USER MOD reduce.3.24.130724 H: found=0, std=0, add=783, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 784 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 28 TYR OH : rot 30:sc= -0.0377 USER MOD Set 1.2: A 48 THR OG1 : rot 180:sc= 0.298 USER MOD Single : A 11 LYS NZ :NH3+ 150:sc= 1.47 (180deg=-0.351) USER MOD Single : A 12 LYS NZ :NH3+ -174:sc= -1.05 (180deg=-1.15) USER MOD Single : A 16 TYR OH : rot 180:sc= -0.526 USER MOD Single : A 18 ASN : amide:sc= -0.293 K(o=-0.29,f=-4.2!) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot -160:sc= -0.538 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 74:sc= -0.71 USER MOD Single : A 50 SER OG : rot -150:sc= -0.965 USER MOD Single : A 52 ASN : amide:sc= -0.365 K(o=-0.36,f=0.82) USER MOD Single : A 54 ASN : amide:sc= -1.92 X(o=-1.9,f=-2.2!) USER MOD Single : A 57 GLN : amide:sc= -0.326 K(o=-0.33,f=-2.4!) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 45:sc= 0.115 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.096 X(o=-0.096,f=-0.57) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 TYR OH : rot 180:sc= -0.189 USER MOD Single : A 85 CYS SG : rot -130:sc= -2.33 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 147:sc= 1.21 (180deg=-0.0174) USER MOD Single : A 96 TYR OH : rot 130:sc= -1.31! USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 ASN : amide:sc= -0.131 X(o=-0.13,f=-0.4) USER MOD Single : A 103 ASN : amide:sc= -0.0717 X(o=-0.072,f=-0.0044) USER MOD Single : A 105 SER OG : rot -56:sc= -0.718 USER MOD ----------------------------------------------------------------- ATOM 112 N ALA A 10 -8.834 4.307 11.704 1.00 0.00 N ATOM 113 CA ALA A 10 -7.582 3.894 11.080 1.00 0.00 C ATOM 114 C ALA A 10 -7.811 3.435 9.643 1.00 0.00 C ATOM 115 O ALA A 10 -8.658 2.580 9.382 1.00 0.00 O ATOM 116 CB ALA A 10 -6.927 2.787 11.891 1.00 0.00 C ATOM 0 HA ALA A 10 -6.915 4.755 11.058 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -5.994 2.489 11.413 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -6.720 3.148 12.898 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -7.597 1.929 11.944 1.00 0.00 H new ATOM 122 N LYS A 11 -7.052 4.009 8.716 1.00 0.00 N ATOM 123 CA LYS A 11 -7.171 3.658 7.306 1.00 0.00 C ATOM 124 C LYS A 11 -6.258 2.486 6.957 1.00 0.00 C ATOM 125 O LYS A 11 -5.036 2.582 7.075 1.00 0.00 O ATOM 126 CB LYS A 11 -6.832 4.866 6.428 1.00 0.00 C ATOM 127 CG LYS A 11 -7.844 5.118 5.322 1.00 0.00 C ATOM 128 CD LYS A 11 -8.074 6.605 5.105 1.00 0.00 C ATOM 129 CE LYS A 11 -7.046 7.195 4.154 1.00 0.00 C ATOM 130 NZ LYS A 11 -7.451 8.542 3.665 1.00 0.00 N ATOM 0 H LYS A 11 -6.348 4.719 8.916 1.00 0.00 H new ATOM 0 HA LYS A 11 -8.202 3.359 7.117 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -6.765 5.754 7.057 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -5.849 4.716 5.982 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -7.492 4.664 4.395 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -8.788 4.636 5.575 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -9.075 6.765 4.705 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -8.027 7.125 6.062 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -6.083 7.267 4.659 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -6.911 6.526 3.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -6.602 9.110 3.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -8.009 8.442 2.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -8.025 9.017 4.391 1.00 0.00 H new ATOM 144 N LYS A 12 -6.859 1.382 6.528 1.00 0.00 N ATOM 145 CA LYS A 12 -6.100 0.191 6.164 1.00 0.00 C ATOM 146 C LYS A 12 -5.635 0.265 4.712 1.00 0.00 C ATOM 147 O LYS A 12 -6.380 -0.077 3.794 1.00 0.00 O ATOM 148 CB LYS A 12 -6.947 -1.065 6.376 1.00 0.00 C ATOM 149 CG LYS A 12 -7.019 -1.511 7.828 1.00 0.00 C ATOM 150 CD LYS A 12 -5.923 -2.512 8.158 1.00 0.00 C ATOM 151 CE LYS A 12 -5.470 -2.387 9.604 1.00 0.00 C ATOM 152 NZ LYS A 12 -4.184 -1.646 9.721 1.00 0.00 N ATOM 0 H LYS A 12 -7.869 1.287 6.424 1.00 0.00 H new ATOM 0 HA LYS A 12 -5.221 0.141 6.807 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -7.957 -0.878 6.011 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -6.536 -1.876 5.775 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -6.929 -0.643 8.481 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -7.993 -1.959 8.024 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -6.286 -3.524 7.976 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -5.073 -2.354 7.494 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -6.239 -1.874 10.182 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -5.357 -3.381 10.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -3.858 -1.670 10.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -3.470 -2.091 9.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -4.324 -0.658 9.427 1.00 0.00 H new ATOM 166 N VAL A 13 -4.399 0.713 4.514 1.00 0.00 N ATOM 167 CA VAL A 13 -3.835 0.831 3.175 1.00 0.00 C ATOM 168 C VAL A 13 -2.721 -0.188 2.957 1.00 0.00 C ATOM 169 O VAL A 13 -1.853 -0.365 3.812 1.00 0.00 O ATOM 170 CB VAL A 13 -3.279 2.245 2.922 1.00 0.00 C ATOM 171 CG1 VAL A 13 -4.403 3.267 2.907 1.00 0.00 C ATOM 172 CG2 VAL A 13 -2.235 2.603 3.970 1.00 0.00 C ATOM 0 H VAL A 13 -3.770 1.000 5.264 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.645 0.637 2.472 1.00 0.00 H new ATOM 0 HB VAL A 13 -2.798 2.257 1.944 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -3.990 4.260 2.727 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -5.110 3.019 2.115 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -4.917 3.257 3.868 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -1.853 3.605 3.776 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -2.689 2.573 4.961 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -1.414 1.887 3.925 1.00 0.00 H new ATOM 182 N ARG A 14 -2.754 -0.855 1.808 1.00 0.00 N ATOM 183 CA ARG A 14 -1.745 -1.858 1.479 1.00 0.00 C ATOM 184 C ARG A 14 -0.694 -1.283 0.534 1.00 0.00 C ATOM 185 O ARG A 14 -0.872 -0.200 -0.024 1.00 0.00 O ATOM 186 CB ARG A 14 -2.405 -3.082 0.843 1.00 0.00 C ATOM 187 CG ARG A 14 -1.581 -4.354 0.973 1.00 0.00 C ATOM 188 CD ARG A 14 -2.464 -5.570 1.199 1.00 0.00 C ATOM 189 NE ARG A 14 -1.680 -6.776 1.451 1.00 0.00 N ATOM 190 CZ ARG A 14 -2.211 -7.990 1.587 1.00 0.00 C ATOM 191 NH1 ARG A 14 -3.524 -8.163 1.497 1.00 0.00 N ATOM 192 NH2 ARG A 14 -1.425 -9.034 1.815 1.00 0.00 N ATOM 0 H ARG A 14 -3.466 -0.720 1.090 1.00 0.00 H new ATOM 0 HA ARG A 14 -1.250 -2.158 2.403 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -3.379 -3.241 1.306 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -2.583 -2.881 -0.213 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -0.987 -4.497 0.071 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -0.881 -4.252 1.803 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -3.126 -5.385 2.045 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -3.098 -5.725 0.326 1.00 0.00 H new ATOM 0 HE ARG A 14 -0.667 -6.683 1.527 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -4.133 -7.364 1.323 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -3.924 -9.095 1.602 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -0.415 -8.906 1.886 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -1.830 -9.964 1.919 1.00 0.00 H new ATOM 206 N PHE A 15 0.399 -2.018 0.360 1.00 0.00 N ATOM 207 CA PHE A 15 1.480 -1.583 -0.518 1.00 0.00 C ATOM 208 C PHE A 15 2.244 -2.781 -1.072 1.00 0.00 C ATOM 209 O PHE A 15 2.770 -3.598 -0.316 1.00 0.00 O ATOM 210 CB PHE A 15 2.437 -0.657 0.236 1.00 0.00 C ATOM 211 CG PHE A 15 1.786 0.600 0.736 1.00 0.00 C ATOM 212 CD1 PHE A 15 1.458 1.622 -0.139 1.00 0.00 C ATOM 213 CD2 PHE A 15 1.502 0.759 2.083 1.00 0.00 C ATOM 214 CE1 PHE A 15 0.859 2.781 0.319 1.00 0.00 C ATOM 215 CE2 PHE A 15 0.902 1.915 2.548 1.00 0.00 C ATOM 216 CZ PHE A 15 0.580 2.927 1.664 1.00 0.00 C ATOM 0 H PHE A 15 0.560 -2.917 0.815 1.00 0.00 H new ATOM 0 HA PHE A 15 1.040 -1.037 -1.352 1.00 0.00 H new ATOM 0 HB2 PHE A 15 2.862 -1.198 1.082 1.00 0.00 H new ATOM 0 HB3 PHE A 15 3.265 -0.391 -0.421 1.00 0.00 H new ATOM 0 HD1 PHE A 15 1.673 1.512 -1.192 1.00 0.00 H new ATOM 0 HD2 PHE A 15 1.752 -0.029 2.778 1.00 0.00 H new ATOM 0 HE1 PHE A 15 0.610 3.571 -0.374 1.00 0.00 H new ATOM 0 HE2 PHE A 15 0.686 2.027 3.600 1.00 0.00 H new ATOM 0 HZ PHE A 15 0.111 3.831 2.024 1.00 0.00 H new ATOM 226 N TYR A 16 2.303 -2.879 -2.397 1.00 0.00 N ATOM 227 CA TYR A 16 3.003 -3.977 -3.052 1.00 0.00 C ATOM 228 C TYR A 16 4.270 -3.482 -3.740 1.00 0.00 C ATOM 229 O TYR A 16 4.515 -2.279 -3.819 1.00 0.00 O ATOM 230 CB TYR A 16 2.087 -4.657 -4.071 1.00 0.00 C ATOM 231 CG TYR A 16 0.767 -5.112 -3.492 1.00 0.00 C ATOM 232 CD1 TYR A 16 0.715 -6.126 -2.544 1.00 0.00 C ATOM 233 CD2 TYR A 16 -0.428 -4.527 -3.892 1.00 0.00 C ATOM 234 CE1 TYR A 16 -0.490 -6.546 -2.013 1.00 0.00 C ATOM 235 CE2 TYR A 16 -1.637 -4.939 -3.365 1.00 0.00 C ATOM 236 CZ TYR A 16 -1.662 -5.949 -2.426 1.00 0.00 C ATOM 237 OH TYR A 16 -2.864 -6.363 -1.898 1.00 0.00 O ATOM 0 H TYR A 16 1.874 -2.211 -3.037 1.00 0.00 H new ATOM 0 HA TYR A 16 3.286 -4.701 -2.288 1.00 0.00 H new ATOM 0 HB2 TYR A 16 1.895 -3.966 -4.892 1.00 0.00 H new ATOM 0 HB3 TYR A 16 2.604 -5.518 -4.494 1.00 0.00 H new ATOM 0 HD1 TYR A 16 1.632 -6.594 -2.216 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -0.412 -3.736 -4.628 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -0.513 -7.338 -1.279 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -2.557 -4.473 -3.686 1.00 0.00 H new ATOM 0 HH TYR A 16 -3.592 -5.840 -2.294 1.00 0.00 H new ATOM 247 N ARG A 17 5.073 -4.418 -4.236 1.00 0.00 N ATOM 248 CA ARG A 17 6.316 -4.077 -4.918 1.00 0.00 C ATOM 249 C ARG A 17 6.110 -4.022 -6.428 1.00 0.00 C ATOM 250 O ARG A 17 5.462 -4.893 -7.009 1.00 0.00 O ATOM 251 CB ARG A 17 7.406 -5.094 -4.574 1.00 0.00 C ATOM 252 CG ARG A 17 8.760 -4.461 -4.288 1.00 0.00 C ATOM 253 CD ARG A 17 9.261 -4.815 -2.898 1.00 0.00 C ATOM 254 NE ARG A 17 10.163 -5.964 -2.916 1.00 0.00 N ATOM 255 CZ ARG A 17 10.457 -6.693 -1.841 1.00 0.00 C ATOM 256 NH1 ARG A 17 9.925 -6.397 -0.663 1.00 0.00 N ATOM 257 NH2 ARG A 17 11.287 -7.721 -1.947 1.00 0.00 N ATOM 0 H ARG A 17 4.885 -5.419 -4.178 1.00 0.00 H new ATOM 0 HA ARG A 17 6.631 -3.090 -4.578 1.00 0.00 H new ATOM 0 HB2 ARG A 17 7.092 -5.670 -3.704 1.00 0.00 H new ATOM 0 HB3 ARG A 17 7.510 -5.797 -5.401 1.00 0.00 H new ATOM 0 HG2 ARG A 17 9.483 -4.795 -5.032 1.00 0.00 H new ATOM 0 HG3 ARG A 17 8.683 -3.378 -4.383 1.00 0.00 H new ATOM 0 HD2 ARG A 17 9.777 -3.956 -2.469 1.00 0.00 H new ATOM 0 HD3 ARG A 17 8.411 -5.032 -2.251 1.00 0.00 H new ATOM 0 HE ARG A 17 10.593 -6.223 -3.804 1.00 0.00 H new ATOM 0 HH11 ARG A 17 9.286 -5.607 -0.576 1.00 0.00 H new ATOM 0 HH12 ARG A 17 10.155 -6.960 0.156 1.00 0.00 H new ATOM 0 HH21 ARG A 17 11.699 -7.952 -2.851 1.00 0.00 H new ATOM 0 HH22 ARG A 17 11.513 -8.281 -1.125 1.00 0.00 H new ATOM 271 N ASN A 18 6.666 -2.993 -7.060 1.00 0.00 N ATOM 272 CA ASN A 18 6.543 -2.826 -8.503 1.00 0.00 C ATOM 273 C ASN A 18 7.413 -3.834 -9.245 1.00 0.00 C ATOM 274 O ASN A 18 8.615 -3.627 -9.414 1.00 0.00 O ATOM 275 CB ASN A 18 6.933 -1.403 -8.907 1.00 0.00 C ATOM 276 CG ASN A 18 6.059 -0.858 -10.019 1.00 0.00 C ATOM 277 OD1 ASN A 18 5.059 -1.470 -10.396 1.00 0.00 O ATOM 278 ND2 ASN A 18 6.434 0.299 -10.554 1.00 0.00 N ATOM 0 H ASN A 18 7.206 -2.263 -6.595 1.00 0.00 H new ATOM 0 HA ASN A 18 5.503 -3.002 -8.776 1.00 0.00 H new ATOM 0 HB2 ASN A 18 6.861 -0.749 -8.038 1.00 0.00 H new ATOM 0 HB3 ASN A 18 7.974 -1.392 -9.229 1.00 0.00 H new ATOM 0 HD21 ASN A 18 5.886 0.714 -11.308 1.00 0.00 H new ATOM 0 HD22 ASN A 18 7.270 0.772 -10.211 1.00 0.00 H new ATOM 285 N GLY A 19 6.798 -4.927 -9.689 1.00 0.00 N ATOM 286 CA GLY A 19 7.532 -5.951 -10.409 1.00 0.00 C ATOM 287 C GLY A 19 7.565 -7.273 -9.667 1.00 0.00 C ATOM 288 O GLY A 19 7.624 -8.336 -10.282 1.00 0.00 O ATOM 0 H GLY A 19 5.805 -5.121 -9.563 1.00 0.00 H new ATOM 0 HA2 GLY A 19 7.077 -6.099 -11.388 1.00 0.00 H new ATOM 0 HA3 GLY A 19 8.553 -5.609 -10.581 1.00 0.00 H new ATOM 292 N ASP A 20 7.527 -7.206 -8.340 1.00 0.00 N ATOM 293 CA ASP A 20 7.555 -8.406 -7.513 1.00 0.00 C ATOM 294 C ASP A 20 6.141 -8.913 -7.244 1.00 0.00 C ATOM 295 O ASP A 20 5.453 -8.420 -6.351 1.00 0.00 O ATOM 296 CB ASP A 20 8.267 -8.124 -6.189 1.00 0.00 C ATOM 297 CG ASP A 20 8.949 -9.354 -5.625 1.00 0.00 C ATOM 298 OD1 ASP A 20 9.777 -9.955 -6.341 1.00 0.00 O ATOM 299 OD2 ASP A 20 8.653 -9.718 -4.467 1.00 0.00 O ATOM 0 H ASP A 20 7.477 -6.333 -7.815 1.00 0.00 H new ATOM 0 HA ASP A 20 8.103 -9.177 -8.055 1.00 0.00 H new ATOM 0 HB2 ASP A 20 9.007 -7.338 -6.338 1.00 0.00 H new ATOM 0 HB3 ASP A 20 7.545 -7.748 -5.464 1.00 0.00 H new ATOM 304 N ARG A 21 5.715 -9.903 -8.023 1.00 0.00 N ATOM 305 CA ARG A 21 4.384 -10.478 -7.868 1.00 0.00 C ATOM 306 C ARG A 21 4.357 -11.490 -6.727 1.00 0.00 C ATOM 307 O ARG A 21 3.328 -11.679 -6.077 1.00 0.00 O ATOM 308 CB ARG A 21 3.940 -11.148 -9.171 1.00 0.00 C ATOM 309 CG ARG A 21 4.814 -12.322 -9.581 1.00 0.00 C ATOM 310 CD ARG A 21 4.062 -13.290 -10.481 1.00 0.00 C ATOM 311 NE ARG A 21 4.942 -13.928 -11.455 1.00 0.00 N ATOM 312 CZ ARG A 21 5.420 -13.316 -12.537 1.00 0.00 C ATOM 313 NH1 ARG A 21 5.104 -12.050 -12.786 1.00 0.00 N ATOM 314 NH2 ARG A 21 6.215 -13.970 -13.372 1.00 0.00 N ATOM 0 H ARG A 21 6.272 -10.323 -8.767 1.00 0.00 H new ATOM 0 HA ARG A 21 3.692 -9.670 -7.629 1.00 0.00 H new ATOM 0 HB2 ARG A 21 2.912 -11.493 -9.060 1.00 0.00 H new ATOM 0 HB3 ARG A 21 3.943 -10.407 -9.970 1.00 0.00 H new ATOM 0 HG2 ARG A 21 5.699 -11.954 -10.100 1.00 0.00 H new ATOM 0 HG3 ARG A 21 5.161 -12.846 -8.691 1.00 0.00 H new ATOM 0 HD2 ARG A 21 3.583 -14.055 -9.870 1.00 0.00 H new ATOM 0 HD3 ARG A 21 3.269 -12.756 -11.004 1.00 0.00 H new ATOM 0 HE ARG A 21 5.207 -14.900 -11.298 1.00 0.00 H new ATOM 0 HH11 ARG A 21 4.493 -11.542 -12.147 1.00 0.00 H new ATOM 0 HH12 ARG A 21 5.473 -11.586 -13.616 1.00 0.00 H new ATOM 0 HH21 ARG A 21 6.461 -14.942 -13.186 1.00 0.00 H new ATOM 0 HH22 ARG A 21 6.581 -13.501 -14.201 1.00 0.00 H new ATOM 328 N TYR A 22 5.493 -12.137 -6.488 1.00 0.00 N ATOM 329 CA TYR A 22 5.598 -13.130 -5.425 1.00 0.00 C ATOM 330 C TYR A 22 5.290 -12.507 -4.067 1.00 0.00 C ATOM 331 O TYR A 22 4.786 -13.177 -3.166 1.00 0.00 O ATOM 332 CB TYR A 22 6.998 -13.746 -5.411 1.00 0.00 C ATOM 333 CG TYR A 22 7.199 -14.816 -6.460 1.00 0.00 C ATOM 334 CD1 TYR A 22 7.155 -14.504 -7.814 1.00 0.00 C ATOM 335 CD2 TYR A 22 7.434 -16.136 -6.098 1.00 0.00 C ATOM 336 CE1 TYR A 22 7.339 -15.479 -8.776 1.00 0.00 C ATOM 337 CE2 TYR A 22 7.619 -17.116 -7.055 1.00 0.00 C ATOM 338 CZ TYR A 22 7.570 -16.783 -8.392 1.00 0.00 C ATOM 339 OH TYR A 22 7.754 -17.756 -9.347 1.00 0.00 O ATOM 0 H TYR A 22 6.354 -11.992 -7.016 1.00 0.00 H new ATOM 0 HA TYR A 22 4.866 -13.914 -5.620 1.00 0.00 H new ATOM 0 HB2 TYR A 22 7.735 -12.957 -5.563 1.00 0.00 H new ATOM 0 HB3 TYR A 22 7.188 -14.174 -4.427 1.00 0.00 H new ATOM 0 HD1 TYR A 22 6.974 -13.484 -8.119 1.00 0.00 H new ATOM 0 HD2 TYR A 22 7.473 -16.401 -5.052 1.00 0.00 H new ATOM 0 HE1 TYR A 22 7.302 -15.221 -9.824 1.00 0.00 H new ATOM 0 HE2 TYR A 22 7.801 -18.138 -6.757 1.00 0.00 H new ATOM 0 HH TYR A 22 7.906 -18.619 -8.909 1.00 0.00 H new ATOM 349 N PHE A 23 5.597 -11.221 -3.927 1.00 0.00 N ATOM 350 CA PHE A 23 5.353 -10.508 -2.679 1.00 0.00 C ATOM 351 C PHE A 23 3.873 -10.545 -2.310 1.00 0.00 C ATOM 352 O PHE A 23 3.010 -10.245 -3.135 1.00 0.00 O ATOM 353 CB PHE A 23 5.825 -9.058 -2.795 1.00 0.00 C ATOM 354 CG PHE A 23 5.973 -8.366 -1.469 1.00 0.00 C ATOM 355 CD1 PHE A 23 4.903 -7.694 -0.901 1.00 0.00 C ATOM 356 CD2 PHE A 23 7.181 -8.388 -0.792 1.00 0.00 C ATOM 357 CE1 PHE A 23 5.036 -7.056 0.317 1.00 0.00 C ATOM 358 CE2 PHE A 23 7.321 -7.753 0.427 1.00 0.00 C ATOM 359 CZ PHE A 23 6.246 -7.086 0.983 1.00 0.00 C ATOM 0 H PHE A 23 6.015 -10.652 -4.663 1.00 0.00 H new ATOM 0 HA PHE A 23 5.918 -11.005 -1.890 1.00 0.00 H new ATOM 0 HB2 PHE A 23 6.783 -9.037 -3.315 1.00 0.00 H new ATOM 0 HB3 PHE A 23 5.116 -8.502 -3.409 1.00 0.00 H new ATOM 0 HD1 PHE A 23 3.954 -7.669 -1.416 1.00 0.00 H new ATOM 0 HD2 PHE A 23 8.024 -8.908 -1.222 1.00 0.00 H new ATOM 0 HE1 PHE A 23 4.195 -6.534 0.748 1.00 0.00 H new ATOM 0 HE2 PHE A 23 8.269 -7.778 0.944 1.00 0.00 H new ATOM 0 HZ PHE A 23 6.352 -6.589 1.936 1.00 0.00 H new ATOM 369 N LYS A 24 3.587 -10.916 -1.066 1.00 0.00 N ATOM 370 CA LYS A 24 2.211 -10.992 -0.589 1.00 0.00 C ATOM 371 C LYS A 24 1.610 -9.599 -0.434 1.00 0.00 C ATOM 372 O LYS A 24 0.581 -9.287 -1.033 1.00 0.00 O ATOM 373 CB LYS A 24 2.153 -11.738 0.745 1.00 0.00 C ATOM 374 CG LYS A 24 2.751 -13.135 0.688 1.00 0.00 C ATOM 375 CD LYS A 24 1.933 -14.126 1.501 1.00 0.00 C ATOM 376 CE LYS A 24 2.438 -15.548 1.317 1.00 0.00 C ATOM 377 NZ LYS A 24 1.320 -16.522 1.179 1.00 0.00 N ATOM 0 H LYS A 24 4.289 -11.168 -0.371 1.00 0.00 H new ATOM 0 HA LYS A 24 1.626 -11.538 -1.329 1.00 0.00 H new ATOM 0 HB2 LYS A 24 2.681 -11.156 1.500 1.00 0.00 H new ATOM 0 HB3 LYS A 24 1.114 -11.809 1.067 1.00 0.00 H new ATOM 0 HG2 LYS A 24 2.802 -13.468 -0.349 1.00 0.00 H new ATOM 0 HG3 LYS A 24 3.773 -13.110 1.065 1.00 0.00 H new ATOM 0 HD2 LYS A 24 1.977 -13.857 2.556 1.00 0.00 H new ATOM 0 HD3 LYS A 24 0.887 -14.069 1.201 1.00 0.00 H new ATOM 0 HE2 LYS A 24 3.072 -15.596 0.432 1.00 0.00 H new ATOM 0 HE3 LYS A 24 3.058 -15.826 2.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 1.707 -17.479 1.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 0.729 -16.495 2.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 0.742 -16.273 0.351 1.00 0.00 H new ATOM 391 N GLY A 25 2.259 -8.766 0.373 1.00 0.00 N ATOM 392 CA GLY A 25 1.773 -7.417 0.592 1.00 0.00 C ATOM 393 C GLY A 25 1.871 -6.992 2.043 1.00 0.00 C ATOM 394 O GLY A 25 1.808 -7.825 2.947 1.00 0.00 O ATOM 0 H GLY A 25 3.113 -9.001 0.879 1.00 0.00 H new ATOM 0 HA2 GLY A 25 2.345 -6.724 -0.025 1.00 0.00 H new ATOM 0 HA3 GLY A 25 0.735 -7.351 0.267 1.00 0.00 H new ATOM 398 N ILE A 26 2.025 -5.691 2.268 1.00 0.00 N ATOM 399 CA ILE A 26 2.132 -5.155 3.619 1.00 0.00 C ATOM 400 C ILE A 26 0.970 -4.215 3.931 1.00 0.00 C ATOM 401 O ILE A 26 0.691 -3.286 3.174 1.00 0.00 O ATOM 402 CB ILE A 26 3.462 -4.402 3.822 1.00 0.00 C ATOM 403 CG1 ILE A 26 3.602 -3.940 5.274 1.00 0.00 C ATOM 404 CG2 ILE A 26 3.553 -3.216 2.872 1.00 0.00 C ATOM 405 CD1 ILE A 26 5.025 -3.614 5.671 1.00 0.00 C ATOM 0 H ILE A 26 2.078 -4.988 1.531 1.00 0.00 H new ATOM 0 HA ILE A 26 2.100 -6.005 4.301 1.00 0.00 H new ATOM 0 HB ILE A 26 4.282 -5.085 3.599 1.00 0.00 H new ATOM 0 HG12 ILE A 26 2.980 -3.058 5.428 1.00 0.00 H new ATOM 0 HG13 ILE A 26 3.219 -4.719 5.933 1.00 0.00 H new ATOM 0 HG21 ILE A 26 4.498 -2.696 3.029 1.00 0.00 H new ATOM 0 HG22 ILE A 26 3.500 -3.570 1.842 1.00 0.00 H new ATOM 0 HG23 ILE A 26 2.726 -2.532 3.064 1.00 0.00 H new ATOM 0 HD11 ILE A 26 5.048 -3.294 6.713 1.00 0.00 H new ATOM 0 HD12 ILE A 26 5.649 -4.500 5.550 1.00 0.00 H new ATOM 0 HD13 ILE A 26 5.405 -2.813 5.037 1.00 0.00 H new ATOM 417 N VAL A 27 0.297 -4.465 5.048 1.00 0.00 N ATOM 418 CA VAL A 27 -0.834 -3.642 5.460 1.00 0.00 C ATOM 419 C VAL A 27 -0.380 -2.495 6.357 1.00 0.00 C ATOM 420 O VAL A 27 0.541 -2.647 7.159 1.00 0.00 O ATOM 421 CB VAL A 27 -1.894 -4.473 6.207 1.00 0.00 C ATOM 422 CG1 VAL A 27 -3.148 -3.647 6.450 1.00 0.00 C ATOM 423 CG2 VAL A 27 -2.223 -5.738 5.430 1.00 0.00 C ATOM 0 H VAL A 27 0.515 -5.231 5.685 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.277 -3.237 4.550 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.486 -4.763 7.175 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -3.885 -4.251 6.979 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.897 -2.773 7.051 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -3.562 -3.324 5.495 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.974 -6.313 5.972 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.611 -5.471 4.447 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.321 -6.338 5.313 1.00 0.00 H new ATOM 433 N TYR A 28 -1.035 -1.346 6.216 1.00 0.00 N ATOM 434 CA TYR A 28 -0.699 -0.172 7.014 1.00 0.00 C ATOM 435 C TYR A 28 -1.939 0.385 7.709 1.00 0.00 C ATOM 436 O TYR A 28 -3.065 0.016 7.379 1.00 0.00 O ATOM 437 CB TYR A 28 -0.064 0.905 6.133 1.00 0.00 C ATOM 438 CG TYR A 28 1.445 0.946 6.218 1.00 0.00 C ATOM 439 CD1 TYR A 28 2.215 -0.118 5.763 1.00 0.00 C ATOM 440 CD2 TYR A 28 2.100 2.047 6.755 1.00 0.00 C ATOM 441 CE1 TYR A 28 3.594 -0.084 5.841 1.00 0.00 C ATOM 442 CE2 TYR A 28 3.478 2.088 6.835 1.00 0.00 C ATOM 443 CZ TYR A 28 4.221 1.020 6.377 1.00 0.00 C ATOM 444 OH TYR A 28 5.594 1.058 6.456 1.00 0.00 O ATOM 0 H TYR A 28 -1.801 -1.203 5.557 1.00 0.00 H new ATOM 0 HA TYR A 28 0.018 -0.474 7.777 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -0.356 0.734 5.097 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -0.462 1.878 6.420 1.00 0.00 H new ATOM 0 HD1 TYR A 28 1.728 -0.985 5.342 1.00 0.00 H new ATOM 0 HD2 TYR A 28 1.522 2.885 7.116 1.00 0.00 H new ATOM 0 HE1 TYR A 28 4.178 -0.919 5.483 1.00 0.00 H new ATOM 0 HE2 TYR A 28 3.972 2.952 7.254 1.00 0.00 H new ATOM 0 HH TYR A 28 5.978 0.532 5.724 1.00 0.00 H new ATOM 454 N ALA A 29 -1.721 1.274 8.672 1.00 0.00 N ATOM 455 CA ALA A 29 -2.819 1.883 9.412 1.00 0.00 C ATOM 456 C ALA A 29 -2.657 3.397 9.491 1.00 0.00 C ATOM 457 O ALA A 29 -2.017 3.916 10.405 1.00 0.00 O ATOM 458 CB ALA A 29 -2.906 1.286 10.810 1.00 0.00 C ATOM 0 H ALA A 29 -0.794 1.589 8.958 1.00 0.00 H new ATOM 0 HA ALA A 29 -3.746 1.672 8.878 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -3.730 1.749 11.353 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -3.078 0.212 10.737 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -1.973 1.469 11.342 1.00 0.00 H new ATOM 464 N ILE A 30 -3.241 4.100 8.526 1.00 0.00 N ATOM 465 CA ILE A 30 -3.161 5.555 8.486 1.00 0.00 C ATOM 466 C ILE A 30 -4.047 6.183 9.557 1.00 0.00 C ATOM 467 O ILE A 30 -5.211 6.495 9.308 1.00 0.00 O ATOM 468 CB ILE A 30 -3.574 6.104 7.107 1.00 0.00 C ATOM 469 CG1 ILE A 30 -2.845 5.350 5.994 1.00 0.00 C ATOM 470 CG2 ILE A 30 -3.285 7.595 7.022 1.00 0.00 C ATOM 471 CD1 ILE A 30 -1.337 5.445 6.086 1.00 0.00 C ATOM 0 H ILE A 30 -3.774 3.686 7.762 1.00 0.00 H new ATOM 0 HA ILE A 30 -2.121 5.820 8.676 1.00 0.00 H new ATOM 0 HB ILE A 30 -4.646 5.954 6.979 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -3.137 4.300 6.026 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -3.167 5.742 5.029 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -3.582 7.968 6.042 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -3.847 8.119 7.795 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -2.219 7.768 7.168 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -0.887 4.887 5.265 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -1.034 6.490 6.024 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.003 5.026 7.035 1.00 0.00 H new ATOM 483 N SER A 31 -3.488 6.365 10.749 1.00 0.00 N ATOM 484 CA SER A 31 -4.228 6.956 11.858 1.00 0.00 C ATOM 485 C SER A 31 -3.541 8.226 12.355 1.00 0.00 C ATOM 486 O SER A 31 -2.387 8.490 12.017 1.00 0.00 O ATOM 487 CB SER A 31 -4.358 5.949 13.003 1.00 0.00 C ATOM 488 OG SER A 31 -5.622 5.310 12.979 1.00 0.00 O ATOM 0 H SER A 31 -2.525 6.112 10.972 1.00 0.00 H new ATOM 0 HA SER A 31 -5.223 7.220 11.501 1.00 0.00 H new ATOM 0 HB2 SER A 31 -3.568 5.202 12.926 1.00 0.00 H new ATOM 0 HB3 SER A 31 -4.223 6.459 13.957 1.00 0.00 H new ATOM 0 HG SER A 31 -5.811 4.926 13.861 1.00 0.00 H new ATOM 494 N PRO A 32 -4.245 9.032 13.169 1.00 0.00 N ATOM 495 CA PRO A 32 -3.698 10.279 13.712 1.00 0.00 C ATOM 496 C PRO A 32 -2.554 10.030 14.690 1.00 0.00 C ATOM 497 O PRO A 32 -1.665 10.866 14.847 1.00 0.00 O ATOM 498 CB PRO A 32 -4.890 10.913 14.434 1.00 0.00 C ATOM 499 CG PRO A 32 -5.797 9.774 14.746 1.00 0.00 C ATOM 500 CD PRO A 32 -5.627 8.791 13.621 1.00 0.00 C ATOM 0 HA PRO A 32 -3.275 10.910 12.931 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -4.574 11.427 15.342 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -5.386 11.652 13.805 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -5.539 9.320 15.703 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -6.832 10.108 14.820 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -5.767 7.764 13.959 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -6.348 8.965 12.822 1.00 0.00 H new ATOM 508 N ASP A 33 -2.583 8.873 15.344 1.00 0.00 N ATOM 509 CA ASP A 33 -1.548 8.514 16.307 1.00 0.00 C ATOM 510 C ASP A 33 -0.536 7.557 15.683 1.00 0.00 C ATOM 511 O ASP A 33 0.040 6.713 16.369 1.00 0.00 O ATOM 512 CB ASP A 33 -2.177 7.876 17.549 1.00 0.00 C ATOM 513 CG ASP A 33 -1.913 8.681 18.808 1.00 0.00 C ATOM 514 OD1 ASP A 33 -0.732 8.811 19.192 1.00 0.00 O ATOM 515 OD2 ASP A 33 -2.887 9.180 19.409 1.00 0.00 O ATOM 0 H ASP A 33 -3.311 8.169 15.225 1.00 0.00 H new ATOM 0 HA ASP A 33 -1.026 9.424 16.602 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -3.253 7.781 17.400 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -1.782 6.868 17.676 1.00 0.00 H new ATOM 520 N ARG A 34 -0.325 7.696 14.378 1.00 0.00 N ATOM 521 CA ARG A 34 0.617 6.845 13.660 1.00 0.00 C ATOM 522 C ARG A 34 1.384 7.647 12.612 1.00 0.00 C ATOM 523 O ARG A 34 2.614 7.628 12.580 1.00 0.00 O ATOM 524 CB ARG A 34 -0.120 5.680 12.996 1.00 0.00 C ATOM 525 CG ARG A 34 0.274 4.319 13.544 1.00 0.00 C ATOM 526 CD ARG A 34 0.211 3.246 12.469 1.00 0.00 C ATOM 527 NE ARG A 34 0.880 2.014 12.884 1.00 0.00 N ATOM 528 CZ ARG A 34 0.335 1.112 13.696 1.00 0.00 C ATOM 529 NH1 ARG A 34 -0.886 1.299 14.185 1.00 0.00 N ATOM 530 NH2 ARG A 34 1.012 0.020 14.024 1.00 0.00 N ATOM 0 H ARG A 34 -0.794 8.390 13.796 1.00 0.00 H new ATOM 0 HA ARG A 34 1.333 6.447 14.379 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -1.193 5.818 13.127 1.00 0.00 H new ATOM 0 HB3 ARG A 34 0.076 5.701 11.924 1.00 0.00 H new ATOM 0 HG2 ARG A 34 1.284 4.368 13.952 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -0.389 4.051 14.366 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -0.831 3.031 12.233 1.00 0.00 H new ATOM 0 HD3 ARG A 34 0.674 3.620 11.556 1.00 0.00 H new ATOM 0 HE ARG A 34 1.820 1.836 12.530 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -1.411 2.138 13.938 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -1.298 0.604 14.807 1.00 0.00 H new ATOM 0 HH21 ARG A 34 1.951 -0.129 13.654 1.00 0.00 H new ATOM 0 HH22 ARG A 34 0.594 -0.671 14.647 1.00 0.00 H new ATOM 544 N PHE A 35 0.647 8.350 11.758 1.00 0.00 N ATOM 545 CA PHE A 35 1.256 9.158 10.709 1.00 0.00 C ATOM 546 C PHE A 35 0.719 10.586 10.743 1.00 0.00 C ATOM 547 O PHE A 35 -0.492 10.804 10.725 1.00 0.00 O ATOM 548 CB PHE A 35 0.992 8.535 9.337 1.00 0.00 C ATOM 549 CG PHE A 35 1.487 7.121 9.214 1.00 0.00 C ATOM 550 CD1 PHE A 35 2.809 6.864 8.885 1.00 0.00 C ATOM 551 CD2 PHE A 35 0.633 6.053 9.427 1.00 0.00 C ATOM 552 CE1 PHE A 35 3.267 5.565 8.770 1.00 0.00 C ATOM 553 CE2 PHE A 35 1.086 4.752 9.314 1.00 0.00 C ATOM 554 CZ PHE A 35 2.405 4.508 8.985 1.00 0.00 C ATOM 0 H PHE A 35 -0.373 8.376 11.772 1.00 0.00 H new ATOM 0 HA PHE A 35 2.331 9.188 10.886 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -0.080 8.555 9.138 1.00 0.00 H new ATOM 0 HB3 PHE A 35 1.470 9.146 8.571 1.00 0.00 H new ATOM 0 HD1 PHE A 35 3.488 7.687 8.717 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -0.399 6.238 9.684 1.00 0.00 H new ATOM 0 HE1 PHE A 35 4.299 5.377 8.512 1.00 0.00 H new ATOM 0 HE2 PHE A 35 0.409 3.927 9.483 1.00 0.00 H new ATOM 0 HZ PHE A 35 2.761 3.492 8.896 1.00 0.00 H new ATOM 564 N ARG A 36 1.628 11.554 10.792 1.00 0.00 N ATOM 565 CA ARG A 36 1.246 12.960 10.829 1.00 0.00 C ATOM 566 C ARG A 36 1.309 13.578 9.436 1.00 0.00 C ATOM 567 O ARG A 36 0.534 14.478 9.110 1.00 0.00 O ATOM 568 CB ARG A 36 2.156 13.734 11.784 1.00 0.00 C ATOM 569 CG ARG A 36 3.638 13.504 11.531 1.00 0.00 C ATOM 570 CD ARG A 36 4.399 14.815 11.430 1.00 0.00 C ATOM 571 NE ARG A 36 5.755 14.625 10.920 1.00 0.00 N ATOM 572 CZ ARG A 36 6.499 15.601 10.405 1.00 0.00 C ATOM 573 NH1 ARG A 36 6.023 16.837 10.330 1.00 0.00 N ATOM 574 NH2 ARG A 36 7.722 15.340 9.965 1.00 0.00 N ATOM 0 H ARG A 36 2.635 11.390 10.807 1.00 0.00 H new ATOM 0 HA ARG A 36 0.219 13.021 11.188 1.00 0.00 H new ATOM 0 HB2 ARG A 36 1.941 14.799 11.694 1.00 0.00 H new ATOM 0 HB3 ARG A 36 1.922 13.447 12.809 1.00 0.00 H new ATOM 0 HG2 ARG A 36 4.056 12.901 12.337 1.00 0.00 H new ATOM 0 HG3 ARG A 36 3.766 12.936 10.609 1.00 0.00 H new ATOM 0 HD2 ARG A 36 3.858 15.498 10.775 1.00 0.00 H new ATOM 0 HD3 ARG A 36 4.444 15.284 12.413 1.00 0.00 H new ATOM 0 HE ARG A 36 6.156 13.688 10.961 1.00 0.00 H new ATOM 0 HH11 ARG A 36 5.083 17.043 10.668 1.00 0.00 H new ATOM 0 HH12 ARG A 36 6.597 17.582 9.934 1.00 0.00 H new ATOM 0 HH21 ARG A 36 8.093 14.391 10.021 1.00 0.00 H new ATOM 0 HH22 ARG A 36 8.292 16.088 9.570 1.00 0.00 H new ATOM 588 N SER A 37 2.236 13.090 8.619 1.00 0.00 N ATOM 589 CA SER A 37 2.400 13.596 7.261 1.00 0.00 C ATOM 590 C SER A 37 2.784 12.471 6.304 1.00 0.00 C ATOM 591 O SER A 37 2.949 11.323 6.714 1.00 0.00 O ATOM 592 CB SER A 37 3.464 14.694 7.228 1.00 0.00 C ATOM 593 OG SER A 37 4.705 14.217 7.719 1.00 0.00 O ATOM 0 H SER A 37 2.885 12.345 8.873 1.00 0.00 H new ATOM 0 HA SER A 37 1.446 14.014 6.938 1.00 0.00 H new ATOM 0 HB2 SER A 37 3.588 15.054 6.207 1.00 0.00 H new ATOM 0 HB3 SER A 37 3.134 15.542 7.827 1.00 0.00 H new ATOM 0 HG SER A 37 5.369 14.937 7.686 1.00 0.00 H new ATOM 599 N PHE A 38 2.922 12.810 5.026 1.00 0.00 N ATOM 600 CA PHE A 38 3.286 11.830 4.011 1.00 0.00 C ATOM 601 C PHE A 38 4.718 11.345 4.211 1.00 0.00 C ATOM 602 O PHE A 38 5.044 10.198 3.903 1.00 0.00 O ATOM 603 CB PHE A 38 3.131 12.431 2.613 1.00 0.00 C ATOM 604 CG PHE A 38 2.936 11.402 1.535 1.00 0.00 C ATOM 605 CD1 PHE A 38 1.894 10.492 1.608 1.00 0.00 C ATOM 606 CD2 PHE A 38 3.796 11.347 0.450 1.00 0.00 C ATOM 607 CE1 PHE A 38 1.714 9.545 0.619 1.00 0.00 C ATOM 608 CE2 PHE A 38 3.619 10.402 -0.543 1.00 0.00 C ATOM 609 CZ PHE A 38 2.577 9.499 -0.459 1.00 0.00 C ATOM 0 H PHE A 38 2.787 13.756 4.670 1.00 0.00 H new ATOM 0 HA PHE A 38 2.615 10.977 4.109 1.00 0.00 H new ATOM 0 HB2 PHE A 38 2.280 13.112 2.612 1.00 0.00 H new ATOM 0 HB3 PHE A 38 4.015 13.025 2.382 1.00 0.00 H new ATOM 0 HD1 PHE A 38 1.215 10.523 2.447 1.00 0.00 H new ATOM 0 HD2 PHE A 38 4.613 12.050 0.379 1.00 0.00 H new ATOM 0 HE1 PHE A 38 0.899 8.840 0.688 1.00 0.00 H new ATOM 0 HE2 PHE A 38 4.295 10.370 -1.384 1.00 0.00 H new ATOM 0 HZ PHE A 38 2.437 8.759 -1.234 1.00 0.00 H new ATOM 619 N GLU A 39 5.569 12.224 4.729 1.00 0.00 N ATOM 620 CA GLU A 39 6.967 11.884 4.970 1.00 0.00 C ATOM 621 C GLU A 39 7.082 10.715 5.943 1.00 0.00 C ATOM 622 O GLU A 39 7.846 9.778 5.715 1.00 0.00 O ATOM 623 CB GLU A 39 7.721 13.099 5.517 1.00 0.00 C ATOM 624 CG GLU A 39 8.626 13.763 4.492 1.00 0.00 C ATOM 625 CD GLU A 39 10.015 14.043 5.033 1.00 0.00 C ATOM 626 OE1 GLU A 39 10.124 14.440 6.212 1.00 0.00 O ATOM 627 OE2 GLU A 39 10.994 13.866 4.278 1.00 0.00 O ATOM 0 H GLU A 39 5.316 13.177 4.990 1.00 0.00 H new ATOM 0 HA GLU A 39 7.413 11.586 4.021 1.00 0.00 H new ATOM 0 HB2 GLU A 39 7.000 13.831 5.881 1.00 0.00 H new ATOM 0 HB3 GLU A 39 8.321 12.789 6.373 1.00 0.00 H new ATOM 0 HG2 GLU A 39 8.705 13.122 3.614 1.00 0.00 H new ATOM 0 HG3 GLU A 39 8.172 14.699 4.165 1.00 0.00 H new ATOM 634 N ALA A 40 6.318 10.778 7.029 1.00 0.00 N ATOM 635 CA ALA A 40 6.334 9.725 8.038 1.00 0.00 C ATOM 636 C ALA A 40 5.927 8.384 7.435 1.00 0.00 C ATOM 637 O ALA A 40 6.396 7.331 7.866 1.00 0.00 O ATOM 638 CB ALA A 40 5.416 10.087 9.194 1.00 0.00 C ATOM 0 H ALA A 40 5.680 11.547 7.233 1.00 0.00 H new ATOM 0 HA ALA A 40 7.352 9.631 8.415 1.00 0.00 H new ATOM 0 HB1 ALA A 40 5.438 9.292 9.939 1.00 0.00 H new ATOM 0 HB2 ALA A 40 5.753 11.019 9.648 1.00 0.00 H new ATOM 0 HB3 ALA A 40 4.398 10.210 8.825 1.00 0.00 H new ATOM 644 N LEU A 41 5.051 8.432 6.437 1.00 0.00 N ATOM 645 CA LEU A 41 4.581 7.219 5.776 1.00 0.00 C ATOM 646 C LEU A 41 5.578 6.754 4.721 1.00 0.00 C ATOM 647 O LEU A 41 5.716 5.557 4.469 1.00 0.00 O ATOM 648 CB LEU A 41 3.214 7.464 5.130 1.00 0.00 C ATOM 649 CG LEU A 41 2.510 6.209 4.613 1.00 0.00 C ATOM 650 CD1 LEU A 41 2.098 5.312 5.769 1.00 0.00 C ATOM 651 CD2 LEU A 41 1.299 6.587 3.772 1.00 0.00 C ATOM 0 H LEU A 41 4.653 9.296 6.068 1.00 0.00 H new ATOM 0 HA LEU A 41 4.486 6.437 6.529 1.00 0.00 H new ATOM 0 HB2 LEU A 41 2.567 7.951 5.859 1.00 0.00 H new ATOM 0 HB3 LEU A 41 3.340 8.160 4.300 1.00 0.00 H new ATOM 0 HG LEU A 41 3.208 5.657 3.984 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.599 4.424 5.381 1.00 0.00 H new ATOM 0 HD12 LEU A 41 2.983 5.014 6.331 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.417 5.854 6.425 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.809 5.682 3.412 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.599 7.161 4.379 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.620 7.189 2.922 1.00 0.00 H new ATOM 663 N LEU A 42 6.271 7.709 4.107 1.00 0.00 N ATOM 664 CA LEU A 42 7.257 7.396 3.079 1.00 0.00 C ATOM 665 C LEU A 42 8.488 6.735 3.689 1.00 0.00 C ATOM 666 O LEU A 42 9.003 5.750 3.161 1.00 0.00 O ATOM 667 CB LEU A 42 7.663 8.666 2.330 1.00 0.00 C ATOM 668 CG LEU A 42 6.668 9.139 1.269 1.00 0.00 C ATOM 669 CD1 LEU A 42 7.022 10.540 0.793 1.00 0.00 C ATOM 670 CD2 LEU A 42 6.637 8.168 0.099 1.00 0.00 C ATOM 0 H LEU A 42 6.168 8.705 4.304 1.00 0.00 H new ATOM 0 HA LEU A 42 6.804 6.697 2.376 1.00 0.00 H new ATOM 0 HB2 LEU A 42 7.805 9.467 3.055 1.00 0.00 H new ATOM 0 HB3 LEU A 42 8.627 8.494 1.851 1.00 0.00 H new ATOM 0 HG LEU A 42 5.675 9.170 1.716 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.304 10.860 0.038 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.993 11.229 1.637 1.00 0.00 H new ATOM 0 HD13 LEU A 42 8.023 10.536 0.362 1.00 0.00 H new ATOM 0 HD21 LEU A 42 5.924 8.520 -0.647 1.00 0.00 H new ATOM 0 HD22 LEU A 42 7.629 8.106 -0.348 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.336 7.182 0.452 1.00 0.00 H new ATOM 682 N ALA A 43 8.956 7.285 4.806 1.00 0.00 N ATOM 683 CA ALA A 43 10.127 6.748 5.489 1.00 0.00 C ATOM 684 C ALA A 43 9.883 5.318 5.956 1.00 0.00 C ATOM 685 O ALA A 43 10.797 4.494 5.971 1.00 0.00 O ATOM 686 CB ALA A 43 10.501 7.634 6.667 1.00 0.00 C ATOM 0 H ALA A 43 8.542 8.101 5.256 1.00 0.00 H new ATOM 0 HA ALA A 43 10.956 6.733 4.781 1.00 0.00 H new ATOM 0 HB1 ALA A 43 11.377 7.222 7.168 1.00 0.00 H new ATOM 0 HB2 ALA A 43 10.727 8.639 6.309 1.00 0.00 H new ATOM 0 HB3 ALA A 43 9.668 7.677 7.369 1.00 0.00 H new ATOM 692 N ASP A 44 8.642 5.029 6.338 1.00 0.00 N ATOM 693 CA ASP A 44 8.277 3.698 6.806 1.00 0.00 C ATOM 694 C ASP A 44 8.214 2.711 5.645 1.00 0.00 C ATOM 695 O ASP A 44 8.553 1.537 5.795 1.00 0.00 O ATOM 696 CB ASP A 44 6.929 3.740 7.528 1.00 0.00 C ATOM 697 CG ASP A 44 6.881 2.804 8.719 1.00 0.00 C ATOM 698 OD1 ASP A 44 7.954 2.503 9.281 1.00 0.00 O ATOM 699 OD2 ASP A 44 5.769 2.370 9.089 1.00 0.00 O ATOM 0 H ASP A 44 7.873 5.699 6.332 1.00 0.00 H new ATOM 0 HA ASP A 44 9.045 3.363 7.503 1.00 0.00 H new ATOM 0 HB2 ASP A 44 6.730 4.758 7.862 1.00 0.00 H new ATOM 0 HB3 ASP A 44 6.137 3.474 6.828 1.00 0.00 H new ATOM 704 N LEU A 45 7.778 3.195 4.487 1.00 0.00 N ATOM 705 CA LEU A 45 7.672 2.356 3.299 1.00 0.00 C ATOM 706 C LEU A 45 9.051 1.928 2.810 1.00 0.00 C ATOM 707 O LEU A 45 9.244 0.788 2.384 1.00 0.00 O ATOM 708 CB LEU A 45 6.933 3.102 2.186 1.00 0.00 C ATOM 709 CG LEU A 45 5.407 3.001 2.241 1.00 0.00 C ATOM 710 CD1 LEU A 45 4.774 3.942 1.228 1.00 0.00 C ATOM 711 CD2 LEU A 45 4.960 1.569 1.994 1.00 0.00 C ATOM 0 H LEU A 45 7.492 4.164 4.346 1.00 0.00 H new ATOM 0 HA LEU A 45 7.107 1.463 3.566 1.00 0.00 H new ATOM 0 HB2 LEU A 45 7.214 4.154 2.226 1.00 0.00 H new ATOM 0 HB3 LEU A 45 7.273 2.718 1.224 1.00 0.00 H new ATOM 0 HG LEU A 45 5.077 3.297 3.237 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.689 3.857 1.281 1.00 0.00 H new ATOM 0 HD12 LEU A 45 5.069 4.968 1.450 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.110 3.677 0.226 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.872 1.515 2.037 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.301 1.246 1.010 1.00 0.00 H new ATOM 0 HD23 LEU A 45 5.386 0.918 2.758 1.00 0.00 H new ATOM 723 N THR A 46 10.008 2.847 2.873 1.00 0.00 N ATOM 724 CA THR A 46 11.371 2.564 2.437 1.00 0.00 C ATOM 725 C THR A 46 12.017 1.504 3.323 1.00 0.00 C ATOM 726 O THR A 46 12.853 0.724 2.866 1.00 0.00 O ATOM 727 CB THR A 46 12.210 3.842 2.457 1.00 0.00 C ATOM 728 OG1 THR A 46 11.551 4.887 1.765 1.00 0.00 O ATOM 729 CG2 THR A 46 13.578 3.670 1.832 1.00 0.00 C ATOM 0 H THR A 46 9.865 3.795 3.222 1.00 0.00 H new ATOM 0 HA THR A 46 11.328 2.182 1.417 1.00 0.00 H new ATOM 0 HB THR A 46 12.337 4.086 3.512 1.00 0.00 H new ATOM 0 HG1 THR A 46 10.807 5.221 2.308 1.00 0.00 H new ATOM 0 HG21 THR A 46 14.121 4.614 1.879 1.00 0.00 H new ATOM 0 HG22 THR A 46 14.133 2.905 2.375 1.00 0.00 H new ATOM 0 HG23 THR A 46 13.467 3.367 0.791 1.00 0.00 H new ATOM 737 N ARG A 47 11.623 1.480 4.592 1.00 0.00 N ATOM 738 CA ARG A 47 12.164 0.515 5.541 1.00 0.00 C ATOM 739 C ARG A 47 11.626 -0.885 5.259 1.00 0.00 C ATOM 740 O ARG A 47 12.307 -1.883 5.497 1.00 0.00 O ATOM 741 CB ARG A 47 11.818 0.927 6.972 1.00 0.00 C ATOM 742 CG ARG A 47 12.661 0.228 8.028 1.00 0.00 C ATOM 743 CD ARG A 47 11.979 0.242 9.388 1.00 0.00 C ATOM 744 NE ARG A 47 11.692 -1.107 9.869 1.00 0.00 N ATOM 745 CZ ARG A 47 12.600 -1.907 10.423 1.00 0.00 C ATOM 746 NH1 ARG A 47 13.854 -1.499 10.565 1.00 0.00 N ATOM 747 NH2 ARG A 47 12.253 -3.118 10.835 1.00 0.00 N ATOM 0 H ARG A 47 10.931 2.118 4.986 1.00 0.00 H new ATOM 0 HA ARG A 47 13.248 0.499 5.427 1.00 0.00 H new ATOM 0 HB2 ARG A 47 11.946 2.005 7.072 1.00 0.00 H new ATOM 0 HB3 ARG A 47 10.766 0.712 7.159 1.00 0.00 H new ATOM 0 HG2 ARG A 47 12.846 -0.802 7.724 1.00 0.00 H new ATOM 0 HG3 ARG A 47 13.632 0.718 8.102 1.00 0.00 H new ATOM 0 HD2 ARG A 47 12.616 0.756 10.108 1.00 0.00 H new ATOM 0 HD3 ARG A 47 11.050 0.809 9.322 1.00 0.00 H new ATOM 0 HE ARG A 47 10.739 -1.457 9.775 1.00 0.00 H new ATOM 0 HH11 ARG A 47 14.126 -0.568 10.249 1.00 0.00 H new ATOM 0 HH12 ARG A 47 14.546 -2.116 10.990 1.00 0.00 H new ATOM 0 HH21 ARG A 47 11.290 -3.437 10.727 1.00 0.00 H new ATOM 0 HH22 ARG A 47 12.949 -3.731 11.260 1.00 0.00 H new ATOM 761 N THR A 48 10.400 -0.951 4.750 1.00 0.00 N ATOM 762 CA THR A 48 9.771 -2.229 4.436 1.00 0.00 C ATOM 763 C THR A 48 9.973 -2.586 2.967 1.00 0.00 C ATOM 764 O THR A 48 10.779 -3.455 2.634 1.00 0.00 O ATOM 765 CB THR A 48 8.277 -2.178 4.760 1.00 0.00 C ATOM 766 OG1 THR A 48 7.633 -1.170 4.001 1.00 0.00 O ATOM 767 CG2 THR A 48 7.990 -1.908 6.220 1.00 0.00 C ATOM 0 H THR A 48 9.823 -0.135 4.546 1.00 0.00 H new ATOM 0 HA THR A 48 10.242 -2.999 5.047 1.00 0.00 H new ATOM 0 HB THR A 48 7.893 -3.167 4.509 1.00 0.00 H new ATOM 0 HG1 THR A 48 6.678 -1.154 4.221 1.00 0.00 H new ATOM 0 HG21 THR A 48 6.912 -1.885 6.381 1.00 0.00 H new ATOM 0 HG22 THR A 48 8.431 -2.697 6.829 1.00 0.00 H new ATOM 0 HG23 THR A 48 8.420 -0.947 6.504 1.00 0.00 H new ATOM 775 N LEU A 49 9.233 -1.912 2.092 1.00 0.00 N ATOM 776 CA LEU A 49 9.329 -2.158 0.658 1.00 0.00 C ATOM 777 C LEU A 49 10.482 -1.370 0.044 1.00 0.00 C ATOM 778 O LEU A 49 10.299 -0.249 -0.430 1.00 0.00 O ATOM 779 CB LEU A 49 8.017 -1.786 -0.034 1.00 0.00 C ATOM 780 CG LEU A 49 6.757 -2.356 0.621 1.00 0.00 C ATOM 781 CD1 LEU A 49 5.510 -1.796 -0.047 1.00 0.00 C ATOM 782 CD2 LEU A 49 6.763 -3.875 0.554 1.00 0.00 C ATOM 0 H LEU A 49 8.560 -1.191 2.352 1.00 0.00 H new ATOM 0 HA LEU A 49 9.521 -3.221 0.511 1.00 0.00 H new ATOM 0 HB2 LEU A 49 7.934 -0.700 -0.063 1.00 0.00 H new ATOM 0 HB3 LEU A 49 8.058 -2.130 -1.068 1.00 0.00 H new ATOM 0 HG LEU A 49 6.748 -2.059 1.670 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.623 -2.212 0.431 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.500 -0.711 0.052 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.512 -2.064 -1.104 1.00 0.00 H new ATOM 0 HD21 LEU A 49 5.860 -4.264 1.024 1.00 0.00 H new ATOM 0 HD22 LEU A 49 6.795 -4.193 -0.488 1.00 0.00 H new ATOM 0 HD23 LEU A 49 7.639 -4.259 1.078 1.00 0.00 H new ATOM 794 N SER A 50 11.670 -1.965 0.055 1.00 0.00 N ATOM 795 CA SER A 50 12.854 -1.321 -0.502 1.00 0.00 C ATOM 796 C SER A 50 14.060 -2.251 -0.436 1.00 0.00 C ATOM 797 O SER A 50 14.310 -2.890 0.587 1.00 0.00 O ATOM 798 CB SER A 50 13.154 -0.022 0.249 1.00 0.00 C ATOM 799 OG SER A 50 13.733 0.943 -0.611 1.00 0.00 O ATOM 0 H SER A 50 11.839 -2.893 0.444 1.00 0.00 H new ATOM 0 HA SER A 50 12.654 -1.089 -1.548 1.00 0.00 H new ATOM 0 HB2 SER A 50 12.234 0.374 0.678 1.00 0.00 H new ATOM 0 HB3 SER A 50 13.830 -0.226 1.079 1.00 0.00 H new ATOM 0 HG SER A 50 14.328 1.526 -0.095 1.00 0.00 H new ATOM 805 N ASP A 51 14.806 -2.324 -1.534 1.00 0.00 N ATOM 806 CA ASP A 51 15.987 -3.177 -1.600 1.00 0.00 C ATOM 807 C ASP A 51 16.701 -3.014 -2.938 1.00 0.00 C ATOM 808 O ASP A 51 16.353 -2.146 -3.738 1.00 0.00 O ATOM 809 CB ASP A 51 15.597 -4.641 -1.391 1.00 0.00 C ATOM 810 CG ASP A 51 16.620 -5.400 -0.568 1.00 0.00 C ATOM 811 OD1 ASP A 51 17.240 -4.783 0.323 1.00 0.00 O ATOM 812 OD2 ASP A 51 16.800 -6.611 -0.815 1.00 0.00 O ATOM 0 H ASP A 51 14.614 -1.803 -2.390 1.00 0.00 H new ATOM 0 HA ASP A 51 16.669 -2.874 -0.806 1.00 0.00 H new ATOM 0 HB2 ASP A 51 14.628 -4.689 -0.895 1.00 0.00 H new ATOM 0 HB3 ASP A 51 15.483 -5.126 -2.361 1.00 0.00 H new ATOM 817 N ASN A 52 17.704 -3.854 -3.174 1.00 0.00 N ATOM 818 CA ASN A 52 18.469 -3.803 -4.415 1.00 0.00 C ATOM 819 C ASN A 52 17.939 -4.815 -5.426 1.00 0.00 C ATOM 820 O ASN A 52 18.711 -5.477 -6.120 1.00 0.00 O ATOM 821 CB ASN A 52 19.949 -4.070 -4.135 1.00 0.00 C ATOM 822 CG ASN A 52 20.853 -3.501 -5.211 1.00 0.00 C ATOM 823 OD1 ASN A 52 20.697 -3.807 -6.393 1.00 0.00 O ATOM 824 ND2 ASN A 52 21.805 -2.670 -4.805 1.00 0.00 N ATOM 0 H ASN A 52 18.006 -4.578 -2.522 1.00 0.00 H new ATOM 0 HA ASN A 52 18.360 -2.805 -4.839 1.00 0.00 H new ATOM 0 HB2 ASN A 52 20.218 -3.636 -3.172 1.00 0.00 H new ATOM 0 HB3 ASN A 52 20.113 -5.145 -4.057 1.00 0.00 H new ATOM 0 HD21 ASN A 52 22.445 -2.257 -5.484 1.00 0.00 H new ATOM 0 HD22 ASN A 52 21.897 -2.445 -3.814 1.00 0.00 H new ATOM 831 N VAL A 53 16.617 -4.928 -5.507 1.00 0.00 N ATOM 832 CA VAL A 53 15.986 -5.858 -6.436 1.00 0.00 C ATOM 833 C VAL A 53 14.968 -5.145 -7.319 1.00 0.00 C ATOM 834 O VAL A 53 14.922 -5.362 -8.531 1.00 0.00 O ATOM 835 CB VAL A 53 15.285 -7.009 -5.692 1.00 0.00 C ATOM 836 CG1 VAL A 53 14.809 -8.070 -6.673 1.00 0.00 C ATOM 837 CG2 VAL A 53 16.213 -7.615 -4.650 1.00 0.00 C ATOM 0 H VAL A 53 15.963 -4.388 -4.941 1.00 0.00 H new ATOM 0 HA VAL A 53 16.780 -6.270 -7.059 1.00 0.00 H new ATOM 0 HB VAL A 53 14.412 -6.605 -5.178 1.00 0.00 H new ATOM 0 HG11 VAL A 53 14.316 -8.875 -6.128 1.00 0.00 H new ATOM 0 HG12 VAL A 53 14.106 -7.625 -7.377 1.00 0.00 H new ATOM 0 HG13 VAL A 53 15.663 -8.471 -7.218 1.00 0.00 H new ATOM 0 HG21 VAL A 53 15.700 -8.427 -4.134 1.00 0.00 H new ATOM 0 HG22 VAL A 53 17.106 -8.003 -5.140 1.00 0.00 H new ATOM 0 HG23 VAL A 53 16.499 -6.850 -3.928 1.00 0.00 H new ATOM 847 N ASN A 54 14.152 -4.294 -6.706 1.00 0.00 N ATOM 848 CA ASN A 54 13.133 -3.549 -7.437 1.00 0.00 C ATOM 849 C ASN A 54 13.366 -2.046 -7.313 1.00 0.00 C ATOM 850 O ASN A 54 13.653 -1.370 -8.302 1.00 0.00 O ATOM 851 CB ASN A 54 11.740 -3.907 -6.918 1.00 0.00 C ATOM 852 CG ASN A 54 11.101 -5.033 -7.706 1.00 0.00 C ATOM 853 OD1 ASN A 54 10.737 -4.864 -8.870 1.00 0.00 O ATOM 854 ND2 ASN A 54 10.961 -6.192 -7.074 1.00 0.00 N ATOM 0 H ASN A 54 14.176 -4.103 -5.704 1.00 0.00 H new ATOM 0 HA ASN A 54 13.201 -3.823 -8.490 1.00 0.00 H new ATOM 0 HB2 ASN A 54 11.809 -4.195 -5.869 1.00 0.00 H new ATOM 0 HB3 ASN A 54 11.100 -3.026 -6.965 1.00 0.00 H new ATOM 0 HD21 ASN A 54 10.538 -6.987 -7.554 1.00 0.00 H new ATOM 0 HD22 ASN A 54 11.277 -6.288 -6.109 1.00 0.00 H new ATOM 861 N LEU A 55 13.240 -1.530 -6.095 1.00 0.00 N ATOM 862 CA LEU A 55 13.436 -0.108 -5.843 1.00 0.00 C ATOM 863 C LEU A 55 14.715 0.133 -5.042 1.00 0.00 C ATOM 864 O LEU A 55 14.683 0.196 -3.813 1.00 0.00 O ATOM 865 CB LEU A 55 12.234 0.470 -5.095 1.00 0.00 C ATOM 866 CG LEU A 55 10.878 0.228 -5.762 1.00 0.00 C ATOM 867 CD1 LEU A 55 10.152 -0.929 -5.093 1.00 0.00 C ATOM 868 CD2 LEU A 55 10.028 1.488 -5.718 1.00 0.00 C ATOM 0 H LEU A 55 13.003 -2.076 -5.267 1.00 0.00 H new ATOM 0 HA LEU A 55 13.532 0.396 -6.805 1.00 0.00 H new ATOM 0 HB2 LEU A 55 12.210 0.043 -4.092 1.00 0.00 H new ATOM 0 HB3 LEU A 55 12.379 1.544 -4.981 1.00 0.00 H new ATOM 0 HG LEU A 55 11.051 -0.033 -6.806 1.00 0.00 H new ATOM 0 HD11 LEU A 55 9.190 -1.086 -5.581 1.00 0.00 H new ATOM 0 HD12 LEU A 55 10.754 -1.834 -5.178 1.00 0.00 H new ATOM 0 HD13 LEU A 55 9.991 -0.698 -4.040 1.00 0.00 H new ATOM 0 HD21 LEU A 55 9.068 1.296 -6.197 1.00 0.00 H new ATOM 0 HD22 LEU A 55 9.864 1.780 -4.681 1.00 0.00 H new ATOM 0 HD23 LEU A 55 10.542 2.292 -6.245 1.00 0.00 H new ATOM 880 N PRO A 56 15.860 0.272 -5.732 1.00 0.00 N ATOM 881 CA PRO A 56 17.151 0.507 -5.078 1.00 0.00 C ATOM 882 C PRO A 56 17.245 1.900 -4.465 1.00 0.00 C ATOM 883 O PRO A 56 17.961 2.111 -3.487 1.00 0.00 O ATOM 884 CB PRO A 56 18.160 0.356 -6.219 1.00 0.00 C ATOM 885 CG PRO A 56 17.390 0.685 -7.451 1.00 0.00 C ATOM 886 CD PRO A 56 15.985 0.211 -7.201 1.00 0.00 C ATOM 0 HA PRO A 56 17.319 -0.180 -4.249 1.00 0.00 H new ATOM 0 HB2 PRO A 56 19.007 1.029 -6.090 1.00 0.00 H new ATOM 0 HB3 PRO A 56 18.561 -0.657 -6.261 1.00 0.00 H new ATOM 0 HG2 PRO A 56 17.411 1.757 -7.649 1.00 0.00 H new ATOM 0 HG3 PRO A 56 17.819 0.191 -8.323 1.00 0.00 H new ATOM 0 HD2 PRO A 56 15.252 0.850 -7.694 1.00 0.00 H new ATOM 0 HD3 PRO A 56 15.829 -0.801 -7.576 1.00 0.00 H new ATOM 894 N GLN A 57 16.517 2.847 -5.047 1.00 0.00 N ATOM 895 CA GLN A 57 16.518 4.221 -4.556 1.00 0.00 C ATOM 896 C GLN A 57 15.523 4.391 -3.413 1.00 0.00 C ATOM 897 O GLN A 57 15.731 5.203 -2.511 1.00 0.00 O ATOM 898 CB GLN A 57 16.179 5.190 -5.690 1.00 0.00 C ATOM 899 CG GLN A 57 17.319 5.396 -6.675 1.00 0.00 C ATOM 900 CD GLN A 57 17.102 4.658 -7.982 1.00 0.00 C ATOM 901 OE1 GLN A 57 15.968 4.465 -8.418 1.00 0.00 O ATOM 902 NE2 GLN A 57 18.193 4.240 -8.613 1.00 0.00 N ATOM 0 H GLN A 57 15.919 2.689 -5.858 1.00 0.00 H new ATOM 0 HA GLN A 57 17.517 4.446 -4.181 1.00 0.00 H new ATOM 0 HB2 GLN A 57 15.308 4.816 -6.228 1.00 0.00 H new ATOM 0 HB3 GLN A 57 15.900 6.153 -5.263 1.00 0.00 H new ATOM 0 HG2 GLN A 57 17.431 6.461 -6.878 1.00 0.00 H new ATOM 0 HG3 GLN A 57 18.251 5.058 -6.222 1.00 0.00 H new ATOM 0 HE21 GLN A 57 19.114 4.422 -8.214 1.00 0.00 H new ATOM 0 HE22 GLN A 57 18.110 3.737 -9.496 1.00 0.00 H new ATOM 911 N GLY A 58 14.441 3.621 -3.459 1.00 0.00 N ATOM 912 CA GLY A 58 13.427 3.701 -2.421 1.00 0.00 C ATOM 913 C GLY A 58 12.053 4.010 -2.979 1.00 0.00 C ATOM 914 O GLY A 58 11.834 3.931 -4.188 1.00 0.00 O ATOM 0 H GLY A 58 14.247 2.943 -4.196 1.00 0.00 H new ATOM 0 HA2 GLY A 58 13.392 2.757 -1.878 1.00 0.00 H new ATOM 0 HA3 GLY A 58 13.706 4.472 -1.703 1.00 0.00 H new ATOM 918 N VAL A 59 11.123 4.362 -2.096 1.00 0.00 N ATOM 919 CA VAL A 59 9.762 4.684 -2.508 1.00 0.00 C ATOM 920 C VAL A 59 9.595 6.186 -2.721 1.00 0.00 C ATOM 921 O VAL A 59 10.220 6.994 -2.035 1.00 0.00 O ATOM 922 CB VAL A 59 8.732 4.202 -1.467 1.00 0.00 C ATOM 923 CG1 VAL A 59 8.958 4.886 -0.128 1.00 0.00 C ATOM 924 CG2 VAL A 59 7.314 4.442 -1.965 1.00 0.00 C ATOM 0 H VAL A 59 11.287 4.431 -1.092 1.00 0.00 H new ATOM 0 HA VAL A 59 9.582 4.165 -3.450 1.00 0.00 H new ATOM 0 HB VAL A 59 8.866 3.130 -1.325 1.00 0.00 H new ATOM 0 HG11 VAL A 59 8.220 4.531 0.591 1.00 0.00 H new ATOM 0 HG12 VAL A 59 9.959 4.654 0.235 1.00 0.00 H new ATOM 0 HG13 VAL A 59 8.857 5.965 -0.249 1.00 0.00 H new ATOM 0 HG21 VAL A 59 6.602 4.095 -1.216 1.00 0.00 H new ATOM 0 HG22 VAL A 59 7.166 5.507 -2.141 1.00 0.00 H new ATOM 0 HG23 VAL A 59 7.158 3.896 -2.895 1.00 0.00 H new ATOM 934 N ARG A 60 8.746 6.552 -3.677 1.00 0.00 N ATOM 935 CA ARG A 60 8.497 7.955 -3.981 1.00 0.00 C ATOM 936 C ARG A 60 7.074 8.156 -4.494 1.00 0.00 C ATOM 937 O ARG A 60 6.282 8.881 -3.891 1.00 0.00 O ATOM 938 CB ARG A 60 9.507 8.461 -5.016 1.00 0.00 C ATOM 939 CG ARG A 60 10.323 9.651 -4.537 1.00 0.00 C ATOM 940 CD ARG A 60 9.956 10.922 -5.287 1.00 0.00 C ATOM 941 NE ARG A 60 11.129 11.739 -5.588 1.00 0.00 N ATOM 942 CZ ARG A 60 11.990 11.470 -6.568 1.00 0.00 C ATOM 943 NH1 ARG A 60 11.810 10.408 -7.344 1.00 0.00 N ATOM 944 NH2 ARG A 60 13.031 12.263 -6.773 1.00 0.00 N ATOM 0 H ARG A 60 8.220 5.896 -4.254 1.00 0.00 H new ATOM 0 HA ARG A 60 8.614 8.529 -3.062 1.00 0.00 H new ATOM 0 HB2 ARG A 60 10.184 7.648 -5.278 1.00 0.00 H new ATOM 0 HB3 ARG A 60 8.975 8.738 -5.926 1.00 0.00 H new ATOM 0 HG2 ARG A 60 10.160 9.798 -3.469 1.00 0.00 H new ATOM 0 HG3 ARG A 60 11.384 9.442 -4.671 1.00 0.00 H new ATOM 0 HD2 ARG A 60 9.448 10.661 -6.216 1.00 0.00 H new ATOM 0 HD3 ARG A 60 9.252 11.504 -4.692 1.00 0.00 H new ATOM 0 HE ARG A 60 11.299 12.565 -5.014 1.00 0.00 H new ATOM 0 HH11 ARG A 60 11.010 9.794 -7.191 1.00 0.00 H new ATOM 0 HH12 ARG A 60 12.472 10.206 -8.093 1.00 0.00 H new ATOM 0 HH21 ARG A 60 13.174 13.081 -6.180 1.00 0.00 H new ATOM 0 HH22 ARG A 60 13.690 12.056 -7.524 1.00 0.00 H new ATOM 958 N THR A 61 6.757 7.510 -5.611 1.00 0.00 N ATOM 959 CA THR A 61 5.430 7.618 -6.206 1.00 0.00 C ATOM 960 C THR A 61 4.634 6.333 -5.996 1.00 0.00 C ATOM 961 O THR A 61 5.022 5.266 -6.471 1.00 0.00 O ATOM 962 CB THR A 61 5.541 7.924 -7.701 1.00 0.00 C ATOM 963 OG1 THR A 61 6.778 8.547 -7.993 1.00 0.00 O ATOM 964 CG2 THR A 61 4.440 8.828 -8.209 1.00 0.00 C ATOM 0 H THR A 61 7.401 6.906 -6.122 1.00 0.00 H new ATOM 0 HA THR A 61 4.904 8.436 -5.713 1.00 0.00 H new ATOM 0 HB THR A 61 5.456 6.959 -8.202 1.00 0.00 H new ATOM 0 HG1 THR A 61 6.832 8.733 -8.954 1.00 0.00 H new ATOM 0 HG21 THR A 61 4.578 9.005 -9.276 1.00 0.00 H new ATOM 0 HG22 THR A 61 3.473 8.353 -8.042 1.00 0.00 H new ATOM 0 HG23 THR A 61 4.474 9.778 -7.676 1.00 0.00 H new ATOM 972 N ILE A 62 3.520 6.444 -5.281 1.00 0.00 N ATOM 973 CA ILE A 62 2.669 5.292 -5.008 1.00 0.00 C ATOM 974 C ILE A 62 1.427 5.305 -5.891 1.00 0.00 C ATOM 975 O ILE A 62 0.504 6.089 -5.669 1.00 0.00 O ATOM 976 CB ILE A 62 2.235 5.250 -3.530 1.00 0.00 C ATOM 977 CG1 ILE A 62 3.446 5.426 -2.612 1.00 0.00 C ATOM 978 CG2 ILE A 62 1.517 3.944 -3.225 1.00 0.00 C ATOM 979 CD1 ILE A 62 3.083 5.869 -1.212 1.00 0.00 C ATOM 0 H ILE A 62 3.185 7.320 -4.880 1.00 0.00 H new ATOM 0 HA ILE A 62 3.260 4.403 -5.230 1.00 0.00 H new ATOM 0 HB ILE A 62 1.544 6.073 -3.348 1.00 0.00 H new ATOM 0 HG12 ILE A 62 3.990 4.483 -2.557 1.00 0.00 H new ATOM 0 HG13 ILE A 62 4.122 6.159 -3.052 1.00 0.00 H new ATOM 0 HG21 ILE A 62 1.217 3.930 -2.177 1.00 0.00 H new ATOM 0 HG22 ILE A 62 0.633 3.859 -3.857 1.00 0.00 H new ATOM 0 HG23 ILE A 62 2.186 3.106 -3.422 1.00 0.00 H new ATOM 0 HD11 ILE A 62 3.990 5.973 -0.617 1.00 0.00 H new ATOM 0 HD12 ILE A 62 2.566 6.827 -1.256 1.00 0.00 H new ATOM 0 HD13 ILE A 62 2.431 5.126 -0.753 1.00 0.00 H new ATOM 991 N TYR A 63 1.409 4.433 -6.895 1.00 0.00 N ATOM 992 CA TYR A 63 0.279 4.345 -7.812 1.00 0.00 C ATOM 993 C TYR A 63 -0.773 3.373 -7.288 1.00 0.00 C ATOM 994 O TYR A 63 -0.536 2.647 -6.322 1.00 0.00 O ATOM 995 CB TYR A 63 0.753 3.904 -9.197 1.00 0.00 C ATOM 996 CG TYR A 63 1.691 4.888 -9.859 1.00 0.00 C ATOM 997 CD1 TYR A 63 1.199 5.976 -10.570 1.00 0.00 C ATOM 998 CD2 TYR A 63 3.069 4.730 -9.773 1.00 0.00 C ATOM 999 CE1 TYR A 63 2.053 6.877 -11.177 1.00 0.00 C ATOM 1000 CE2 TYR A 63 3.929 5.628 -10.377 1.00 0.00 C ATOM 1001 CZ TYR A 63 3.416 6.699 -11.077 1.00 0.00 C ATOM 1002 OH TYR A 63 4.270 7.594 -11.680 1.00 0.00 O ATOM 0 H TYR A 63 2.165 3.777 -7.094 1.00 0.00 H new ATOM 0 HA TYR A 63 -0.173 5.334 -7.888 1.00 0.00 H new ATOM 0 HB2 TYR A 63 1.254 2.940 -9.110 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -0.116 3.755 -9.839 1.00 0.00 H new ATOM 0 HD1 TYR A 63 0.132 6.120 -10.649 1.00 0.00 H new ATOM 0 HD2 TYR A 63 3.475 3.892 -9.225 1.00 0.00 H new ATOM 0 HE1 TYR A 63 1.654 7.717 -11.727 1.00 0.00 H new ATOM 0 HE2 TYR A 63 4.998 5.491 -10.301 1.00 0.00 H new ATOM 0 HH TYR A 63 5.197 7.325 -11.513 1.00 0.00 H new ATOM 1012 N THR A 64 -1.934 3.363 -7.933 1.00 0.00 N ATOM 1013 CA THR A 64 -3.023 2.479 -7.532 1.00 0.00 C ATOM 1014 C THR A 64 -2.728 1.037 -7.933 1.00 0.00 C ATOM 1015 O THR A 64 -1.643 0.728 -8.425 1.00 0.00 O ATOM 1016 CB THR A 64 -4.339 2.939 -8.163 1.00 0.00 C ATOM 1017 OG1 THR A 64 -4.096 3.715 -9.322 1.00 0.00 O ATOM 1018 CG2 THR A 64 -5.193 3.767 -7.227 1.00 0.00 C ATOM 0 H THR A 64 -2.146 3.956 -8.735 1.00 0.00 H new ATOM 0 HA THR A 64 -3.114 2.523 -6.447 1.00 0.00 H new ATOM 0 HB THR A 64 -4.878 2.023 -8.407 1.00 0.00 H new ATOM 0 HG1 THR A 64 -3.409 3.280 -9.869 1.00 0.00 H new ATOM 0 HG21 THR A 64 -6.111 4.061 -7.736 1.00 0.00 H new ATOM 0 HG22 THR A 64 -5.440 3.178 -6.344 1.00 0.00 H new ATOM 0 HG23 THR A 64 -4.643 4.659 -6.926 1.00 0.00 H new ATOM 1026 N ILE A 65 -3.701 0.157 -7.718 1.00 0.00 N ATOM 1027 CA ILE A 65 -3.545 -1.252 -8.056 1.00 0.00 C ATOM 1028 C ILE A 65 -3.521 -1.456 -9.568 1.00 0.00 C ATOM 1029 O ILE A 65 -2.835 -2.344 -10.074 1.00 0.00 O ATOM 1030 CB ILE A 65 -4.679 -2.104 -7.447 1.00 0.00 C ATOM 1031 CG1 ILE A 65 -4.439 -3.589 -7.724 1.00 0.00 C ATOM 1032 CG2 ILE A 65 -6.029 -1.667 -7.998 1.00 0.00 C ATOM 1033 CD1 ILE A 65 -3.299 -4.179 -6.921 1.00 0.00 C ATOM 0 H ILE A 65 -4.605 0.396 -7.311 1.00 0.00 H new ATOM 0 HA ILE A 65 -2.593 -1.576 -7.636 1.00 0.00 H new ATOM 0 HB ILE A 65 -4.684 -1.952 -6.368 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -5.352 -4.143 -7.505 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -4.232 -3.723 -8.786 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -6.817 -2.278 -7.558 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -6.201 -0.620 -7.750 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -6.037 -1.790 -9.081 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -3.187 -5.234 -7.169 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -2.375 -3.651 -7.158 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -3.513 -4.077 -5.857 1.00 0.00 H new ATOM 1045 N ASP A 66 -4.272 -0.626 -10.284 1.00 0.00 N ATOM 1046 CA ASP A 66 -4.336 -0.716 -11.738 1.00 0.00 C ATOM 1047 C ASP A 66 -3.503 0.385 -12.389 1.00 0.00 C ATOM 1048 O ASP A 66 -2.842 0.160 -13.402 1.00 0.00 O ATOM 1049 CB ASP A 66 -5.787 -0.619 -12.213 1.00 0.00 C ATOM 1050 CG ASP A 66 -6.452 -1.978 -12.317 1.00 0.00 C ATOM 1051 OD1 ASP A 66 -6.697 -2.601 -11.263 1.00 0.00 O ATOM 1052 OD2 ASP A 66 -6.727 -2.420 -13.452 1.00 0.00 O ATOM 0 H ASP A 66 -4.844 0.116 -9.881 1.00 0.00 H new ATOM 0 HA ASP A 66 -3.927 -1.682 -12.035 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -6.352 0.007 -11.522 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -5.816 -0.128 -13.185 1.00 0.00 H new ATOM 1057 N GLY A 67 -3.540 1.575 -11.798 1.00 0.00 N ATOM 1058 CA GLY A 67 -2.784 2.693 -12.333 1.00 0.00 C ATOM 1059 C GLY A 67 -3.677 3.808 -12.841 1.00 0.00 C ATOM 1060 O GLY A 67 -3.321 4.519 -13.780 1.00 0.00 O ATOM 0 H GLY A 67 -4.080 1.785 -10.958 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -2.124 3.085 -11.559 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -2.149 2.342 -13.146 1.00 0.00 H new ATOM 1064 N LEU A 68 -4.842 3.961 -12.218 1.00 0.00 N ATOM 1065 CA LEU A 68 -5.789 4.997 -12.613 1.00 0.00 C ATOM 1066 C LEU A 68 -5.343 6.364 -12.103 1.00 0.00 C ATOM 1067 O LEU A 68 -5.522 7.377 -12.778 1.00 0.00 O ATOM 1068 CB LEU A 68 -7.186 4.672 -12.080 1.00 0.00 C ATOM 1069 CG LEU A 68 -7.642 3.228 -12.297 1.00 0.00 C ATOM 1070 CD1 LEU A 68 -8.790 2.885 -11.361 1.00 0.00 C ATOM 1071 CD2 LEU A 68 -8.051 3.013 -13.747 1.00 0.00 C ATOM 0 H LEU A 68 -5.152 3.381 -11.438 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.822 5.028 -13.702 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -7.210 4.888 -11.012 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -7.904 5.339 -12.556 1.00 0.00 H new ATOM 0 HG LEU A 68 -6.807 2.564 -12.072 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -9.101 1.854 -11.530 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -8.464 3.001 -10.327 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -9.629 3.553 -11.554 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -8.373 1.981 -13.885 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -8.872 3.685 -13.997 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -7.202 3.219 -14.399 1.00 0.00 H new ATOM 1083 N LYS A 69 -4.761 6.382 -10.909 1.00 0.00 N ATOM 1084 CA LYS A 69 -4.288 7.624 -10.308 1.00 0.00 C ATOM 1085 C LYS A 69 -3.036 7.382 -9.471 1.00 0.00 C ATOM 1086 O LYS A 69 -2.631 6.239 -9.260 1.00 0.00 O ATOM 1087 CB LYS A 69 -5.385 8.246 -9.440 1.00 0.00 C ATOM 1088 CG LYS A 69 -6.254 9.246 -10.183 1.00 0.00 C ATOM 1089 CD LYS A 69 -7.322 9.838 -9.278 1.00 0.00 C ATOM 1090 CE LYS A 69 -6.753 10.929 -8.384 1.00 0.00 C ATOM 1091 NZ LYS A 69 -7.773 11.960 -8.048 1.00 0.00 N ATOM 0 H LYS A 69 -4.605 5.551 -10.338 1.00 0.00 H new ATOM 0 HA LYS A 69 -4.036 8.315 -11.113 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -6.017 7.452 -9.044 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -4.924 8.742 -8.586 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -5.630 10.046 -10.582 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -6.727 8.756 -11.034 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -8.129 10.248 -9.886 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -7.756 9.050 -8.662 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -6.371 10.483 -7.465 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -5.908 11.403 -8.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -7.345 12.685 -7.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -8.119 12.404 -8.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -8.568 11.512 -7.549 1.00 0.00 H new ATOM 1105 N LYS A 70 -2.428 8.465 -8.997 1.00 0.00 N ATOM 1106 CA LYS A 70 -1.222 8.370 -8.182 1.00 0.00 C ATOM 1107 C LYS A 70 -1.419 9.059 -6.837 1.00 0.00 C ATOM 1108 O LYS A 70 -1.875 10.201 -6.774 1.00 0.00 O ATOM 1109 CB LYS A 70 -0.034 8.991 -8.919 1.00 0.00 C ATOM 1110 CG LYS A 70 -0.239 10.455 -9.277 1.00 0.00 C ATOM 1111 CD LYS A 70 0.421 11.374 -8.261 1.00 0.00 C ATOM 1112 CE LYS A 70 1.088 12.561 -8.934 1.00 0.00 C ATOM 1113 NZ LYS A 70 1.813 13.421 -7.957 1.00 0.00 N ATOM 0 H LYS A 70 -2.751 9.418 -9.163 1.00 0.00 H new ATOM 0 HA LYS A 70 -1.017 7.315 -8.001 1.00 0.00 H new ATOM 0 HB2 LYS A 70 0.857 8.899 -8.298 1.00 0.00 H new ATOM 0 HB3 LYS A 70 0.153 8.425 -9.831 1.00 0.00 H new ATOM 0 HG2 LYS A 70 0.173 10.650 -10.267 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -1.306 10.673 -9.327 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -0.326 11.729 -7.551 1.00 0.00 H new ATOM 0 HD3 LYS A 70 1.162 10.814 -7.690 1.00 0.00 H new ATOM 0 HE2 LYS A 70 1.786 12.204 -9.691 1.00 0.00 H new ATOM 0 HE3 LYS A 70 0.335 13.155 -9.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 2.254 14.219 -8.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 1.143 13.783 -7.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 2.549 12.861 -7.482 1.00 0.00 H new ATOM 1127 N ILE A 71 -1.074 8.358 -5.762 1.00 0.00 N ATOM 1128 CA ILE A 71 -1.212 8.902 -4.416 1.00 0.00 C ATOM 1129 C ILE A 71 -0.070 9.858 -4.090 1.00 0.00 C ATOM 1130 O ILE A 71 1.094 9.566 -4.367 1.00 0.00 O ATOM 1131 CB ILE A 71 -1.250 7.783 -3.358 1.00 0.00 C ATOM 1132 CG1 ILE A 71 -2.252 6.700 -3.764 1.00 0.00 C ATOM 1133 CG2 ILE A 71 -1.604 8.357 -1.994 1.00 0.00 C ATOM 1134 CD1 ILE A 71 -3.673 7.205 -3.878 1.00 0.00 C ATOM 0 H ILE A 71 -0.696 7.411 -5.797 1.00 0.00 H new ATOM 0 HA ILE A 71 -2.156 9.446 -4.390 1.00 0.00 H new ATOM 0 HB ILE A 71 -0.261 7.329 -3.294 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -1.948 6.275 -4.721 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -2.219 5.893 -3.032 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -1.627 7.555 -1.257 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -0.856 9.095 -1.704 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -2.583 8.833 -2.043 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -4.329 6.384 -4.169 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -3.996 7.604 -2.916 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -3.720 7.992 -4.631 1.00 0.00 H new ATOM 1146 N SER A 72 -0.409 10.998 -3.497 1.00 0.00 N ATOM 1147 CA SER A 72 0.589 11.996 -3.131 1.00 0.00 C ATOM 1148 C SER A 72 0.495 12.341 -1.649 1.00 0.00 C ATOM 1149 O SER A 72 1.508 12.431 -0.956 1.00 0.00 O ATOM 1150 CB SER A 72 0.409 13.260 -3.974 1.00 0.00 C ATOM 1151 OG SER A 72 1.647 13.919 -4.177 1.00 0.00 O ATOM 0 H SER A 72 -1.368 11.254 -3.260 1.00 0.00 H new ATOM 0 HA SER A 72 1.576 11.576 -3.325 1.00 0.00 H new ATOM 0 HB2 SER A 72 -0.030 12.999 -4.937 1.00 0.00 H new ATOM 0 HB3 SER A 72 -0.289 13.935 -3.478 1.00 0.00 H new ATOM 0 HG SER A 72 1.505 14.722 -4.720 1.00 0.00 H new ATOM 1157 N SER A 73 -0.730 12.533 -1.169 1.00 0.00 N ATOM 1158 CA SER A 73 -0.957 12.868 0.233 1.00 0.00 C ATOM 1159 C SER A 73 -1.630 11.712 0.966 1.00 0.00 C ATOM 1160 O SER A 73 -1.796 10.626 0.412 1.00 0.00 O ATOM 1161 CB SER A 73 -1.819 14.128 0.344 1.00 0.00 C ATOM 1162 OG SER A 73 -1.258 15.197 -0.398 1.00 0.00 O ATOM 0 H SER A 73 -1.580 12.463 -1.729 1.00 0.00 H new ATOM 0 HA SER A 73 0.011 13.055 0.698 1.00 0.00 H new ATOM 0 HB2 SER A 73 -2.825 13.917 -0.019 1.00 0.00 H new ATOM 0 HB3 SER A 73 -1.912 14.417 1.391 1.00 0.00 H new ATOM 0 HG SER A 73 -1.828 15.989 -0.312 1.00 0.00 H new ATOM 1168 N LEU A 74 -2.012 11.954 2.215 1.00 0.00 N ATOM 1169 CA LEU A 74 -2.667 10.932 3.025 1.00 0.00 C ATOM 1170 C LEU A 74 -4.168 10.905 2.758 1.00 0.00 C ATOM 1171 O LEU A 74 -4.779 9.838 2.699 1.00 0.00 O ATOM 1172 CB LEU A 74 -2.405 11.184 4.512 1.00 0.00 C ATOM 1173 CG LEU A 74 -0.969 10.923 4.969 1.00 0.00 C ATOM 1174 CD1 LEU A 74 -0.601 11.846 6.121 1.00 0.00 C ATOM 1175 CD2 LEU A 74 -0.797 9.467 5.374 1.00 0.00 C ATOM 0 H LEU A 74 -1.880 12.848 2.689 1.00 0.00 H new ATOM 0 HA LEU A 74 -2.250 9.963 2.749 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.660 12.219 4.740 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.076 10.554 5.096 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.298 11.130 4.136 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.424 11.647 6.434 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.687 12.883 5.798 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -1.276 11.670 6.958 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.230 9.298 5.697 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -1.477 9.234 6.193 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -1.020 8.824 4.523 1.00 0.00 H new ATOM 1187 N ASP A 75 -4.757 12.086 2.598 1.00 0.00 N ATOM 1188 CA ASP A 75 -6.187 12.198 2.337 1.00 0.00 C ATOM 1189 C ASP A 75 -6.563 11.479 1.046 1.00 0.00 C ATOM 1190 O ASP A 75 -7.667 10.951 0.916 1.00 0.00 O ATOM 1191 CB ASP A 75 -6.598 13.669 2.254 1.00 0.00 C ATOM 1192 CG ASP A 75 -6.897 14.264 3.616 1.00 0.00 C ATOM 1193 OD1 ASP A 75 -6.234 13.866 4.597 1.00 0.00 O ATOM 1194 OD2 ASP A 75 -7.794 15.128 3.702 1.00 0.00 O ATOM 0 H ASP A 75 -4.266 12.979 2.645 1.00 0.00 H new ATOM 0 HA ASP A 75 -6.719 11.725 3.162 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -5.800 14.240 1.778 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -7.479 13.762 1.619 1.00 0.00 H new ATOM 1199 N GLN A 76 -5.636 11.464 0.093 1.00 0.00 N ATOM 1200 CA GLN A 76 -5.870 10.810 -1.191 1.00 0.00 C ATOM 1201 C GLN A 76 -6.155 9.324 -1.000 1.00 0.00 C ATOM 1202 O GLN A 76 -6.903 8.721 -1.769 1.00 0.00 O ATOM 1203 CB GLN A 76 -4.661 10.996 -2.109 1.00 0.00 C ATOM 1204 CG GLN A 76 -4.635 12.343 -2.814 1.00 0.00 C ATOM 1205 CD GLN A 76 -3.952 12.279 -4.166 1.00 0.00 C ATOM 1206 OE1 GLN A 76 -4.178 11.354 -4.946 1.00 0.00 O ATOM 1207 NE2 GLN A 76 -3.109 13.266 -4.451 1.00 0.00 N ATOM 0 H GLN A 76 -4.717 11.897 0.185 1.00 0.00 H new ATOM 0 HA GLN A 76 -6.742 11.272 -1.653 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -3.749 10.884 -1.522 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -4.658 10.203 -2.857 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -5.656 12.701 -2.943 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -4.120 13.069 -2.185 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -2.951 14.013 -3.775 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -2.620 13.276 -5.346 1.00 0.00 H new ATOM 1216 N LEU A 77 -5.553 8.738 0.030 1.00 0.00 N ATOM 1217 CA LEU A 77 -5.741 7.322 0.321 1.00 0.00 C ATOM 1218 C LEU A 77 -7.166 7.047 0.791 1.00 0.00 C ATOM 1219 O LEU A 77 -7.927 7.973 1.072 1.00 0.00 O ATOM 1220 CB LEU A 77 -4.743 6.860 1.384 1.00 0.00 C ATOM 1221 CG LEU A 77 -3.272 6.981 0.985 1.00 0.00 C ATOM 1222 CD1 LEU A 77 -2.388 7.063 2.221 1.00 0.00 C ATOM 1223 CD2 LEU A 77 -2.860 5.805 0.111 1.00 0.00 C ATOM 0 H LEU A 77 -4.931 9.222 0.677 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.566 6.763 -0.598 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -4.907 7.441 2.292 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -4.953 5.819 1.630 1.00 0.00 H new ATOM 0 HG LEU A 77 -3.145 7.899 0.411 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -1.345 7.149 1.917 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -2.667 7.936 2.811 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.518 6.163 2.822 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.810 5.906 -0.164 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.003 4.875 0.661 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.472 5.790 -0.791 1.00 0.00 H new ATOM 1235 N VAL A 78 -7.520 5.770 0.875 1.00 0.00 N ATOM 1236 CA VAL A 78 -8.854 5.373 1.312 1.00 0.00 C ATOM 1237 C VAL A 78 -8.789 4.193 2.274 1.00 0.00 C ATOM 1238 O VAL A 78 -7.825 3.428 2.270 1.00 0.00 O ATOM 1239 CB VAL A 78 -9.748 4.997 0.115 1.00 0.00 C ATOM 1240 CG1 VAL A 78 -11.184 4.782 0.567 1.00 0.00 C ATOM 1241 CG2 VAL A 78 -9.675 6.067 -0.963 1.00 0.00 C ATOM 0 H VAL A 78 -6.902 4.991 0.646 1.00 0.00 H new ATOM 0 HA VAL A 78 -9.288 6.232 1.824 1.00 0.00 H new ATOM 0 HB VAL A 78 -9.382 4.062 -0.309 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -11.800 4.517 -0.292 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -11.218 3.976 1.300 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -11.565 5.699 1.018 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -10.313 5.784 -1.800 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -10.014 7.019 -0.554 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -8.646 6.166 -1.308 1.00 0.00 H new ATOM 1251 N GLU A 79 -9.822 4.050 3.098 1.00 0.00 N ATOM 1252 CA GLU A 79 -9.882 2.962 4.068 1.00 0.00 C ATOM 1253 C GLU A 79 -10.098 1.623 3.370 1.00 0.00 C ATOM 1254 O GLU A 79 -11.214 1.295 2.966 1.00 0.00 O ATOM 1255 CB GLU A 79 -11.006 3.212 5.075 1.00 0.00 C ATOM 1256 CG GLU A 79 -10.678 2.735 6.482 1.00 0.00 C ATOM 1257 CD GLU A 79 -11.760 1.848 7.066 1.00 0.00 C ATOM 1258 OE1 GLU A 79 -12.945 2.057 6.729 1.00 0.00 O ATOM 1259 OE2 GLU A 79 -11.422 0.944 7.858 1.00 0.00 O ATOM 0 H GLU A 79 -10.629 4.674 3.114 1.00 0.00 H new ATOM 0 HA GLU A 79 -8.930 2.926 4.597 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -11.226 4.279 5.104 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -11.910 2.709 4.731 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -9.735 2.188 6.465 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -10.534 3.600 7.130 1.00 0.00 H new ATOM 1266 N GLY A 80 -9.023 0.854 3.233 1.00 0.00 N ATOM 1267 CA GLY A 80 -9.117 -0.441 2.585 1.00 0.00 C ATOM 1268 C GLY A 80 -8.853 -0.364 1.093 1.00 0.00 C ATOM 1269 O GLY A 80 -9.670 -0.811 0.288 1.00 0.00 O ATOM 0 H GLY A 80 -8.089 1.104 3.559 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -8.402 -1.125 3.042 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -10.110 -0.857 2.754 1.00 0.00 H new ATOM 1273 N GLU A 81 -7.711 0.207 0.725 1.00 0.00 N ATOM 1274 CA GLU A 81 -7.342 0.341 -0.680 1.00 0.00 C ATOM 1275 C GLU A 81 -5.968 -0.269 -0.941 1.00 0.00 C ATOM 1276 O GLU A 81 -5.238 -0.603 -0.008 1.00 0.00 O ATOM 1277 CB GLU A 81 -7.349 1.816 -1.091 1.00 0.00 C ATOM 1278 CG GLU A 81 -8.543 2.203 -1.948 1.00 0.00 C ATOM 1279 CD GLU A 81 -8.459 1.640 -3.353 1.00 0.00 C ATOM 1280 OE1 GLU A 81 -7.330 1.396 -3.828 1.00 0.00 O ATOM 1281 OE2 GLU A 81 -9.523 1.442 -3.978 1.00 0.00 O ATOM 0 H GLU A 81 -7.025 0.584 1.379 1.00 0.00 H new ATOM 0 HA GLU A 81 -8.077 -0.198 -1.278 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -7.341 2.435 -0.194 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -6.433 2.036 -1.639 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -9.457 1.848 -1.472 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -8.612 3.290 -1.999 1.00 0.00 H new ATOM 1288 N SER A 82 -5.623 -0.411 -2.216 1.00 0.00 N ATOM 1289 CA SER A 82 -4.337 -0.982 -2.602 1.00 0.00 C ATOM 1290 C SER A 82 -3.558 -0.015 -3.489 1.00 0.00 C ATOM 1291 O SER A 82 -4.137 0.693 -4.311 1.00 0.00 O ATOM 1292 CB SER A 82 -4.543 -2.309 -3.333 1.00 0.00 C ATOM 1293 OG SER A 82 -5.778 -2.903 -2.974 1.00 0.00 O ATOM 0 H SER A 82 -6.216 -0.139 -3.000 1.00 0.00 H new ATOM 0 HA SER A 82 -3.760 -1.161 -1.695 1.00 0.00 H new ATOM 0 HB2 SER A 82 -4.515 -2.143 -4.410 1.00 0.00 H new ATOM 0 HB3 SER A 82 -3.726 -2.990 -3.095 1.00 0.00 H new ATOM 0 HG SER A 82 -5.886 -3.749 -3.456 1.00 0.00 H new ATOM 1299 N TYR A 83 -2.240 0.007 -3.315 1.00 0.00 N ATOM 1300 CA TYR A 83 -1.381 0.887 -4.099 1.00 0.00 C ATOM 1301 C TYR A 83 -0.024 0.237 -4.353 1.00 0.00 C ATOM 1302 O TYR A 83 0.562 -0.371 -3.457 1.00 0.00 O ATOM 1303 CB TYR A 83 -1.192 2.223 -3.379 1.00 0.00 C ATOM 1304 CG TYR A 83 -2.483 2.826 -2.870 1.00 0.00 C ATOM 1305 CD1 TYR A 83 -2.956 2.527 -1.599 1.00 0.00 C ATOM 1306 CD2 TYR A 83 -3.226 3.693 -3.661 1.00 0.00 C ATOM 1307 CE1 TYR A 83 -4.135 3.075 -1.129 1.00 0.00 C ATOM 1308 CE2 TYR A 83 -4.406 4.245 -3.198 1.00 0.00 C ATOM 1309 CZ TYR A 83 -4.856 3.933 -1.933 1.00 0.00 C ATOM 1310 OH TYR A 83 -6.030 4.480 -1.469 1.00 0.00 O ATOM 0 H TYR A 83 -1.744 -0.574 -2.639 1.00 0.00 H new ATOM 0 HA TYR A 83 -1.865 1.065 -5.060 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -0.512 2.080 -2.539 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -0.715 2.928 -4.059 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -2.394 1.855 -0.967 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -2.877 3.940 -4.653 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -4.489 2.833 -0.138 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -4.973 4.918 -3.825 1.00 0.00 H new ATOM 0 HH TYR A 83 -6.414 5.063 -2.157 1.00 0.00 H new ATOM 1320 N VAL A 84 0.470 0.372 -5.579 1.00 0.00 N ATOM 1321 CA VAL A 84 1.756 -0.201 -5.952 1.00 0.00 C ATOM 1322 C VAL A 84 2.890 0.787 -5.697 1.00 0.00 C ATOM 1323 O VAL A 84 2.931 1.865 -6.289 1.00 0.00 O ATOM 1324 CB VAL A 84 1.780 -0.620 -7.435 1.00 0.00 C ATOM 1325 CG1 VAL A 84 3.068 -1.357 -7.764 1.00 0.00 C ATOM 1326 CG2 VAL A 84 0.567 -1.478 -7.767 1.00 0.00 C ATOM 0 H VAL A 84 -0.002 0.874 -6.331 1.00 0.00 H new ATOM 0 HA VAL A 84 1.899 -1.086 -5.332 1.00 0.00 H new ATOM 0 HB VAL A 84 1.739 0.281 -8.047 1.00 0.00 H new ATOM 0 HG11 VAL A 84 3.065 -1.644 -8.816 1.00 0.00 H new ATOM 0 HG12 VAL A 84 3.920 -0.706 -7.568 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.144 -2.251 -7.144 1.00 0.00 H new ATOM 0 HG21 VAL A 84 0.601 -1.764 -8.818 1.00 0.00 H new ATOM 0 HG22 VAL A 84 0.574 -2.374 -7.146 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -0.344 -0.911 -7.575 1.00 0.00 H new ATOM 1336 N CYS A 85 3.807 0.413 -4.812 1.00 0.00 N ATOM 1337 CA CYS A 85 4.941 1.267 -4.477 1.00 0.00 C ATOM 1338 C CYS A 85 5.881 1.417 -5.668 1.00 0.00 C ATOM 1339 O CYS A 85 6.396 0.430 -6.193 1.00 0.00 O ATOM 1340 CB CYS A 85 5.702 0.695 -3.280 1.00 0.00 C ATOM 1341 SG CYS A 85 5.072 1.241 -1.675 1.00 0.00 S ATOM 0 H CYS A 85 3.788 -0.476 -4.313 1.00 0.00 H new ATOM 0 HA CYS A 85 4.556 2.253 -4.216 1.00 0.00 H new ATOM 0 HB2 CYS A 85 5.661 -0.393 -3.323 1.00 0.00 H new ATOM 0 HB3 CYS A 85 6.752 0.978 -3.362 1.00 0.00 H new ATOM 0 HG CYS A 85 6.058 1.675 -0.947 1.00 0.00 H new ATOM 1347 N GLY A 86 6.101 2.658 -6.090 1.00 0.00 N ATOM 1348 CA GLY A 86 6.980 2.915 -7.216 1.00 0.00 C ATOM 1349 C GLY A 86 8.103 3.872 -6.866 1.00 0.00 C ATOM 1350 O GLY A 86 8.438 4.044 -5.695 1.00 0.00 O ATOM 0 H GLY A 86 5.686 3.491 -5.672 1.00 0.00 H new ATOM 0 HA2 GLY A 86 7.404 1.973 -7.565 1.00 0.00 H new ATOM 0 HA3 GLY A 86 6.399 3.327 -8.041 1.00 0.00 H new ATOM 1354 N SER A 87 8.686 4.494 -7.885 1.00 0.00 N ATOM 1355 CA SER A 87 9.779 5.438 -7.677 1.00 0.00 C ATOM 1356 C SER A 87 10.205 6.077 -8.996 1.00 0.00 C ATOM 1357 O SER A 87 9.948 7.256 -9.237 1.00 0.00 O ATOM 1358 CB SER A 87 10.973 4.733 -7.031 1.00 0.00 C ATOM 1359 OG SER A 87 12.061 5.625 -6.862 1.00 0.00 O ATOM 0 H SER A 87 8.421 4.362 -8.861 1.00 0.00 H new ATOM 0 HA SER A 87 9.425 6.224 -7.010 1.00 0.00 H new ATOM 0 HB2 SER A 87 10.679 4.325 -6.064 1.00 0.00 H new ATOM 0 HB3 SER A 87 11.282 3.891 -7.651 1.00 0.00 H new ATOM 0 HG SER A 87 12.811 5.151 -6.446 1.00 0.00 H new ATOM 1365 N ILE A 88 10.859 5.290 -9.844 1.00 0.00 N ATOM 1366 CA ILE A 88 11.322 5.780 -11.137 1.00 0.00 C ATOM 1367 C ILE A 88 10.875 4.860 -12.270 1.00 0.00 C ATOM 1368 O ILE A 88 10.463 5.325 -13.333 1.00 0.00 O ATOM 1369 CB ILE A 88 12.857 5.911 -11.173 1.00 0.00 C ATOM 1370 CG1 ILE A 88 13.518 4.567 -10.864 1.00 0.00 C ATOM 1371 CG2 ILE A 88 13.319 6.973 -10.187 1.00 0.00 C ATOM 1372 CD1 ILE A 88 13.794 3.732 -12.096 1.00 0.00 C ATOM 0 H ILE A 88 11.080 4.312 -9.659 1.00 0.00 H new ATOM 0 HA ILE A 88 10.877 6.765 -11.277 1.00 0.00 H new ATOM 0 HB ILE A 88 13.156 6.216 -12.176 1.00 0.00 H new ATOM 0 HG12 ILE A 88 14.456 4.745 -10.338 1.00 0.00 H new ATOM 0 HG13 ILE A 88 12.876 4.002 -10.188 1.00 0.00 H new ATOM 0 HG21 ILE A 88 14.405 7.055 -10.223 1.00 0.00 H new ATOM 0 HG22 ILE A 88 12.874 7.932 -10.451 1.00 0.00 H new ATOM 0 HG23 ILE A 88 13.009 6.694 -9.180 1.00 0.00 H new ATOM 0 HD11 ILE A 88 14.263 2.793 -11.802 1.00 0.00 H new ATOM 0 HD12 ILE A 88 12.857 3.523 -12.612 1.00 0.00 H new ATOM 0 HD13 ILE A 88 14.461 4.278 -12.763 1.00 0.00 H new ATOM 1384 N GLU A 89 10.960 3.554 -12.037 1.00 0.00 N ATOM 1385 CA GLU A 89 10.565 2.570 -13.039 1.00 0.00 C ATOM 1386 C GLU A 89 9.108 2.767 -13.453 1.00 0.00 C ATOM 1387 O GLU A 89 8.301 3.290 -12.685 1.00 0.00 O ATOM 1388 CB GLU A 89 10.768 1.154 -12.501 1.00 0.00 C ATOM 1389 CG GLU A 89 10.062 0.899 -11.178 1.00 0.00 C ATOM 1390 CD GLU A 89 11.032 0.724 -10.024 1.00 0.00 C ATOM 1391 OE1 GLU A 89 11.973 1.537 -9.912 1.00 0.00 O ATOM 1392 OE2 GLU A 89 10.847 -0.224 -9.232 1.00 0.00 O ATOM 0 H GLU A 89 11.299 3.152 -11.163 1.00 0.00 H new ATOM 0 HA GLU A 89 11.195 2.711 -13.918 1.00 0.00 H new ATOM 0 HB2 GLU A 89 10.407 0.438 -13.240 1.00 0.00 H new ATOM 0 HB3 GLU A 89 11.835 0.972 -12.375 1.00 0.00 H new ATOM 0 HG2 GLU A 89 9.392 1.731 -10.962 1.00 0.00 H new ATOM 0 HG3 GLU A 89 9.443 0.006 -11.267 1.00 0.00 H new ATOM 1399 N PRO A 90 8.752 2.346 -14.679 1.00 0.00 N ATOM 1400 CA PRO A 90 7.385 2.478 -15.194 1.00 0.00 C ATOM 1401 C PRO A 90 6.403 1.560 -14.471 1.00 0.00 C ATOM 1402 O PRO A 90 6.786 0.513 -13.949 1.00 0.00 O ATOM 1403 CB PRO A 90 7.515 2.071 -16.663 1.00 0.00 C ATOM 1404 CG PRO A 90 8.711 1.186 -16.707 1.00 0.00 C ATOM 1405 CD PRO A 90 9.653 1.711 -15.659 1.00 0.00 C ATOM 0 HA PRO A 90 6.992 3.485 -15.052 1.00 0.00 H new ATOM 0 HB2 PRO A 90 6.623 1.549 -17.009 1.00 0.00 H new ATOM 0 HB3 PRO A 90 7.644 2.942 -17.305 1.00 0.00 H new ATOM 0 HG2 PRO A 90 8.438 0.151 -16.503 1.00 0.00 H new ATOM 0 HG3 PRO A 90 9.175 1.205 -17.693 1.00 0.00 H new ATOM 0 HD2 PRO A 90 10.238 0.910 -15.207 1.00 0.00 H new ATOM 0 HD3 PRO A 90 10.361 2.427 -16.077 1.00 0.00 H new ATOM 1413 N PHE A 91 5.137 1.961 -14.445 1.00 0.00 N ATOM 1414 CA PHE A 91 4.100 1.175 -13.788 1.00 0.00 C ATOM 1415 C PHE A 91 3.941 -0.186 -14.458 1.00 0.00 C ATOM 1416 O PHE A 91 3.644 -0.272 -15.649 1.00 0.00 O ATOM 1417 CB PHE A 91 2.768 1.926 -13.812 1.00 0.00 C ATOM 1418 CG PHE A 91 1.668 1.223 -13.070 1.00 0.00 C ATOM 1419 CD1 PHE A 91 1.018 0.135 -13.632 1.00 0.00 C ATOM 1420 CD2 PHE A 91 1.282 1.650 -11.809 1.00 0.00 C ATOM 1421 CE1 PHE A 91 0.006 -0.514 -12.952 1.00 0.00 C ATOM 1422 CE2 PHE A 91 0.270 1.004 -11.123 1.00 0.00 C ATOM 1423 CZ PHE A 91 -0.368 -0.078 -11.696 1.00 0.00 C ATOM 0 H PHE A 91 4.804 2.826 -14.871 1.00 0.00 H new ATOM 0 HA PHE A 91 4.402 1.017 -12.753 1.00 0.00 H new ATOM 0 HB2 PHE A 91 2.911 2.916 -13.380 1.00 0.00 H new ATOM 0 HB3 PHE A 91 2.461 2.071 -14.848 1.00 0.00 H new ATOM 0 HD1 PHE A 91 1.307 -0.209 -14.614 1.00 0.00 H new ATOM 0 HD2 PHE A 91 1.777 2.497 -11.357 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -0.492 -1.361 -13.401 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -0.021 1.345 -10.141 1.00 0.00 H new ATOM 0 HZ PHE A 91 -1.159 -0.583 -11.162 1.00 0.00 H new ATOM 1433 N LYS A 92 4.141 -1.248 -13.684 1.00 0.00 N ATOM 1434 CA LYS A 92 4.020 -2.606 -14.203 1.00 0.00 C ATOM 1435 C LYS A 92 2.687 -3.224 -13.799 1.00 0.00 C ATOM 1436 O LYS A 92 2.327 -3.235 -12.622 1.00 0.00 O ATOM 1437 CB LYS A 92 5.173 -3.473 -13.693 1.00 0.00 C ATOM 1438 CG LYS A 92 6.539 -3.017 -14.180 1.00 0.00 C ATOM 1439 CD LYS A 92 7.654 -3.580 -13.314 1.00 0.00 C ATOM 1440 CE LYS A 92 8.905 -3.867 -14.131 1.00 0.00 C ATOM 1441 NZ LYS A 92 9.434 -5.235 -13.874 1.00 0.00 N ATOM 0 H LYS A 92 4.387 -1.195 -12.696 1.00 0.00 H new ATOM 0 HA LYS A 92 4.064 -2.559 -15.291 1.00 0.00 H new ATOM 0 HB2 LYS A 92 5.165 -3.469 -12.603 1.00 0.00 H new ATOM 0 HB3 LYS A 92 5.009 -4.503 -14.009 1.00 0.00 H new ATOM 0 HG2 LYS A 92 6.683 -3.334 -15.213 1.00 0.00 H new ATOM 0 HG3 LYS A 92 6.585 -1.928 -14.172 1.00 0.00 H new ATOM 0 HD2 LYS A 92 7.892 -2.872 -12.520 1.00 0.00 H new ATOM 0 HD3 LYS A 92 7.314 -4.497 -12.833 1.00 0.00 H new ATOM 0 HE2 LYS A 92 8.679 -3.759 -15.192 1.00 0.00 H new ATOM 0 HE3 LYS A 92 9.672 -3.130 -13.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 10.286 -5.391 -14.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 9.674 -5.331 -12.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 8.712 -5.940 -14.126 1.00 0.00 H new ATOM 1455 N LYS A 93 1.957 -3.740 -14.783 1.00 0.00 N ATOM 1456 CA LYS A 93 0.662 -4.362 -14.528 1.00 0.00 C ATOM 1457 C LYS A 93 0.834 -5.796 -14.038 1.00 0.00 C ATOM 1458 O LYS A 93 1.187 -6.688 -14.810 1.00 0.00 O ATOM 1459 CB LYS A 93 -0.195 -4.343 -15.797 1.00 0.00 C ATOM 1460 CG LYS A 93 -1.677 -4.556 -15.530 1.00 0.00 C ATOM 1461 CD LYS A 93 -2.025 -6.035 -15.454 1.00 0.00 C ATOM 1462 CE LYS A 93 -2.924 -6.458 -16.605 1.00 0.00 C ATOM 1463 NZ LYS A 93 -3.363 -7.876 -16.475 1.00 0.00 N ATOM 0 H LYS A 93 2.240 -3.740 -15.763 1.00 0.00 H new ATOM 0 HA LYS A 93 0.159 -3.789 -13.749 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -0.059 -3.388 -16.304 1.00 0.00 H new ATOM 0 HB3 LYS A 93 0.159 -5.118 -16.477 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -1.953 -4.068 -14.595 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -2.261 -4.084 -16.320 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -1.109 -6.626 -15.470 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -2.523 -6.244 -14.507 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -3.799 -5.809 -16.640 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -2.393 -6.327 -17.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -4.320 -7.980 -16.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -2.706 -8.492 -16.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -3.369 -8.147 -15.471 1.00 0.00 H new ATOM 1477 N LEU A 94 0.582 -6.009 -12.752 1.00 0.00 N ATOM 1478 CA LEU A 94 0.708 -7.335 -12.159 1.00 0.00 C ATOM 1479 C LEU A 94 -0.423 -7.597 -11.171 1.00 0.00 C ATOM 1480 O LEU A 94 -0.761 -6.737 -10.356 1.00 0.00 O ATOM 1481 CB LEU A 94 2.059 -7.476 -11.455 1.00 0.00 C ATOM 1482 CG LEU A 94 3.270 -7.053 -12.288 1.00 0.00 C ATOM 1483 CD1 LEU A 94 4.534 -7.083 -11.443 1.00 0.00 C ATOM 1484 CD2 LEU A 94 3.419 -7.954 -13.505 1.00 0.00 C ATOM 0 H LEU A 94 0.289 -5.281 -12.100 1.00 0.00 H new ATOM 0 HA LEU A 94 0.646 -8.072 -12.960 1.00 0.00 H new ATOM 0 HB2 LEU A 94 2.040 -6.881 -10.542 1.00 0.00 H new ATOM 0 HB3 LEU A 94 2.189 -8.516 -11.155 1.00 0.00 H new ATOM 0 HG LEU A 94 3.112 -6.031 -12.633 1.00 0.00 H new ATOM 0 HD11 LEU A 94 5.386 -6.779 -12.052 1.00 0.00 H new ATOM 0 HD12 LEU A 94 4.426 -6.398 -10.602 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.698 -8.094 -11.069 1.00 0.00 H new ATOM 0 HD21 LEU A 94 4.285 -7.639 -14.087 1.00 0.00 H new ATOM 0 HD22 LEU A 94 3.556 -8.985 -13.180 1.00 0.00 H new ATOM 0 HD23 LEU A 94 2.523 -7.884 -14.122 1.00 0.00 H new ATOM 1496 N GLU A 95 -1.005 -8.788 -11.247 1.00 0.00 N ATOM 1497 CA GLU A 95 -2.100 -9.163 -10.361 1.00 0.00 C ATOM 1498 C GLU A 95 -1.572 -9.624 -9.006 1.00 0.00 C ATOM 1499 O GLU A 95 -1.242 -10.796 -8.823 1.00 0.00 O ATOM 1500 CB GLU A 95 -2.939 -10.272 -10.997 1.00 0.00 C ATOM 1501 CG GLU A 95 -3.935 -9.767 -12.027 1.00 0.00 C ATOM 1502 CD GLU A 95 -3.585 -10.196 -13.439 1.00 0.00 C ATOM 1503 OE1 GLU A 95 -3.536 -11.418 -13.693 1.00 0.00 O ATOM 1504 OE2 GLU A 95 -3.359 -9.311 -14.290 1.00 0.00 O ATOM 0 H GLU A 95 -0.736 -9.511 -11.914 1.00 0.00 H new ATOM 0 HA GLU A 95 -2.726 -8.284 -10.206 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -2.273 -10.993 -11.471 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -3.478 -10.803 -10.213 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -4.930 -10.135 -11.776 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -3.977 -8.679 -11.982 1.00 0.00 H new ATOM 1511 N TYR A 96 -1.494 -8.694 -8.059 1.00 0.00 N ATOM 1512 CA TYR A 96 -1.008 -9.007 -6.719 1.00 0.00 C ATOM 1513 C TYR A 96 -2.126 -9.579 -5.852 1.00 0.00 C ATOM 1514 O TYR A 96 -1.978 -10.642 -5.250 1.00 0.00 O ATOM 1515 CB TYR A 96 -0.429 -7.755 -6.058 1.00 0.00 C ATOM 1516 CG TYR A 96 0.636 -7.067 -6.881 1.00 0.00 C ATOM 1517 CD1 TYR A 96 0.301 -6.088 -7.808 1.00 0.00 C ATOM 1518 CD2 TYR A 96 1.978 -7.394 -6.728 1.00 0.00 C ATOM 1519 CE1 TYR A 96 1.273 -5.456 -8.560 1.00 0.00 C ATOM 1520 CE2 TYR A 96 2.956 -6.766 -7.477 1.00 0.00 C ATOM 1521 CZ TYR A 96 2.597 -5.799 -8.391 1.00 0.00 C ATOM 1522 OH TYR A 96 3.567 -5.171 -9.139 1.00 0.00 O ATOM 0 H TYR A 96 -1.761 -7.719 -8.194 1.00 0.00 H new ATOM 0 HA TYR A 96 -0.224 -9.758 -6.813 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -1.238 -7.050 -5.865 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -0.007 -8.028 -5.091 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -0.736 -5.817 -7.943 1.00 0.00 H new ATOM 0 HD2 TYR A 96 2.262 -8.151 -6.012 1.00 0.00 H new ATOM 0 HE1 TYR A 96 0.996 -4.697 -9.277 1.00 0.00 H new ATOM 0 HE2 TYR A 96 3.995 -7.032 -7.347 1.00 0.00 H new ATOM 0 HH TYR A 96 4.278 -4.848 -8.547 1.00 0.00 H new ATOM 1532 N THR A 97 -3.243 -8.861 -5.792 1.00 0.00 N ATOM 1533 CA THR A 97 -4.389 -9.290 -4.996 1.00 0.00 C ATOM 1534 C THR A 97 -4.867 -10.680 -5.410 1.00 0.00 C ATOM 1535 O THR A 97 -5.512 -11.380 -4.629 1.00 0.00 O ATOM 1536 CB THR A 97 -5.534 -8.285 -5.134 1.00 0.00 C ATOM 1537 OG1 THR A 97 -6.741 -8.826 -4.627 1.00 0.00 O ATOM 1538 CG2 THR A 97 -5.788 -7.860 -6.565 1.00 0.00 C ATOM 0 H THR A 97 -3.380 -7.979 -6.285 1.00 0.00 H new ATOM 0 HA THR A 97 -4.071 -9.337 -3.954 1.00 0.00 H new ATOM 0 HB THR A 97 -5.221 -7.412 -4.562 1.00 0.00 H new ATOM 0 HG1 THR A 97 -7.460 -8.167 -4.723 1.00 0.00 H new ATOM 0 HG21 THR A 97 -6.612 -7.147 -6.592 1.00 0.00 H new ATOM 0 HG22 THR A 97 -4.891 -7.393 -6.971 1.00 0.00 H new ATOM 0 HG23 THR A 97 -6.044 -8.734 -7.164 1.00 0.00 H new ATOM 1546 N LYS A 98 -4.552 -11.075 -6.641 1.00 0.00 N ATOM 1547 CA LYS A 98 -4.955 -12.382 -7.150 1.00 0.00 C ATOM 1548 C LYS A 98 -4.506 -13.501 -6.214 1.00 0.00 C ATOM 1549 O LYS A 98 -5.168 -14.531 -6.099 1.00 0.00 O ATOM 1550 CB LYS A 98 -4.379 -12.608 -8.550 1.00 0.00 C ATOM 1551 CG LYS A 98 -5.361 -12.301 -9.668 1.00 0.00 C ATOM 1552 CD LYS A 98 -4.916 -12.916 -10.985 1.00 0.00 C ATOM 1553 CE LYS A 98 -5.598 -14.251 -11.233 1.00 0.00 C ATOM 1554 NZ LYS A 98 -6.945 -14.082 -11.846 1.00 0.00 N ATOM 0 H LYS A 98 -4.020 -10.510 -7.303 1.00 0.00 H new ATOM 0 HA LYS A 98 -6.044 -12.399 -7.204 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -3.493 -11.985 -8.674 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -4.054 -13.645 -8.637 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -6.347 -12.682 -9.402 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -5.457 -11.221 -9.783 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -5.144 -12.232 -11.803 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -3.835 -13.054 -10.977 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -4.975 -14.861 -11.888 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -5.693 -14.790 -10.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -7.376 -15.016 -11.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -7.548 -13.522 -11.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -6.852 -13.590 -12.758 1.00 0.00 H new ATOM 1568 N ASN A 99 -3.375 -13.289 -5.546 1.00 0.00 N ATOM 1569 CA ASN A 99 -2.841 -14.280 -4.620 1.00 0.00 C ATOM 1570 C ASN A 99 -3.214 -13.941 -3.179 1.00 0.00 C ATOM 1571 O ASN A 99 -2.519 -14.327 -2.241 1.00 0.00 O ATOM 1572 CB ASN A 99 -1.319 -14.368 -4.756 1.00 0.00 C ATOM 1573 CG ASN A 99 -0.888 -14.791 -6.147 1.00 0.00 C ATOM 1574 OD1 ASN A 99 -0.944 -15.971 -6.495 1.00 0.00 O ATOM 1575 ND2 ASN A 99 -0.452 -13.828 -6.950 1.00 0.00 N ATOM 0 H ASN A 99 -2.813 -12.442 -5.629 1.00 0.00 H new ATOM 0 HA ASN A 99 -3.280 -15.246 -4.871 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -0.879 -13.399 -4.521 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -0.932 -15.079 -4.026 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -0.147 -14.053 -7.897 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -0.423 -12.863 -6.620 1.00 0.00 H new ATOM 1582 N VAL A 100 -4.318 -13.218 -3.011 1.00 0.00 N ATOM 1583 CA VAL A 100 -4.785 -12.829 -1.686 1.00 0.00 C ATOM 1584 C VAL A 100 -6.293 -12.602 -1.683 1.00 0.00 C ATOM 1585 O VAL A 100 -6.858 -12.109 -2.659 1.00 0.00 O ATOM 1586 CB VAL A 100 -4.084 -11.548 -1.194 1.00 0.00 C ATOM 1587 CG1 VAL A 100 -4.446 -11.264 0.256 1.00 0.00 C ATOM 1588 CG2 VAL A 100 -2.576 -11.665 -1.361 1.00 0.00 C ATOM 0 H VAL A 100 -4.906 -12.890 -3.778 1.00 0.00 H new ATOM 0 HA VAL A 100 -4.540 -13.649 -1.011 1.00 0.00 H new ATOM 0 HB VAL A 100 -4.430 -10.712 -1.802 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -3.942 -10.356 0.586 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -5.525 -11.132 0.343 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -4.132 -12.101 0.880 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -2.099 -10.751 -1.008 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -2.210 -12.512 -0.781 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -2.337 -11.816 -2.414 1.00 0.00 H new ATOM 1598 N ASN A 101 -6.940 -12.964 -0.580 1.00 0.00 N ATOM 1599 CA ASN A 101 -8.383 -12.799 -0.453 1.00 0.00 C ATOM 1600 C ASN A 101 -8.731 -11.379 -0.007 1.00 0.00 C ATOM 1601 O ASN A 101 -8.137 -10.856 0.936 1.00 0.00 O ATOM 1602 CB ASN A 101 -8.947 -13.812 0.545 1.00 0.00 C ATOM 1603 CG ASN A 101 -10.310 -14.333 0.132 1.00 0.00 C ATOM 1604 OD1 ASN A 101 -10.502 -14.767 -1.003 1.00 0.00 O ATOM 1605 ND2 ASN A 101 -11.263 -14.292 1.056 1.00 0.00 N ATOM 0 H ASN A 101 -6.488 -13.373 0.238 1.00 0.00 H new ATOM 0 HA ASN A 101 -8.832 -12.974 -1.431 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -8.255 -14.649 0.640 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -9.021 -13.347 1.528 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -12.200 -14.629 0.837 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -11.058 -13.923 1.985 1.00 0.00 H new ATOM 1612 N PRO A 102 -9.702 -10.733 -0.680 1.00 0.00 N ATOM 1613 CA PRO A 102 -10.120 -9.369 -0.342 1.00 0.00 C ATOM 1614 C PRO A 102 -10.969 -9.321 0.925 1.00 0.00 C ATOM 1615 O PRO A 102 -12.123 -8.893 0.895 1.00 0.00 O ATOM 1616 CB PRO A 102 -10.945 -8.948 -1.557 1.00 0.00 C ATOM 1617 CG PRO A 102 -11.504 -10.220 -2.090 1.00 0.00 C ATOM 1618 CD PRO A 102 -10.467 -11.278 -1.819 1.00 0.00 C ATOM 0 HA PRO A 102 -9.271 -8.717 -0.137 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -11.737 -8.253 -1.277 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -10.327 -8.444 -2.300 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -12.448 -10.465 -1.603 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -11.708 -10.139 -3.158 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -10.926 -12.235 -1.572 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -9.829 -11.445 -2.687 1.00 0.00 H new ATOM 1626 N ASN A 103 -10.388 -9.761 2.037 1.00 0.00 N ATOM 1627 CA ASN A 103 -11.092 -9.767 3.315 1.00 0.00 C ATOM 1628 C ASN A 103 -10.164 -9.346 4.449 1.00 0.00 C ATOM 1629 O ASN A 103 -10.233 -9.883 5.554 1.00 0.00 O ATOM 1630 CB ASN A 103 -11.666 -11.156 3.598 1.00 0.00 C ATOM 1631 CG ASN A 103 -12.863 -11.109 4.527 1.00 0.00 C ATOM 1632 OD1 ASN A 103 -13.976 -10.790 4.107 1.00 0.00 O ATOM 1633 ND2 ASN A 103 -12.640 -11.425 5.797 1.00 0.00 N ATOM 0 H ASN A 103 -9.433 -10.117 2.079 1.00 0.00 H new ATOM 0 HA ASN A 103 -11.910 -9.049 3.254 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -11.958 -11.624 2.658 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -10.891 -11.783 4.039 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -13.407 -11.409 6.469 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -11.701 -11.683 6.101 1.00 0.00 H new ATOM 1640 N TRP A 104 -9.297 -8.378 4.168 1.00 0.00 N ATOM 1641 CA TRP A 104 -8.356 -7.883 5.166 1.00 0.00 C ATOM 1642 C TRP A 104 -8.790 -6.520 5.695 1.00 0.00 C ATOM 1643 O TRP A 104 -8.518 -6.175 6.846 1.00 0.00 O ATOM 1644 CB TRP A 104 -6.950 -7.788 4.569 1.00 0.00 C ATOM 1645 CG TRP A 104 -6.895 -6.999 3.296 1.00 0.00 C ATOM 1646 CD1 TRP A 104 -7.192 -7.446 2.041 1.00 0.00 C ATOM 1647 CD2 TRP A 104 -6.518 -5.624 3.154 1.00 0.00 C ATOM 1648 NE1 TRP A 104 -7.024 -6.434 1.128 1.00 0.00 N ATOM 1649 CE2 TRP A 104 -6.610 -5.306 1.787 1.00 0.00 C ATOM 1650 CE3 TRP A 104 -6.112 -4.632 4.051 1.00 0.00 C ATOM 1651 CZ2 TRP A 104 -6.312 -4.037 1.295 1.00 0.00 C ATOM 1652 CZ3 TRP A 104 -5.815 -3.374 3.562 1.00 0.00 C ATOM 1653 CH2 TRP A 104 -5.917 -3.086 2.196 1.00 0.00 C ATOM 0 H TRP A 104 -9.227 -7.922 3.259 1.00 0.00 H new ATOM 0 HA TRP A 104 -8.343 -8.587 5.998 1.00 0.00 H new ATOM 0 HB2 TRP A 104 -6.283 -7.331 5.300 1.00 0.00 H new ATOM 0 HB3 TRP A 104 -6.575 -8.794 4.381 1.00 0.00 H new ATOM 0 HD1 TRP A 104 -7.512 -8.449 1.801 1.00 0.00 H new ATOM 0 HE1 TRP A 104 -7.182 -6.510 0.123 1.00 0.00 H new ATOM 0 HE3 TRP A 104 -6.032 -4.845 5.107 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 -6.390 -3.812 0.242 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 -5.499 -2.600 4.245 1.00 0.00 H new ATOM 0 HH2 TRP A 104 -5.679 -2.092 1.846 1.00 0.00 H new ATOM 1664 N SER A 105 -9.469 -5.750 4.851 1.00 0.00 N ATOM 1665 CA SER A 105 -9.943 -4.426 5.235 1.00 0.00 C ATOM 1666 C SER A 105 -11.459 -4.328 5.094 1.00 0.00 C ATOM 1667 O SER A 105 -11.999 -3.258 4.812 1.00 0.00 O ATOM 1668 CB SER A 105 -9.270 -3.351 4.379 1.00 0.00 C ATOM 1669 OG SER A 105 -9.759 -2.061 4.703 1.00 0.00 O ATOM 0 H SER A 105 -9.703 -6.021 3.896 1.00 0.00 H new ATOM 0 HA SER A 105 -9.682 -4.264 6.281 1.00 0.00 H new ATOM 0 HB2 SER A 105 -8.191 -3.383 4.531 1.00 0.00 H new ATOM 0 HB3 SER A 105 -9.449 -3.557 3.324 1.00 0.00 H new ATOM 0 HG SER A 105 -10.734 -2.047 4.607 1.00 0.00 H new