.401 8.950 1.00 0.00 H new ATOM 0 HG LEU A 10 5.655 -4.677 7.104 1.00 0.00 H new ATOM 0 HD11 LEU A 10 4.328 -5.597 8.964 1.00 0.00 H new ATOM 0 HD12 LEU A 10 6.071 -5.617 9.323 1.00 0.00 H new ATOM 0 HD13 LEU A 10 5.025 -4.379 10.058 1.00 0.00 H new ATOM 0 HD21 LEU A 10 3.373 -3.844 7.514 1.00 0.00 H new ATOM 0 HD22 LEU A 10 4.034 -2.558 8.552 1.00 0.00 H new ATOM 0 HD23 LEU A 10 4.420 -2.585 6.815 1.00 0.00 H new ATOM 130 N GLY A 11 7.186 -0.091 6.995 1.00 0.00 N ATOM 131 CA GLY A 11 7.671 1.244 7.296 1.00 0.00 C ATOM 132 C GLY A 11 8.732 1.709 6.318 1.00 0.00 C ATOM 133 O GLY A 11 9.841 2.064 6.717 1.00 0.00 O ATOM 0 H GLY A 11 6.298 -0.122 6.494 1.00 0.00 H new ATOM 0 HA2 GLY A 11 6.835 1.943 7.280 1.00 0.00 H new ATOM 0 HA3 GLY A 11 8.080 1.259 8.306 1.00 0.00 H new ATOM 137 N ASP A 12 8.391 1.706 5.033 1.00 0.00 N ATOM 138 CA ASP A 12 9.322 2.130 3.995 1.00 0.00 C ATOM 139 C ASP A 12 8.617 2.988 2.948 1.00 0.00 C ATOM 140 O ASP A 12 7.614 2.573 2.367 1.00 0.00 O ATOM 141 CB ASP A 12 9.964 0.913 3.327 1.00 0.00 C ATOM 142 CG ASP A 12 11.435 1.126 3.026 1.00 0.00 C ATOM 143 OD1 ASP A 12 11.750 2.004 2.197 1.00 0.00 O ATOM 144 OD2 ASP A 12 12.271 0.414 3.622 1.00 0.00 O ATOM 0 H ASP A 12 7.477 1.415 4.687 1.00 0.00 H new ATOM 0 HA ASP A 12 10.101 2.730 4.465 1.00 0.00 H new ATOM 0 HB2 ASP A 12 9.851 0.044 3.976 1.00 0.00 H new ATOM 0 HB3 ASP A 12 9.435 0.690 2.400 1.00 0.00 H new ATOM 149 N ARG A 13 9.146 4.184 2.715 1.00 0.00 N ATOM 150 CA ARG A 13 8.566 5.098 1.738 1.00 0.00 C ATOM 151 C ARG A 13 8.611 4.498 0.337 1.00 0.00 C ATOM 152 O ARG A 13 9.687 4.257 -0.211 1.00 0.00 O ATOM 153 CB ARG A 13 9.308 6.436 1.758 1.00 0.00 C ATOM 154 CG ARG A 13 8.688 7.461 2.696 1.00 0.00 C ATOM 155 CD ARG A 13 9.668 7.902 3.771 1.00 0.00 C ATOM 156 NE ARG A 13 9.010 8.110 5.059 1.00 0.00 N ATOM 157 CZ ARG A 13 8.680 7.125 5.891 1.00 0.00 C ATOM 158 NH1 ARG A 13 8.941 5.862 5.573 1.00 0.00 N ATOM 159 NH2 ARG A 13 8.084 7.402 7.043 1.00 0.00 N ATOM 0 H ARG A 13 9.975 4.543 3.189 1.00 0.00 H new ATOM 0 HA ARG A 13 7.523 5.265 2.008 1.00 0.00 H new ATOM 0 HB2 ARG A 13 10.343 6.264 2.054 1.00 0.00 H new ATOM 0 HB3 ARG A 13 9.329 6.846 0.748 1.00 0.00 H new ATOM 0 HG2 ARG A 13 8.361 8.329 2.123 1.00 0.00 H new ATOM 0 HG3 ARG A 13 7.800 7.036 3.165 1.00 0.00 H new ATOM 0 HD2 ARG A 13 10.449 7.150 3.880 1.00 0.00 H new ATOM 0 HD3 ARG A 13 10.156 8.826 3.460 1.00 0.00 H new ATOM 0 HE ARG A 13 8.791 9.067 5.337 1.00 0.00 H new ATOM 0 HH11 ARG A 13 9.397 5.643 4.687 1.00 0.00 H new ATOM 0 HH12 ARG A 13 8.686 5.111 6.215 1.00 0.00 H new ATOM 0 HH21 ARG A 13 7.879 8.370 7.291 1.00 0.00 H new ATOM 0 HH22 ARG A 13 7.831 6.647 7.681 1.00 0.00 H new ATOM 173 N VAL A 14 7.437 4.260 -0.238 1.00 0.00 N ATOM 174 CA VAL A 14 7.343 3.687 -1.576 1.00 0.00 C ATOM 175 C VAL A 14 6.499 4.565 -2.494 1.00 0.00 C ATOM 176 O VAL A 14 5.819 5.484 -2.038 1.00 0.00 O ATOM 177 CB VAL A 14 6.735 2.273 -1.538 1.00 0.00 C ATOM 178 CG1 VAL A 14 7.729 1.277 -0.963 1.00 0.00 C ATOM 179 CG2 VAL A 14 5.441 2.270 -0.737 1.00 0.00 C ATOM 0 H VAL A 14 6.537 4.455 0.201 1.00 0.00 H new ATOM 0 HA VAL A 14 8.359 3.629 -1.967 1.00 0.00 H new ATOM 0 HB VAL A 14 6.505 1.970 -2.559 1.00 0.00 H new ATOM 0 HG11 VAL A 14 7.280 0.284 -0.945 1.00 0.00 H new ATOM 0 HG12 VAL A 14 8.625 1.259 -1.583 1.00 0.00 H new ATOM 0 HG13 VAL A 14 7.995 1.573 0.052 1.00 0.00 H new ATOM 0 HG21 VAL A 14 5.025 1.262 -0.721 1.00 0.00 H new ATOM 0 HG22 VAL A 14 5.644 2.595 0.283 1.00 0.00 H new ATOM 0 HG23 VAL A 14 4.726 2.950 -1.199 1.00 0.00 H new ATOM 189 N LEU A 15 6.549 4.275 -3.790 1.00 0.00 N ATOM 190 CA LEU A 15 5.789 5.036 -4.775 1.00 0.00 C ATOM 191 C LEU A 15 4.795 4.137 -5.505 1.00 0.00 C ATOM 192 O LEU A 15 5.186 3.268 -6.284 1.00 0.00 O ATOM 193 CB LEU A 15 6.734 5.694 -5.782 1.00 0.00 C ATOM 194 CG LEU A 15 6.095 6.763 -6.669 1.00 0.00 C ATOM 195 CD1 LEU A 15 5.541 7.899 -5.822 1.00 0.00 C ATOM 196 CD2 LEU A 15 7.105 7.291 -7.677 1.00 0.00 C ATOM 0 H LEU A 15 7.108 3.518 -4.183 1.00 0.00 H new ATOM 0 HA LEU A 15 5.233 5.812 -4.249 1.00 0.00 H new ATOM 0 HB2 LEU A 15 7.564 6.145 -5.237 1.00 0.00 H new ATOM 0 HB3 LEU A 15 7.156 4.918 -6.421 1.00 0.00 H new ATOM 0 HG LEU A 15 5.268 6.309 -7.215 1.00 0.00 H new ATOM 0 HD11 LEU A 15 5.090 8.650 -6.471 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.786 7.509 -5.139 1.00 0.00 H new ATOM 0 HD13 LEU A 15 6.349 8.353 -5.248 1.00 0.00 H new ATOM 0 HD21 LEU A 15 6.634 8.051 -8.300 1.00 0.00 H new ATOM 0 HD22 LEU A 15 7.952 7.729 -7.148 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.454 6.472 -8.305 1.00 0.00 H new ATOM 208 N VAL A 16 3.511 4.352 -5.246 1.00 0.00 N ATOM 209 CA VAL A 16 2.461 3.560 -5.875 1.00 0.00 C ATOM 210 C VAL A 16 1.942 4.238 -7.138 1.00 0.00 C ATOM 211 O VAL A 16 1.319 5.297 -7.075 1.00 0.00 O ATOM 212 CB VAL A 16 1.282 3.324 -4.914 1.00 0.00 C ATOM 213 CG1 VAL A 16 0.293 2.336 -5.512 1.00 0.00 C ATOM 214 CG2 VAL A 16 1.784 2.836 -3.563 1.00 0.00 C ATOM 0 H VAL A 16 3.171 5.069 -4.604 1.00 0.00 H new ATOM 0 HA VAL A 16 2.905 2.600 -6.137 1.00 0.00 H new ATOM 0 HB VAL A 16 0.765 4.272 -4.763 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -0.533 2.183 -4.818 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -0.092 2.731 -6.452 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.794 1.386 -5.695 1.00 0.00 H new ATOM 0 HG21 VAL A 16 0.937 2.675 -2.897 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.327 1.900 -3.693 1.00 0.00 H new ATOM 0 HG23 VAL A 16 2.449 3.584 -3.130 1.00 0.00 H new ATOM 224 N GLY A 17 2.204 3.620 -8.286 1.00 0.00 N ATOM 225 CA GLY A 17 1.755 4.177 -9.548 1.00 0.00 C ATOM 226 C GLY A 17 2.804 5.052 -10.208 1.00 0.00 C ATOM 227 O GLY A 17 2.752 5.290 -11.414 1.00 0.00 O ATOM 0 H GLY A 17 2.719 2.743 -8.364 1.00 0.00 H new ATOM 0 HA2 GLY A 17 1.487 3.365 -10.224 1.00 0.00 H new ATOM 0 HA3 GLY A 17 0.852 4.763 -9.381 1.00 0.00 H new ATOM 231 N GLY A 18 3.757 5.535 -9.416 1.00 0.00 N ATOM 232 CA GLY A 18 4.805 6.383 -9.952 1.00 0.00 C ATOM 233 C GLY A 18 4.500 7.858 -9.775 1.00 0.00 C ATOM 234 O GLY A 18 4.945 8.689 -10.565 1.00 0.00 O ATOM 0 H GLY A 18 3.822 5.354 -8.414 1.00 0.00 H new ATOM 0 HA2 GLY A 18 5.748 6.148 -9.458 1.00 0.00 H new ATOM 0 HA3 GLY A 18 4.938 6.167 -11.012 1.00 0.00 H new ATOM 238 N THR A 19 3.737 8.180 -8.736 1.00 0.00 N ATOM 239 CA THR A 19 3.369 9.564 -8.457 1.00 0.00 C ATOM 240 C THR A 19 2.909 9.723 -7.011 1.00 0.00 C ATOM 241 O THR A 19 3.302 10.665 -6.324 1.00 0.00 O ATOM 242 CB THR A 19 2.264 10.021 -9.410 1.00 0.00 C ATOM 243 OG1 THR A 19 2.349 9.331 -10.644 1.00 0.00 O ATOM 244 CG2 THR A 19 2.309 11.504 -9.710 1.00 0.00 C ATOM 0 H THR A 19 3.361 7.502 -8.073 1.00 0.00 H new ATOM 0 HA THR A 19 4.250 10.187 -8.609 1.00 0.00 H new ATOM 0 HB THR A 19 1.329 9.798 -8.896 1.00 0.00 H new ATOM 0 HG1 THR A 19 1.633 9.636 -11.240 1.00 0.00 H new ATOM 0 HG21 THR A 19 1.499 11.762 -10.392 1.00 0.00 H new ATOM 0 HG22 THR A 19 2.197 12.066 -8.783 1.00 0.00 H new ATOM 0 HG23 THR A 19 3.264 11.753 -10.172 1.00 0.00 H new ATOM 252 N LYS A 20 2.073 8.795 -6.557 1.00 0.00 N ATOM 253 CA LYS A 20 1.558 8.831 -5.192 1.00 0.00 C ATOM 254 C LYS A 20 2.550 8.198 -4.221 1.00 0.00 C ATOM 255 O LYS A 20 2.787 6.992 -4.259 1.00 0.00 O ATOM 256 CB LYS A 20 0.214 8.106 -5.112 1.00 0.00 C ATOM 257 CG LYS A 20 -0.765 8.518 -6.200 1.00 0.00 C ATOM 258 CD LYS A 20 -1.375 7.309 -6.892 1.00 0.00 C ATOM 259 CE LYS A 20 -2.593 7.694 -7.715 1.00 0.00 C ATOM 260 NZ LYS A 20 -3.056 6.573 -8.581 1.00 0.00 N ATOM 0 H LYS A 20 1.738 8.009 -7.114 1.00 0.00 H new ATOM 0 HA LYS A 20 1.416 9.874 -4.910 1.00 0.00 H new ATOM 0 HB2 LYS A 20 0.386 7.032 -5.177 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -0.236 8.298 -4.138 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -1.557 9.127 -5.765 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -0.253 9.139 -6.935 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.630 6.844 -7.538 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -1.658 6.566 -6.146 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -3.401 7.995 -7.048 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -2.353 8.557 -8.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -3.888 6.876 -9.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -2.294 6.302 -9.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -3.309 5.757 -7.987 1.00 0.00 H new ATOM 274 N THR A 21 3.126 9.023 -3.352 1.00 0.00 N ATOM 275 CA THR A 21 4.092 8.543 -2.369 1.00 0.00 C ATOM 276 C THR A 21 3.392 8.086 -1.095 1.00 0.00 C ATOM 277 O THR A 21 2.547 8.796 -0.549 1.00 0.00 O ATOM 278 CB THR A 21 5.106 9.642 -2.043 1.00 0.00 C ATOM 279 OG1 THR A 21 4.471 10.906 -1.972 1.00 0.00 O ATOM 280 CG2 THR A 21 6.223 9.746 -3.059 1.00 0.00 C ATOM 0 H THR A 21 2.941 10.025 -3.308 1.00 0.00 H new ATOM 0 HA THR A 21 4.616 7.689 -2.798 1.00 0.00 H new ATOM 0 HB THR A 21 5.536 9.362 -1.081 1.00 0.00 H new ATOM 0 HG1 THR A 21 5.136 11.595 -1.761 1.00 0.00 H new ATOM 0 HG21 THR A 21 6.906 10.544 -2.768 1.00 0.00 H new ATOM 0 HG22 THR A 21 6.765 8.801 -3.102 1.00 0.00 H new ATOM 0 HG23 THR A 21 5.803 9.968 -4.040 1.00 0.00 H new ATOM 288 N GLY A 22 3.750 6.896 -0.624 1.00 0.00 N ATOM 289 CA GLY A 22 3.147 6.364 0.585 1.00 0.00 C ATOM 290 C GLY A 22 4.016 5.319 1.255 1.00 0.00 C ATOM 291 O GLY A 22 4.811 4.647 0.597 1.00 0.00 O ATOM 0 H GLY A 22 4.447 6.290 -1.058 1.00 0.00 H new ATOM 0 HA2 GLY A 22 2.961 7.180 1.284 1.00 0.00 H new ATOM 0 HA3 GLY A 22 2.179 5.926 0.342 1.00 0.00 H new ATOM 295 N VAL A 23 3.866 5.182 2.569 1.00 0.00 N ATOM 296 CA VAL A 23 4.645 4.211 3.330 1.00 0.00 C ATOM 297 C VAL A 23 3.931 2.866 3.398 1.00 0.00 C ATOM 298 O VAL A 23 2.702 2.801 3.355 1.00 0.00 O ATOM 299 CB VAL A 23 4.919 4.707 4.761 1.00 0.00 C ATOM 300 CG1 VAL A 23 5.901 3.786 5.468 1.00 0.00 C ATOM 301 CG2 VAL A 23 5.437 6.137 4.742 1.00 0.00 C ATOM 0 H VAL A 23 3.213 5.730 3.128 1.00 0.00 H new ATOM 0 HA VAL A 23 5.594 4.090 2.808 1.00 0.00 H new ATOM 0 HB VAL A 23 3.981 4.693 5.315 1.00 0.00 H new ATOM 0 HG11 VAL A 23 6.082 4.153 6.478 1.00 0.00 H new ATOM 0 HG12 VAL A 23 5.485 2.780 5.517 1.00 0.00 H new ATOM 0 HG13 VAL A 23 6.841 3.764 4.916 1.00 0.00 H new ATOM 0 HG21 VAL A 23 5.625 6.470 5.763 1.00 0.00 H new ATOM 0 HG22 VAL A 23 6.364 6.181 4.170 1.00 0.00 H new ATOM 0 HG23 VAL A 23 4.694 6.787 4.280 1.00 0.00 H new ATOM 311 N VAL A 24 4.708 1.794 3.506 1.00 0.00 N ATOM 312 CA VAL A 24 4.150 0.449 3.582 1.00 0.00 C ATOM 313 C VAL A 24 3.582 0.170 4.970 1.00 0.00 C ATOM 314 O VAL A 24 4.302 0.213 5.967 1.00 0.00 O ATOM 315 CB VAL A 24 5.208 -0.620 3.247 1.00 0.00 C ATOM 316 CG1 VAL A 24 4.571 -1.999 3.175 1.00 0.00 C ATOM 317 CG2 VAL A 24 5.915 -0.283 1.943 1.00 0.00 C ATOM 0 H VAL A 24 5.727 1.830 3.543 1.00 0.00 H new ATOM 0 HA VAL A 24 3.348 0.396 2.845 1.00 0.00 H new ATOM 0 HB VAL A 24 5.951 -0.630 4.044 1.00 0.00 H new ATOM 0 HG11 VAL A 24 5.334 -2.740 2.937 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.117 -2.241 4.136 1.00 0.00 H new ATOM 0 HG13 VAL A 24 3.805 -2.006 2.400 1.00 0.00 H new ATOM 0 HG21 VAL A 24 6.658 -1.049 1.724 1.00 0.00 H new ATOM 0 HG22 VAL A 24 5.186 -0.242 1.134 1.00 0.00 H new ATOM 0 HG23 VAL A 24 6.408 0.685 2.036 1.00 0.00 H new ATOM 327 N ARG A 25 2.285 -0.118 5.026 1.00 0.00 N ATOM 328 CA ARG A 25 1.620 -0.404 6.292 1.00 0.00 C ATOM 329 C ARG A 25 1.314 -1.893 6.426 1.00 0.00 C ATOM 330 O ARG A 25 1.213 -2.417 7.536 1.00 0.00 O ATOM 331 CB ARG A 25 0.327 0.407 6.405 1.00 0.00 C ATOM 332 CG ARG A 25 0.504 1.737 7.120 1.00 0.00 C ATOM 333 CD ARG A 25 0.799 1.540 8.597 1.00 0.00 C ATOM 334 NE ARG A 25 1.511 2.681 9.170 1.00 0.00 N ATOM 335 CZ ARG A 25 0.922 3.817 9.531 1.00 0.00 C ATOM 336 NH1 ARG A 25 -0.389 3.971 9.379 1.00 0.00 N ATOM 337 NH2 ARG A 25 1.643 4.805 10.044 1.00 0.00 N ATOM 0 H ARG A 25 1.675 -0.159 4.210 1.00 0.00 H new ATOM 0 HA ARG A 25 2.294 -0.118 7.100 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -0.065 0.591 5.405 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -0.418 -0.185 6.936 1.00 0.00 H new ATOM 0 HG2 ARG A 25 1.318 2.295 6.657 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -0.399 2.336 7.005 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -0.136 1.388 9.136 1.00 0.00 H new ATOM 0 HD3 ARG A 25 1.394 0.637 8.731 1.00 0.00 H new ATOM 0 HE ARG A 25 2.519 2.601 9.301 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -0.949 3.216 8.984 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -0.836 4.845 9.658 1.00 0.00 H new ATOM 0 HH21 ARG A 25 2.650 4.694 10.162 1.00 0.00 H new ATOM 0 HH22 ARG A 25 1.190 5.676 10.321 1.00 0.00 H new ATOM 351 N TYR A 26 1.169 -2.571 5.291 1.00 0.00 N ATOM 352 CA TYR A 26 0.876 -3.999 5.287 1.00 0.00 C ATOM 353 C TYR A 26 1.816 -4.743 4.343 1.00 0.00 C ATOM 354 O TYR A 26 2.185 -4.230 3.287 1.00 0.00 O ATOM 355 CB TYR A 26 -0.576 -4.242 4.875 1.00 0.00 C ATOM 356 CG TYR A 26 -1.111 -5.589 5.307 1.00 0.00 C ATOM 357 CD1 TYR A 26 -1.176 -5.933 6.652 1.00 0.00 C ATOM 358 CD2 TYR A 26 -1.552 -6.516 4.371 1.00 0.00 C ATOM 359 CE1 TYR A 26 -1.664 -7.162 7.051 1.00 0.00 C ATOM 360 CE2 TYR A 26 -2.043 -7.747 4.763 1.00 0.00 C ATOM 361 CZ TYR A 26 -2.097 -8.066 6.103 1.00 0.00 C ATOM 362 OH TYR A 26 -2.584 -9.291 6.496 1.00 0.00 O ATOM 0 H TYR A 26 1.250 -2.154 4.364 1.00 0.00 H new ATOM 0 HA TYR A 26 1.027 -4.379 6.297 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -1.202 -3.458 5.302 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -0.656 -4.159 3.791 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -0.839 -5.228 7.397 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -1.510 -6.271 3.320 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -1.706 -7.414 8.100 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -2.383 -8.456 4.023 1.00 0.00 H new ATOM 0 HH TYR A 26 -2.847 -9.807 5.706 1.00 0.00 H new ATOM 372 N VAL A 27 2.201 -5.952 4.734 1.00 0.00 N ATOM 373 CA VAL A 27 3.100 -6.765 3.924 1.00 0.00 C ATOM 374 C VAL A 27 2.749 -8.246 4.035 1.00 0.00 C ATOM 375 O VAL A 27 2.702 -8.803 5.132 1.00 0.00 O ATOM 376 CB VAL A 27 4.569 -6.562 4.340 1.00 0.00 C ATOM 377 CG1 VAL A 27 5.502 -7.326 3.413 1.00 0.00 C ATOM 378 CG2 VAL A 27 4.917 -5.081 4.355 1.00 0.00 C ATOM 0 H VAL A 27 1.905 -6.391 5.606 1.00 0.00 H new ATOM 0 HA VAL A 27 2.977 -6.442 2.890 1.00 0.00 H new ATOM 0 HB VAL A 27 4.698 -6.955 5.348 1.00 0.00 H new ATOM 0 HG11 VAL A 27 6.534 -7.168 3.725 1.00 0.00 H new ATOM 0 HG12 VAL A 27 5.268 -8.390 3.457 1.00 0.00 H new ATOM 0 HG13 VAL A 27 5.373 -6.968 2.391 1.00 0.00 H new ATOM 0 HG21 VAL A 27 5.958 -4.955 4.651 1.00 0.00 H new ATOM 0 HG22 VAL A 27 4.769 -4.662 3.359 1.00 0.00 H new ATOM 0 HG23 VAL A 27 4.273 -4.563 5.065 1.00 0.00 H new ATOM 388 N GLY A 28 2.503 -8.878 2.893 1.00 0.00 N ATOM 389 CA GLY A 28 2.160 -10.287 2.882 1.00 0.00 C ATOM 390 C GLY A 28 1.100 -10.618 1.849 1.00 0.00 C ATOM 391 O GLY A 28 0.915 -9.879 0.882 1.00 0.00 O ATOM 0 H GLY A 28 2.535 -8.438 1.973 1.00 0.00 H new ATOM 0 HA2 GLY A 28 3.056 -10.874 2.680 1.00 0.00 H new ATOM 0 HA3 GLY A 28 1.804 -10.579 3.870 1.00 0.00 H new ATOM 395 N GLU A 29 0.404 -11.731 2.054 1.00 0.00 N ATOM 396 CA GLU A 29 -0.642 -12.157 1.133 1.00 0.00 C ATOM 397 C GLU A 29 -1.990 -11.558 1.525 1.00 0.00 C ATOM 398 O GLU A 29 -2.077 -10.755 2.453 1.00 0.00 O ATOM 399 CB GLU A 29 -0.738 -13.683 1.106 1.00 0.00 C ATOM 400 CG GLU A 29 0.590 -14.371 0.837 1.00 0.00 C ATOM 401 CD GLU A 29 0.428 -15.834 0.473 1.00 0.00 C ATOM 402 OE1 GLU A 29 -0.225 -16.568 1.244 1.00 0.00 O ATOM 403 OE2 GLU A 29 0.953 -16.244 -0.583 1.00 0.00 O ATOM 0 H GLU A 29 0.546 -12.354 2.849 1.00 0.00 H new ATOM 0 HA GLU A 29 -0.381 -11.799 0.137 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -1.131 -14.031 2.061 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -1.454 -13.980 0.339 1.00 0.00 H new ATOM 0 HG2 GLU A 29 1.105 -13.854 0.027 1.00 0.00 H new ATOM 0 HG3 GLU A 29 1.223 -14.289 1.721 1.00 0.00 H new ATOM 410 N THR A 30 -3.038 -11.954 0.810 1.00 0.00 N ATOM 411 CA THR A 30 -4.381 -11.455 1.084 1.00 0.00 C ATOM 412 C THR A 30 -5.409 -12.578 0.990 1.00 0.00 C ATOM 413 O THR A 30 -5.054 -13.749 0.854 1.00 0.00 O ATOM 414 CB THR A 30 -4.740 -10.336 0.105 1.00 0.00 C ATOM 415 OG1 THR A 30 -4.890 -10.847 -1.208 1.00 0.00 O ATOM 416 CG2 THR A 30 -3.707 -9.231 0.052 1.00 0.00 C ATOM 0 H THR A 30 -2.984 -12.618 0.038 1.00 0.00 H new ATOM 0 HA THR A 30 -4.395 -11.059 2.100 1.00 0.00 H new ATOM 0 HB THR A 30 -5.676 -9.918 0.476 1.00 0.00 H new ATOM 0 HG1 THR A 30 -5.363 -10.191 -1.762 1.00 0.00 H new ATOM 0 HG21 THR A 30 -4.024 -8.470 -0.662 1.00 0.00 H new ATOM 0 HG22 THR A 30 -3.604 -8.782 1.040 1.00 0.00 H new ATOM 0 HG23 THR A 30 -2.748 -9.644 -0.260 1.00 0.00 H new ATOM 424 N ASP A 31 -6.686 -12.214 1.064 1.00 0.00 N ATOM 425 CA ASP A 31 -7.765 -13.192 0.987 1.00 0.00 C ATOM 426 C ASP A 31 -8.759 -12.825 -0.111 1.00 0.00 C ATOM 427 O ASP A 31 -9.941 -13.155 -0.026 1.00 0.00 O ATOM 428 CB ASP A 31 -8.489 -13.289 2.332 1.00 0.00 C ATOM 429 CG ASP A 31 -9.179 -14.626 2.521 1.00 0.00 C ATOM 430 OD1 ASP A 31 -8.492 -15.603 2.884 1.00 0.00 O ATOM 431 OD2 ASP A 31 -10.407 -14.695 2.306 1.00 0.00 O ATOM 0 H ASP A 31 -6.998 -11.250 1.177 1.00 0.00 H new ATOM 0 HA ASP A 31 -7.326 -14.160 0.745 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -7.773 -13.135 3.139 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -9.226 -12.489 2.403 1.00 0.00 H new ATOM 436 N PHE A 32 -8.271 -12.143 -1.142 1.00 0.00 N ATOM 437 CA PHE A 32 -9.118 -11.736 -2.257 1.00 0.00 C ATOM 438 C PHE A 32 -8.423 -11.986 -3.592 1.00 0.00 C ATOM 439 O PHE A 32 -9.029 -12.502 -4.531 1.00 0.00 O ATOM 440 CB PHE A 32 -9.491 -10.256 -2.131 1.00 0.00 C ATOM 441 CG PHE A 32 -8.308 -9.331 -2.156 1.00 0.00 C ATOM 442 CD1 PHE A 32 -7.798 -8.871 -3.360 1.00 0.00 C ATOM 443 CD2 PHE A 32 -7.709 -8.919 -0.977 1.00 0.00 C ATOM 444 CE1 PHE A 32 -6.710 -8.018 -3.386 1.00 0.00 C ATOM 445 CE2 PHE A 32 -6.622 -8.066 -0.997 1.00 0.00 C ATOM 446 CZ PHE A 32 -6.123 -7.614 -2.203 1.00 0.00 C ATOM 0 H PHE A 32 -7.295 -11.861 -1.228 1.00 0.00 H new ATOM 0 HA PHE A 32 -10.027 -12.336 -2.225 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -10.166 -9.990 -2.944 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -10.038 -10.106 -1.200 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -8.255 -9.182 -4.288 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -8.096 -9.268 -0.031 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -6.320 -7.668 -4.330 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -6.163 -7.753 -0.071 1.00 0.00 H new ATOM 0 HZ PHE A 32 -5.275 -6.946 -2.221 1.00 0.00 H new ATOM 456 N ALA A 33 -7.148 -11.618 -3.669 1.00 0.00 N ATOM 457 CA ALA A 33 -6.371 -11.803 -4.888 1.00 0.00 C ATOM 458 C ALA A 33 -5.233 -12.794 -4.668 1.00 0.00 C ATOM 459 O ALA A 33 -4.981 -13.224 -3.542 1.00 0.00 O ATOM 460 CB ALA A 33 -5.826 -10.469 -5.374 1.00 0.00 C ATOM 0 H ALA A 33 -6.631 -11.190 -2.901 1.00 0.00 H new ATOM 0 HA ALA A 33 -7.032 -12.213 -5.652 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -5.248 -10.622 -6.285 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -6.654 -9.791 -5.580 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -5.185 -10.036 -4.606 1.00 0.00 H new ATOM 466 N LYS A 34 -4.549 -13.152 -5.749 1.00 0.00 N ATOM 467 CA LYS A 34 -3.436 -14.092 -5.673 1.00 0.00 C ATOM 468 C LYS A 34 -2.100 -13.362 -5.765 1.00 0.00 C ATOM 469 O LYS A 34 -1.992 -12.325 -6.417 1.00 0.00 O ATOM 470 CB LYS A 34 -3.542 -15.132 -6.790 1.00 0.00 C ATOM 471 CG LYS A 34 -4.386 -16.339 -6.418 1.00 0.00 C ATOM 472 CD LYS A 34 -5.048 -16.954 -7.641 1.00 0.00 C ATOM 473 CE LYS A 34 -5.125 -18.468 -7.531 1.00 0.00 C ATOM 474 NZ LYS A 34 -5.689 -18.903 -6.223 1.00 0.00 N ATOM 0 H LYS A 34 -4.745 -12.806 -6.688 1.00 0.00 H new ATOM 0 HA LYS A 34 -3.486 -14.599 -4.709 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -3.968 -14.660 -7.675 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -2.540 -15.468 -7.059 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -3.760 -17.085 -5.928 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -5.150 -16.042 -5.700 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -6.052 -16.545 -7.757 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -4.488 -16.681 -8.535 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -5.741 -18.860 -8.340 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -4.129 -18.892 -7.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -6.023 -19.885 -6.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -4.953 -18.843 -5.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -6.485 -18.285 -5.965 1.00 0.00 H new ATOM 488 N GLY A 35 -1.084 -13.914 -5.108 1.00 0.00 N ATOM 489 CA GLY A 35 0.232 -13.303 -5.129 1.00 0.00 C ATOM 490 C GLY A 35 0.528 -12.518 -3.866 1.00 0.00 C ATOM 491 O GLY A 35 -0.160 -12.672 -2.856 1.00 0.00 O ATOM 0 H GLY A 35 -1.149 -14.773 -4.562 1.00 0.00 H new ATOM 0 HA2 GLY A 35 0.987 -14.079 -5.256 1.00 0.00 H new ATOM 0 HA3 GLY A 35 0.308 -12.640 -5.991 1.00 0.00 H new ATOM 495 N GLU A 36 1.555 -11.676 -3.922 1.00 0.00 N ATOM 496 CA GLU A 36 1.940 -10.864 -2.773 1.00 0.00 C ATOM 497 C GLU A 36 1.446 -9.430 -2.928 1.00 0.00 C ATOM 498 O GLU A 36 1.541 -8.844 -4.007 1.00 0.00 O ATOM 499 CB GLU A 36 3.461 -10.877 -2.602 1.00 0.00 C ATOM 500 CG GLU A 36 3.909 -10.869 -1.149 1.00 0.00 C ATOM 501 CD GLU A 36 5.007 -11.878 -0.872 1.00 0.00 C ATOM 502 OE1 GLU A 36 4.678 -13.039 -0.549 1.00 0.00 O ATOM 503 OE2 GLU A 36 6.195 -11.508 -0.976 1.00 0.00 O ATOM 0 H GLU A 36 2.135 -11.538 -4.750 1.00 0.00 H new ATOM 0 HA GLU A 36 1.476 -11.293 -1.885 1.00 0.00 H new ATOM 0 HB2 GLU A 36 3.866 -11.761 -3.094 1.00 0.00 H new ATOM 0 HB3 GLU A 36 3.883 -10.009 -3.109 1.00 0.00 H new ATOM 0 HG2 GLU A 36 4.262 -9.872 -0.887 1.00 0.00 H new ATOM 0 HG3 GLU A 36 3.054 -11.083 -0.508 1.00 0.00 H new ATOM 510 N TRP A 37 0.919 -8.871 -1.844 1.00 0.00 N ATOM 511 CA TRP A 37 0.410 -7.505 -1.859 1.00 0.00 C ATOM 512 C TRP A 37 0.952 -6.709 -0.677 1.00 0.00 C ATOM 513 O TRP A 37 1.198 -7.261 0.396 1.00 0.00 O ATOM 514 CB TRP A 37 -1.119 -7.508 -1.828 1.00 0.00 C ATOM 515 CG TRP A 37 -1.737 -8.133 -3.042 1.00 0.00 C ATOM 516 CD1 TRP A 37 -1.844 -9.467 -3.313 1.00 0.00 C ATOM 517 CD2 TRP A 37 -2.331 -7.449 -4.150 1.00 0.00 C ATOM 518 NE1 TRP A 37 -2.470 -9.654 -4.522 1.00 0.00 N ATOM 519 CE2 TRP A 37 -2.779 -8.430 -5.055 1.00 0.00 C ATOM 520 CE3 TRP A 37 -2.531 -6.102 -4.465 1.00 0.00 C ATOM 521 CZ2 TRP A 37 -3.412 -8.106 -6.253 1.00 0.00 C ATOM 522 CZ3 TRP A 37 -3.159 -5.781 -5.654 1.00 0.00 C ATOM 523 CH2 TRP A 37 -3.594 -6.779 -6.534 1.00 0.00 C ATOM 0 H TRP A 37 0.833 -9.343 -0.944 1.00 0.00 H new ATOM 0 HA TRP A 37 0.747 -7.029 -2.780 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -1.456 -8.044 -0.941 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -1.475 -6.482 -1.735 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -1.489 -10.259 -2.671 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -2.672 -10.557 -4.952 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -2.201 -5.325 -3.791 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -3.747 -8.874 -6.935 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -3.317 -4.743 -5.908 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -4.084 -6.496 -7.454 1.00 0.00 H new ATOM 534 N CYS A 38 1.136 -5.409 -0.879 1.00 0.00 N ATOM 535 CA CYS A 38 1.650 -4.537 0.171 1.00 0.00 C ATOM 536 C CYS A 38 0.823 -3.258 0.269 1.00 0.00 C ATOM 537 O CYS A 38 0.702 -2.510 -0.701 1.00 0.00 O ATOM 538 CB CYS A 38 3.115 -4.191 -0.095 1.00 0.00 C ATOM 539 SG CYS A 38 4.292 -5.335 0.663 1.00 0.00 S ATOM 0 H CYS A 38 0.937 -4.936 -1.760 1.00 0.00 H new ATOM 0 HA CYS A 38 1.577 -5.070 1.119 1.00 0.00 H new ATOM 0 HB2 CYS A 38 3.283 -4.174 -1.172 1.00 0.00 H new ATOM 0 HB3 CYS A 38 3.313 -3.185 0.275 1.00 0.00 H new ATOM 0 HG CYS A 38 5.504 -4.961 0.380 1.00 0.00 H new ATOM 545 N GLY A 39 0.257 -3.014 1.446 1.00 0.00 N ATOM 546 CA GLY A 39 -0.550 -1.825 1.649 1.00 0.00 C ATOM 547 C GLY A 39 0.289 -0.570 1.777 1.00 0.00 C ATOM 548 O GLY A 39 1.240 -0.528 2.558 1.00 0.00 O ATOM 0 H GLY A 39 0.343 -3.618 2.263 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.242 -1.712 0.814 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -1.153 -1.948 2.548 1.00 0.00 H new ATOM 552 N VAL A 40 -0.063 0.455 1.009 1.00 0.00 N ATOM 553 CA VAL A 40 0.666 1.718 1.038 1.00 0.00 C ATOM 554 C VAL A 40 -0.191 2.832 1.631 1.00 0.00 C ATOM 555 O VAL A 40 -1.388 2.921 1.358 1.00 0.00 O ATOM 556 CB VAL A 40 1.126 2.134 -0.371 1.00 0.00 C ATOM 557 CG1 VAL A 40 2.040 3.347 -0.300 1.00 0.00 C ATOM 558 CG2 VAL A 40 1.818 0.975 -1.071 1.00 0.00 C ATOM 0 H VAL A 40 -0.849 0.436 0.359 1.00 0.00 H new ATOM 0 HA VAL A 40 1.543 1.563 1.666 1.00 0.00 H new ATOM 0 HB VAL A 40 0.246 2.407 -0.954 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.354 3.625 -1.306 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.505 4.180 0.156 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.917 3.107 0.301 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.136 1.288 -2.065 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.689 0.668 -0.492 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.126 0.137 -1.158 1.00 0.00 H new ATOM 568 N GLU A 41 0.431 3.680 2.443 1.00 0.00 N ATOM 569 CA GLU A 41 -0.273 4.790 3.075 1.00 0.00 C ATOM 570 C GLU A 41 0.195 6.126 2.507 1.00 0.00 C ATOM 571 O GLU A 41 1.291 6.593 2.817 1.00 0.00 O ATOM 572 CB GLU A 41 -0.056 4.763 4.590 1.00 0.00 C ATOM 573 CG GLU A 41 -1.084 5.568 5.367 1.00 0.00 C ATOM 574 CD GLU A 41 -0.552 6.916 5.814 1.00 0.00 C ATOM 575 OE1 GLU A 41 0.672 7.025 6.037 1.00 0.00 O ATOM 576 OE2 GLU A 41 -1.359 7.859 5.942 1.00 0.00 O ATOM 0 H GLU A 41 1.421 3.620 2.679 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.337 4.679 2.865 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -0.082 3.729 4.934 1.00 0.00 H new ATOM 0 HB3 GLU A 41 0.939 5.149 4.813 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.967 5.718 4.746 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -1.401 4.999 6.241 1.00 0.00 H new ATOM 583 N LEU A 42 -0.641 6.733 1.672 1.00 0.00 N ATOM 584 CA LEU A 42 -0.312 8.016 1.060 1.00 0.00 C ATOM 585 C LEU A 42 -0.425 9.149 2.074 1.00 0.00 C ATOM 586 O LEU A 42 -1.011 8.982 3.144 1.00 0.00 O ATOM 587 CB LEU A 42 -1.235 8.286 -0.130 1.00 0.00 C ATOM 588 CG LEU A 42 -1.288 7.170 -1.175 1.00 0.00 C ATOM 589 CD1 LEU A 42 -2.349 7.471 -2.223 1.00 0.00 C ATOM 590 CD2 LEU A 42 0.073 6.990 -1.829 1.00 0.00 C ATOM 0 H LEU A 42 -1.551 6.358 1.403 1.00 0.00 H new ATOM 0 HA LEU A 42 0.719 7.970 0.710 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.244 8.460 0.244 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -0.913 9.206 -0.619 1.00 0.00 H new ATOM 0 HG LEU A 42 -1.555 6.240 -0.674 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.373 6.667 -2.958 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.324 7.551 -1.741 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -2.112 8.411 -2.721 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.018 6.192 -2.570 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.368 7.919 -2.317 1.00 0.00 H new ATOM 0 HD23 LEU A 42 0.810 6.730 -1.069 1.00 0.00 H new ATOM 602 N ASP A 43 0.140 10.302 1.731 1.00 0.00 N ATOM 603 CA ASP A 43 0.104 11.463 2.612 1.00 0.00 C ATOM 604 C ASP A 43 -1.099 12.347 2.297 1.00 0.00 C ATOM 605 O ASP A 43 -1.653 12.997 3.184 1.00 0.00 O ATOM 606 CB ASP A 43 1.396 12.272 2.478 1.00 0.00 C ATOM 607 CG ASP A 43 2.577 11.591 3.141 1.00 0.00 C ATOM 608 OD1 ASP A 43 2.997 10.523 2.651 1.00 0.00 O ATOM 609 OD2 ASP A 43 3.079 12.126 4.151 1.00 0.00 O ATOM 0 H ASP A 43 0.628 10.457 0.849 1.00 0.00 H new ATOM 0 HA ASP A 43 0.012 11.107 3.638 1.00 0.00 H new ATOM 0 HB2 ASP A 43 1.616 12.427 1.422 1.00 0.00 H new ATOM 0 HB3 ASP A 43 1.252 13.257 2.922 1.00 0.00 H new ATOM 614 N GLU A 44 -1.497 12.366 1.029 1.00 0.00 N ATOM 615 CA GLU A 44 -2.635 13.170 0.596 1.00 0.00 C ATOM 616 C GLU A 44 -3.788 12.279 0.143 1.00 0.00 C ATOM 617 O GLU A 44 -3.576 11.143 -0.282 1.00 0.00 O ATOM 618 CB GLU A 44 -2.221 14.108 -0.539 1.00 0.00 C ATOM 619 CG GLU A 44 -1.761 15.476 -0.061 1.00 0.00 C ATOM 620 CD GLU A 44 -1.294 16.364 -1.197 1.00 0.00 C ATOM 621 OE1 GLU A 44 -2.146 17.035 -1.816 1.00 0.00 O ATOM 622 OE2 GLU A 44 -0.075 16.388 -1.468 1.00 0.00 O ATOM 0 H GLU A 44 -1.049 11.834 0.283 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.972 13.766 1.444 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -1.417 13.642 -1.109 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -3.063 14.234 -1.220 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -2.579 15.967 0.466 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.949 15.352 0.656 1.00 0.00 H new ATOM 629 N PRO A 45 -5.030 12.786 0.226 1.00 0.00 N ATOM 630 CA PRO A 45 -6.220 12.030 -0.178 1.00 0.00 C ATOM 631 C PRO A 45 -6.109 11.493 -1.602 1.00 0.00 C ATOM 632 O PRO A 45 -6.522 12.150 -2.558 1.00 0.00 O ATOM 633 CB PRO A 45 -7.349 13.059 -0.083 1.00 0.00 C ATOM 634 CG PRO A 45 -6.863 14.068 0.900 1.00 0.00 C ATOM 635 CD PRO A 45 -5.372 14.132 0.721 1.00 0.00 C ATOM 0 HA PRO A 45 -6.374 11.151 0.448 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -7.550 13.516 -1.052 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -8.278 12.597 0.251 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -7.320 15.041 0.720 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -7.122 13.778 1.918 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -5.085 14.907 0.010 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -4.864 14.357 1.659 1.00 0.00 H new ATOM 643 N LEU A 46 -5.549 10.296 -1.735 1.00 0.00 N ATOM 644 CA LEU A 46 -5.384 9.670 -3.041 1.00 0.00 C ATOM 645 C LEU A 46 -5.512 8.153 -2.938 1.00 0.00 C ATOM 646 O LEU A 46 -4.892 7.415 -3.704 1.00 0.00 O ATOM 647 CB LEU A 46 -4.025 10.039 -3.639 1.00 0.00 C ATOM 648 CG LEU A 46 -3.883 11.498 -4.074 1.00 0.00 C ATOM 649 CD1 LEU A 46 -2.419 11.858 -4.265 1.00 0.00 C ATOM 650 CD2 LEU A 46 -4.668 11.750 -5.353 1.00 0.00 C ATOM 0 H LEU A 46 -5.202 9.740 -0.954 1.00 0.00 H new ATOM 0 HA LEU A 46 -6.174 10.040 -3.695 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.250 9.818 -2.905 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -3.839 9.399 -4.502 1.00 0.00 H new ATOM 0 HG LEU A 46 -4.292 12.134 -3.288 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.338 12.900 -4.575 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -1.884 11.716 -3.326 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -1.984 11.217 -5.032 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.556 12.793 -5.649 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -4.289 11.105 -6.146 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -5.722 11.532 -5.182 1.00 0.00 H new ATOM 662 N GLY A 47 -6.321 7.696 -1.988 1.00 0.00 N ATOM 663 CA GLY A 47 -6.516 6.269 -1.803 1.00 0.00 C ATOM 664 C GLY A 47 -7.909 5.818 -2.195 1.00 0.00 C ATOM 665 O GLY A 47 -8.713 6.615 -2.680 1.00 0.00 O ATOM 0 H GLY A 47 -6.845 8.287 -1.343 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -5.781 5.725 -2.396 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -6.335 6.013 -0.759 1.00 0.00 H new ATOM 669 N LYS A 48 -8.195 4.537 -1.987 1.00 0.00 N ATOM 670 CA LYS A 48 -9.500 3.980 -2.321 1.00 0.00 C ATOM 671 C LYS A 48 -10.246 3.546 -1.064 1.00 0.00 C ATOM 672 O LYS A 48 -11.465 3.695 -0.970 1.00 0.00 O ATOM 673 CB LYS A 48 -9.342 2.791 -3.270 1.00 0.00 C ATOM 674 CG LYS A 48 -8.819 3.174 -4.644 1.00 0.00 C ATOM 675 CD LYS A 48 -9.928 3.173 -5.685 1.00 0.00 C ATOM 676 CE LYS A 48 -10.438 4.578 -5.959 1.00 0.00 C ATOM 677 NZ LYS A 48 -9.865 5.143 -7.212 1.00 0.00 N ATOM 0 H LYS A 48 -7.540 3.865 -1.588 1.00 0.00 H new ATOM 0 HA LYS A 48 -10.082 4.757 -2.816 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.663 2.066 -2.821 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -10.307 2.296 -3.383 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.363 4.163 -4.598 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -8.037 2.476 -4.944 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -9.559 2.732 -6.611 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -10.751 2.547 -5.340 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -11.525 4.561 -6.032 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -10.185 5.226 -5.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -10.238 6.102 -7.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -8.829 5.183 -7.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -10.128 4.539 -8.017 1.00 0.00 H new ATOM 691 N ASN A 49 -9.506 3.009 -0.098 1.00 0.00 N ATOM 692 CA ASN A 49 -10.098 2.554 1.154 1.00 0.00 C ATOM 693 C ASN A 49 -9.190 2.880 2.336 1.00 0.00 C ATOM 694 O ASN A 49 -8.169 3.550 2.180 1.00 0.00 O ATOM 695 CB ASN A 49 -10.361 1.048 1.100 1.00 0.00 C ATOM 696 CG ASN A 49 -11.213 0.653 -0.092 1.00 0.00 C ATOM 697 OD1 ASN A 49 -12.346 1.111 -0.238 1.00 0.00 O ATOM 698 ND2 ASN A 49 -10.670 -0.203 -0.949 1.00 0.00 N ATOM 0 H ASN A 49 -8.496 2.879 -0.159 1.00 0.00 H new ATOM 0 HA ASN A 49 -11.044 3.077 1.290 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -9.410 0.517 1.056 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -10.858 0.735 2.018 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -11.196 -0.507 -1.769 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -9.727 -0.557 -0.788 1.00 0.00 H new ATOM 705 N ASP A 50 -9.568 2.402 3.517 1.00 0.00 N ATOM 706 CA ASP A 50 -8.788 2.642 4.724 1.00 0.00 C ATOM 707 C ASP A 50 -7.985 1.404 5.109 1.00 0.00 C ATOM 708 O ASP A 50 -7.878 1.061 6.286 1.00 0.00 O ATOM 709 CB ASP A 50 -9.707 3.048 5.878 1.00 0.00 C ATOM 710 CG ASP A 50 -10.907 2.129 6.013 1.00 0.00 C ATOM 711 OD1 ASP A 50 -11.901 2.341 5.286 1.00 0.00 O ATOM 712 OD2 ASP A 50 -10.852 1.199 6.844 1.00 0.00 O ATOM 0 H ASP A 50 -10.410 1.846 3.663 1.00 0.00 H new ATOM 0 HA ASP A 50 -8.091 3.455 4.520 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -9.141 3.041 6.809 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -10.051 4.070 5.722 1.00 0.00 H new ATOM 717 N GLY A 51 -7.422 0.735 4.107 1.00 0.00 N ATOM 718 CA GLY A 51 -6.636 -0.458 4.360 1.00 0.00 C ATOM 719 C GLY A 51 -7.495 -1.648 4.742 1.00 0.00 C ATOM 720 O GLY A 51 -7.045 -2.544 5.455 1.00 0.00 O ATOM 0 H GLY A 51 -7.497 0.998 3.124 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -6.056 -0.703 3.470 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -5.923 -0.257 5.160 1.00 0.00 H new ATOM 724 N ALA A 52 -8.736 -1.656 4.266 1.00 0.00 N ATOM 725 CA ALA A 52 -9.660 -2.745 4.560 1.00 0.00 C ATOM 726 C ALA A 52 -10.321 -3.264 3.288 1.00 0.00 C ATOM 727 O ALA A 52 -10.952 -2.506 2.551 1.00 0.00 O ATOM 728 CB ALA A 52 -10.715 -2.284 5.556 1.00 0.00 C ATOM 0 H ALA A 52 -9.125 -0.921 3.675 1.00 0.00 H new ATOM 0 HA ALA A 52 -9.091 -3.564 5.001 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -11.399 -3.106 5.768 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -10.230 -1.968 6.480 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -11.272 -1.447 5.135 1.00 0.00 H new ATOM 734 N VAL A 53 -10.171 -4.560 3.036 1.00 0.00 N ATOM 735 CA VAL A 53 -10.753 -5.181 1.852 1.00 0.00 C ATOM 736 C VAL A 53 -11.821 -6.199 2.237 1.00 0.00 C ATOM 737 O VAL A 53 -11.586 -7.078 3.066 1.00 0.00 O ATOM 738 CB VAL A 53 -9.678 -5.879 0.997 1.00 0.00 C ATOM 739 CG1 VAL A 53 -10.274 -6.379 -0.310 1.00 0.00 C ATOM 740 CG2 VAL A 53 -8.510 -4.940 0.732 1.00 0.00 C ATOM 0 H VAL A 53 -9.651 -5.201 3.636 1.00 0.00 H new ATOM 0 HA VAL A 53 -11.209 -4.383 1.266 1.00 0.00 H new ATOM 0 HB VAL A 53 -9.304 -6.739 1.552 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -9.499 -6.869 -0.899 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -11.072 -7.090 -0.097 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -10.679 -5.537 -0.871 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -7.762 -5.452 0.127 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -8.866 -4.058 0.200 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -8.065 -4.637 1.680 1.00 0.00 H new ATOM 750 N ALA A 54 -12.995 -6.076 1.627 1.00 0.00 N ATOM 751 CA ALA A 54 -14.100 -6.986 1.905 1.00 0.00 C ATOM 752 C ALA A 54 -14.498 -6.932 3.376 1.00 0.00 C ATOM 753 O ALA A 54 -14.698 -7.966 4.014 1.00 0.00 O ATOM 754 CB ALA A 54 -13.726 -8.406 1.507 1.00 0.00 C ATOM 0 H ALA A 54 -13.206 -5.355 0.937 1.00 0.00 H new ATOM 0 HA ALA A 54 -14.958 -6.669 1.313 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -14.560 -9.075 1.720 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -13.499 -8.437 0.441 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -12.851 -8.724 2.074 1.00 0.00 H new ATOM 760 N GLY A 55 -14.610 -5.720 3.909 1.00 0.00 N ATOM 761 CA GLY A 55 -14.984 -5.554 5.301 1.00 0.00 C ATOM 762 C GLY A 55 -13.978 -6.175 6.251 1.00 0.00 C ATOM 763 O GLY A 55 -14.330 -6.590 7.355 1.00 0.00 O ATOM 0 H GLY A 55 -14.448 -4.850 3.402 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -15.081 -4.491 5.524 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -15.962 -6.005 5.467 1.00 0.00 H new ATOM 767 N THR A 56 -12.722 -6.237 5.820 1.00 0.00 N ATOM 768 CA THR A 56 -11.662 -6.811 6.639 1.00 0.00 C ATOM 769 C THR A 56 -10.458 -5.876 6.705 1.00 0.00 C ATOM 770 O THR A 56 -9.645 -5.827 5.782 1.00 0.00 O ATOM 771 CB THR A 56 -11.236 -8.170 6.080 1.00 0.00 C ATOM 772 OG1 THR A 56 -12.367 -8.932 5.699 1.00 0.00 O ATOM 773 CG2 THR A 56 -10.435 -8.996 7.063 1.00 0.00 C ATOM 0 H THR A 56 -12.414 -5.897 4.909 1.00 0.00 H new ATOM 0 HA THR A 56 -12.050 -6.946 7.648 1.00 0.00 H new ATOM 0 HB THR A 56 -10.605 -7.944 5.221 1.00 0.00 H new ATOM 0 HG1 THR A 56 -12.701 -8.612 4.835 1.00 0.00 H new ATOM 0 HG21 THR A 56 -10.165 -9.947 6.604 1.00 0.00 H new ATOM 0 HG22 THR A 56 -9.529 -8.456 7.339 1.00 0.00 H new ATOM 0 HG23 THR A 56 -11.033 -9.181 7.955 1.00 0.00 H new ATOM 781 N ARG A 57 -10.351 -5.134 7.803 1.00 0.00 N ATOM 782 CA ARG A 57 -9.247 -4.200 7.989 1.00 0.00 C ATOM 783 C ARG A 57 -7.999 -4.924 8.484 1.00 0.00 C ATOM 784 O ARG A 57 -7.981 -5.466 9.589 1.00 0.00 O ATOM 785 CB ARG A 57 -9.642 -3.102 8.980 1.00 0.00 C ATOM 786 CG ARG A 57 -8.601 -2.002 9.113 1.00 0.00 C ATOM 787 CD ARG A 57 -9.165 -0.647 8.715 1.00 0.00 C ATOM 788 NE ARG A 57 -10.453 -0.381 9.353 1.00 0.00 N ATOM 789 CZ ARG A 57 -10.596 -0.102 10.647 1.00 0.00 C ATOM 790 NH1 ARG A 57 -9.536 -0.049 11.443 1.00 0.00 N ATOM 791 NH2 ARG A 57 -11.803 0.127 11.145 1.00 0.00 N ATOM 0 H ARG A 57 -11.015 -5.162 8.577 1.00 0.00 H new ATOM 0 HA ARG A 57 -9.022 -3.745 7.024 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -10.587 -2.661 8.663 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -9.812 -3.551 9.959 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -8.244 -1.960 10.142 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -7.740 -2.237 8.487 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -8.457 0.135 8.988 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -9.282 -0.607 7.632 1.00 0.00 H new ATOM 0 HE ARG A 57 -11.291 -0.411 8.773 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -8.605 -0.222 11.065 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -9.652 0.165 12.433 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -12.621 0.089 10.537 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -11.914 0.341 12.136 1.00 0.00 H new ATOM 805 N TYR A 58 -6.957 -4.927 7.659 1.00 0.00 N ATOM 806 CA TYR A 58 -5.704 -5.584 8.014 1.00 0.00 C ATOM 807 C TYR A 58 -4.851 -4.685 8.902 1.00 0.00 C ATOM 808 O TYR A 58 -4.238 -5.148 9.865 1.00 0.00 O ATOM 809 CB TYR A 58 -4.926 -5.959 6.751 1.00 0.00 C ATOM 810 CG TYR A 58 -5.766 -6.661 5.708 1.00 0.00 C ATOM 811 CD1 TYR A 58 -6.541 -5.938 4.810 1.00 0.00 C ATOM 812 CD2 TYR A 58 -5.784 -8.048 5.622 1.00 0.00 C ATOM 813 CE1 TYR A 58 -7.310 -6.576 3.856 1.00 0.00 C ATOM 814 CE2 TYR A 58 -6.550 -8.693 4.669 1.00 0.00 C ATOM 815 CZ TYR A 58 -7.311 -7.954 3.790 1.00 0.00 C ATOM 816 OH TYR A 58 -8.075 -8.593 2.841 1.00 0.00 O ATOM 0 H TYR A 58 -6.955 -4.482 6.741 1.00 0.00 H new ATOM 0 HA TYR A 58 -5.942 -6.491 8.569 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -4.501 -5.055 6.315 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -4.091 -6.603 7.027 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -6.542 -4.859 4.858 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -5.190 -8.631 6.310 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -7.907 -5.999 3.165 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -6.552 -9.772 4.614 1.00 0.00 H new ATOM 0 HH TYR A 58 -7.962 -9.563 2.929 1.00 0.00 H new ATOM 826 N PHE A 59 -4.815 -3.398 8.574 1.00 0.00 N ATOM 827 CA PHE A 59 -4.037 -2.433 9.342 1.00 0.00 C ATOM 828 C PHE A 59 -4.841 -1.161 9.589 1.00 0.00 C ATOM 829 O PHE A 59 -5.519 -0.659 8.693 1.00 0.00 O ATOM 830 CB PHE A 59 -2.737 -2.096 8.610 1.00 0.00 C ATOM 831 CG PHE A 59 -2.953 -1.457 7.267 1.00 0.00 C ATOM 832 CD1 PHE A 59 -3.211 -2.233 6.149 1.00 0.00 C ATOM 833 CD2 PHE A 59 -2.898 -0.079 7.124 1.00 0.00 C ATOM 834 CE1 PHE A 59 -3.411 -1.648 4.913 1.00 0.00 C ATOM 835 CE2 PHE A 59 -3.096 0.511 5.891 1.00 0.00 C ATOM 836 CZ PHE A 59 -3.353 -0.274 4.784 1.00 0.00 C ATOM 0 H PHE A 59 -5.316 -2.999 7.780 1.00 0.00 H new ATOM 0 HA PHE A 59 -3.796 -2.882 10.306 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -2.143 -1.426 9.231 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -2.156 -3.009 8.480 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -3.256 -3.308 6.244 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -2.698 0.540 7.986 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -3.612 -2.264 4.049 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -3.050 1.586 5.793 1.00 0.00 H new ATOM 0 HZ PHE A 59 -3.508 0.186 3.819 1.00 0.00 H new ATOM 846 N GLN A 60 -4.759 -0.643 10.811 1.00 0.00 N ATOM 847 CA GLN A 60 -5.479 0.571 11.176 1.00 0.00 C ATOM 848 C GLN A 60 -5.040 1.746 10.307 1.00 0.00 C ATOM 849 O GLN A 60 -3.848 1.950 10.077 1.00 0.00 O ATOM 850 CB GLN A 60 -5.251 0.901 12.652 1.00 0.00 C ATOM 851 CG GLN A 60 -6.043 2.103 13.137 1.00 0.00 C ATOM 852 CD GLN A 60 -7.540 1.913 12.989 1.00 0.00 C ATOM 853 OE1 GLN A 60 -8.130 1.029 13.610 1.00 0.00 O ATOM 854 NE2 GLN A 60 -8.162 2.745 12.162 1.00 0.00 N ATOM 0 H GLN A 60 -4.201 -1.045 11.564 1.00 0.00 H new ATOM 0 HA GLN A 60 -6.542 0.396 11.010 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -5.518 0.033 13.255 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -4.189 1.087 12.814 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -5.806 2.291 14.184 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -5.735 2.986 12.577 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -7.633 3.463 11.668 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -9.169 2.666 12.021 1.00 0.00 H new ATOM 863 N CYS A 61 -6.013 2.517 9.829 1.00 0.00 N ATOM 864 CA CYS A 61 -5.727 3.673 8.986 1.00 0.00 C ATOM 865 C CYS A 61 -7.007 4.444 8.671 1.00 0.00 C ATOM 866 O CYS A 61 -8.088 3.862 8.588 1.00 0.00 O ATOM 867 CB CYS A 61 -5.049 3.229 7.688 1.00 0.00 C ATOM 868 SG CYS A 61 -3.261 3.497 7.661 1.00 0.00 S ATOM 0 H CYS A 61 -7.005 2.362 10.011 1.00 0.00 H new ATOM 0 HA CYS A 61 -5.052 4.333 9.531 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -5.249 2.169 7.530 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -5.499 3.766 6.853 1.00 0.00 H new ATOM 0 HG CYS A 61 -2.660 2.387 7.349 1.00 0.00 H new ATOM 874 N PRO A 62 -6.900 5.773 8.491 1.00 0.00 N ATOM 875 CA PRO A 62 -8.054 6.623 8.184 1.00 0.00 C ATOM 876 C PRO A 62 -8.540 6.446 6.748 1.00 0.00 C ATOM 877 O PRO A 62 -7.836 5.884 5.910 1.00 0.00 O ATOM 878 CB PRO A 62 -7.513 8.036 8.395 1.00 0.00 C ATOM 879 CG PRO A 62 -6.054 7.925 8.120 1.00 0.00 C ATOM 880 CD PRO A 62 -5.647 6.548 8.573 1.00 0.00 C ATOM 0 HA PRO A 62 -8.917 6.383 8.806 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -7.990 8.748 7.721 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -7.699 8.384 9.411 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -5.846 8.064 7.059 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -5.497 8.692 8.657 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -4.872 6.127 7.932 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -5.249 6.561 9.588 1.00 0.00 H new ATOM 888 N PRO A 63 -9.759 6.926 6.445 1.00 0.00 N ATOM 889 CA PRO A 63 -10.340 6.818 5.101 1.00 0.00 C ATOM 890 C PRO A 63 -9.497 7.531 4.049 1.00 0.00 C ATOM 891 O PRO A 63 -8.917 8.584 4.313 1.00 0.00 O ATOM 892 CB PRO A 63 -11.709 7.497 5.238 1.00 0.00 C ATOM 893 CG PRO A 63 -11.999 7.498 6.700 1.00 0.00 C ATOM 894 CD PRO A 63 -10.666 7.606 7.383 1.00 0.00 C ATOM 0 HA PRO A 63 -10.399 5.781 4.769 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -11.687 8.512 4.840 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -12.475 6.954 4.685 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -12.645 8.333 6.970 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -12.517 6.586 6.996 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -10.377 8.645 7.543 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -10.673 7.123 8.360 1.00 0.00 H new ATOM 902 N LYS A 64 -9.439 6.952 2.853 1.00 0.00 N ATOM 903 CA LYS A 64 -8.671 7.534 1.759 1.00 0.00 C ATOM 904 C LYS A 64 -7.193 7.644 2.125 1.00 0.00 C ATOM 905 O LYS A 64 -6.503 8.567 1.693 1.00 0.00 O ATOM 906 CB LYS A 64 -9.227 8.913 1.395 1.00 0.00 C ATOM 907 CG LYS A 64 -10.139 8.898 0.179 1.00 0.00 C ATOM 908 CD LYS A 64 -11.509 8.329 0.516 1.00 0.00 C ATOM 909 CE LYS A 64 -11.582 6.841 0.221 1.00 0.00 C ATOM 910 NZ LYS A 64 -12.354 6.105 1.261 1.00 0.00 N ATOM 0 H LYS A 64 -9.915 6.081 2.618 1.00 0.00 H new ATOM 0 HA LYS A 64 -8.761 6.875 0.895 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -9.778 9.310 2.247 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -8.396 9.593 1.208 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -10.250 9.912 -0.206 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -9.682 8.304 -0.612 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -11.727 8.503 1.570 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -12.273 8.853 -0.059 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -12.046 6.686 -0.753 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -10.573 6.433 0.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -12.380 5.093 1.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -11.897 6.231 2.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -13.325 6.477 1.301 1.00 0.00 H new ATOM 924 N PHE A 65 -6.713 6.696 2.923 1.00 0.00 N ATOM 925 CA PHE A 65 -5.317 6.688 3.345 1.00 0.00 C ATOM 926 C PHE A 65 -4.762 5.267 3.361 1.00 0.00 C ATOM 927 O PHE A 65 -3.980 4.904 4.241 1.00 0.00 O ATOM 928 CB PHE A 65 -5.175 7.320 4.731 1.00 0.00 C ATOM 929 CG PHE A 65 -5.100 8.820 4.701 1.00 0.00 C ATOM 930 CD1 PHE A 65 -3.955 9.460 4.251 1.00 0.00 C ATOM 931 CD2 PHE A 65 -6.172 9.590 5.122 1.00 0.00 C ATOM 932 CE1 PHE A 65 -3.883 10.840 4.222 1.00 0.00 C ATOM 933 CE2 PHE A 65 -6.106 10.969 5.095 1.00 0.00 C ATOM 934 CZ PHE A 65 -4.960 11.595 4.645 1.00 0.00 C ATOM 0 H PHE A 65 -7.269 5.924 3.290 1.00 0.00 H new ATOM 0 HA PHE A 65 -4.744 7.275 2.627 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -6.022 7.019 5.347 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -4.277 6.929 5.210 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -3.111 8.874 3.920 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -7.070 9.106 5.476 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -2.986 11.327 3.869 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -6.949 11.557 5.425 1.00 0.00 H new ATOM 0 HZ PHE A 65 -4.906 12.673 4.624 1.00 0.00 H new ATOM 944 N GLY A 66 -5.171 4.467 2.382 1.00 0.00 N ATOM 945 CA GLY A 66 -4.706 3.096 2.300 1.00 0.00 C ATOM 946 C GLY A 66 -4.949 2.482 0.936 1.00 0.00 C ATOM 947 O GLY A 66 -6.091 2.212 0.564 1.00 0.00 O ATOM 0 H GLY A 66 -5.817 4.745 1.643 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -3.640 3.063 2.525 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -5.211 2.498 3.059 1.00 0.00 H new ATOM 951 N LEU A 67 -3.874 2.262 0.186 1.00 0.00 N ATOM 952 CA LEU A 67 -3.976 1.678 -1.146 1.00 0.00 C ATOM 953 C LEU A 67 -3.180 0.380 -1.235 1.00 0.00 C ATOM 954 O LEU A 67 -2.002 0.336 -0.881 1.00 0.00 O ATOM 955 CB LEU A 67 -3.476 2.668 -2.200 1.00 0.00 C ATOM 956 CG LEU A 67 -3.646 2.212 -3.650 1.00 0.00 C ATOM 957 CD1 LEU A 67 -5.108 2.283 -4.063 1.00 0.00 C ATOM 958 CD2 LEU A 67 -2.785 3.058 -4.577 1.00 0.00 C ATOM 0 H LEU A 67 -2.921 2.480 0.479 1.00 0.00 H new ATOM 0 HA LEU A 67 -5.026 1.453 -1.336 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -4.004 3.613 -2.068 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.419 2.865 -2.019 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.319 1.175 -3.728 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.210 1.955 -5.097 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -5.701 1.635 -3.417 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -5.463 3.310 -3.971 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.917 2.721 -5.605 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.083 4.103 -4.497 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.737 2.956 -4.294 1.00 0.00 H new ATOM 970 N PHE A 68 -3.832 -0.676 -1.711 1.00 0.00 N ATOM 971 CA PHE A 68 -3.186 -1.976 -1.848 1.00 0.00 C ATOM 972 C PHE A 68 -2.644 -2.168 -3.261 1.00 0.00 C ATOM 973 O PHE A 68 -3.358 -1.959 -4.242 1.00 0.00 O ATOM 974 CB PHE A 68 -4.170 -3.097 -1.511 1.00 0.00 C ATOM 975 CG PHE A 68 -4.622 -3.091 -0.078 1.00 0.00 C ATOM 976 CD1 PHE A 68 -3.916 -3.792 0.887 1.00 0.00 C ATOM 977 CD2 PHE A 68 -5.750 -2.383 0.303 1.00 0.00 C ATOM 978 CE1 PHE A 68 -4.330 -3.789 2.206 1.00 0.00 C ATOM 979 CE2 PHE A 68 -6.169 -2.376 1.620 1.00 0.00 C ATOM 980 CZ PHE A 68 -5.457 -3.079 2.573 1.00 0.00 C ATOM 0 H PHE A 68 -4.808 -0.657 -2.008 1.00 0.00 H new ATOM 0 HA PHE A 68 -2.351 -2.013 -1.149 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -5.042 -3.010 -2.159 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -3.703 -4.057 -1.732 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -3.033 -4.347 0.605 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -6.309 -1.830 -0.438 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -3.773 -4.341 2.949 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -7.052 -1.822 1.904 1.00 0.00 H new ATOM 0 HZ PHE A 68 -5.781 -3.073 3.603 1.00 0.00 H new ATOM 990 N ALA A 69 -1.380 -2.566 -3.356 1.00 0.00 N ATOM 991 CA ALA A 69 -0.745 -2.786 -4.650 1.00 0.00 C ATOM 992 C ALA A 69 0.284 -3.910 -4.573 1.00 0.00 C ATOM 993 O ALA A 69 0.939 -4.094 -3.546 1.00 0.00 O ATOM 994 CB ALA A 69 -0.092 -1.503 -5.141 1.00 0.00 C ATOM 0 H ALA A 69 -0.776 -2.743 -2.553 1.00 0.00 H new ATOM 0 HA ALA A 69 -1.516 -3.084 -5.360 1.00 0.00 H new ATOM 0 HB1 ALA A 69 0.378 -1.681 -6.108 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -0.849 -0.726 -5.243 1.00 0.00 H new ATOM 0 HB3 ALA A 69 0.663 -1.182 -4.424 1.00 0.00 H new ATOM 1000 N PRO A 70 0.443 -4.682 -5.663 1.00 0.00 N ATOM 1001 CA PRO A 70 1.402 -5.792 -5.711 1.00 0.00 C ATOM 1002 C PRO A 70 2.813 -5.352 -5.339 1.00 0.00 C ATOM 1003 O PRO A 70 3.225 -4.233 -5.646 1.00 0.00 O ATOM 1004 CB PRO A 70 1.351 -6.248 -7.171 1.00 0.00 C ATOM 1005 CG PRO A 70 0.017 -5.808 -7.663 1.00 0.00 C ATOM 1006 CD PRO A 70 -0.294 -4.534 -6.932 1.00 0.00 C ATOM 0 HA PRO A 70 1.151 -6.578 -4.999 1.00 0.00 H new ATOM 0 HB2 PRO A 70 2.155 -5.798 -7.754 1.00 0.00 H new ATOM 0 HB3 PRO A 70 1.465 -7.329 -7.252 1.00 0.00 H new ATOM 0 HG2 PRO A 70 0.033 -5.646 -8.741 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -0.741 -6.566 -7.466 1.00 0.00 H new ATOM 0 HD2 PRO A 70 0.038 -3.659 -7.490 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -1.365 -4.418 -6.764 1.00 0.00 H new ATOM 1014 N ILE A 71 3.549 -6.237 -4.675 1.00 0.00 N ATOM 1015 CA ILE A 71 4.915 -5.937 -4.261 1.00 0.00 C ATOM 1016 C ILE A 71 5.797 -5.617 -5.465 1.00 0.00 C ATOM 1017 O ILE A 71 6.549 -4.642 -5.453 1.00 0.00 O ATOM 1018 CB ILE A 71 5.534 -7.109 -3.472 1.00 0.00 C ATOM 1019 CG1 ILE A 71 6.928 -6.735 -2.961 1.00 0.00 C ATOM 1020 CG2 ILE A 71 5.596 -8.362 -4.334 1.00 0.00 C ATOM 1021 CD1 ILE A 71 7.165 -7.118 -1.517 1.00 0.00 C ATOM 0 H ILE A 71 3.223 -7.167 -4.412 1.00 0.00 H new ATOM 0 HA ILE A 71 4.866 -5.063 -3.612 1.00 0.00 H new ATOM 0 HB ILE A 71 4.898 -7.318 -2.612 1.00 0.00 H new ATOM 0 HG12 ILE A 71 7.678 -7.221 -3.585 1.00 0.00 H new ATOM 0 HG13 ILE A 71 7.070 -5.660 -3.071 1.00 0.00 H new ATOM 0 HG21 ILE A 71 6.036 -9.177 -3.760 1.00 0.00 H new ATOM 0 HG22 ILE A 71 4.589 -8.639 -4.646 1.00 0.00 H new ATOM 0 HG23 ILE A 71 6.208 -8.168 -5.215 1.00 0.00 H new ATOM 0 HD11 ILE A 71 8.172 -6.823 -1.223 1.00 0.00 H new ATOM 0 HD12 ILE A 71 6.438 -6.611 -0.882 1.00 0.00 H new ATOM 0 HD13 ILE A 71 7.055 -8.197 -1.404 1.00 0.00 H new ATOM 1033 N HIS A 72 5.699 -6.441 -6.504 1.00 0.00 N ATOM 1034 CA HIS A 72 6.490 -6.239 -7.713 1.00 0.00 C ATOM 1035 C HIS A 72 6.120 -4.925 -8.400 1.00 0.00 C ATOM 1036 O HIS A 72 6.885 -4.404 -9.210 1.00 0.00 O ATOM 1037 CB HIS A 72 6.296 -7.409 -8.681 1.00 0.00 C ATOM 1038 CG HIS A 72 4.868 -7.820 -8.854 1.00 0.00 C ATOM 1039 ND1 HIS A 72 4.218 -8.708 -8.027 1.00 0.00 N ATOM 1040 CD2 HIS A 72 3.958 -7.448 -9.791 1.00 0.00 C ATOM 1041 CE1 HIS A 72 2.964 -8.847 -8.476 1.00 0.00 C ATOM 1042 NE2 HIS A 72 2.754 -8.103 -9.545 1.00 0.00 N ATOM 0 H HIS A 72 5.082 -7.252 -6.533 1.00 0.00 H new ATOM 0 HA HIS A 72 7.539 -6.190 -7.422 1.00 0.00 H new ATOM 0 HB2 HIS A 72 6.706 -7.136 -9.653 1.00 0.00 H new ATOM 0 HB3 HIS A 72 6.869 -8.264 -8.322 1.00 0.00 H new ATOM 0 HD2 HIS A 72 4.139 -6.754 -10.599 1.00 0.00 H new ATOM 0 HE1 HIS A 72 2.221 -9.486 -8.022 1.00 0.00 H new ATOM 0 HE2 HIS A 72 1.889 -8.024 -10.080 1.00 0.00 H new ATOM 1050 N LYS A 73 4.945 -4.394 -8.070 1.00 0.00 N ATOM 1051 CA LYS A 73 4.484 -3.140 -8.656 1.00 0.00 C ATOM 1052 C LYS A 73 4.786 -1.960 -7.736 1.00 0.00 C ATOM 1053 O LYS A 73 4.123 -0.925 -7.804 1.00 0.00 O ATOM 1054 CB LYS A 73 2.982 -3.209 -8.938 1.00 0.00 C ATOM 1055 CG LYS A 73 2.601 -4.275 -9.950 1.00 0.00 C ATOM 1056 CD LYS A 73 2.447 -3.691 -11.345 1.00 0.00 C ATOM 1057 CE LYS A 73 2.635 -4.753 -12.416 1.00 0.00 C ATOM 1058 NZ LYS A 73 1.336 -5.324 -12.866 1.00 0.00 N ATOM 0 H LYS A 73 4.297 -4.812 -7.402 1.00 0.00 H new ATOM 0 HA LYS A 73 5.019 -2.990 -9.594 1.00 0.00 H new ATOM 0 HB2 LYS A 73 2.454 -3.402 -8.004 1.00 0.00 H new ATOM 0 HB3 LYS A 73 2.644 -2.238 -9.301 1.00 0.00 H new ATOM 0 HG2 LYS A 73 3.363 -5.054 -9.963 1.00 0.00 H new ATOM 0 HG3 LYS A 73 1.667 -4.748 -9.647 1.00 0.00 H new ATOM 0 HD2 LYS A 73 1.459 -3.242 -11.446 1.00 0.00 H new ATOM 0 HD3 LYS A 73 3.176 -2.894 -11.490 1.00 0.00 H new ATOM 0 HE2 LYS A 73 3.156 -4.319 -13.270 1.00 0.00 H new ATOM 0 HE3 LYS A 73 3.268 -5.551 -12.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 1.508 -6.044 -13.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 0.850 -5.760 -12.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 0.742 -4.567 -13.260 1.00 0.00 H new ATOM 1072 N VAL A 74 5.787 -2.122 -6.876 1.00 0.00 N ATOM 1073 CA VAL A 74 6.171 -1.067 -5.946 1.00 0.00 C ATOM 1074 C VAL A 74 7.545 -0.503 -6.290 1.00 0.00 C ATOM 1075 O VAL A 74 8.487 -1.251 -6.550 1.00 0.00 O ATOM 1076 CB VAL A 74 6.188 -1.578 -4.493 1.00 0.00 C ATOM 1077 CG1 VAL A 74 6.401 -0.426 -3.523 1.00 0.00 C ATOM 1078 CG2 VAL A 74 4.902 -2.323 -4.173 1.00 0.00 C ATOM 0 H VAL A 74 6.346 -2.972 -6.804 1.00 0.00 H new ATOM 0 HA VAL A 74 5.424 -0.278 -6.038 1.00 0.00 H new ATOM 0 HB VAL A 74 7.020 -2.273 -4.383 1.00 0.00 H new ATOM 0 HG11 VAL A 74 6.410 -0.807 -2.502 1.00 0.00 H new ATOM 0 HG12 VAL A 74 7.353 0.059 -3.738 1.00 0.00 H new ATOM 0 HG13 VAL A 74 5.593 0.297 -3.633 1.00 0.00 H new ATOM 0 HG21 VAL A 74 4.933 -2.676 -3.142 1.00 0.00 H new ATOM 0 HG22 VAL A 74 4.052 -1.653 -4.302 1.00 0.00 H new ATOM 0 HG23 VAL A 74 4.798 -3.175 -4.845 1.00 0.00 H new ATOM 1088 N ILE A 75 7.651 0.822 -6.288 1.00 0.00 N ATOM 1089 CA ILE A 75 8.910 1.488 -6.600 1.00 0.00 C ATOM 1090 C ILE A 75 9.532 2.101 -5.349 1.00 0.00 C ATOM 1091 O ILE A 75 8.977 3.028 -4.760 1.00 0.00 O ATOM 1092 CB ILE A 75 8.717 2.594 -7.656 1.00 0.00 C ATOM 1093 CG1 ILE A 75 7.910 2.061 -8.842 1.00 0.00 C ATOM 1094 CG2 ILE A 75 10.063 3.126 -8.120 1.00 0.00 C ATOM 1095 CD1 ILE A 75 8.546 0.863 -9.515 1.00 0.00 C ATOM 0 H ILE A 75 6.880 1.455 -6.074 1.00 0.00 H new ATOM 0 HA ILE A 75 9.578 0.726 -7.001 1.00 0.00 H new ATOM 0 HB ILE A 75 8.162 3.415 -7.203 1.00 0.00 H new ATOM 0 HG12 ILE A 75 6.912 1.788 -8.499 1.00 0.00 H new ATOM 0 HG13 ILE A 75 7.788 2.858 -9.576 1.00 0.00 H new ATOM 0 HG21 ILE A 75 9.909 3.906 -8.865 1.00 0.00 H new ATOM 0 HG22 ILE A 75 10.604 3.539 -7.269 1.00 0.00 H new ATOM 0 HG23 ILE A 75 10.643 2.314 -8.559 1.00 0.00 H new ATOM 0 HD11 ILE A 75 7.921 0.538 -10.346 1.00 0.00 H new ATOM 0 HD12 ILE A 75 9.533 1.137 -9.889 1.00 0.00 H new ATOM 0 HD13 ILE A 75 8.643 0.050 -8.795 1.00 0.00 H new ATOM 1107 N ARG A 76 10.684 1.575 -4.949 1.00 0.00 N ATOM 1108 CA ARG A 76 11.380 2.070 -3.768 1.00 0.00 C ATOM 1109 C ARG A 76 11.848 3.508 -3.975 1.00 0.00 C ATOM 1110 O ARG A 76 12.274 3.882 -5.069 1.00 0.00 O ATOM 1111 CB ARG A 76 12.574 1.170 -3.440 1.00 0.00 C ATOM 1112 CG ARG A 76 12.428 0.423 -2.123 1.00 0.00 C ATOM 1113 CD ARG A 76 12.544 -1.081 -2.314 1.00 0.00 C ATOM 1114 NE ARG A 76 13.914 -1.489 -2.618 1.00 0.00 N ATOM 1115 CZ ARG A 76 14.877 -1.587 -1.705 1.00 0.00 C ATOM 1116 NH1 ARG A 76 14.627 -1.306 -0.433 1.00 0.00 N ATOM 1117 NH2 ARG A 76 16.095 -1.967 -2.066 1.00 0.00 N ATOM 0 H ARG A 76 11.155 0.806 -5.425 1.00 0.00 H new ATOM 0 HA ARG A 76 10.683 2.053 -2.930 1.00 0.00 H new ATOM 0 HB2 ARG A 76 12.706 0.448 -4.245 1.00 0.00 H new ATOM 0 HB3 ARG A 76 13.478 1.778 -3.405 1.00 0.00 H new ATOM 0 HG2 ARG A 76 13.194 0.761 -1.426 1.00 0.00 H new ATOM 0 HG3 ARG A 76 11.463 0.660 -1.675 1.00 0.00 H new ATOM 0 HD2 ARG A 76 12.206 -1.589 -1.410 1.00 0.00 H new ATOM 0 HD3 ARG A 76 11.884 -1.396 -3.122 1.00 0.00 H new ATOM 0 HE ARG A 76 14.145 -1.712 -3.586 1.00 0.00 H new ATOM 0 HH11 ARG A 76 13.692 -1.013 -0.150 1.00 0.00 H new ATOM 0 HH12 ARG A 76 15.370 -1.383 0.262 1.00 0.00 H new ATOM 0 HH21 ARG A 76 16.293 -2.184 -3.043 1.00 0.00 H new ATOM 0 HH22 ARG A 76 16.834 -2.042 -1.367 1.00 0.00 H new ATOM 1131 N ILE A 77 11.766 4.309 -2.918 1.00 0.00 N ATOM 1132 CA ILE A 77 12.181 5.705 -2.983 1.00 0.00 C ATOM 1133 C ILE A 77 12.692 6.189 -1.630 1.00 0.00 C ATOM 1134 O ILE A 77 12.551 7.362 -1.285 1.00 0.00 O ATOM 1135 CB ILE A 77 11.023 6.614 -3.437 1.00 0.00 C ATOM 1136 CG1 ILE A 77 9.806 6.415 -2.534 1.00 0.00 C ATOM 1137 CG2 ILE A 77 10.665 6.331 -4.888 1.00 0.00 C ATOM 1138 CD1 ILE A 77 9.058 7.696 -2.235 1.00 0.00 C ATOM 0 H ILE A 77 11.416 4.015 -2.006 1.00 0.00 H new ATOM 0 HA ILE A 77 12.987 5.763 -3.715 1.00 0.00 H new ATOM 0 HB ILE A 77 11.344 7.653 -3.359 1.00 0.00 H new ATOM 0 HG12 ILE A 77 9.125 5.708 -3.007 1.00 0.00 H new ATOM 0 HG13 ILE A 77 10.130 5.966 -1.595 1.00 0.00 H new ATOM 0 HG21 ILE A 77 9.845 6.981 -5.194 1.00 0.00 H new ATOM 0 HG22 ILE A 77 11.533 6.519 -5.520 1.00 0.00 H new ATOM 0 HG23 ILE A 77 10.360 5.290 -4.991 1.00 0.00 H new ATOM 0 HD11 ILE A 77 8.207 7.478 -1.589 1.00 0.00 H new ATOM 0 HD12 ILE A 77 9.724 8.398 -1.733 1.00 0.00 H new ATOM 0 HD13 ILE A 77 8.703 8.136 -3.167 1.00 0.00 H new