USER MOD reduce.3.24.130724 H: found=0, std=0, add=933, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 932 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 90 TYR OH : rot 60:sc= -1.41 USER MOD Set 1.2: A 95 GLN : amide:sc= -0.824 K(o=-7.4,f=-8.9!) USER MOD Set 1.3: A 125 THR OG1 : rot -57:sc= -5.14! USER MOD Set 2.1: A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 2.2: A 92 LYS NZ :NH3+ 173:sc= 0 (180deg=0) USER MOD Set 3.1: A 56 CYS SG : rot 175:sc= -0.759 USER MOD Set 3.2: A 58 CYS SG : rot 104:sc= 0.0179 USER MOD Set 3.3: A 116 CYS SG : rot -104:sc= -0.0531 USER MOD Set 3.4: A 118 HIS : no HD1:sc= -0.122 K(o=-0.92,f=-2.2) USER MOD Set 4.1: A 30 ASN : amide:sc= -0.535 X(o=-0.042,f=0.12!) USER MOD Set 4.2: A 44 THR OG1 : rot 7:sc= 0.493 USER MOD Single : A 11 TYR OH : rot 151:sc= -0.238 USER MOD Single : A 14 ASN : amide:sc= -0.989 K(o=-0.99,f=-4.1!) USER MOD Single : A 15 TYR OH : rot 180:sc= -0.0959 USER MOD Single : A 16 LYS NZ :NH3+ 140:sc= 0.129 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= -0.889 K(o=-0.89,f=-3.3!) USER MOD Single : A 21 HIS : no HD1:sc= -0.287 K(o=-0.29,f=-1.2) USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.224 USER MOD Single : A 25 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 29 GLN : amide:sc= -0.446 X(o=-0.45,f=-0.34) USER MOD Single : A 31 CYS SG : rot 46:sc= -2.04 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -0.124 X(o=-0.12,f=-0.6) USER MOD Single : A 43 SER OG : rot 180:sc= -0.054 USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.216 USER MOD Single : A 46 THR OG1 : rot -61:sc= 0.882 USER MOD Single : A 48 HIS : no HD1:sc= -0.546 X(o=-0.55,f=-0.15) USER MOD Single : A 50 CYS SG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -0.0122 X(o=-0.012,f=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 12:sc= 0.654! USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 HIS : no HD1:sc= -0.343 K(o=-0.34,f=-1.1) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot -84:sc= 0.0752 USER MOD Single : A 94 TYR OH : rot -72:sc= 0.747 USER MOD Single : A 96 SER OG : rot 180:sc= -0.0135 USER MOD Single : A 97 HIS : no HD1:sc= -0.263 X(o=-0.26,f=-0.0025) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 126 MET CE :methyl -133:sc= -2.34 (180deg=-5.95!) USER MOD ----------------------------------------------------------------- ATOM 105 N ALA A 9 4.827 -0.983 5.501 1.00 0.00 N ATOM 106 CA ALA A 9 4.700 -2.297 4.882 1.00 0.00 C ATOM 107 C ALA A 9 3.483 -3.043 5.421 1.00 0.00 C ATOM 108 O ALA A 9 3.185 -2.985 6.613 1.00 0.00 O ATOM 109 CB ALA A 9 5.964 -3.112 5.110 1.00 0.00 C ATOM 0 HA ALA A 9 4.561 -2.154 3.810 1.00 0.00 H new ATOM 0 HB1 ALA A 9 5.855 -4.091 4.643 1.00 0.00 H new ATOM 0 HB2 ALA A 9 6.816 -2.593 4.671 1.00 0.00 H new ATOM 0 HB3 ALA A 9 6.128 -3.237 6.180 1.00 0.00 H new ATOM 115 N VAL A 10 2.784 -3.741 4.532 1.00 0.00 N ATOM 116 CA VAL A 10 1.599 -4.499 4.915 1.00 0.00 C ATOM 117 C VAL A 10 1.870 -6.000 4.870 1.00 0.00 C ATOM 118 O VAL A 10 2.062 -6.570 3.795 1.00 0.00 O ATOM 119 CB VAL A 10 0.408 -4.179 3.991 1.00 0.00 C ATOM 120 CG1 VAL A 10 -0.861 -4.849 4.500 1.00 0.00 C ATOM 121 CG2 VAL A 10 0.216 -2.673 3.866 1.00 0.00 C ATOM 0 H VAL A 10 3.018 -3.797 3.541 1.00 0.00 H new ATOM 0 HA VAL A 10 1.350 -4.206 5.935 1.00 0.00 H new ATOM 0 HB VAL A 10 0.625 -4.576 2.999 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.690 -4.611 3.834 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -0.716 -5.929 4.528 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -1.086 -4.487 5.503 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.630 -2.467 3.210 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.023 -2.248 4.851 1.00 0.00 H new ATOM 0 HG23 VAL A 10 1.117 -2.225 3.448 1.00 0.00 H new ATOM 131 N TYR A 11 1.883 -6.638 6.037 1.00 0.00 N ATOM 132 CA TYR A 11 2.128 -8.075 6.114 1.00 0.00 C ATOM 133 C TYR A 11 0.915 -8.804 6.690 1.00 0.00 C ATOM 134 O TYR A 11 0.442 -8.481 7.780 1.00 0.00 O ATOM 135 CB TYR A 11 3.387 -8.362 6.945 1.00 0.00 C ATOM 136 CG TYR A 11 3.145 -8.478 8.435 1.00 0.00 C ATOM 137 CD1 TYR A 11 2.664 -7.402 9.170 1.00 0.00 C ATOM 138 CD2 TYR A 11 3.403 -9.668 9.105 1.00 0.00 C ATOM 139 CE1 TYR A 11 2.446 -7.509 10.531 1.00 0.00 C ATOM 140 CE2 TYR A 11 3.189 -9.782 10.465 1.00 0.00 C ATOM 141 CZ TYR A 11 2.710 -8.700 11.173 1.00 0.00 C ATOM 142 OH TYR A 11 2.495 -8.810 12.528 1.00 0.00 O ATOM 0 H TYR A 11 1.728 -6.186 6.938 1.00 0.00 H new ATOM 0 HA TYR A 11 2.294 -8.449 5.104 1.00 0.00 H new ATOM 0 HB2 TYR A 11 3.837 -9.289 6.590 1.00 0.00 H new ATOM 0 HB3 TYR A 11 4.112 -7.567 6.769 1.00 0.00 H new ATOM 0 HD1 TYR A 11 2.457 -6.467 8.670 1.00 0.00 H new ATOM 0 HD2 TYR A 11 3.777 -10.518 8.553 1.00 0.00 H new ATOM 0 HE1 TYR A 11 2.071 -6.664 11.089 1.00 0.00 H new ATOM 0 HE2 TYR A 11 3.396 -10.713 10.971 1.00 0.00 H new ATOM 0 HH TYR A 11 2.267 -9.737 12.749 1.00 0.00 H new ATOM 152 N VAL A 12 0.408 -9.778 5.939 1.00 0.00 N ATOM 153 CA VAL A 12 -0.759 -10.544 6.357 1.00 0.00 C ATOM 154 C VAL A 12 -0.438 -12.032 6.497 1.00 0.00 C ATOM 155 O VAL A 12 0.296 -12.601 5.688 1.00 0.00 O ATOM 156 CB VAL A 12 -1.917 -10.354 5.353 1.00 0.00 C ATOM 157 CG1 VAL A 12 -3.080 -11.286 5.654 1.00 0.00 C ATOM 158 CG2 VAL A 12 -2.379 -8.905 5.351 1.00 0.00 C ATOM 0 H VAL A 12 0.790 -10.055 5.035 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.061 -10.168 7.335 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.543 -10.608 4.361 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -3.875 -11.123 4.926 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.742 -12.321 5.596 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -3.458 -11.084 6.656 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -3.196 -8.784 4.639 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -2.724 -8.632 6.348 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -1.549 -8.259 5.064 1.00 0.00 H new ATOM 168 N GLY A 13 -1.008 -12.657 7.527 1.00 0.00 N ATOM 169 CA GLY A 13 -0.792 -14.077 7.765 1.00 0.00 C ATOM 170 C GLY A 13 0.661 -14.492 7.640 1.00 0.00 C ATOM 171 O GLY A 13 1.546 -13.874 8.233 1.00 0.00 O ATOM 0 H GLY A 13 -1.619 -12.202 8.205 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -1.150 -14.330 8.763 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -1.389 -14.652 7.057 1.00 0.00 H new ATOM 175 N ASN A 14 0.908 -15.544 6.862 1.00 0.00 N ATOM 176 CA ASN A 14 2.262 -16.045 6.655 1.00 0.00 C ATOM 177 C ASN A 14 2.928 -15.362 5.463 1.00 0.00 C ATOM 178 O ASN A 14 3.913 -15.862 4.923 1.00 0.00 O ATOM 179 CB ASN A 14 2.238 -17.560 6.440 1.00 0.00 C ATOM 180 CG ASN A 14 1.400 -17.962 5.243 1.00 0.00 C ATOM 181 OD1 ASN A 14 1.459 -17.330 4.188 1.00 0.00 O ATOM 182 ND2 ASN A 14 0.610 -19.019 5.400 1.00 0.00 N ATOM 0 H ASN A 14 0.186 -16.065 6.365 1.00 0.00 H new ATOM 0 HA ASN A 14 2.844 -15.817 7.548 1.00 0.00 H new ATOM 0 HB2 ASN A 14 3.257 -17.921 6.304 1.00 0.00 H new ATOM 0 HB3 ASN A 14 1.845 -18.045 7.334 1.00 0.00 H new ATOM 0 HD21 ASN A 14 0.022 -19.335 4.629 1.00 0.00 H new ATOM 0 HD22 ASN A 14 0.592 -19.514 6.292 1.00 0.00 H new ATOM 189 N TYR A 15 2.389 -14.212 5.066 1.00 0.00 N ATOM 190 CA TYR A 15 2.929 -13.447 3.948 1.00 0.00 C ATOM 191 C TYR A 15 3.178 -12.006 4.376 1.00 0.00 C ATOM 192 O TYR A 15 2.449 -11.465 5.207 1.00 0.00 O ATOM 193 CB TYR A 15 1.950 -13.452 2.772 1.00 0.00 C ATOM 194 CG TYR A 15 1.922 -14.736 1.974 1.00 0.00 C ATOM 195 CD1 TYR A 15 3.044 -15.548 1.858 1.00 0.00 C ATOM 196 CD2 TYR A 15 0.758 -15.134 1.331 1.00 0.00 C ATOM 197 CE1 TYR A 15 3.003 -16.717 1.126 1.00 0.00 C ATOM 198 CE2 TYR A 15 0.710 -16.303 0.600 1.00 0.00 C ATOM 199 CZ TYR A 15 1.834 -17.091 0.500 1.00 0.00 C ATOM 200 OH TYR A 15 1.790 -18.257 -0.230 1.00 0.00 O ATOM 0 H TYR A 15 1.573 -13.788 5.507 1.00 0.00 H new ATOM 0 HA TYR A 15 3.866 -13.910 3.639 1.00 0.00 H new ATOM 0 HB2 TYR A 15 0.947 -13.255 3.152 1.00 0.00 H new ATOM 0 HB3 TYR A 15 2.204 -12.630 2.102 1.00 0.00 H new ATOM 0 HD1 TYR A 15 3.962 -15.260 2.348 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -0.126 -14.518 1.404 1.00 0.00 H new ATOM 0 HE1 TYR A 15 3.884 -17.336 1.044 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -0.205 -16.598 0.109 1.00 0.00 H new ATOM 0 HH TYR A 15 0.892 -18.374 -0.606 1.00 0.00 H new ATOM 210 N LYS A 16 4.196 -11.383 3.804 1.00 0.00 N ATOM 211 CA LYS A 16 4.515 -9.999 4.131 1.00 0.00 C ATOM 212 C LYS A 16 4.744 -9.186 2.864 1.00 0.00 C ATOM 213 O LYS A 16 5.701 -9.432 2.128 1.00 0.00 O ATOM 214 CB LYS A 16 5.756 -9.935 5.024 1.00 0.00 C ATOM 215 CG LYS A 16 6.114 -8.525 5.469 1.00 0.00 C ATOM 216 CD LYS A 16 7.529 -8.151 5.057 1.00 0.00 C ATOM 217 CE LYS A 16 7.922 -6.784 5.595 1.00 0.00 C ATOM 218 NZ LYS A 16 9.378 -6.519 5.427 1.00 0.00 N ATOM 0 H LYS A 16 4.814 -11.810 3.114 1.00 0.00 H new ATOM 0 HA LYS A 16 3.669 -9.573 4.670 1.00 0.00 H new ATOM 0 HB2 LYS A 16 5.591 -10.554 5.906 1.00 0.00 H new ATOM 0 HB3 LYS A 16 6.602 -10.363 4.487 1.00 0.00 H new ATOM 0 HG2 LYS A 16 5.409 -7.816 5.036 1.00 0.00 H new ATOM 0 HG3 LYS A 16 6.018 -8.449 6.552 1.00 0.00 H new ATOM 0 HD2 LYS A 16 8.227 -8.903 5.425 1.00 0.00 H new ATOM 0 HD3 LYS A 16 7.605 -8.151 3.970 1.00 0.00 H new ATOM 0 HE2 LYS A 16 7.351 -6.013 5.079 1.00 0.00 H new ATOM 0 HE3 LYS A 16 7.661 -6.721 6.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 9.520 -5.529 5.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 9.869 -6.695 6.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 9.763 -7.148 4.694 1.00 0.00 H new ATOM 232 N VAL A 17 3.873 -8.211 2.607 1.00 0.00 N ATOM 233 CA VAL A 17 4.019 -7.379 1.418 1.00 0.00 C ATOM 234 C VAL A 17 4.632 -6.028 1.775 1.00 0.00 C ATOM 235 O VAL A 17 4.091 -5.278 2.588 1.00 0.00 O ATOM 236 CB VAL A 17 2.674 -7.184 0.657 1.00 0.00 C ATOM 237 CG1 VAL A 17 1.607 -8.154 1.150 1.00 0.00 C ATOM 238 CG2 VAL A 17 2.160 -5.751 0.751 1.00 0.00 C ATOM 0 H VAL A 17 3.072 -7.982 3.196 1.00 0.00 H new ATOM 0 HA VAL A 17 4.694 -7.908 0.745 1.00 0.00 H new ATOM 0 HB VAL A 17 2.882 -7.397 -0.391 1.00 0.00 H new ATOM 0 HG11 VAL A 17 0.682 -7.989 0.597 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.946 -9.178 0.994 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.429 -7.989 2.213 1.00 0.00 H new ATOM 0 HG21 VAL A 17 1.220 -5.665 0.205 1.00 0.00 H new ATOM 0 HG22 VAL A 17 1.997 -5.491 1.797 1.00 0.00 H new ATOM 0 HG23 VAL A 17 2.895 -5.072 0.318 1.00 0.00 H new ATOM 248 N VAL A 18 5.769 -5.735 1.158 1.00 0.00 N ATOM 249 CA VAL A 18 6.475 -4.480 1.394 1.00 0.00 C ATOM 250 C VAL A 18 6.983 -3.874 0.086 1.00 0.00 C ATOM 251 O VAL A 18 7.108 -4.571 -0.921 1.00 0.00 O ATOM 252 CB VAL A 18 7.659 -4.675 2.362 1.00 0.00 C ATOM 253 CG1 VAL A 18 8.732 -5.553 1.737 1.00 0.00 C ATOM 254 CG2 VAL A 18 8.237 -3.331 2.779 1.00 0.00 C ATOM 0 H VAL A 18 6.225 -6.352 0.486 1.00 0.00 H new ATOM 0 HA VAL A 18 5.759 -3.794 1.847 1.00 0.00 H new ATOM 0 HB VAL A 18 7.289 -5.180 3.254 1.00 0.00 H new ATOM 0 HG11 VAL A 18 9.556 -5.676 2.439 1.00 0.00 H new ATOM 0 HG12 VAL A 18 8.310 -6.529 1.499 1.00 0.00 H new ATOM 0 HG13 VAL A 18 9.100 -5.084 0.824 1.00 0.00 H new ATOM 0 HG21 VAL A 18 9.071 -3.490 3.462 1.00 0.00 H new ATOM 0 HG22 VAL A 18 8.587 -2.796 1.896 1.00 0.00 H new ATOM 0 HG23 VAL A 18 7.467 -2.743 3.278 1.00 0.00 H new ATOM 264 N ASN A 19 7.293 -2.582 0.115 1.00 0.00 N ATOM 265 CA ASN A 19 7.812 -1.897 -1.063 1.00 0.00 C ATOM 266 C ASN A 19 9.140 -2.521 -1.489 1.00 0.00 C ATOM 267 O ASN A 19 9.953 -2.900 -0.645 1.00 0.00 O ATOM 268 CB ASN A 19 7.998 -0.405 -0.775 1.00 0.00 C ATOM 269 CG ASN A 19 6.987 0.455 -1.509 1.00 0.00 C ATOM 270 OD1 ASN A 19 5.779 0.290 -1.345 1.00 0.00 O ATOM 271 ND2 ASN A 19 7.480 1.381 -2.323 1.00 0.00 N ATOM 0 H ASN A 19 7.194 -1.990 0.939 1.00 0.00 H new ATOM 0 HA ASN A 19 7.093 -2.006 -1.875 1.00 0.00 H new ATOM 0 HB2 ASN A 19 7.909 -0.231 0.297 1.00 0.00 H new ATOM 0 HB3 ASN A 19 9.005 -0.104 -1.064 1.00 0.00 H new ATOM 0 HD21 ASN A 19 6.849 1.991 -2.843 1.00 0.00 H new ATOM 0 HD22 ASN A 19 8.489 1.482 -2.428 1.00 0.00 H new ATOM 278 N ARG A 20 9.354 -2.636 -2.796 1.00 0.00 N ATOM 279 CA ARG A 20 10.583 -3.229 -3.316 1.00 0.00 C ATOM 280 C ARG A 20 11.815 -2.497 -2.790 1.00 0.00 C ATOM 281 O ARG A 20 12.787 -3.123 -2.369 1.00 0.00 O ATOM 282 CB ARG A 20 10.578 -3.215 -4.846 1.00 0.00 C ATOM 283 CG ARG A 20 10.337 -1.841 -5.450 1.00 0.00 C ATOM 284 CD ARG A 20 11.623 -1.240 -5.994 1.00 0.00 C ATOM 285 NE ARG A 20 11.691 0.203 -5.776 1.00 0.00 N ATOM 286 CZ ARG A 20 12.559 1.004 -6.391 1.00 0.00 C ATOM 287 NH1 ARG A 20 13.430 0.508 -7.262 1.00 0.00 N ATOM 288 NH2 ARG A 20 12.557 2.306 -6.135 1.00 0.00 N ATOM 0 H ARG A 20 8.696 -2.328 -3.512 1.00 0.00 H new ATOM 0 HA ARG A 20 10.627 -4.262 -2.971 1.00 0.00 H new ATOM 0 HB2 ARG A 20 11.534 -3.596 -5.206 1.00 0.00 H new ATOM 0 HB3 ARG A 20 9.807 -3.898 -5.203 1.00 0.00 H new ATOM 0 HG2 ARG A 20 9.602 -1.918 -6.252 1.00 0.00 H new ATOM 0 HG3 ARG A 20 9.916 -1.179 -4.694 1.00 0.00 H new ATOM 0 HD2 ARG A 20 12.477 -1.719 -5.515 1.00 0.00 H new ATOM 0 HD3 ARG A 20 11.697 -1.449 -7.061 1.00 0.00 H new ATOM 0 HE ARG A 20 11.036 0.621 -5.115 1.00 0.00 H new ATOM 0 HH11 ARG A 20 13.437 -0.492 -7.463 1.00 0.00 H new ATOM 0 HH12 ARG A 20 14.092 1.127 -7.730 1.00 0.00 H new ATOM 0 HH21 ARG A 20 11.891 2.693 -5.467 1.00 0.00 H new ATOM 0 HH22 ARG A 20 13.222 2.919 -6.606 1.00 0.00 H new ATOM 302 N HIS A 21 11.769 -1.172 -2.804 1.00 0.00 N ATOM 303 CA HIS A 21 12.886 -0.373 -2.317 1.00 0.00 C ATOM 304 C HIS A 21 13.032 -0.495 -0.800 1.00 0.00 C ATOM 305 O HIS A 21 13.995 0.008 -0.222 1.00 0.00 O ATOM 306 CB HIS A 21 12.698 1.094 -2.705 1.00 0.00 C ATOM 307 CG HIS A 21 13.947 1.911 -2.573 1.00 0.00 C ATOM 308 ND1 HIS A 21 15.191 1.354 -2.360 1.00 0.00 N ATOM 309 CD2 HIS A 21 14.140 3.250 -2.624 1.00 0.00 C ATOM 310 CE1 HIS A 21 16.094 2.315 -2.284 1.00 0.00 C ATOM 311 NE2 HIS A 21 15.483 3.474 -2.443 1.00 0.00 N ATOM 0 H HIS A 21 10.975 -0.630 -3.145 1.00 0.00 H new ATOM 0 HA HIS A 21 13.796 -0.753 -2.781 1.00 0.00 H new ATOM 0 HB2 HIS A 21 12.346 1.147 -3.735 1.00 0.00 H new ATOM 0 HB3 HIS A 21 11.920 1.530 -2.079 1.00 0.00 H new ATOM 0 HD2 HIS A 21 13.380 4.002 -2.778 1.00 0.00 H new ATOM 0 HE1 HIS A 21 17.152 2.176 -2.120 1.00 0.00 H new ATOM 0 HE2 HIS A 21 15.935 4.388 -2.433 1.00 0.00 H new ATOM 320 N LEU A 22 12.067 -1.152 -0.155 1.00 0.00 N ATOM 321 CA LEU A 22 12.100 -1.318 1.293 1.00 0.00 C ATOM 322 C LEU A 22 12.248 -2.785 1.705 1.00 0.00 C ATOM 323 O LEU A 22 12.342 -3.083 2.896 1.00 0.00 O ATOM 324 CB LEU A 22 10.829 -0.737 1.915 1.00 0.00 C ATOM 325 CG LEU A 22 10.746 0.790 1.913 1.00 0.00 C ATOM 326 CD1 LEU A 22 9.370 1.251 2.365 1.00 0.00 C ATOM 327 CD2 LEU A 22 11.828 1.382 2.802 1.00 0.00 C ATOM 0 H LEU A 22 11.259 -1.574 -0.612 1.00 0.00 H new ATOM 0 HA LEU A 22 12.975 -0.781 1.660 1.00 0.00 H new ATOM 0 HB2 LEU A 22 9.967 -1.133 1.379 1.00 0.00 H new ATOM 0 HB3 LEU A 22 10.753 -1.088 2.944 1.00 0.00 H new ATOM 0 HG LEU A 22 10.907 1.143 0.894 1.00 0.00 H new ATOM 0 HD11 LEU A 22 9.330 2.340 2.357 1.00 0.00 H new ATOM 0 HD12 LEU A 22 8.613 0.855 1.688 1.00 0.00 H new ATOM 0 HD13 LEU A 22 9.178 0.888 3.375 1.00 0.00 H new ATOM 0 HD21 LEU A 22 11.755 2.469 2.789 1.00 0.00 H new ATOM 0 HD22 LEU A 22 11.698 1.021 3.822 1.00 0.00 H new ATOM 0 HD23 LEU A 22 12.808 1.080 2.433 1.00 0.00 H new ATOM 339 N ALA A 23 12.267 -3.704 0.738 1.00 0.00 N ATOM 340 CA ALA A 23 12.403 -5.119 1.062 1.00 0.00 C ATOM 341 C ALA A 23 13.868 -5.516 1.196 1.00 0.00 C ATOM 342 O ALA A 23 14.675 -5.273 0.298 1.00 0.00 O ATOM 343 CB ALA A 23 11.707 -5.974 0.017 1.00 0.00 C ATOM 0 H ALA A 23 12.191 -3.496 -0.258 1.00 0.00 H new ATOM 0 HA ALA A 23 11.923 -5.291 2.025 1.00 0.00 H new ATOM 0 HB1 ALA A 23 11.819 -7.027 0.275 1.00 0.00 H new ATOM 0 HB2 ALA A 23 10.648 -5.719 -0.015 1.00 0.00 H new ATOM 0 HB3 ALA A 23 12.154 -5.790 -0.960 1.00 0.00 H new ATOM 349 N THR A 24 14.199 -6.124 2.328 1.00 0.00 N ATOM 350 CA THR A 24 15.565 -6.558 2.599 1.00 0.00 C ATOM 351 C THR A 24 15.905 -7.809 1.791 1.00 0.00 C ATOM 352 O THR A 24 15.020 -8.463 1.243 1.00 0.00 O ATOM 353 CB THR A 24 15.745 -6.818 4.096 1.00 0.00 C ATOM 354 OG1 THR A 24 16.980 -7.467 4.352 1.00 0.00 O ATOM 355 CG2 THR A 24 14.633 -7.658 4.692 1.00 0.00 C ATOM 0 H THR A 24 13.537 -6.329 3.077 1.00 0.00 H new ATOM 0 HA THR A 24 16.249 -5.765 2.297 1.00 0.00 H new ATOM 0 HB THR A 24 15.722 -5.836 4.568 1.00 0.00 H new ATOM 0 HG1 THR A 24 17.075 -7.622 5.315 1.00 0.00 H new ATOM 0 HG21 THR A 24 14.819 -7.806 5.756 1.00 0.00 H new ATOM 0 HG22 THR A 24 13.679 -7.147 4.558 1.00 0.00 H new ATOM 0 HG23 THR A 24 14.599 -8.625 4.191 1.00 0.00 H new ATOM 363 N HIS A 25 17.194 -8.126 1.710 1.00 0.00 N ATOM 364 CA HIS A 25 17.654 -9.283 0.944 1.00 0.00 C ATOM 365 C HIS A 25 16.937 -10.564 1.364 1.00 0.00 C ATOM 366 O HIS A 25 16.748 -11.468 0.552 1.00 0.00 O ATOM 367 CB HIS A 25 19.167 -9.455 1.108 1.00 0.00 C ATOM 368 CG HIS A 25 19.925 -9.332 -0.178 1.00 0.00 C ATOM 369 ND1 HIS A 25 20.144 -8.128 -0.811 1.00 0.00 N ATOM 370 CD2 HIS A 25 20.518 -10.274 -0.950 1.00 0.00 C ATOM 371 CE1 HIS A 25 20.839 -8.333 -1.916 1.00 0.00 C ATOM 372 NE2 HIS A 25 21.079 -9.626 -2.024 1.00 0.00 N ATOM 0 H HIS A 25 17.939 -7.599 2.165 1.00 0.00 H new ATOM 0 HA HIS A 25 17.418 -9.098 -0.104 1.00 0.00 H new ATOM 0 HB2 HIS A 25 19.536 -8.708 1.811 1.00 0.00 H new ATOM 0 HB3 HIS A 25 19.368 -10.432 1.547 1.00 0.00 H new ATOM 0 HD2 HIS A 25 20.545 -11.336 -0.757 1.00 0.00 H new ATOM 0 HE1 HIS A 25 21.157 -7.571 -2.613 1.00 0.00 H new ATOM 0 HE2 HIS A 25 21.597 -10.072 -2.781 1.00 0.00 H new ATOM 381 N VAL A 26 16.536 -10.635 2.625 1.00 0.00 N ATOM 382 CA VAL A 26 15.836 -11.809 3.131 1.00 0.00 C ATOM 383 C VAL A 26 14.410 -11.870 2.590 1.00 0.00 C ATOM 384 O VAL A 26 13.860 -12.953 2.387 1.00 0.00 O ATOM 385 CB VAL A 26 15.805 -11.840 4.673 1.00 0.00 C ATOM 386 CG1 VAL A 26 15.063 -10.633 5.228 1.00 0.00 C ATOM 387 CG2 VAL A 26 15.178 -13.134 5.169 1.00 0.00 C ATOM 0 H VAL A 26 16.682 -9.898 3.315 1.00 0.00 H new ATOM 0 HA VAL A 26 16.390 -12.681 2.783 1.00 0.00 H new ATOM 0 HB VAL A 26 16.833 -11.796 5.034 1.00 0.00 H new ATOM 0 HG11 VAL A 26 15.056 -10.679 6.317 1.00 0.00 H new ATOM 0 HG12 VAL A 26 15.563 -9.719 4.907 1.00 0.00 H new ATOM 0 HG13 VAL A 26 14.038 -10.634 4.858 1.00 0.00 H new ATOM 0 HG21 VAL A 26 15.165 -13.138 6.259 1.00 0.00 H new ATOM 0 HG22 VAL A 26 14.158 -13.211 4.794 1.00 0.00 H new ATOM 0 HG23 VAL A 26 15.762 -13.982 4.810 1.00 0.00 H new ATOM 397 N ASP A 27 13.814 -10.703 2.347 1.00 0.00 N ATOM 398 CA ASP A 27 12.462 -10.635 1.822 1.00 0.00 C ATOM 399 C ASP A 27 12.438 -11.165 0.403 1.00 0.00 C ATOM 400 O ASP A 27 11.553 -11.931 0.025 1.00 0.00 O ATOM 401 CB ASP A 27 11.944 -9.195 1.856 1.00 0.00 C ATOM 402 CG ASP A 27 11.425 -8.799 3.224 1.00 0.00 C ATOM 403 OD1 ASP A 27 10.817 -9.657 3.899 1.00 0.00 O ATOM 404 OD2 ASP A 27 11.624 -7.631 3.619 1.00 0.00 O ATOM 0 H ASP A 27 14.251 -9.795 2.507 1.00 0.00 H new ATOM 0 HA ASP A 27 11.811 -11.248 2.445 1.00 0.00 H new ATOM 0 HB2 ASP A 27 12.746 -8.517 1.564 1.00 0.00 H new ATOM 0 HB3 ASP A 27 11.147 -9.081 1.121 1.00 0.00 H new ATOM 409 N TRP A 28 13.430 -10.755 -0.381 1.00 0.00 N ATOM 410 CA TRP A 28 13.526 -11.198 -1.758 1.00 0.00 C ATOM 411 C TRP A 28 13.989 -12.651 -1.827 1.00 0.00 C ATOM 412 O TRP A 28 13.635 -13.384 -2.750 1.00 0.00 O ATOM 413 CB TRP A 28 14.462 -10.295 -2.563 1.00 0.00 C ATOM 414 CG TRP A 28 14.046 -8.855 -2.546 1.00 0.00 C ATOM 415 CD1 TRP A 28 14.181 -7.986 -1.508 1.00 0.00 C ATOM 416 CD2 TRP A 28 13.419 -8.118 -3.604 1.00 0.00 C ATOM 417 NE1 TRP A 28 13.694 -6.753 -1.852 1.00 0.00 N ATOM 418 CE2 TRP A 28 13.216 -6.807 -3.129 1.00 0.00 C ATOM 419 CE3 TRP A 28 13.013 -8.432 -4.904 1.00 0.00 C ATOM 420 CZ2 TRP A 28 12.625 -5.816 -3.902 1.00 0.00 C ATOM 421 CZ3 TRP A 28 12.425 -7.446 -5.673 1.00 0.00 C ATOM 422 CH2 TRP A 28 12.235 -6.151 -5.170 1.00 0.00 C ATOM 0 H TRP A 28 14.172 -10.121 -0.084 1.00 0.00 H new ATOM 0 HA TRP A 28 12.532 -11.133 -2.201 1.00 0.00 H new ATOM 0 HB2 TRP A 28 15.472 -10.380 -2.163 1.00 0.00 H new ATOM 0 HB3 TRP A 28 14.497 -10.645 -3.595 1.00 0.00 H new ATOM 0 HD1 TRP A 28 14.611 -8.233 -0.549 1.00 0.00 H new ATOM 0 HE1 TRP A 28 13.689 -5.929 -1.251 1.00 0.00 H new ATOM 0 HE3 TRP A 28 13.156 -9.427 -5.300 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 12.479 -4.818 -3.516 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 12.106 -7.677 -6.679 1.00 0.00 H new ATOM 0 HH2 TRP A 28 11.771 -5.403 -5.796 1.00 0.00 H new ATOM 433 N GLN A 29 14.783 -13.062 -0.838 1.00 0.00 N ATOM 434 CA GLN A 29 15.291 -14.429 -0.782 1.00 0.00 C ATOM 435 C GLN A 29 14.140 -15.425 -0.710 1.00 0.00 C ATOM 436 O GLN A 29 14.137 -16.441 -1.406 1.00 0.00 O ATOM 437 CB GLN A 29 16.209 -14.603 0.432 1.00 0.00 C ATOM 438 CG GLN A 29 17.525 -15.292 0.110 1.00 0.00 C ATOM 439 CD GLN A 29 18.262 -14.637 -1.042 1.00 0.00 C ATOM 440 OE1 GLN A 29 18.827 -13.553 -0.895 1.00 0.00 O ATOM 441 NE2 GLN A 29 18.260 -15.293 -2.195 1.00 0.00 N ATOM 0 H GLN A 29 15.087 -12.467 -0.067 1.00 0.00 H new ATOM 0 HA GLN A 29 15.862 -14.621 -1.690 1.00 0.00 H new ATOM 0 HB2 GLN A 29 16.418 -13.623 0.862 1.00 0.00 H new ATOM 0 HB3 GLN A 29 15.684 -15.180 1.193 1.00 0.00 H new ATOM 0 HG2 GLN A 29 18.161 -15.283 0.995 1.00 0.00 H new ATOM 0 HG3 GLN A 29 17.333 -16.337 -0.134 1.00 0.00 H new ATOM 0 HE21 GLN A 29 17.779 -16.189 -2.271 1.00 0.00 H new ATOM 0 HE22 GLN A 29 18.740 -14.901 -3.005 1.00 0.00 H new ATOM 450 N ASN A 30 13.157 -15.118 0.130 1.00 0.00 N ATOM 451 CA ASN A 30 11.989 -15.974 0.289 1.00 0.00 C ATOM 452 C ASN A 30 10.755 -15.300 -0.297 1.00 0.00 C ATOM 453 O ASN A 30 9.630 -15.546 0.139 1.00 0.00 O ATOM 454 CB ASN A 30 11.759 -16.294 1.768 1.00 0.00 C ATOM 455 CG ASN A 30 10.952 -17.561 1.966 1.00 0.00 C ATOM 456 OD1 ASN A 30 10.047 -17.863 1.187 1.00 0.00 O ATOM 457 ND2 ASN A 30 11.275 -18.312 3.012 1.00 0.00 N ATOM 0 H ASN A 30 13.147 -14.280 0.712 1.00 0.00 H new ATOM 0 HA ASN A 30 12.169 -16.906 -0.247 1.00 0.00 H new ATOM 0 HB2 ASN A 30 12.722 -16.398 2.268 1.00 0.00 H new ATOM 0 HB3 ASN A 30 11.242 -15.459 2.241 1.00 0.00 H new ATOM 0 HD21 ASN A 30 10.766 -19.177 3.195 1.00 0.00 H new ATOM 0 HD22 ASN A 30 12.032 -18.024 3.632 1.00 0.00 H new ATOM 464 N CYS A 31 10.979 -14.442 -1.288 1.00 0.00 N ATOM 465 CA CYS A 31 9.893 -13.722 -1.939 1.00 0.00 C ATOM 466 C CYS A 31 9.085 -14.648 -2.839 1.00 0.00 C ATOM 467 O CYS A 31 9.626 -15.283 -3.746 1.00 0.00 O ATOM 468 CB CYS A 31 10.455 -12.546 -2.748 1.00 0.00 C ATOM 469 SG CYS A 31 9.288 -11.808 -3.919 1.00 0.00 S ATOM 0 H CYS A 31 11.906 -14.229 -1.657 1.00 0.00 H new ATOM 0 HA CYS A 31 9.225 -13.337 -1.168 1.00 0.00 H new ATOM 0 HB2 CYS A 31 10.791 -11.774 -2.056 1.00 0.00 H new ATOM 0 HB3 CYS A 31 11.333 -12.887 -3.297 1.00 0.00 H new ATOM 0 HG CYS A 31 8.141 -11.629 -3.334 1.00 0.00 H new ATOM 475 N VAL A 32 7.785 -14.711 -2.585 1.00 0.00 N ATOM 476 CA VAL A 32 6.890 -15.545 -3.369 1.00 0.00 C ATOM 477 C VAL A 32 6.401 -14.797 -4.606 1.00 0.00 C ATOM 478 O VAL A 32 6.299 -15.373 -5.689 1.00 0.00 O ATOM 479 CB VAL A 32 5.676 -16.004 -2.536 1.00 0.00 C ATOM 480 CG1 VAL A 32 6.097 -17.033 -1.495 1.00 0.00 C ATOM 481 CG2 VAL A 32 5.002 -14.818 -1.865 1.00 0.00 C ATOM 0 H VAL A 32 7.327 -14.190 -1.837 1.00 0.00 H new ATOM 0 HA VAL A 32 7.454 -16.425 -3.678 1.00 0.00 H new ATOM 0 HB VAL A 32 4.959 -16.469 -3.212 1.00 0.00 H new ATOM 0 HG11 VAL A 32 5.226 -17.344 -0.918 1.00 0.00 H new ATOM 0 HG12 VAL A 32 6.530 -17.900 -1.994 1.00 0.00 H new ATOM 0 HG13 VAL A 32 6.837 -16.593 -0.827 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.149 -15.166 -1.283 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.713 -14.321 -1.205 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.661 -14.115 -2.625 1.00 0.00 H new ATOM 491 N TRP A 33 6.101 -13.508 -4.442 1.00 0.00 N ATOM 492 CA TRP A 33 5.626 -12.689 -5.558 1.00 0.00 C ATOM 493 C TRP A 33 6.248 -11.291 -5.522 1.00 0.00 C ATOM 494 O TRP A 33 6.613 -10.789 -4.459 1.00 0.00 O ATOM 495 CB TRP A 33 4.092 -12.602 -5.542 1.00 0.00 C ATOM 496 CG TRP A 33 3.546 -11.317 -6.095 1.00 0.00 C ATOM 497 CD1 TRP A 33 3.052 -11.098 -7.349 1.00 0.00 C ATOM 498 CD2 TRP A 33 3.447 -10.071 -5.403 1.00 0.00 C ATOM 499 NE1 TRP A 33 2.653 -9.788 -7.477 1.00 0.00 N ATOM 500 CE2 TRP A 33 2.887 -9.138 -6.293 1.00 0.00 C ATOM 501 CE3 TRP A 33 3.779 -9.659 -4.114 1.00 0.00 C ATOM 502 CZ2 TRP A 33 2.655 -7.812 -5.927 1.00 0.00 C ATOM 503 CZ3 TRP A 33 3.550 -8.347 -3.754 1.00 0.00 C ATOM 504 CH2 TRP A 33 2.992 -7.438 -4.658 1.00 0.00 C ATOM 0 H TRP A 33 6.178 -13.011 -3.554 1.00 0.00 H new ATOM 0 HA TRP A 33 5.938 -13.167 -6.486 1.00 0.00 H new ATOM 0 HB2 TRP A 33 3.685 -13.434 -6.116 1.00 0.00 H new ATOM 0 HB3 TRP A 33 3.742 -12.722 -4.517 1.00 0.00 H new ATOM 0 HD1 TRP A 33 2.984 -11.844 -8.127 1.00 0.00 H new ATOM 0 HE1 TRP A 33 2.249 -9.369 -8.315 1.00 0.00 H new ATOM 0 HE3 TRP A 33 4.208 -10.355 -3.409 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 2.224 -7.107 -6.622 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 3.806 -8.017 -2.758 1.00 0.00 H new ATOM 0 HH2 TRP A 33 2.824 -6.418 -4.346 1.00 0.00 H new ATOM 515 N GLU A 34 6.358 -10.669 -6.694 1.00 0.00 N ATOM 516 CA GLU A 34 6.926 -9.328 -6.804 1.00 0.00 C ATOM 517 C GLU A 34 6.497 -8.661 -8.111 1.00 0.00 C ATOM 518 O GLU A 34 6.824 -9.139 -9.197 1.00 0.00 O ATOM 519 CB GLU A 34 8.453 -9.389 -6.726 1.00 0.00 C ATOM 520 CG GLU A 34 9.123 -8.027 -6.824 1.00 0.00 C ATOM 521 CD GLU A 34 9.406 -7.620 -8.257 1.00 0.00 C ATOM 522 OE1 GLU A 34 10.426 -8.078 -8.814 1.00 0.00 O ATOM 523 OE2 GLU A 34 8.608 -6.842 -8.822 1.00 0.00 O ATOM 0 H GLU A 34 6.061 -11.073 -7.582 1.00 0.00 H new ATOM 0 HA GLU A 34 6.551 -8.732 -5.972 1.00 0.00 H new ATOM 0 HB2 GLU A 34 8.742 -9.860 -5.786 1.00 0.00 H new ATOM 0 HB3 GLU A 34 8.824 -10.026 -7.529 1.00 0.00 H new ATOM 0 HG2 GLU A 34 8.485 -7.277 -6.356 1.00 0.00 H new ATOM 0 HG3 GLU A 34 10.058 -8.044 -6.263 1.00 0.00 H new ATOM 530 N ASP A 35 5.760 -7.559 -7.998 1.00 0.00 N ATOM 531 CA ASP A 35 5.283 -6.832 -9.172 1.00 0.00 C ATOM 532 C ASP A 35 6.046 -5.521 -9.359 1.00 0.00 C ATOM 533 O ASP A 35 6.003 -4.636 -8.502 1.00 0.00 O ATOM 534 CB ASP A 35 3.784 -6.554 -9.048 1.00 0.00 C ATOM 535 CG ASP A 35 3.014 -6.976 -10.284 1.00 0.00 C ATOM 536 OD1 ASP A 35 3.640 -7.114 -11.355 1.00 0.00 O ATOM 537 OD2 ASP A 35 1.784 -7.168 -10.179 1.00 0.00 O ATOM 0 H ASP A 35 5.480 -7.150 -7.107 1.00 0.00 H new ATOM 0 HA ASP A 35 5.460 -7.455 -10.049 1.00 0.00 H new ATOM 0 HB2 ASP A 35 3.390 -7.082 -8.180 1.00 0.00 H new ATOM 0 HB3 ASP A 35 3.628 -5.490 -8.872 1.00 0.00 H new ATOM 542 N TYR A 36 6.743 -5.405 -10.485 1.00 0.00 N ATOM 543 CA TYR A 36 7.523 -4.209 -10.790 1.00 0.00 C ATOM 544 C TYR A 36 6.632 -2.974 -10.917 1.00 0.00 C ATOM 545 O TYR A 36 6.936 -1.921 -10.356 1.00 0.00 O ATOM 546 CB TYR A 36 8.315 -4.410 -12.084 1.00 0.00 C ATOM 547 CG TYR A 36 9.603 -3.621 -12.135 1.00 0.00 C ATOM 548 CD1 TYR A 36 9.596 -2.236 -12.019 1.00 0.00 C ATOM 549 CD2 TYR A 36 10.827 -4.258 -12.298 1.00 0.00 C ATOM 550 CE1 TYR A 36 10.771 -1.510 -12.065 1.00 0.00 C ATOM 551 CE2 TYR A 36 12.006 -3.540 -12.345 1.00 0.00 C ATOM 552 CZ TYR A 36 11.972 -2.167 -12.227 1.00 0.00 C ATOM 553 OH TYR A 36 13.145 -1.448 -12.273 1.00 0.00 O ATOM 0 H TYR A 36 6.784 -6.127 -11.204 1.00 0.00 H new ATOM 0 HA TYR A 36 8.213 -4.045 -9.962 1.00 0.00 H new ATOM 0 HB2 TYR A 36 8.543 -5.470 -12.199 1.00 0.00 H new ATOM 0 HB3 TYR A 36 7.690 -4.125 -12.930 1.00 0.00 H new ATOM 0 HD1 TYR A 36 8.657 -1.719 -11.891 1.00 0.00 H new ATOM 0 HD2 TYR A 36 10.857 -5.334 -12.390 1.00 0.00 H new ATOM 0 HE1 TYR A 36 10.748 -0.434 -11.975 1.00 0.00 H new ATOM 0 HE2 TYR A 36 12.949 -4.051 -12.473 1.00 0.00 H new ATOM 0 HH TYR A 36 13.900 -2.061 -12.390 1.00 0.00 H new ATOM 563 N ASN A 37 5.537 -3.103 -11.661 1.00 0.00 N ATOM 564 CA ASN A 37 4.615 -1.991 -11.859 1.00 0.00 C ATOM 565 C ASN A 37 4.043 -1.504 -10.531 1.00 0.00 C ATOM 566 O ASN A 37 3.538 -0.386 -10.438 1.00 0.00 O ATOM 567 CB ASN A 37 3.476 -2.402 -12.795 1.00 0.00 C ATOM 568 CG ASN A 37 3.976 -3.122 -14.033 1.00 0.00 C ATOM 569 OD1 ASN A 37 4.082 -4.348 -14.052 1.00 0.00 O ATOM 570 ND2 ASN A 37 4.288 -2.361 -15.075 1.00 0.00 N ATOM 0 H ASN A 37 5.268 -3.965 -12.135 1.00 0.00 H new ATOM 0 HA ASN A 37 5.174 -1.173 -12.312 1.00 0.00 H new ATOM 0 HB2 ASN A 37 2.783 -3.049 -12.257 1.00 0.00 H new ATOM 0 HB3 ASN A 37 2.918 -1.515 -13.094 1.00 0.00 H new ATOM 0 HD21 ASN A 37 4.631 -2.789 -15.935 1.00 0.00 H new ATOM 0 HD22 ASN A 37 4.185 -1.348 -15.016 1.00 0.00 H new ATOM 577 N ARG A 38 4.127 -2.342 -9.502 1.00 0.00 N ATOM 578 CA ARG A 38 3.617 -1.978 -8.186 1.00 0.00 C ATOM 579 C ARG A 38 4.755 -1.802 -7.182 1.00 0.00 C ATOM 580 O ARG A 38 4.526 -1.391 -6.045 1.00 0.00 O ATOM 581 CB ARG A 38 2.640 -3.042 -7.683 1.00 0.00 C ATOM 582 CG ARG A 38 1.353 -3.118 -8.489 1.00 0.00 C ATOM 583 CD ARG A 38 1.607 -3.613 -9.904 1.00 0.00 C ATOM 584 NE ARG A 38 0.434 -4.271 -10.472 1.00 0.00 N ATOM 585 CZ ARG A 38 0.475 -5.075 -11.533 1.00 0.00 C ATOM 586 NH1 ARG A 38 1.628 -5.335 -12.134 1.00 0.00 N ATOM 587 NH2 ARG A 38 -0.641 -5.627 -11.989 1.00 0.00 N ATOM 0 H ARG A 38 4.541 -3.273 -9.554 1.00 0.00 H new ATOM 0 HA ARG A 38 3.094 -1.026 -8.281 1.00 0.00 H new ATOM 0 HB2 ARG A 38 3.132 -4.015 -7.707 1.00 0.00 H new ATOM 0 HB3 ARG A 38 2.395 -2.834 -6.641 1.00 0.00 H new ATOM 0 HG2 ARG A 38 0.650 -3.785 -7.990 1.00 0.00 H new ATOM 0 HG3 ARG A 38 0.887 -2.133 -8.526 1.00 0.00 H new ATOM 0 HD2 ARG A 38 1.893 -2.772 -10.536 1.00 0.00 H new ATOM 0 HD3 ARG A 38 2.446 -4.308 -9.900 1.00 0.00 H new ATOM 0 HE ARG A 38 -0.470 -4.105 -10.030 1.00 0.00 H new ATOM 0 HH11 ARG A 38 2.491 -4.918 -11.784 1.00 0.00 H new ATOM 0 HH12 ARG A 38 1.652 -5.952 -12.946 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -1.530 -5.436 -11.527 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -0.610 -6.243 -12.802 1.00 0.00 H new ATOM 601 N ASP A 39 5.981 -2.119 -7.603 1.00 0.00 N ATOM 602 CA ASP A 39 7.144 -1.996 -6.728 1.00 0.00 C ATOM 603 C ASP A 39 6.864 -2.646 -5.377 1.00 0.00 C ATOM 604 O ASP A 39 7.253 -2.130 -4.330 1.00 0.00 O ATOM 605 CB ASP A 39 7.513 -0.524 -6.535 1.00 0.00 C ATOM 606 CG ASP A 39 8.574 -0.063 -7.515 1.00 0.00 C ATOM 607 OD1 ASP A 39 8.697 -0.682 -8.592 1.00 0.00 O ATOM 608 OD2 ASP A 39 9.285 0.916 -7.204 1.00 0.00 O ATOM 0 H ASP A 39 6.192 -2.461 -8.541 1.00 0.00 H new ATOM 0 HA ASP A 39 7.983 -2.509 -7.197 1.00 0.00 H new ATOM 0 HB2 ASP A 39 6.621 0.090 -6.654 1.00 0.00 H new ATOM 0 HB3 ASP A 39 7.871 -0.372 -5.517 1.00 0.00 H new ATOM 613 N LEU A 40 6.169 -3.776 -5.416 1.00 0.00 N ATOM 614 CA LEU A 40 5.814 -4.500 -4.203 1.00 0.00 C ATOM 615 C LEU A 40 6.129 -5.986 -4.342 1.00 0.00 C ATOM 616 O LEU A 40 6.193 -6.516 -5.451 1.00 0.00 O ATOM 617 CB LEU A 40 4.328 -4.300 -3.903 1.00 0.00 C ATOM 618 CG LEU A 40 3.842 -4.880 -2.576 1.00 0.00 C ATOM 619 CD1 LEU A 40 4.373 -4.060 -1.410 1.00 0.00 C ATOM 620 CD2 LEU A 40 2.320 -4.930 -2.546 1.00 0.00 C ATOM 0 H LEU A 40 5.839 -4.212 -6.277 1.00 0.00 H new ATOM 0 HA LEU A 40 6.406 -4.107 -3.377 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.114 -3.231 -3.913 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.749 -4.749 -4.710 1.00 0.00 H new ATOM 0 HG LEU A 40 4.223 -5.897 -2.481 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.017 -4.487 -0.473 1.00 0.00 H new ATOM 0 HD12 LEU A 40 5.463 -4.072 -1.423 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.020 -3.032 -1.497 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.988 -5.346 -1.594 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.921 -3.922 -2.661 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.960 -5.558 -3.361 1.00 0.00 H new ATOM 632 N LEU A 41 6.320 -6.654 -3.208 1.00 0.00 N ATOM 633 CA LEU A 41 6.623 -8.083 -3.203 1.00 0.00 C ATOM 634 C LEU A 41 6.101 -8.759 -1.943 1.00 0.00 C ATOM 635 O LEU A 41 5.910 -8.115 -0.914 1.00 0.00 O ATOM 636 CB LEU A 41 8.134 -8.346 -3.372 1.00 0.00 C ATOM 637 CG LEU A 41 9.096 -7.806 -2.287 1.00 0.00 C ATOM 638 CD1 LEU A 41 9.959 -6.693 -2.856 1.00 0.00 C ATOM 639 CD2 LEU A 41 8.372 -7.316 -1.041 1.00 0.00 C ATOM 0 H LEU A 41 6.271 -6.230 -2.282 1.00 0.00 H new ATOM 0 HA LEU A 41 6.109 -8.519 -4.060 1.00 0.00 H new ATOM 0 HB2 LEU A 41 8.279 -9.424 -3.439 1.00 0.00 H new ATOM 0 HB3 LEU A 41 8.441 -7.924 -4.329 1.00 0.00 H new ATOM 0 HG LEU A 41 9.724 -8.643 -1.982 1.00 0.00 H new ATOM 0 HD11 LEU A 41 10.631 -6.322 -2.082 1.00 0.00 H new ATOM 0 HD12 LEU A 41 10.544 -7.077 -3.691 1.00 0.00 H new ATOM 0 HD13 LEU A 41 9.322 -5.880 -3.203 1.00 0.00 H new ATOM 0 HD21 LEU A 41 9.100 -6.950 -0.317 1.00 0.00 H new ATOM 0 HD22 LEU A 41 7.690 -6.509 -1.310 1.00 0.00 H new ATOM 0 HD23 LEU A 41 7.806 -8.138 -0.602 1.00 0.00 H new ATOM 651 N VAL A 42 5.870 -10.063 -2.027 1.00 0.00 N ATOM 652 CA VAL A 42 5.380 -10.816 -0.884 1.00 0.00 C ATOM 653 C VAL A 42 6.364 -11.912 -0.514 1.00 0.00 C ATOM 654 O VAL A 42 6.834 -12.658 -1.373 1.00 0.00 O ATOM 655 CB VAL A 42 3.979 -11.444 -1.139 1.00 0.00 C ATOM 656 CG1 VAL A 42 3.665 -12.551 -0.130 1.00 0.00 C ATOM 657 CG2 VAL A 42 2.895 -10.378 -1.089 1.00 0.00 C ATOM 0 H VAL A 42 6.014 -10.617 -2.871 1.00 0.00 H new ATOM 0 HA VAL A 42 5.281 -10.108 -0.061 1.00 0.00 H new ATOM 0 HB VAL A 42 3.999 -11.887 -2.135 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.679 -12.966 -0.340 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.414 -13.339 -0.209 1.00 0.00 H new ATOM 0 HG13 VAL A 42 3.678 -12.138 0.879 1.00 0.00 H new ATOM 0 HG21 VAL A 42 1.924 -10.838 -1.270 1.00 0.00 H new ATOM 0 HG22 VAL A 42 2.895 -9.905 -0.107 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.088 -9.626 -1.854 1.00 0.00 H new ATOM 667 N SER A 43 6.651 -11.999 0.777 1.00 0.00 N ATOM 668 CA SER A 43 7.559 -13.000 1.308 1.00 0.00 C ATOM 669 C SER A 43 6.860 -13.771 2.419 1.00 0.00 C ATOM 670 O SER A 43 5.895 -13.282 3.004 1.00 0.00 O ATOM 671 CB SER A 43 8.834 -12.339 1.834 1.00 0.00 C ATOM 672 OG SER A 43 9.420 -13.101 2.876 1.00 0.00 O ATOM 0 H SER A 43 6.260 -11.377 1.484 1.00 0.00 H new ATOM 0 HA SER A 43 7.841 -13.691 0.513 1.00 0.00 H new ATOM 0 HB2 SER A 43 9.549 -12.224 1.019 1.00 0.00 H new ATOM 0 HB3 SER A 43 8.603 -11.338 2.199 1.00 0.00 H new ATOM 0 HG SER A 43 10.234 -12.654 3.190 1.00 0.00 H new ATOM 678 N THR A 44 7.328 -14.978 2.698 1.00 0.00 N ATOM 679 CA THR A 44 6.710 -15.796 3.730 1.00 0.00 C ATOM 680 C THR A 44 7.456 -15.685 5.052 1.00 0.00 C ATOM 681 O THR A 44 8.641 -16.002 5.145 1.00 0.00 O ATOM 682 CB THR A 44 6.639 -17.250 3.272 1.00 0.00 C ATOM 683 OG1 THR A 44 7.904 -17.878 3.376 1.00 0.00 O ATOM 684 CG2 THR A 44 6.170 -17.381 1.844 1.00 0.00 C ATOM 0 H THR A 44 8.125 -15.409 2.230 1.00 0.00 H new ATOM 0 HA THR A 44 5.698 -15.426 3.894 1.00 0.00 H new ATOM 0 HB THR A 44 5.917 -17.735 3.929 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.533 -17.275 3.824 1.00 0.00 H new ATOM 0 HG21 THR A 44 6.137 -18.435 1.567 1.00 0.00 H new ATOM 0 HG22 THR A 44 5.174 -16.949 1.747 1.00 0.00 H new ATOM 0 HG23 THR A 44 6.860 -16.854 1.185 1.00 0.00 H new ATOM 692 N THR A 45 6.740 -15.222 6.072 1.00 0.00 N ATOM 693 CA THR A 45 7.309 -15.050 7.403 1.00 0.00 C ATOM 694 C THR A 45 6.767 -16.101 8.366 1.00 0.00 C ATOM 695 O THR A 45 5.728 -16.711 8.114 1.00 0.00 O ATOM 696 CB THR A 45 7.001 -13.644 7.930 1.00 0.00 C ATOM 697 OG1 THR A 45 7.146 -13.593 9.339 1.00 0.00 O ATOM 698 CG2 THR A 45 5.602 -13.167 7.594 1.00 0.00 C ATOM 0 H THR A 45 5.757 -14.958 6.000 1.00 0.00 H new ATOM 0 HA THR A 45 8.389 -15.176 7.332 1.00 0.00 H new ATOM 0 HB THR A 45 7.717 -12.989 7.434 1.00 0.00 H new ATOM 0 HG1 THR A 45 6.947 -12.687 9.656 1.00 0.00 H new ATOM 0 HG21 THR A 45 5.452 -12.165 7.997 1.00 0.00 H new ATOM 0 HG22 THR A 45 5.475 -13.145 6.512 1.00 0.00 H new ATOM 0 HG23 THR A 45 4.871 -13.847 8.031 1.00 0.00 H new ATOM 706 N THR A 46 7.478 -16.308 9.470 1.00 0.00 N ATOM 707 CA THR A 46 7.068 -17.285 10.471 1.00 0.00 C ATOM 708 C THR A 46 6.506 -16.592 11.709 1.00 0.00 C ATOM 709 O THR A 46 6.801 -16.982 12.840 1.00 0.00 O ATOM 710 CB THR A 46 8.251 -18.172 10.861 1.00 0.00 C ATOM 711 OG1 THR A 46 7.858 -19.140 11.817 1.00 0.00 O ATOM 712 CG2 THR A 46 9.415 -17.398 11.442 1.00 0.00 C ATOM 0 H THR A 46 8.341 -15.812 9.693 1.00 0.00 H new ATOM 0 HA THR A 46 6.284 -17.906 10.038 1.00 0.00 H new ATOM 0 HB THR A 46 8.577 -18.643 9.933 1.00 0.00 H new ATOM 0 HG1 THR A 46 7.539 -18.689 12.627 1.00 0.00 H new ATOM 0 HG21 THR A 46 10.220 -18.088 11.697 1.00 0.00 H new ATOM 0 HG22 THR A 46 9.774 -16.676 10.708 1.00 0.00 H new ATOM 0 HG23 THR A 46 9.090 -16.872 12.340 1.00 0.00 H new ATOM 720 N ALA A 47 5.694 -15.564 11.488 1.00 0.00 N ATOM 721 CA ALA A 47 5.089 -14.817 12.585 1.00 0.00 C ATOM 722 C ALA A 47 3.600 -14.599 12.346 1.00 0.00 C ATOM 723 O ALA A 47 3.091 -14.863 11.257 1.00 0.00 O ATOM 724 CB ALA A 47 5.798 -13.484 12.768 1.00 0.00 C ATOM 0 H ALA A 47 5.439 -15.229 10.559 1.00 0.00 H new ATOM 0 HA ALA A 47 5.200 -15.404 13.497 1.00 0.00 H new ATOM 0 HB1 ALA A 47 5.337 -12.936 13.590 1.00 0.00 H new ATOM 0 HB2 ALA A 47 6.850 -13.659 12.994 1.00 0.00 H new ATOM 0 HB3 ALA A 47 5.716 -12.900 11.852 1.00 0.00 H new ATOM 730 N HIS A 48 2.906 -14.114 13.370 1.00 0.00 N ATOM 731 CA HIS A 48 1.473 -13.860 13.272 1.00 0.00 C ATOM 732 C HIS A 48 1.201 -12.576 12.495 1.00 0.00 C ATOM 733 O HIS A 48 1.947 -11.603 12.603 1.00 0.00 O ATOM 734 CB HIS A 48 0.853 -13.766 14.667 1.00 0.00 C ATOM 735 CG HIS A 48 1.481 -12.716 15.530 1.00 0.00 C ATOM 736 ND1 HIS A 48 2.332 -13.010 16.576 1.00 0.00 N ATOM 737 CD2 HIS A 48 1.378 -11.366 15.499 1.00 0.00 C ATOM 738 CE1 HIS A 48 2.724 -11.887 17.150 1.00 0.00 C ATOM 739 NE2 HIS A 48 2.160 -10.875 16.516 1.00 0.00 N ATOM 0 H HIS A 48 3.313 -13.889 14.278 1.00 0.00 H new ATOM 0 HA HIS A 48 1.018 -14.693 12.736 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -0.212 -13.555 14.569 1.00 0.00 H new ATOM 0 HB3 HIS A 48 0.943 -14.733 15.162 1.00 0.00 H new ATOM 0 HD2 HIS A 48 0.791 -10.784 14.804 1.00 0.00 H new ATOM 0 HE1 HIS A 48 3.392 -11.809 17.995 1.00 0.00 H new ATOM 0 HE2 HIS A 48 2.285 -9.889 16.744 1.00 0.00 H new ATOM 748 N GLY A 49 0.126 -12.580 11.714 1.00 0.00 N ATOM 749 CA GLY A 49 -0.227 -11.412 10.931 1.00 0.00 C ATOM 750 C GLY A 49 -1.016 -10.394 11.732 1.00 0.00 C ATOM 751 O GLY A 49 -2.020 -10.732 12.360 1.00 0.00 O ATOM 0 H GLY A 49 -0.507 -13.373 11.610 1.00 0.00 H new ATOM 0 HA2 GLY A 49 0.682 -10.945 10.550 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -0.813 -11.722 10.066 1.00 0.00 H new ATOM 755 N CYS A 50 -0.563 -9.146 11.709 1.00 0.00 N ATOM 756 CA CYS A 50 -1.234 -8.074 12.438 1.00 0.00 C ATOM 757 C CYS A 50 -1.998 -7.163 11.483 1.00 0.00 C ATOM 758 O CYS A 50 -2.183 -5.977 11.756 1.00 0.00 O ATOM 759 CB CYS A 50 -0.217 -7.259 13.238 1.00 0.00 C ATOM 760 SG CYS A 50 -0.819 -6.705 14.851 1.00 0.00 S ATOM 0 H CYS A 50 0.266 -8.850 11.194 1.00 0.00 H new ATOM 0 HA CYS A 50 -1.947 -8.527 13.127 1.00 0.00 H new ATOM 0 HB2 CYS A 50 0.680 -7.860 13.384 1.00 0.00 H new ATOM 0 HB3 CYS A 50 0.075 -6.387 12.652 1.00 0.00 H new ATOM 0 HG CYS A 50 0.113 -6.026 15.452 1.00 0.00 H new ATOM 766 N ASP A 51 -2.439 -7.725 10.362 1.00 0.00 N ATOM 767 CA ASP A 51 -3.183 -6.964 9.365 1.00 0.00 C ATOM 768 C ASP A 51 -4.109 -7.876 8.567 1.00 0.00 C ATOM 769 O ASP A 51 -3.702 -8.946 8.113 1.00 0.00 O ATOM 770 CB ASP A 51 -2.222 -6.240 8.421 1.00 0.00 C ATOM 771 CG ASP A 51 -1.633 -4.989 9.043 1.00 0.00 C ATOM 772 OD1 ASP A 51 -2.405 -4.188 9.609 1.00 0.00 O ATOM 773 OD2 ASP A 51 -0.399 -4.813 8.964 1.00 0.00 O ATOM 0 H ASP A 51 -2.294 -8.706 10.121 1.00 0.00 H new ATOM 0 HA ASP A 51 -3.791 -6.225 9.887 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -1.415 -6.917 8.139 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -2.749 -5.973 7.505 1.00 0.00 H new ATOM 778 N THR A 52 -5.354 -7.445 8.397 1.00 0.00 N ATOM 779 CA THR A 52 -6.339 -8.220 7.652 1.00 0.00 C ATOM 780 C THR A 52 -6.810 -7.456 6.420 1.00 0.00 C ATOM 781 O THR A 52 -7.414 -6.389 6.534 1.00 0.00 O ATOM 782 CB THR A 52 -7.534 -8.560 8.544 1.00 0.00 C ATOM 783 OG1 THR A 52 -7.109 -9.221 9.722 1.00 0.00 O ATOM 784 CG2 THR A 52 -8.556 -9.444 7.863 1.00 0.00 C ATOM 0 H THR A 52 -5.705 -6.561 8.766 1.00 0.00 H new ATOM 0 HA THR A 52 -5.865 -9.146 7.325 1.00 0.00 H new ATOM 0 HB THR A 52 -8.003 -7.604 8.776 1.00 0.00 H new ATOM 0 HG1 THR A 52 -7.888 -9.428 10.280 1.00 0.00 H new ATOM 0 HG21 THR A 52 -9.377 -9.647 8.550 1.00 0.00 H new ATOM 0 HG22 THR A 52 -8.941 -8.939 6.977 1.00 0.00 H new ATOM 0 HG23 THR A 52 -8.087 -10.383 7.570 1.00 0.00 H new ATOM 792 N ILE A 53 -6.530 -8.007 5.244 1.00 0.00 N ATOM 793 CA ILE A 53 -6.927 -7.372 3.992 1.00 0.00 C ATOM 794 C ILE A 53 -8.432 -7.494 3.775 1.00 0.00 C ATOM 795 O ILE A 53 -9.027 -8.533 4.059 1.00 0.00 O ATOM 796 CB ILE A 53 -6.211 -7.975 2.767 1.00 0.00 C ATOM 797 CG1 ILE A 53 -4.753 -8.338 3.078 1.00 0.00 C ATOM 798 CG2 ILE A 53 -6.281 -7.008 1.599 1.00 0.00 C ATOM 799 CD1 ILE A 53 -3.824 -7.146 3.200 1.00 0.00 C ATOM 0 H ILE A 53 -6.031 -8.889 5.131 1.00 0.00 H new ATOM 0 HA ILE A 53 -6.638 -6.325 4.083 1.00 0.00 H new ATOM 0 HB ILE A 53 -6.724 -8.899 2.501 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -4.723 -8.904 4.009 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -4.380 -8.996 2.293 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -5.773 -7.441 0.737 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -7.324 -6.817 1.347 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -5.796 -6.071 1.873 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -2.814 -7.493 3.420 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -3.820 -6.590 2.262 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -4.169 -6.497 4.005 1.00 0.00 H new ATOM 811 N ALA A 54 -9.042 -6.424 3.278 1.00 0.00 N ATOM 812 CA ALA A 54 -10.477 -6.408 3.029 1.00 0.00 C ATOM 813 C ALA A 54 -10.824 -7.025 1.678 1.00 0.00 C ATOM 814 O ALA A 54 -11.662 -7.922 1.593 1.00 0.00 O ATOM 815 CB ALA A 54 -11.003 -4.984 3.102 1.00 0.00 C ATOM 0 H ALA A 54 -8.563 -5.555 3.040 1.00 0.00 H new ATOM 0 HA ALA A 54 -10.954 -7.012 3.801 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -12.077 -4.983 2.914 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -10.807 -4.574 4.093 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -10.503 -4.372 2.351 1.00 0.00 H new ATOM 821 N ARG A 55 -10.190 -6.525 0.623 1.00 0.00 N ATOM 822 CA ARG A 55 -10.452 -7.016 -0.725 1.00 0.00 C ATOM 823 C ARG A 55 -11.895 -6.723 -1.116 1.00 0.00 C ATOM 824 O ARG A 55 -12.538 -7.514 -1.808 1.00 0.00 O ATOM 825 CB ARG A 55 -10.179 -8.520 -0.818 1.00 0.00 C ATOM 826 CG ARG A 55 -10.069 -9.026 -2.248 1.00 0.00 C ATOM 827 CD ARG A 55 -10.099 -10.545 -2.307 1.00 0.00 C ATOM 828 NE ARG A 55 -10.503 -11.033 -3.625 1.00 0.00 N ATOM 829 CZ ARG A 55 -11.765 -11.077 -4.044 1.00 0.00 C ATOM 830 NH1 ARG A 55 -12.750 -10.668 -3.254 1.00 0.00 N ATOM 831 NH2 ARG A 55 -12.045 -11.532 -5.258 1.00 0.00 N ATOM 0 H ARG A 55 -9.493 -5.782 0.675 1.00 0.00 H new ATOM 0 HA ARG A 55 -9.783 -6.501 -1.414 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -9.254 -8.747 -0.288 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -10.979 -9.059 -0.310 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -10.889 -8.622 -2.842 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -9.143 -8.662 -2.693 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -9.112 -10.937 -2.062 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -10.789 -10.924 -1.553 1.00 0.00 H new ATOM 0 HE ARG A 55 -9.775 -11.359 -4.260 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -12.542 -10.317 -2.319 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -13.715 -10.705 -3.582 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -11.293 -11.848 -5.870 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -13.012 -11.566 -5.579 1.00 0.00 H new ATOM 845 N CYS A 56 -12.396 -5.581 -0.659 1.00 0.00 N ATOM 846 CA CYS A 56 -13.765 -5.171 -0.948 1.00 0.00 C ATOM 847 C CYS A 56 -13.803 -4.159 -2.088 1.00 0.00 C ATOM 848 O CYS A 56 -12.889 -3.348 -2.245 1.00 0.00 O ATOM 849 CB CYS A 56 -14.418 -4.573 0.302 1.00 0.00 C ATOM 850 SG CYS A 56 -13.393 -3.333 1.163 1.00 0.00 S ATOM 0 H CYS A 56 -11.872 -4.920 -0.085 1.00 0.00 H new ATOM 0 HA CYS A 56 -14.323 -6.056 -1.253 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -15.364 -4.112 0.018 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -14.652 -5.380 0.997 1.00 0.00 H new ATOM 0 HG CYS A 56 -14.074 -2.810 2.139 1.00 0.00 H new ATOM 855 N GLN A 57 -14.867 -4.215 -2.884 1.00 0.00 N ATOM 856 CA GLN A 57 -15.027 -3.307 -4.014 1.00 0.00 C ATOM 857 C GLN A 57 -15.722 -2.018 -3.587 1.00 0.00 C ATOM 858 O GLN A 57 -16.734 -1.623 -4.167 1.00 0.00 O ATOM 859 CB GLN A 57 -15.823 -3.987 -5.129 1.00 0.00 C ATOM 860 CG GLN A 57 -15.126 -5.200 -5.723 1.00 0.00 C ATOM 861 CD GLN A 57 -14.550 -4.926 -7.098 1.00 0.00 C ATOM 862 OE1 GLN A 57 -14.981 -5.512 -8.092 1.00 0.00 O ATOM 863 NE2 GLN A 57 -13.570 -4.033 -7.163 1.00 0.00 N ATOM 0 H GLN A 57 -15.631 -4.880 -2.767 1.00 0.00 H new ATOM 0 HA GLN A 57 -14.035 -3.053 -4.387 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -16.793 -4.292 -4.737 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -16.013 -3.263 -5.922 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -14.326 -5.518 -5.055 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -15.834 -6.026 -5.788 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -13.244 -3.571 -6.314 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -13.143 -3.809 -8.062 1.00 0.00 H new ATOM 872 N CYS A 58 -15.171 -1.362 -2.571 1.00 0.00 N ATOM 873 CA CYS A 58 -15.739 -0.115 -2.071 1.00 0.00 C ATOM 874 C CYS A 58 -15.215 1.076 -2.865 1.00 0.00 C ATOM 875 O CYS A 58 -14.224 0.967 -3.587 1.00 0.00 O ATOM 876 CB CYS A 58 -15.403 0.070 -0.590 1.00 0.00 C ATOM 877 SG CYS A 58 -16.288 -1.064 0.527 1.00 0.00 S ATOM 0 H CYS A 58 -14.333 -1.672 -2.078 1.00 0.00 H new ATOM 0 HA CYS A 58 -16.821 -0.169 -2.190 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -14.330 -0.067 -0.453 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -15.632 1.096 -0.303 1.00 0.00 H new ATOM 0 HG CYS A 58 -15.480 -2.003 0.921 1.00 0.00 H new ATOM 882 N THR A 59 -15.883 2.214 -2.719 1.00 0.00 N ATOM 883 CA THR A 59 -15.482 3.431 -3.415 1.00 0.00 C ATOM 884 C THR A 59 -14.930 4.461 -2.435 1.00 0.00 C ATOM 885 O THR A 59 -14.226 5.390 -2.830 1.00 0.00 O ATOM 886 CB THR A 59 -16.668 4.024 -4.176 1.00 0.00 C ATOM 887 OG1 THR A 59 -17.613 3.020 -4.498 1.00 0.00 O ATOM 888 CG2 THR A 59 -16.268 4.711 -5.465 1.00 0.00 C ATOM 0 H THR A 59 -16.705 2.320 -2.125 1.00 0.00 H new ATOM 0 HA THR A 59 -14.697 3.170 -4.124 1.00 0.00 H new ATOM 0 HB THR A 59 -17.098 4.767 -3.505 1.00 0.00 H new ATOM 0 HG1 THR A 59 -18.364 3.421 -4.983 1.00 0.00 H new ATOM 0 HG21 THR A 59 -17.156 5.110 -5.956 1.00 0.00 H new ATOM 0 HG22 THR A 59 -15.579 5.526 -5.244 1.00 0.00 H new ATOM 0 HG23 THR A 59 -15.781 3.993 -6.124 1.00 0.00 H new ATOM 896 N THR A 60 -15.255 4.294 -1.154 1.00 0.00 N ATOM 897 CA THR A 60 -14.790 5.217 -0.126 1.00 0.00 C ATOM 898 C THR A 60 -14.080 4.478 1.003 1.00 0.00 C ATOM 899 O THR A 60 -14.646 3.577 1.625 1.00 0.00 O ATOM 900 CB THR A 60 -15.966 6.019 0.436 1.00 0.00 C ATOM 901 OG1 THR A 60 -16.731 5.229 1.328 1.00 0.00 O ATOM 902 CG2 THR A 60 -16.901 6.540 -0.634 1.00 0.00 C ATOM 0 H THR A 60 -15.836 3.531 -0.807 1.00 0.00 H new ATOM 0 HA THR A 60 -14.076 5.899 -0.588 1.00 0.00 H new ATOM 0 HB THR A 60 -15.517 6.870 0.948 1.00 0.00 H new ATOM 0 HG1 THR A 60 -16.241 4.407 1.539 1.00 0.00 H new ATOM 0 HG21 THR A 60 -17.712 7.099 -0.168 1.00 0.00 H new ATOM 0 HG22 THR A 60 -16.351 7.194 -1.310 1.00 0.00 H new ATOM 0 HG23 THR A 60 -17.314 5.702 -1.196 1.00 0.00 H new ATOM 910 N GLY A 61 -12.841 4.874 1.267 1.00 0.00 N ATOM 911 CA GLY A 61 -12.064 4.255 2.326 1.00 0.00 C ATOM 912 C GLY A 61 -11.289 5.284 3.125 1.00 0.00 C ATOM 913 O GLY A 61 -11.159 6.431 2.701 1.00 0.00 O ATOM 0 H GLY A 61 -12.357 5.618 0.763 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -12.729 3.703 2.991 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -11.372 3.532 1.895 1.00 0.00 H new ATOM 917 N VAL A 62 -10.774 4.884 4.283 1.00 0.00 N ATOM 918 CA VAL A 62 -10.016 5.801 5.125 1.00 0.00 C ATOM 919 C VAL A 62 -8.517 5.554 5.005 1.00 0.00 C ATOM 920 O VAL A 62 -8.051 4.416 5.106 1.00 0.00 O ATOM 921 CB VAL A 62 -10.437 5.690 6.604 1.00 0.00 C ATOM 922 CG1 VAL A 62 -10.127 4.306 7.154 1.00 0.00 C ATOM 923 CG2 VAL A 62 -9.758 6.770 7.433 1.00 0.00 C ATOM 0 H VAL A 62 -10.867 3.940 4.657 1.00 0.00 H new ATOM 0 HA VAL A 62 -10.238 6.808 4.772 1.00 0.00 H new ATOM 0 HB VAL A 62 -11.515 5.839 6.666 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -10.433 4.253 8.199 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -10.669 3.556 6.578 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -9.056 4.116 7.080 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -10.066 6.677 8.474 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -8.676 6.656 7.363 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -10.044 7.752 7.056 1.00 0.00 H new ATOM 933 N TYR A 63 -7.765 6.628 4.785 1.00 0.00 N ATOM 934 CA TYR A 63 -6.319 6.534 4.649 1.00 0.00 C ATOM 935 C TYR A 63 -5.617 7.079 5.889 1.00 0.00 C ATOM 936 O TYR A 63 -6.025 8.096 6.449 1.00 0.00 O ATOM 937 CB TYR A 63 -5.854 7.283 3.392 1.00 0.00 C ATOM 938 CG TYR A 63 -5.792 8.791 3.545 1.00 0.00 C ATOM 939 CD1 TYR A 63 -4.773 9.391 4.275 1.00 0.00 C ATOM 940 CD2 TYR A 63 -6.747 9.612 2.956 1.00 0.00 C ATOM 941 CE1 TYR A 63 -4.708 10.763 4.416 1.00 0.00 C ATOM 942 CE2 TYR A 63 -6.686 10.987 3.092 1.00 0.00 C ATOM 943 CZ TYR A 63 -5.665 11.557 3.822 1.00 0.00 C ATOM 944 OH TYR A 63 -5.602 12.924 3.959 1.00 0.00 O ATOM 0 H TYR A 63 -8.136 7.574 4.697 1.00 0.00 H new ATOM 0 HA TYR A 63 -6.052 5.482 4.548 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -4.866 6.918 3.112 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -6.528 7.041 2.570 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -4.019 8.773 4.740 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -7.549 9.169 2.384 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -3.911 11.212 4.989 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -7.435 11.612 2.628 1.00 0.00 H new ATOM 0 HH TYR A 63 -6.350 13.336 3.479 1.00 0.00 H new ATOM 954 N PHE A 64 -4.559 6.395 6.312 1.00 0.00 N ATOM 955 CA PHE A 64 -3.800 6.811 7.486 1.00 0.00 C ATOM 956 C PHE A 64 -3.073 8.126 7.225 1.00 0.00 C ATOM 957 O PHE A 64 -2.291 8.237 6.281 1.00 0.00 O ATOM 958 CB PHE A 64 -2.794 5.728 7.878 1.00 0.00 C ATOM 959 CG PHE A 64 -2.120 5.982 9.197 1.00 0.00 C ATOM 960 CD1 PHE A 64 -1.015 6.814 9.277 1.00 0.00 C ATOM 961 CD2 PHE A 64 -2.594 5.389 10.355 1.00 0.00 C ATOM 962 CE1 PHE A 64 -0.395 7.049 10.489 1.00 0.00 C ATOM 963 CE2 PHE A 64 -1.977 5.621 11.571 1.00 0.00 C ATOM 964 CZ PHE A 64 -0.877 6.451 11.637 1.00 0.00 C ATOM 0 H PHE A 64 -4.208 5.551 5.860 1.00 0.00 H new ATOM 0 HA PHE A 64 -4.501 6.961 8.307 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -3.306 4.767 7.920 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -2.034 5.651 7.100 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -0.634 7.284 8.382 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -3.455 4.738 10.308 1.00 0.00 H new ATOM 0 HE1 PHE A 64 0.466 7.700 10.539 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -2.356 5.153 12.468 1.00 0.00 H new ATOM 0 HZ PHE A 64 -0.393 6.633 12.585 1.00 0.00 H new ATOM 1061 N HIS A 71 -7.391 8.899 11.341 1.00 0.00 N ATOM 1062 CA HIS A 71 -7.956 8.201 10.194 1.00 0.00 C ATOM 1063 C HIS A 71 -8.821 9.153 9.375 1.00 0.00 C ATOM 1064 O HIS A 71 -9.794 9.713 9.881 1.00 0.00 O ATOM 1065 CB HIS A 71 -8.784 7.000 10.659 1.00 0.00 C ATOM 1066 CG HIS A 71 -8.121 5.682 10.407 1.00 0.00 C ATOM 1067 ND1 HIS A 71 -7.302 5.447 9.322 1.00 0.00 N ATOM 1068 CD2 HIS A 71 -8.155 4.523 11.106 1.00 0.00 C ATOM 1069 CE1 HIS A 71 -6.863 4.202 9.365 1.00 0.00 C ATOM 1070 NE2 HIS A 71 -7.366 3.621 10.438 1.00 0.00 N ATOM 0 HA HIS A 71 -7.141 7.840 9.567 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -8.984 7.098 11.726 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -9.748 7.015 10.151 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -8.702 4.342 12.020 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -6.205 3.739 8.645 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -7.196 2.657 10.724 1.00 0.00 H new ATOM 1079 N TYR A 72 -8.451 9.346 8.114 1.00 0.00 N ATOM 1080 CA TYR A 72 -9.186 10.248 7.235 1.00 0.00 C ATOM 1081 C TYR A 72 -9.985 9.477 6.184 1.00 0.00 C ATOM 1082 O TYR A 72 -9.406 8.841 5.304 1.00 0.00 O ATOM 1083 CB TYR A 72 -8.208 11.196 6.531 1.00 0.00 C ATOM 1084 CG TYR A 72 -8.290 12.630 7.005 1.00 0.00 C ATOM 1085 CD1 TYR A 72 -7.958 12.970 8.311 1.00 0.00 C ATOM 1086 CD2 TYR A 72 -8.693 13.645 6.144 1.00 0.00 C ATOM 1087 CE1 TYR A 72 -8.025 14.279 8.747 1.00 0.00 C ATOM 1088 CE2 TYR A 72 -8.762 14.958 6.573 1.00 0.00 C ATOM 1089 CZ TYR A 72 -8.428 15.269 7.875 1.00 0.00 C ATOM 1090 OH TYR A 72 -8.496 16.574 8.304 1.00 0.00 O ATOM 0 H TYR A 72 -7.649 8.891 7.678 1.00 0.00 H new ATOM 0 HA TYR A 72 -9.885 10.817 7.848 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -7.192 10.832 6.683 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -8.399 11.167 5.458 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -7.642 12.198 8.997 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -8.956 13.404 5.125 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -7.763 14.526 9.765 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -9.076 15.736 5.892 1.00 0.00 H new ATOM 0 HH TYR A 72 -8.796 17.146 7.567 1.00 0.00 H new ATOM 1100 N PRO A 73 -11.329 9.540 6.243 1.00 0.00 N ATOM 1101 CA PRO A 73 -12.187 8.864 5.274 1.00 0.00 C ATOM 1102 C PRO A 73 -12.225 9.637 3.961 1.00 0.00 C ATOM 1103 O PRO A 73 -12.595 10.811 3.935 1.00 0.00 O ATOM 1104 CB PRO A 73 -13.572 8.859 5.944 1.00 0.00 C ATOM 1105 CG PRO A 73 -13.374 9.450 7.305 1.00 0.00 C ATOM 1106 CD PRO A 73 -12.122 10.275 7.230 1.00 0.00 C ATOM 0 HA PRO A 73 -11.837 7.862 5.028 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -14.287 9.443 5.365 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -13.969 7.846 6.012 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -14.228 10.065 7.590 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -13.279 8.668 8.058 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -12.326 11.297 6.910 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -11.617 10.338 8.194 1.00 0.00 H new ATOM 1114 N VAL A 74 -11.815 8.989 2.878 1.00 0.00 N ATOM 1115 CA VAL A 74 -11.779 9.644 1.577 1.00 0.00 C ATOM 1116 C VAL A 74 -12.245 8.723 0.456 1.00 0.00 C ATOM 1117 O VAL A 74 -11.990 7.519 0.476 1.00 0.00 O ATOM 1118 CB VAL A 74 -10.351 10.128 1.257 1.00 0.00 C ATOM 1119 CG1 VAL A 74 -10.309 10.879 -0.064 1.00 0.00 C ATOM 1120 CG2 VAL A 74 -9.817 10.994 2.388 1.00 0.00 C ATOM 0 H VAL A 74 -11.505 8.017 2.874 1.00 0.00 H new ATOM 0 HA VAL A 74 -12.462 10.492 1.635 1.00 0.00 H new ATOM 0 HB VAL A 74 -9.710 9.251 1.161 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -9.289 11.208 -0.263 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -10.641 10.221 -0.867 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -10.966 11.747 -0.010 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -8.808 11.327 2.146 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -10.464 11.861 2.519 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -9.796 10.415 3.311 1.00 0.00 H new ATOM 1130 N SER A 75 -12.904 9.312 -0.537 1.00 0.00 N ATOM 1131 CA SER A 75 -13.381 8.563 -1.691 1.00 0.00 C ATOM 1132 C SER A 75 -12.321 8.595 -2.784 1.00 0.00 C ATOM 1133 O SER A 75 -11.743 9.645 -3.061 1.00 0.00 O ATOM 1134 CB SER A 75 -14.694 9.151 -2.211 1.00 0.00 C ATOM 1135 OG SER A 75 -15.488 9.646 -1.146 1.00 0.00 O ATOM 0 H SER A 75 -13.120 10.309 -0.564 1.00 0.00 H new ATOM 0 HA SER A 75 -13.566 7.531 -1.394 1.00 0.00 H new ATOM 0 HB2 SER A 75 -14.482 9.955 -2.915 1.00 0.00 H new ATOM 0 HB3 SER A 75 -15.247 8.387 -2.757 1.00 0.00 H new ATOM 0 HG SER A 75 -16.321 10.018 -1.504 1.00 0.00 H new ATOM 1141 N PHE A 76 -12.050 7.448 -3.390 1.00 0.00 N ATOM 1142 CA PHE A 76 -11.033 7.381 -4.433 1.00 0.00 C ATOM 1143 C PHE A 76 -11.410 6.415 -5.547 1.00 0.00 C ATOM 1144 O PHE A 76 -12.356 5.637 -5.430 1.00 0.00 O ATOM 1145 CB PHE A 76 -9.678 6.973 -3.840 1.00 0.00 C ATOM 1146 CG PHE A 76 -9.769 6.109 -2.611 1.00 0.00 C ATOM 1147 CD1 PHE A 76 -10.729 5.115 -2.509 1.00 0.00 C ATOM 1148 CD2 PHE A 76 -8.891 6.296 -1.556 1.00 0.00 C ATOM 1149 CE1 PHE A 76 -10.811 4.326 -1.377 1.00 0.00 C ATOM 1150 CE2 PHE A 76 -8.966 5.513 -0.424 1.00 0.00 C ATOM 1151 CZ PHE A 76 -9.928 4.526 -0.333 1.00 0.00 C ATOM 0 H PHE A 76 -12.512 6.562 -3.183 1.00 0.00 H new ATOM 0 HA PHE A 76 -10.961 8.379 -4.865 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -9.108 6.441 -4.601 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -9.117 7.875 -3.594 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -11.421 4.955 -3.323 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -8.137 7.066 -1.621 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -11.564 3.555 -1.309 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -8.274 5.671 0.390 1.00 0.00 H new ATOM 0 HZ PHE A 76 -9.990 3.911 0.553 1.00 0.00 H new ATOM 1161 N GLU A 77 -10.639 6.478 -6.625 1.00 0.00 N ATOM 1162 CA GLU A 77 -10.841 5.621 -7.784 1.00 0.00 C ATOM 1163 C GLU A 77 -9.681 4.641 -7.908 1.00 0.00 C ATOM 1164 O GLU A 77 -8.608 4.873 -7.348 1.00 0.00 O ATOM 1165 CB GLU A 77 -10.962 6.463 -9.058 1.00 0.00 C ATOM 1166 CG GLU A 77 -12.313 6.336 -9.743 1.00 0.00 C ATOM 1167 CD GLU A 77 -12.218 6.484 -11.250 1.00 0.00 C ATOM 1168 OE1 GLU A 77 -11.258 5.946 -11.840 1.00 0.00 O ATOM 1169 OE2 GLU A 77 -13.104 7.138 -11.840 1.00 0.00 O ATOM 0 H GLU A 77 -9.856 7.125 -6.720 1.00 0.00 H new ATOM 0 HA GLU A 77 -11.768 5.062 -7.652 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -10.786 7.510 -8.810 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -10.180 6.165 -9.756 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -12.748 5.366 -9.503 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -12.989 7.095 -9.349 1.00 0.00 H new ATOM 1176 N GLY A 78 -9.894 3.542 -8.622 1.00 0.00 N ATOM 1177 CA GLY A 78 -8.841 2.553 -8.778 1.00 0.00 C ATOM 1178 C GLY A 78 -8.298 2.463 -10.196 1.00 0.00 C ATOM 1179 O GLY A 78 -8.565 1.489 -10.898 1.00 0.00 O ATOM 0 H GLY A 78 -10.770 3.318 -9.093 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -8.023 2.794 -8.099 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -9.224 1.576 -8.481 1.00 0.00 H new ATOM 1183 N PRO A 79 -7.524 3.467 -10.653 1.00 0.00 N ATOM 1184 CA PRO A 79 -6.954 3.467 -12.003 1.00 0.00 C ATOM 1185 C PRO A 79 -5.911 2.368 -12.196 1.00 0.00 C ATOM 1186 O PRO A 79 -5.078 2.108 -11.315 1.00 0.00 O ATOM 1187 CB PRO A 79 -6.288 4.845 -12.135 1.00 0.00 C ATOM 1188 CG PRO A 79 -6.798 5.654 -10.990 1.00 0.00 C ATOM 1189 CD PRO A 79 -7.158 4.680 -9.907 1.00 0.00 C ATOM 0 HA PRO A 79 -7.723 3.279 -12.752 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -5.202 4.759 -12.100 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -6.541 5.312 -13.087 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -6.040 6.357 -10.644 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -7.666 6.242 -11.287 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -6.321 4.500 -9.233 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -7.986 5.043 -9.298 1.00 0.00 H new ATOM 1197 N GLY A 80 -5.969 1.728 -13.361 1.00 0.00 N ATOM 1198 CA GLY A 80 -5.041 0.663 -13.677 1.00 0.00 C ATOM 1199 C GLY A 80 -3.607 1.143 -13.751 1.00 0.00 C ATOM 1200 O GLY A 80 -2.754 0.670 -13.007 1.00 0.00 O ATOM 0 H GLY A 80 -6.648 1.932 -14.094 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -5.120 -0.119 -12.922 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -5.320 0.214 -14.630 1.00 0.00 H new ATOM 1204 N LEU A 81 -3.331 2.079 -14.652 1.00 0.00 N ATOM 1205 CA LEU A 81 -1.977 2.599 -14.799 1.00 0.00 C ATOM 1206 C LEU A 81 -1.910 4.100 -14.549 1.00 0.00 C ATOM 1207 O LEU A 81 -2.537 4.889 -15.256 1.00 0.00 O ATOM 1208 CB LEU A 81 -1.424 2.285 -16.185 1.00 0.00 C ATOM 1209 CG LEU A 81 0.073 1.958 -16.217 1.00 0.00 C ATOM 1210 CD1 LEU A 81 0.840 2.792 -15.202 1.00 0.00 C ATOM 1211 CD2 LEU A 81 0.300 0.475 -15.973 1.00 0.00 C ATOM 0 H LEU A 81 -4.018 2.489 -15.285 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.365 2.104 -14.045 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.976 1.441 -16.599 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -1.610 3.138 -16.838 1.00 0.00 H new ATOM 0 HG LEU A 81 0.451 2.208 -17.208 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.899 2.538 -15.248 1.00 0.00 H new ATOM 0 HD12 LEU A 81 0.711 3.850 -15.429 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.461 2.586 -14.201 1.00 0.00 H new ATOM 0 HD21 LEU A 81 1.369 0.261 -15.999 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -0.101 0.201 -14.997 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.205 -0.103 -16.747 1.00 0.00 H new ATOM 1223 N VAL A 82 -1.120 4.485 -13.553 1.00 0.00 N ATOM 1224 CA VAL A 82 -0.933 5.889 -13.218 1.00 0.00 C ATOM 1225 C VAL A 82 0.550 6.229 -13.229 1.00 0.00 C ATOM 1226 O VAL A 82 1.355 5.549 -12.591 1.00 0.00 O ATOM 1227 CB VAL A 82 -1.529 6.242 -11.838 1.00 0.00 C ATOM 1228 CG1 VAL A 82 -1.436 7.740 -11.585 1.00 0.00 C ATOM 1229 CG2 VAL A 82 -2.972 5.770 -11.748 1.00 0.00 C ATOM 0 H VAL A 82 -0.597 3.839 -12.961 1.00 0.00 H new ATOM 0 HA VAL A 82 -1.460 6.476 -13.970 1.00 0.00 H new ATOM 0 HB VAL A 82 -0.951 5.729 -11.069 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -1.861 7.971 -10.608 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -0.391 8.049 -11.609 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -1.990 8.274 -12.357 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -3.378 6.026 -10.769 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.563 6.256 -12.525 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -3.011 4.689 -11.885 1.00 0.00 H new ATOM 1239 N GLU A 83 0.913 7.271 -13.965 1.00 0.00 N ATOM 1240 CA GLU A 83 2.308 7.676 -14.063 1.00 0.00 C ATOM 1241 C GLU A 83 2.776 8.312 -12.762 1.00 0.00 C ATOM 1242 O GLU A 83 2.393 9.436 -12.433 1.00 0.00 O ATOM 1243 CB GLU A 83 2.497 8.656 -15.222 1.00 0.00 C ATOM 1244 CG GLU A 83 2.685 7.977 -16.568 1.00 0.00 C ATOM 1245 CD GLU A 83 2.538 8.938 -17.732 1.00 0.00 C ATOM 1246 OE1 GLU A 83 1.421 9.458 -17.934 1.00 0.00 O ATOM 1247 OE2 GLU A 83 3.540 9.171 -18.438 1.00 0.00 O ATOM 0 H GLU A 83 0.264 7.848 -14.500 1.00 0.00 H new ATOM 0 HA GLU A 83 2.909 6.786 -14.250 1.00 0.00 H new ATOM 0 HB2 GLU A 83 1.630 9.315 -15.275 1.00 0.00 H new ATOM 0 HB3 GLU A 83 3.363 9.285 -15.017 1.00 0.00 H new ATOM 0 HG2 GLU A 83 3.673 7.517 -16.604 1.00 0.00 H new ATOM 0 HG3 GLU A 83 1.955 7.174 -16.671 1.00 0.00 H new ATOM 1254 N VAL A 84 3.611 7.586 -12.026 1.00 0.00 N ATOM 1255 CA VAL A 84 4.135 8.082 -10.761 1.00 0.00 C ATOM 1256 C VAL A 84 5.169 9.175 -11.006 1.00 0.00 C ATOM 1257 O VAL A 84 6.237 8.922 -11.564 1.00 0.00 O ATOM 1258 CB VAL A 84 4.761 6.944 -9.914 1.00 0.00 C ATOM 1259 CG1 VAL A 84 5.621 6.031 -10.774 1.00 0.00 C ATOM 1260 CG2 VAL A 84 5.576 7.504 -8.755 1.00 0.00 C ATOM 0 H VAL A 84 3.938 6.655 -12.284 1.00 0.00 H new ATOM 0 HA VAL A 84 3.297 8.497 -10.201 1.00 0.00 H new ATOM 0 HB VAL A 84 3.942 6.355 -9.501 1.00 0.00 H new ATOM 0 HG11 VAL A 84 6.047 5.242 -10.154 1.00 0.00 H new ATOM 0 HG12 VAL A 84 5.008 5.585 -11.557 1.00 0.00 H new ATOM 0 HG13 VAL A 84 6.425 6.610 -11.228 1.00 0.00 H new ATOM 0 HG21 VAL A 84 6.002 6.682 -8.179 1.00 0.00 H new ATOM 0 HG22 VAL A 84 6.379 8.130 -9.144 1.00 0.00 H new ATOM 0 HG23 VAL A 84 4.930 8.101 -8.111 1.00 0.00 H new ATOM 1270 N GLN A 85 4.834 10.388 -10.576 1.00 0.00 N ATOM 1271 CA GLN A 85 5.716 11.539 -10.734 1.00 0.00 C ATOM 1272 C GLN A 85 6.931 11.411 -9.827 1.00 0.00 C ATOM 1273 O GLN A 85 6.856 10.799 -8.761 1.00 0.00 O ATOM 1274 CB GLN A 85 4.963 12.834 -10.421 1.00 0.00 C ATOM 1275 CG GLN A 85 5.748 14.091 -10.757 1.00 0.00 C ATOM 1276 CD GLN A 85 4.873 15.190 -11.325 1.00 0.00 C ATOM 1277 OE1 GLN A 85 3.914 15.626 -10.689 1.00 0.00 O ATOM 1278 NE2 GLN A 85 5.203 15.646 -12.528 1.00 0.00 N ATOM 0 H GLN A 85 3.951 10.600 -10.112 1.00 0.00 H new ATOM 0 HA GLN A 85 6.056 11.570 -11.769 1.00 0.00 H new ATOM 0 HB2 GLN A 85 4.025 12.842 -10.976 1.00 0.00 H new ATOM 0 HB3 GLN A 85 4.706 12.848 -9.362 1.00 0.00 H new ATOM 0 HG2 GLN A 85 6.245 14.456 -9.858 1.00 0.00 H new ATOM 0 HG3 GLN A 85 6.529 13.846 -11.476 1.00 0.00 H new ATOM 0 HE21 GLN A 85 6.007 15.255 -13.019 1.00 0.00 H new ATOM 0 HE22 GLN A 85 4.653 16.388 -12.961 1.00 0.00 H new ATOM 1287 N GLU A 86 8.052 11.980 -10.253 1.00 0.00 N ATOM 1288 CA GLU A 86 9.271 11.905 -9.464 1.00 0.00 C ATOM 1289 C GLU A 86 9.123 12.716 -8.184 1.00 0.00 C ATOM 1290 O GLU A 86 9.231 13.942 -8.191 1.00 0.00 O ATOM 1291 CB GLU A 86 10.461 12.423 -10.273 1.00 0.00 C ATOM 1292 CG GLU A 86 10.310 13.869 -10.719 1.00 0.00 C ATOM 1293 CD GLU A 86 10.432 14.032 -12.222 1.00 0.00 C ATOM 1294 OE1 GLU A 86 11.285 13.349 -12.826 1.00 0.00 O ATOM 1295 OE2 GLU A 86 9.673 14.843 -12.794 1.00 0.00 O ATOM 0 H GLU A 86 8.141 12.492 -11.130 1.00 0.00 H new ATOM 0 HA GLU A 86 9.449 10.862 -9.203 1.00 0.00 H new ATOM 0 HB2 GLU A 86 11.366 12.329 -9.673 1.00 0.00 H new ATOM 0 HB3 GLU A 86 10.594 11.792 -11.152 1.00 0.00 H new ATOM 0 HG2 GLU A 86 9.340 14.246 -10.394 1.00 0.00 H new ATOM 0 HG3 GLU A 86 11.070 14.478 -10.228 1.00 0.00 H new ATOM 1302 N SER A 87 8.875 12.015 -7.084 1.00 0.00 N ATOM 1303 CA SER A 87 8.709 12.655 -5.785 1.00 0.00 C ATOM 1304 C SER A 87 9.288 11.790 -4.672 1.00 0.00 C ATOM 1305 O SER A 87 9.514 10.595 -4.860 1.00 0.00 O ATOM 1306 CB SER A 87 7.229 12.934 -5.516 1.00 0.00 C ATOM 1307 OG SER A 87 6.907 14.288 -5.784 1.00 0.00 O ATOM 0 H SER A 87 8.784 10.999 -7.066 1.00 0.00 H new ATOM 0 HA SER A 87 9.252 13.600 -5.802 1.00 0.00 H new ATOM 0 HB2 SER A 87 6.614 12.281 -6.136 1.00 0.00 H new ATOM 0 HB3 SER A 87 6.995 12.700 -4.477 1.00 0.00 H new ATOM 0 HG SER A 87 5.955 14.439 -5.606 1.00 0.00 H new ATOM 1313 N GLU A 88 9.507 12.398 -3.510 1.00 0.00 N ATOM 1314 CA GLU A 88 10.042 11.685 -2.354 1.00 0.00 C ATOM 1315 C GLU A 88 11.341 10.950 -2.700 1.00 0.00 C ATOM 1316 O GLU A 88 12.433 11.470 -2.475 1.00 0.00 O ATOM 1317 CB GLU A 88 8.994 10.705 -1.813 1.00 0.00 C ATOM 1318 CG GLU A 88 9.286 10.218 -0.404 1.00 0.00 C ATOM 1319 CD GLU A 88 8.039 9.755 0.324 1.00 0.00 C ATOM 1320 OE1 GLU A 88 7.511 8.680 -0.030 1.00 0.00 O ATOM 1321 OE2 GLU A 88 7.591 10.467 1.247 1.00 0.00 O ATOM 0 H GLU A 88 9.321 13.387 -3.343 1.00 0.00 H new ATOM 0 HA GLU A 88 10.277 12.417 -1.582 1.00 0.00 H new ATOM 0 HB2 GLU A 88 8.017 11.188 -1.826 1.00 0.00 H new ATOM 0 HB3 GLU A 88 8.934 9.845 -2.480 1.00 0.00 H new ATOM 0 HG2 GLU A 88 10.002 9.397 -0.448 1.00 0.00 H new ATOM 0 HG3 GLU A 88 9.756 11.021 0.164 1.00 0.00 H new ATOM 1328 N TYR A 89 11.217 9.743 -3.245 1.00 0.00 N ATOM 1329 CA TYR A 89 12.380 8.945 -3.620 1.00 0.00 C ATOM 1330 C TYR A 89 12.044 7.999 -4.769 1.00 0.00 C ATOM 1331 O TYR A 89 12.722 6.991 -4.974 1.00 0.00 O ATOM 1332 CB TYR A 89 12.882 8.141 -2.416 1.00 0.00 C ATOM 1333 CG TYR A 89 11.772 7.573 -1.557 1.00 0.00 C ATOM 1334 CD1 TYR A 89 10.693 6.907 -2.128 1.00 0.00 C ATOM 1335 CD2 TYR A 89 11.804 7.704 -0.175 1.00 0.00 C ATOM 1336 CE1 TYR A 89 9.679 6.389 -1.346 1.00 0.00 C ATOM 1337 CE2 TYR A 89 10.792 7.189 0.614 1.00 0.00 C ATOM 1338 CZ TYR A 89 9.733 6.533 0.025 1.00 0.00 C ATOM 1339 OH TYR A 89 8.725 6.020 0.807 1.00 0.00 O ATOM 0 H TYR A 89 10.321 9.296 -3.437 1.00 0.00 H new ATOM 0 HA TYR A 89 13.165 9.626 -3.950 1.00 0.00 H new ATOM 0 HB2 TYR A 89 13.508 7.323 -2.772 1.00 0.00 H new ATOM 0 HB3 TYR A 89 13.514 8.782 -1.801 1.00 0.00 H new ATOM 0 HD1 TYR A 89 10.647 6.793 -3.201 1.00 0.00 H new ATOM 0 HD2 TYR A 89 12.633 8.216 0.291 1.00 0.00 H new ATOM 0 HE1 TYR A 89 8.848 5.874 -1.805 1.00 0.00 H new ATOM 0 HE2 TYR A 89 10.831 7.300 1.688 1.00 0.00 H new ATOM 0 HH TYR A 89 7.985 6.661 0.850 1.00 0.00 H new ATOM 1349 N TYR A 90 10.991 8.325 -5.515 1.00 0.00 N ATOM 1350 CA TYR A 90 10.564 7.501 -6.637 1.00 0.00 C ATOM 1351 C TYR A 90 10.686 8.272 -7.951 1.00 0.00 C ATOM 1352 O TYR A 90 10.149 9.369 -8.080 1.00 0.00 O ATOM 1353 CB TYR A 90 9.117 7.046 -6.431 1.00 0.00 C ATOM 1354 CG TYR A 90 8.788 5.734 -7.106 1.00 0.00 C ATOM 1355 CD1 TYR A 90 8.814 5.617 -8.489 1.00 0.00 C ATOM 1356 CD2 TYR A 90 8.449 4.612 -6.359 1.00 0.00 C ATOM 1357 CE1 TYR A 90 8.512 4.422 -9.110 1.00 0.00 C ATOM 1358 CE2 TYR A 90 8.145 3.412 -6.973 1.00 0.00 C ATOM 1359 CZ TYR A 90 8.178 3.323 -8.349 1.00 0.00 C ATOM 1360 OH TYR A 90 7.874 2.131 -8.967 1.00 0.00 O ATOM 0 H TYR A 90 10.419 9.155 -5.360 1.00 0.00 H new ATOM 0 HA TYR A 90 11.212 6.626 -6.688 1.00 0.00 H new ATOM 0 HB2 TYR A 90 8.924 6.952 -5.362 1.00 0.00 H new ATOM 0 HB3 TYR A 90 8.446 7.817 -6.810 1.00 0.00 H new ATOM 0 HD1 TYR A 90 9.075 6.476 -9.089 1.00 0.00 H new ATOM 0 HD2 TYR A 90 8.423 4.679 -5.281 1.00 0.00 H new ATOM 0 HE1 TYR A 90 8.537 4.349 -10.187 1.00 0.00 H new ATOM 0 HE2 TYR A 90 7.883 2.549 -6.379 1.00 0.00 H new ATOM 0 HH TYR A 90 8.643 1.831 -9.495 1.00 0.00 H new ATOM 1370 N PRO A 91 11.401 7.706 -8.946 1.00 0.00 N ATOM 1371 CA PRO A 91 11.592 8.349 -10.252 1.00 0.00 C ATOM 1372 C PRO A 91 10.332 8.316 -11.114 1.00 0.00 C ATOM 1373 O PRO A 91 9.532 7.388 -11.021 1.00 0.00 O ATOM 1374 CB PRO A 91 12.705 7.521 -10.895 1.00 0.00 C ATOM 1375 CG PRO A 91 12.586 6.174 -10.272 1.00 0.00 C ATOM 1376 CD PRO A 91 12.081 6.398 -8.871 1.00 0.00 C ATOM 0 HA PRO A 91 11.832 9.407 -10.151 1.00 0.00 H new ATOM 0 HB2 PRO A 91 12.584 7.468 -11.977 1.00 0.00 H new ATOM 0 HB3 PRO A 91 13.685 7.960 -10.705 1.00 0.00 H new ATOM 0 HG2 PRO A 91 11.899 5.544 -10.837 1.00 0.00 H new ATOM 0 HG3 PRO A 91 13.550 5.664 -10.261 1.00 0.00 H new ATOM 0 HD2 PRO A 91 11.396 5.608 -8.562 1.00 0.00 H new ATOM 0 HD3 PRO A 91 12.898 6.413 -8.149 1.00 0.00 H new ATOM 1384 N LYS A 92 10.162 9.342 -11.947 1.00 0.00 N ATOM 1385 CA LYS A 92 8.997 9.445 -12.827 1.00 0.00 C ATOM 1386 C LYS A 92 8.818 8.181 -13.668 1.00 0.00 C ATOM 1387 O LYS A 92 9.279 8.111 -14.807 1.00 0.00 O ATOM 1388 CB LYS A 92 9.136 10.662 -13.743 1.00 0.00 C ATOM 1389 CG LYS A 92 7.928 10.889 -14.638 1.00 0.00 C ATOM 1390 CD LYS A 92 7.217 12.191 -14.299 1.00 0.00 C ATOM 1391 CE LYS A 92 7.671 13.326 -15.203 1.00 0.00 C ATOM 1392 NZ LYS A 92 6.526 14.154 -15.674 1.00 0.00 N ATOM 0 H LYS A 92 10.819 10.117 -12.031 1.00 0.00 H new ATOM 0 HA LYS A 92 8.114 9.561 -12.199 1.00 0.00 H new ATOM 0 HB2 LYS A 92 9.297 11.550 -13.132 1.00 0.00 H new ATOM 0 HB3 LYS A 92 10.022 10.538 -14.366 1.00 0.00 H new ATOM 0 HG2 LYS A 92 8.245 10.908 -15.681 1.00 0.00 H new ATOM 0 HG3 LYS A 92 7.233 10.056 -14.531 1.00 0.00 H new ATOM 0 HD2 LYS A 92 6.140 12.055 -14.397 1.00 0.00 H new ATOM 0 HD3 LYS A 92 7.412 12.453 -13.259 1.00 0.00 H new ATOM 0 HE2 LYS A 92 8.378 13.957 -14.665 1.00 0.00 H new ATOM 0 HE3 LYS A 92 8.200 12.915 -16.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 6.886 14.983 -16.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 5.925 13.588 -16.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 5.966 14.470 -14.856 1.00 0.00 H new ATOM 1406 N ARG A 93 8.149 7.184 -13.096 1.00 0.00 N ATOM 1407 CA ARG A 93 7.913 5.918 -13.788 1.00 0.00 C ATOM 1408 C ARG A 93 6.424 5.579 -13.856 1.00 0.00 C ATOM 1409 O ARG A 93 5.573 6.372 -13.455 1.00 0.00 O ATOM 1410 CB ARG A 93 8.669 4.785 -13.094 1.00 0.00 C ATOM 1411 CG ARG A 93 10.150 5.071 -12.905 1.00 0.00 C ATOM 1412 CD ARG A 93 10.985 3.806 -13.028 1.00 0.00 C ATOM 1413 NE ARG A 93 11.110 3.362 -14.416 1.00 0.00 N ATOM 1414 CZ ARG A 93 10.354 2.414 -14.970 1.00 0.00 C ATOM 1415 NH1 ARG A 93 9.407 1.804 -14.266 1.00 0.00 N ATOM 1416 NH2 ARG A 93 10.544 2.077 -16.237 1.00 0.00 N ATOM 0 H ARG A 93 7.760 7.227 -12.154 1.00 0.00 H new ATOM 0 HA ARG A 93 8.281 6.030 -14.808 1.00 0.00 H new ATOM 0 HB2 ARG A 93 8.216 4.599 -12.120 1.00 0.00 H new ATOM 0 HB3 ARG A 93 8.555 3.872 -13.678 1.00 0.00 H new ATOM 0 HG2 ARG A 93 10.478 5.798 -13.648 1.00 0.00 H new ATOM 0 HG3 ARG A 93 10.312 5.521 -11.925 1.00 0.00 H new ATOM 0 HD2 ARG A 93 11.977 3.986 -12.615 1.00 0.00 H new ATOM 0 HD3 ARG A 93 10.531 3.013 -12.434 1.00 0.00 H new ATOM 0 HE ARG A 93 11.821 3.806 -14.997 1.00 0.00 H new ATOM 0 HH11 ARG A 93 9.252 2.060 -13.291 1.00 0.00 H new ATOM 0 HH12 ARG A 93 8.835 1.080 -14.701 1.00 0.00 H new ATOM 0 HH21 ARG A 93 11.267 2.542 -16.786 1.00 0.00 H new ATOM 0 HH22 ARG A 93 9.967 1.352 -16.664 1.00 0.00 H new ATOM 1430 N TYR A 94 6.125 4.386 -14.367 1.00 0.00 N ATOM 1431 CA TYR A 94 4.748 3.915 -14.490 1.00 0.00 C ATOM 1432 C TYR A 94 4.402 2.951 -13.355 1.00 0.00 C ATOM 1433 O TYR A 94 5.167 2.035 -13.055 1.00 0.00 O ATOM 1434 CB TYR A 94 4.545 3.229 -15.840 1.00 0.00 C ATOM 1435 CG TYR A 94 4.243 4.195 -16.961 1.00 0.00 C ATOM 1436 CD1 TYR A 94 5.257 4.921 -17.568 1.00 0.00 C ATOM 1437 CD2 TYR A 94 2.942 4.384 -17.406 1.00 0.00 C ATOM 1438 CE1 TYR A 94 4.985 5.810 -18.588 1.00 0.00 C ATOM 1439 CE2 TYR A 94 2.659 5.269 -18.426 1.00 0.00 C ATOM 1440 CZ TYR A 94 3.684 5.981 -19.015 1.00 0.00 C ATOM 1441 OH TYR A 94 3.407 6.864 -20.032 1.00 0.00 O ATOM 0 H TYR A 94 6.824 3.724 -14.705 1.00 0.00 H new ATOM 0 HA TYR A 94 4.084 4.777 -14.425 1.00 0.00 H new ATOM 0 HB2 TYR A 94 5.442 2.662 -16.090 1.00 0.00 H new ATOM 0 HB3 TYR A 94 3.728 2.513 -15.757 1.00 0.00 H new ATOM 0 HD1 TYR A 94 6.276 4.788 -17.237 1.00 0.00 H new ATOM 0 HD2 TYR A 94 2.138 3.829 -16.946 1.00 0.00 H new ATOM 0 HE1 TYR A 94 5.786 6.369 -19.049 1.00 0.00 H new ATOM 0 HE2 TYR A 94 1.641 5.404 -18.761 1.00 0.00 H new ATOM 0 HH TYR A 94 3.512 7.782 -19.706 1.00 0.00 H new ATOM 1451 N GLN A 95 3.250 3.167 -12.723 1.00 0.00 N ATOM 1452 CA GLN A 95 2.813 2.315 -11.616 1.00 0.00 C ATOM 1453 C GLN A 95 1.419 1.752 -11.873 1.00 0.00 C ATOM 1454 O GLN A 95 0.466 2.503 -12.081 1.00 0.00 O ATOM 1455 CB GLN A 95 2.823 3.104 -10.305 1.00 0.00 C ATOM 1456 CG GLN A 95 2.669 2.231 -9.070 1.00 0.00 C ATOM 1457 CD GLN A 95 3.944 2.142 -8.255 1.00 0.00 C ATOM 1458 OE1 GLN A 95 3.928 2.303 -7.035 1.00 0.00 O ATOM 1459 NE2 GLN A 95 5.060 1.881 -8.928 1.00 0.00 N ATOM 0 H GLN A 95 2.604 3.921 -12.956 1.00 0.00 H new ATOM 0 HA GLN A 95 3.510 1.481 -11.538 1.00 0.00 H new ATOM 0 HB2 GLN A 95 3.757 3.661 -10.232 1.00 0.00 H new ATOM 0 HB3 GLN A 95 2.016 3.837 -10.325 1.00 0.00 H new ATOM 0 HG2 GLN A 95 1.870 2.630 -8.445 1.00 0.00 H new ATOM 0 HG3 GLN A 95 2.366 1.229 -9.374 1.00 0.00 H new ATOM 0 HE21 GLN A 95 5.028 1.755 -9.940 1.00 0.00 H new ATOM 0 HE22 GLN A 95 5.949 1.807 -8.433 1.00 0.00 H new ATOM 1468 N SER A 96 1.304 0.425 -11.866 1.00 0.00 N ATOM 1469 CA SER A 96 0.023 -0.232 -12.112 1.00 0.00 C ATOM 1470 C SER A 96 -0.743 -0.504 -10.816 1.00 0.00 C ATOM 1471 O SER A 96 -0.159 -0.571 -9.734 1.00 0.00 O ATOM 1472 CB SER A 96 0.242 -1.542 -12.869 1.00 0.00 C ATOM 1473 OG SER A 96 -0.994 -2.138 -13.226 1.00 0.00 O ATOM 0 H SER A 96 2.080 -0.214 -11.693 1.00 0.00 H new ATOM 0 HA SER A 96 -0.580 0.446 -12.716 1.00 0.00 H new ATOM 0 HB2 SER A 96 0.831 -1.353 -13.767 1.00 0.00 H new ATOM 0 HB3 SER A 96 0.816 -2.231 -12.250 1.00 0.00 H new ATOM 0 HG SER A 96 -0.827 -2.973 -13.710 1.00 0.00 H new ATOM 1479 N HIS A 97 -2.058 -0.670 -10.949 1.00 0.00 N ATOM 1480 CA HIS A 97 -2.937 -0.948 -9.816 1.00 0.00 C ATOM 1481 C HIS A 97 -2.734 0.056 -8.681 1.00 0.00 C ATOM 1482 O HIS A 97 -2.380 -0.321 -7.563 1.00 0.00 O ATOM 1483 CB HIS A 97 -2.707 -2.376 -9.312 1.00 0.00 C ATOM 1484 CG HIS A 97 -3.906 -3.262 -9.461 1.00 0.00 C ATOM 1485 ND1 HIS A 97 -4.260 -3.853 -10.656 1.00 0.00 N ATOM 1486 CD2 HIS A 97 -4.834 -3.657 -8.558 1.00 0.00 C ATOM 1487 CE1 HIS A 97 -5.355 -4.574 -10.480 1.00 0.00 C ATOM 1488 NE2 HIS A 97 -5.722 -4.471 -9.217 1.00 0.00 N ATOM 0 H HIS A 97 -2.543 -0.615 -11.845 1.00 0.00 H new ATOM 0 HA HIS A 97 -3.966 -0.849 -10.160 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -1.871 -2.815 -9.856 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -2.420 -2.340 -8.261 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -4.869 -3.383 -7.514 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -5.862 -5.149 -11.241 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -6.534 -4.923 -8.798 1.00 0.00 H new ATOM 1497 N VAL A 98 -2.971 1.336 -8.963 1.00 0.00 N ATOM 1498 CA VAL A 98 -2.818 2.368 -7.940 1.00 0.00 C ATOM 1499 C VAL A 98 -4.104 3.172 -7.771 1.00 0.00 C ATOM 1500 O VAL A 98 -4.740 3.544 -8.752 1.00 0.00 O ATOM 1501 CB VAL A 98 -1.633 3.314 -8.253 1.00 0.00 C ATOM 1502 CG1 VAL A 98 -1.943 4.232 -9.420 1.00 0.00 C ATOM 1503 CG2 VAL A 98 -1.257 4.133 -7.031 1.00 0.00 C ATOM 0 H VAL A 98 -3.265 1.680 -9.877 1.00 0.00 H new ATOM 0 HA VAL A 98 -2.602 1.857 -7.002 1.00 0.00 H new ATOM 0 HB VAL A 98 -0.786 2.688 -8.532 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -1.088 4.881 -9.610 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -2.149 3.635 -10.308 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -2.815 4.841 -9.182 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -0.422 4.790 -7.276 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -2.111 4.733 -6.718 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -0.967 3.465 -6.220 1.00 0.00 H new ATOM 1513 N LEU A 99 -4.477 3.433 -6.522 1.00 0.00 N ATOM 1514 CA LEU A 99 -5.685 4.195 -6.221 1.00 0.00 C ATOM 1515 C LEU A 99 -5.327 5.627 -5.848 1.00 0.00 C ATOM 1516 O LEU A 99 -4.262 5.878 -5.286 1.00 0.00 O ATOM 1517 CB LEU A 99 -6.454 3.542 -5.069 1.00 0.00 C ATOM 1518 CG LEU A 99 -7.099 2.194 -5.393 1.00 0.00 C ATOM 1519 CD1 LEU A 99 -6.078 1.073 -5.274 1.00 0.00 C ATOM 1520 CD2 LEU A 99 -8.287 1.938 -4.474 1.00 0.00 C ATOM 0 H LEU A 99 -3.958 3.127 -5.699 1.00 0.00 H new ATOM 0 HA LEU A 99 -6.315 4.204 -7.110 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -5.772 3.407 -4.230 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -7.233 4.229 -4.739 1.00 0.00 H new ATOM 0 HG LEU A 99 -7.460 2.221 -6.421 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -6.554 0.121 -5.508 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -5.260 1.251 -5.972 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -5.687 1.043 -4.257 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -8.735 0.975 -4.718 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -7.950 1.930 -3.437 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -9.027 2.727 -4.608 1.00 0.00 H new ATOM 1532 N LEU A 100 -6.215 6.566 -6.157 1.00 0.00 N ATOM 1533 CA LEU A 100 -5.961 7.964 -5.839 1.00 0.00 C ATOM 1534 C LEU A 100 -7.172 8.626 -5.185 1.00 0.00 C ATOM 1535 O LEU A 100 -8.307 8.465 -5.638 1.00 0.00 O ATOM 1536 CB LEU A 100 -5.529 8.728 -7.088 1.00 0.00 C ATOM 1537 CG LEU A 100 -4.013 8.898 -7.218 1.00 0.00 C ATOM 1538 CD1 LEU A 100 -3.648 9.468 -8.574 1.00 0.00 C ATOM 1539 CD2 LEU A 100 -3.483 9.792 -6.108 1.00 0.00 C ATOM 0 H LEU A 100 -7.105 6.387 -6.621 1.00 0.00 H new ATOM 0 HA LEU A 100 -5.147 7.995 -5.115 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -5.903 8.206 -7.969 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -5.996 9.713 -7.079 1.00 0.00 H new ATOM 0 HG LEU A 100 -3.551 7.915 -7.126 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -2.566 9.580 -8.642 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -3.993 8.793 -9.357 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -4.122 10.442 -8.699 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -2.404 9.903 -6.214 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -3.957 10.772 -6.172 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -3.708 9.343 -5.141 1.00 0.00 H new ATOM 1551 N ALA A 101 -6.909 9.366 -4.106 1.00 0.00 N ATOM 1552 CA ALA A 101 -7.959 10.056 -3.360 1.00 0.00 C ATOM 1553 C ALA A 101 -7.655 11.542 -3.216 1.00 0.00 C ATOM 1554 O ALA A 101 -6.647 11.919 -2.622 1.00 0.00 O ATOM 1555 CB ALA A 101 -8.108 9.433 -1.981 1.00 0.00 C ATOM 0 H ALA A 101 -5.971 9.502 -3.729 1.00 0.00 H new ATOM 0 HA ALA A 101 -8.890 9.950 -3.917 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -8.892 9.952 -1.430 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -8.372 8.381 -2.084 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -7.166 9.519 -1.439 1.00 0.00 H new ATOM 1561 N THR A 102 -8.537 12.383 -3.740 1.00 0.00 N ATOM 1562 CA THR A 102 -8.351 13.824 -3.642 1.00 0.00 C ATOM 1563 C THR A 102 -8.922 14.352 -2.328 1.00 0.00 C ATOM 1564 O THR A 102 -10.135 14.344 -2.117 1.00 0.00 O ATOM 1565 CB THR A 102 -9.005 14.532 -4.829 1.00 0.00 C ATOM 1566 OG1 THR A 102 -9.080 15.928 -4.601 1.00 0.00 O ATOM 1567 CG2 THR A 102 -10.406 14.040 -5.126 1.00 0.00 C ATOM 0 H THR A 102 -9.382 12.095 -4.234 1.00 0.00 H new ATOM 0 HA THR A 102 -7.281 14.032 -3.662 1.00 0.00 H new ATOM 0 HB THR A 102 -8.370 14.304 -5.685 1.00 0.00 H new ATOM 0 HG1 THR A 102 -9.500 16.363 -5.372 1.00 0.00 H new ATOM 0 HG21 THR A 102 -10.810 14.585 -5.979 1.00 0.00 H new ATOM 0 HG22 THR A 102 -10.376 12.975 -5.357 1.00 0.00 H new ATOM 0 HG23 THR A 102 -11.042 14.205 -4.256 1.00 0.00 H new ATOM 1575 N GLY A 103 -8.035 14.803 -1.446 1.00 0.00 N ATOM 1576 CA GLY A 103 -8.459 15.324 -0.158 1.00 0.00 C ATOM 1577 C GLY A 103 -8.989 16.741 -0.250 1.00 0.00 C ATOM 1578 O GLY A 103 -9.808 17.050 -1.116 1.00 0.00 O ATOM 0 H GLY A 103 -7.027 14.817 -1.601 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -9.232 14.677 0.255 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -7.618 15.299 0.535 1.00 0.00 H new ATOM 1678 N GLY A 112 2.157 5.194 5.089 1.00 0.00 N ATOM 1679 CA GLY A 112 1.010 4.536 5.687 1.00 0.00 C ATOM 1680 C GLY A 112 0.324 3.579 4.730 1.00 0.00 C ATOM 1681 O GLY A 112 0.779 3.384 3.603 1.00 0.00 O ATOM 0 HA2 GLY A 112 1.330 3.990 6.574 1.00 0.00 H new ATOM 0 HA3 GLY A 112 0.295 5.289 6.017 1.00 0.00 H new ATOM 1685 N ILE A 113 -0.772 2.980 5.182 1.00 0.00 N ATOM 1686 CA ILE A 113 -1.525 2.040 4.363 1.00 0.00 C ATOM 1687 C ILE A 113 -2.994 2.442 4.273 1.00 0.00 C ATOM 1688 O ILE A 113 -3.556 2.987 5.225 1.00 0.00 O ATOM 1689 CB ILE A 113 -1.428 0.601 4.915 1.00 0.00 C ATOM 1690 CG1 ILE A 113 -2.057 0.516 6.307 1.00 0.00 C ATOM 1691 CG2 ILE A 113 0.025 0.146 4.956 1.00 0.00 C ATOM 1692 CD1 ILE A 113 -2.015 -0.873 6.906 1.00 0.00 C ATOM 0 H ILE A 113 -1.159 3.130 6.114 1.00 0.00 H new ATOM 0 HA ILE A 113 -1.082 2.067 3.367 1.00 0.00 H new ATOM 0 HB ILE A 113 -1.980 -0.063 4.249 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -1.539 1.206 6.973 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -3.094 0.847 6.249 1.00 0.00 H new ATOM 0 HG21 ILE A 113 0.077 -0.870 5.347 1.00 0.00 H new ATOM 0 HG22 ILE A 113 0.442 0.169 3.949 1.00 0.00 H new ATOM 0 HG23 ILE A 113 0.597 0.813 5.601 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -2.478 -0.858 7.893 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -2.558 -1.564 6.261 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -0.979 -1.199 6.997 1.00 0.00 H new ATOM 1704 N LEU A 114 -3.612 2.170 3.129 1.00 0.00 N ATOM 1705 CA LEU A 114 -5.016 2.503 2.922 1.00 0.00 C ATOM 1706 C LEU A 114 -5.904 1.369 3.420 1.00 0.00 C ATOM 1707 O LEU A 114 -5.855 0.253 2.900 1.00 0.00 O ATOM 1708 CB LEU A 114 -5.286 2.773 1.438 1.00 0.00 C ATOM 1709 CG LEU A 114 -6.762 2.835 1.033 1.00 0.00 C ATOM 1710 CD1 LEU A 114 -7.555 3.703 1.998 1.00 0.00 C ATOM 1711 CD2 LEU A 114 -6.898 3.354 -0.390 1.00 0.00 C ATOM 0 H LEU A 114 -3.163 1.720 2.331 1.00 0.00 H new ATOM 0 HA LEU A 114 -5.247 3.405 3.488 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -4.814 3.717 1.167 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -4.799 1.994 0.851 1.00 0.00 H new ATOM 0 HG LEU A 114 -7.171 1.825 1.076 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -8.600 3.731 1.688 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -7.485 3.287 3.003 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -7.149 4.715 1.995 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -7.952 3.393 -0.664 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -6.469 4.354 -0.455 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -6.370 2.688 -1.072 1.00 0.00 H new ATOM 1723 N ARG A 115 -6.704 1.655 4.442 1.00 0.00 N ATOM 1724 CA ARG A 115 -7.587 0.651 5.021 1.00 0.00 C ATOM 1725 C ARG A 115 -9.055 1.042 4.888 1.00 0.00 C ATOM 1726 O ARG A 115 -9.415 2.219 4.965 1.00 0.00 O ATOM 1727 CB ARG A 115 -7.242 0.436 6.496 1.00 0.00 C ATOM 1728 CG ARG A 115 -6.024 -0.446 6.715 1.00 0.00 C ATOM 1729 CD ARG A 115 -6.023 -1.063 8.105 1.00 0.00 C ATOM 1730 NE ARG A 115 -4.743 -0.881 8.784 1.00 0.00 N ATOM 1731 CZ ARG A 115 -4.437 -1.440 9.954 1.00 0.00 C ATOM 1732 NH1 ARG A 115 -5.316 -2.215 10.576 1.00 0.00 N ATOM 1733 NH2 ARG A 115 -3.250 -1.221 10.502 1.00 0.00 N ATOM 0 H ARG A 115 -6.759 2.572 4.885 1.00 0.00 H new ATOM 0 HA ARG A 115 -7.436 -0.276 4.469 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -7.067 1.405 6.964 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -8.099 -0.011 6.999 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -6.007 -1.237 5.965 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -5.118 0.143 6.577 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -6.817 -0.614 8.702 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -6.245 -2.127 8.029 1.00 0.00 H new ATOM 0 HE ARG A 115 -4.042 -0.291 8.336 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -6.231 -2.385 10.159 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -5.077 -2.641 11.472 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -2.572 -0.625 10.028 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -3.015 -1.649 11.398 1.00 0.00 H new ATOM 1747 N CYS A 116 -9.899 0.032 4.706 1.00 0.00 N ATOM 1748 CA CYS A 116 -11.335 0.233 4.581 1.00 0.00 C ATOM 1749 C CYS A 116 -12.042 -0.347 5.799 1.00 0.00 C ATOM 1750 O CYS A 116 -11.457 -1.130 6.548 1.00 0.00 O ATOM 1751 CB CYS A 116 -11.854 -0.437 3.305 1.00 0.00 C ATOM 1752 SG CYS A 116 -13.543 0.057 2.826 1.00 0.00 S ATOM 0 H CYS A 116 -9.607 -0.943 4.641 1.00 0.00 H new ATOM 0 HA CYS A 116 -11.540 1.302 4.522 1.00 0.00 H new ATOM 0 HB2 CYS A 116 -11.174 -0.204 2.485 1.00 0.00 H new ATOM 0 HB3 CYS A 116 -11.830 -1.518 3.442 1.00 0.00 H new ATOM 0 HG CYS A 116 -14.375 -0.897 3.123 1.00 0.00 H new ATOM 1757 N GLU A 117 -13.301 0.027 5.994 1.00 0.00 N ATOM 1758 CA GLU A 117 -14.071 -0.476 7.125 1.00 0.00 C ATOM 1759 C GLU A 117 -14.096 -2.005 7.131 1.00 0.00 C ATOM 1760 O GLU A 117 -14.389 -2.625 8.153 1.00 0.00 O ATOM 1761 CB GLU A 117 -15.500 0.069 7.078 1.00 0.00 C ATOM 1762 CG GLU A 117 -15.602 1.540 7.448 1.00 0.00 C ATOM 1763 CD GLU A 117 -16.118 1.752 8.858 1.00 0.00 C ATOM 1764 OE1 GLU A 117 -15.449 1.297 9.809 1.00 0.00 O ATOM 1765 OE2 GLU A 117 -17.191 2.373 9.011 1.00 0.00 O ATOM 0 H GLU A 117 -13.808 0.672 5.388 1.00 0.00 H new ATOM 0 HA GLU A 117 -13.589 -0.135 8.041 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -15.902 -0.074 6.075 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -16.124 -0.512 7.757 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -14.621 2.004 7.351 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -16.264 2.043 6.743 1.00 0.00 H new ATOM 1772 N HIS A 118 -13.791 -2.606 5.982 1.00 0.00 N ATOM 1773 CA HIS A 118 -13.782 -4.057 5.855 1.00 0.00 C ATOM 1774 C HIS A 118 -12.398 -4.638 6.151 1.00 0.00 C ATOM 1775 O HIS A 118 -12.285 -5.718 6.730 1.00 0.00 O ATOM 1776 CB HIS A 118 -14.234 -4.460 4.451 1.00 0.00 C ATOM 1777 CG HIS A 118 -15.582 -3.924 4.082 1.00 0.00 C ATOM 1778 ND1 HIS A 118 -15.800 -2.607 3.737 1.00 0.00 N ATOM 1779 CD2 HIS A 118 -16.789 -4.533 4.005 1.00 0.00 C ATOM 1780 CE1 HIS A 118 -17.079 -2.427 3.464 1.00 0.00 C ATOM 1781 NE2 HIS A 118 -17.702 -3.581 3.620 1.00 0.00 N ATOM 0 H HIS A 118 -13.547 -2.107 5.126 1.00 0.00 H new ATOM 0 HA HIS A 118 -14.477 -4.464 6.590 1.00 0.00 H new ATOM 0 HB2 HIS A 118 -13.500 -4.107 3.726 1.00 0.00 H new ATOM 0 HB3 HIS A 118 -14.253 -5.548 4.382 1.00 0.00 H new ATOM 0 HD2 HIS A 118 -16.996 -5.573 4.208 1.00 0.00 H new ATOM 0 HE1 HIS A 118 -17.537 -1.496 3.165 1.00 0.00 H new ATOM 0 HE2 HIS A 118 -18.699 -3.740 3.478 1.00 0.00 H new ATOM 1789 N GLY A 119 -11.345 -3.921 5.753 1.00 0.00 N ATOM 1790 CA GLY A 119 -9.993 -4.404 5.993 1.00 0.00 C ATOM 1791 C GLY A 119 -8.921 -3.529 5.370 1.00 0.00 C ATOM 1792 O GLY A 119 -9.006 -2.302 5.401 1.00 0.00 O ATOM 0 H GLY A 119 -11.404 -3.023 5.273 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -9.822 -4.465 7.068 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -9.901 -5.416 5.598 1.00 0.00 H new ATOM 1796 N VAL A 120 -7.902 -4.177 4.814 1.00 0.00 N ATOM 1797 CA VAL A 120 -6.783 -3.483 4.181 1.00 0.00 C ATOM 1798 C VAL A 120 -6.952 -3.408 2.666 1.00 0.00 C ATOM 1799 O VAL A 120 -7.313 -4.393 2.024 1.00 0.00 O ATOM 1800 CB VAL A 120 -5.442 -4.184 4.481 1.00 0.00 C ATOM 1801 CG1 VAL A 120 -4.278 -3.268 4.157 1.00 0.00 C ATOM 1802 CG2 VAL A 120 -5.376 -4.650 5.928 1.00 0.00 C ATOM 0 H VAL A 120 -7.828 -5.194 4.789 1.00 0.00 H new ATOM 0 HA VAL A 120 -6.775 -2.476 4.598 1.00 0.00 H new ATOM 0 HB VAL A 120 -5.374 -5.066 3.844 1.00 0.00 H new ATOM 0 HG11 VAL A 120 -3.341 -3.780 4.375 1.00 0.00 H new ATOM 0 HG12 VAL A 120 -4.308 -3.001 3.101 1.00 0.00 H new ATOM 0 HG13 VAL A 120 -4.347 -2.364 4.762 1.00 0.00 H new ATOM 0 HG21 VAL A 120 -4.419 -5.140 6.109 1.00 0.00 H new ATOM 0 HG22 VAL A 120 -5.475 -3.791 6.592 1.00 0.00 H new ATOM 0 HG23 VAL A 120 -6.186 -5.353 6.121 1.00 0.00 H new ATOM 1812 N ILE A 121 -6.679 -2.237 2.098 1.00 0.00 N ATOM 1813 CA ILE A 121 -6.787 -2.048 0.655 1.00 0.00 C ATOM 1814 C ILE A 121 -5.412 -2.093 -0.005 1.00 0.00 C ATOM 1815 O ILE A 121 -5.111 -3.005 -0.774 1.00 0.00 O ATOM 1816 CB ILE A 121 -7.455 -0.706 0.301 1.00 0.00 C ATOM 1817 CG1 ILE A 121 -8.806 -0.570 1.027 1.00 0.00 C ATOM 1818 CG2 ILE A 121 -7.605 -0.575 -1.214 1.00 0.00 C ATOM 1819 CD1 ILE A 121 -10.014 -0.468 0.115 1.00 0.00 C ATOM 0 H ILE A 121 -6.382 -1.408 2.613 1.00 0.00 H new ATOM 0 HA ILE A 121 -7.407 -2.863 0.281 1.00 0.00 H new ATOM 0 HB ILE A 121 -6.820 0.112 0.641 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -8.937 -1.430 1.684 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -8.773 0.315 1.662 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -8.078 0.378 -1.452 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -6.622 -0.618 -1.682 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -8.222 -1.391 -1.590 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -10.918 -0.376 0.717 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -9.913 0.408 -0.525 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -10.080 -1.363 -0.503 1.00 0.00 H new ATOM 1831 N GLY A 122 -4.585 -1.094 0.295 1.00 0.00 N ATOM 1832 CA GLY A 122 -3.257 -1.035 -0.288 1.00 0.00 C ATOM 1833 C GLY A 122 -2.250 -0.323 0.597 1.00 0.00 C ATOM 1834 O GLY A 122 -2.503 -0.093 1.780 1.00 0.00 O ATOM 0 H GLY A 122 -4.811 -0.328 0.929 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -2.907 -2.049 -0.484 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -3.311 -0.525 -1.250 1.00 0.00 H new ATOM 1838 N LEU A 123 -1.103 0.025 0.017 1.00 0.00 N ATOM 1839 CA LEU A 123 -0.045 0.714 0.751 1.00 0.00 C ATOM 1840 C LEU A 123 0.263 2.069 0.118 1.00 0.00 C ATOM 1841 O LEU A 123 -0.126 2.336 -1.015 1.00 0.00 O ATOM 1842 CB LEU A 123 1.221 -0.144 0.787 1.00 0.00 C ATOM 1843 CG LEU A 123 1.688 -0.667 -0.572 1.00 0.00 C ATOM 1844 CD1 LEU A 123 3.203 -0.790 -0.605 1.00 0.00 C ATOM 1845 CD2 LEU A 123 1.036 -2.006 -0.879 1.00 0.00 C ATOM 0 H LEU A 123 -0.883 -0.160 -0.962 1.00 0.00 H new ATOM 0 HA LEU A 123 -0.393 0.880 1.771 1.00 0.00 H new ATOM 0 HB2 LEU A 123 2.026 0.442 1.230 1.00 0.00 H new ATOM 0 HB3 LEU A 123 1.046 -0.995 1.446 1.00 0.00 H new ATOM 0 HG LEU A 123 1.386 0.047 -1.338 1.00 0.00 H new ATOM 0 HD11 LEU A 123 3.517 -1.164 -1.580 1.00 0.00 H new ATOM 0 HD12 LEU A 123 3.651 0.188 -0.430 1.00 0.00 H new ATOM 0 HD13 LEU A 123 3.529 -1.483 0.171 1.00 0.00 H new ATOM 0 HD21 LEU A 123 1.379 -2.364 -1.850 1.00 0.00 H new ATOM 0 HD22 LEU A 123 1.308 -2.728 -0.109 1.00 0.00 H new ATOM 0 HD23 LEU A 123 -0.047 -1.887 -0.899 1.00 0.00 H new ATOM 1857 N VAL A 124 0.960 2.922 0.863 1.00 0.00 N ATOM 1858 CA VAL A 124 1.313 4.252 0.376 1.00 0.00 C ATOM 1859 C VAL A 124 2.203 4.184 -0.864 1.00 0.00 C ATOM 1860 O VAL A 124 3.341 3.719 -0.798 1.00 0.00 O ATOM 1861 CB VAL A 124 2.034 5.072 1.466 1.00 0.00 C ATOM 1862 CG1 VAL A 124 3.345 4.408 1.860 1.00 0.00 C ATOM 1863 CG2 VAL A 124 2.270 6.500 0.993 1.00 0.00 C ATOM 0 H VAL A 124 1.291 2.716 1.805 1.00 0.00 H new ATOM 0 HA VAL A 124 0.377 4.743 0.111 1.00 0.00 H new ATOM 0 HB VAL A 124 1.395 5.107 2.348 1.00 0.00 H new ATOM 0 HG11 VAL A 124 3.837 5.003 2.630 1.00 0.00 H new ATOM 0 HG12 VAL A 124 3.145 3.409 2.246 1.00 0.00 H new ATOM 0 HG13 VAL A 124 3.993 4.337 0.987 1.00 0.00 H new ATOM 0 HG21 VAL A 124 2.779 7.063 1.775 1.00 0.00 H new ATOM 0 HG22 VAL A 124 2.886 6.488 0.094 1.00 0.00 H new ATOM 0 HG23 VAL A 124 1.313 6.972 0.771 1.00 0.00 H new ATOM 1873 N THR A 125 1.680 4.666 -1.990 1.00 0.00 N ATOM 1874 CA THR A 125 2.433 4.677 -3.240 1.00 0.00 C ATOM 1875 C THR A 125 2.890 6.102 -3.563 1.00 0.00 C ATOM 1876 O THR A 125 3.943 6.537 -3.097 1.00 0.00 O ATOM 1877 CB THR A 125 1.590 4.087 -4.379 1.00 0.00 C ATOM 1878 OG1 THR A 125 1.511 2.680 -4.258 1.00 0.00 O ATOM 1879 CG2 THR A 125 2.130 4.392 -5.762 1.00 0.00 C ATOM 0 H THR A 125 0.739 5.053 -2.061 1.00 0.00 H new ATOM 0 HA THR A 125 3.320 4.054 -3.128 1.00 0.00 H new ATOM 0 HB THR A 125 0.612 4.558 -4.281 1.00 0.00 H new ATOM 0 HG1 THR A 125 2.415 2.301 -4.251 1.00 0.00 H new ATOM 0 HG21 THR A 125 1.481 3.942 -6.513 1.00 0.00 H new ATOM 0 HG22 THR A 125 2.163 5.471 -5.910 1.00 0.00 H new ATOM 0 HG23 THR A 125 3.135 3.982 -5.859 1.00 0.00 H new ATOM 1887 N MET A 126 2.100 6.836 -4.350 1.00 0.00 N ATOM 1888 CA MET A 126 2.456 8.209 -4.694 1.00 0.00 C ATOM 1889 C MET A 126 1.598 9.203 -3.918 1.00 0.00 C ATOM 1890 O MET A 126 0.519 8.862 -3.439 1.00 0.00 O ATOM 1891 CB MET A 126 2.304 8.445 -6.197 1.00 0.00 C ATOM 1892 CG MET A 126 3.618 8.759 -6.893 1.00 0.00 C ATOM 1893 SD MET A 126 4.259 10.392 -6.472 1.00 0.00 S ATOM 1894 CE MET A 126 5.854 9.961 -5.779 1.00 0.00 C ATOM 0 H MET A 126 1.223 6.507 -4.754 1.00 0.00 H new ATOM 0 HA MET A 126 3.499 8.364 -4.419 1.00 0.00 H new ATOM 0 HB2 MET A 126 1.862 7.560 -6.654 1.00 0.00 H new ATOM 0 HB3 MET A 126 1.609 9.269 -6.360 1.00 0.00 H new ATOM 0 HG2 MET A 126 4.356 8.003 -6.624 1.00 0.00 H new ATOM 0 HG3 MET A 126 3.477 8.696 -7.972 1.00 0.00 H new ATOM 0 HE1 MET A 126 6.001 10.498 -4.842 1.00 0.00 H new ATOM 0 HE2 MET A 126 5.891 8.888 -5.592 1.00 0.00 H new ATOM 0 HE3 MET A 126 6.642 10.235 -6.481 1.00 0.00 H new ATOM 1904 N GLY A 127 2.086 10.433 -3.796 1.00 0.00 N ATOM 1905 CA GLY A 127 1.351 11.456 -3.077 1.00 0.00 C ATOM 1906 C GLY A 127 1.342 12.784 -3.808 1.00 0.00 C ATOM 1907 O GLY A 127 2.356 13.480 -3.856 1.00 0.00 O ATOM 0 H GLY A 127 2.979 10.739 -4.183 1.00 0.00 H new ATOM 0 HA2 GLY A 127 0.325 11.122 -2.924 1.00 0.00 H new ATOM 0 HA3 GLY A 127 1.793 11.591 -2.090 1.00 0.00 H new ATOM 1911 N GLY A 128 0.195 13.136 -4.379 1.00 0.00 N ATOM 1912 CA GLY A 128 0.082 14.387 -5.106 1.00 0.00 C ATOM 1913 C GLY A 128 -0.093 15.579 -4.185 1.00 0.00 C ATOM 1914 O GLY A 128 -0.102 15.432 -2.963 1.00 0.00 O ATOM 0 H GLY A 128 -0.658 12.578 -4.351 1.00 0.00 H new ATOM 0 HA2 GLY A 128 0.974 14.531 -5.716 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -0.766 14.332 -5.789 1.00 0.00 H new ATOM 1918 N GLU A 129 -0.233 16.763 -4.773 1.00 0.00 N ATOM 1919 CA GLU A 129 -0.410 17.984 -3.996 1.00 0.00 C ATOM 1920 C GLU A 129 -1.798 18.036 -3.360 1.00 0.00 C ATOM 1921 O GLU A 129 -2.024 18.778 -2.405 1.00 0.00 O ATOM 1922 CB GLU A 129 -0.197 19.213 -4.882 1.00 0.00 C ATOM 1923 CG GLU A 129 1.072 19.151 -5.714 1.00 0.00 C ATOM 1924 CD GLU A 129 0.874 19.678 -7.121 1.00 0.00 C ATOM 1925 OE1 GLU A 129 0.429 20.836 -7.265 1.00 0.00 O ATOM 1926 OE2 GLU A 129 1.164 18.932 -8.081 1.00 0.00 O ATOM 0 H GLU A 129 -0.227 16.902 -5.783 1.00 0.00 H new ATOM 0 HA GLU A 129 0.333 17.984 -3.198 1.00 0.00 H new ATOM 0 HB2 GLU A 129 -1.053 19.323 -5.548 1.00 0.00 H new ATOM 0 HB3 GLU A 129 -0.166 20.103 -4.253 1.00 0.00 H new ATOM 0 HG2 GLU A 129 1.854 19.728 -5.221 1.00 0.00 H new ATOM 0 HG3 GLU A 129 1.420 18.119 -5.762 1.00 0.00 H new ATOM 1933 N GLY A 130 -2.722 17.244 -3.896 1.00 0.00 N ATOM 1934 CA GLY A 130 -4.073 17.218 -3.363 1.00 0.00 C ATOM 1935 C GLY A 130 -4.750 15.872 -3.545 1.00 0.00 C ATOM 1936 O GLY A 130 -5.972 15.769 -3.440 1.00 0.00 O ATOM 0 H GLY A 130 -2.560 16.621 -4.688 1.00 0.00 H new ATOM 0 HA2 GLY A 130 -4.045 17.465 -2.302 1.00 0.00 H new ATOM 0 HA3 GLY A 130 -4.668 17.988 -3.854 1.00 0.00 H new ATOM 1940 N VAL A 131 -3.957 14.837 -3.814 1.00 0.00 N ATOM 1941 CA VAL A 131 -4.493 13.493 -4.007 1.00 0.00 C ATOM 1942 C VAL A 131 -3.637 12.458 -3.282 1.00 0.00 C ATOM 1943 O VAL A 131 -2.466 12.703 -2.992 1.00 0.00 O ATOM 1944 CB VAL A 131 -4.593 13.116 -5.502 1.00 0.00 C ATOM 1945 CG1 VAL A 131 -5.749 12.155 -5.731 1.00 0.00 C ATOM 1946 CG2 VAL A 131 -4.751 14.357 -6.370 1.00 0.00 C ATOM 0 H VAL A 131 -2.943 14.904 -3.903 1.00 0.00 H new ATOM 0 HA VAL A 131 -5.499 13.495 -3.587 1.00 0.00 H new ATOM 0 HB VAL A 131 -3.665 12.620 -5.789 1.00 0.00 H new ATOM 0 HG11 VAL A 131 -5.806 11.899 -6.789 1.00 0.00 H new ATOM 0 HG12 VAL A 131 -5.590 11.249 -5.147 1.00 0.00 H new ATOM 0 HG13 VAL A 131 -6.681 12.627 -5.421 1.00 0.00 H new ATOM 0 HG21 VAL A 131 -4.819 14.062 -7.417 1.00 0.00 H new ATOM 0 HG22 VAL A 131 -5.658 14.889 -6.083 1.00 0.00 H new ATOM 0 HG23 VAL A 131 -3.889 15.010 -6.232 1.00 0.00 H new ATOM 1956 N VAL A 132 -4.230 11.306 -2.983 1.00 0.00 N ATOM 1957 CA VAL A 132 -3.520 10.242 -2.279 1.00 0.00 C ATOM 1958 C VAL A 132 -3.312 9.033 -3.183 1.00 0.00 C ATOM 1959 O VAL A 132 -4.273 8.408 -3.618 1.00 0.00 O ATOM 1960 CB VAL A 132 -4.296 9.774 -1.027 1.00 0.00 C ATOM 1961 CG1 VAL A 132 -3.365 9.076 -0.052 1.00 0.00 C ATOM 1962 CG2 VAL A 132 -5.014 10.931 -0.343 1.00 0.00 C ATOM 0 H VAL A 132 -5.198 11.085 -3.216 1.00 0.00 H new ATOM 0 HA VAL A 132 -2.558 10.657 -1.979 1.00 0.00 H new ATOM 0 HB VAL A 132 -5.055 9.065 -1.358 1.00 0.00 H new ATOM 0 HG11 VAL A 132 -3.930 8.754 0.823 1.00 0.00 H new ATOM 0 HG12 VAL A 132 -2.917 8.207 -0.535 1.00 0.00 H new ATOM 0 HG13 VAL A 132 -2.579 9.765 0.257 1.00 0.00 H new ATOM 0 HG21 VAL A 132 -5.548 10.561 0.532 1.00 0.00 H new ATOM 0 HG22 VAL A 132 -4.285 11.680 -0.034 1.00 0.00 H new ATOM 0 HG23 VAL A 132 -5.724 11.380 -1.038 1.00 0.00 H new ATOM 1972 N GLY A 133 -2.053 8.695 -3.443 1.00 0.00 N ATOM 1973 CA GLY A 133 -1.749 7.549 -4.284 1.00 0.00 C ATOM 1974 C GLY A 133 -1.454 6.307 -3.463 1.00 0.00 C ATOM 1975 O GLY A 133 -0.518 6.294 -2.665 1.00 0.00 O ATOM 0 H GLY A 133 -1.237 9.193 -3.087 1.00 0.00 H new ATOM 0 HA2 GLY A 133 -2.590 7.353 -4.949 1.00 0.00 H new ATOM 0 HA3 GLY A 133 -0.891 7.779 -4.915 1.00 0.00 H new ATOM 1979 N PHE A 134 -2.261 5.266 -3.645 1.00 0.00 N ATOM 1980 CA PHE A 134 -2.081 4.026 -2.895 1.00 0.00 C ATOM 1981 C PHE A 134 -1.949 2.815 -3.814 1.00 0.00 C ATOM 1982 O PHE A 134 -2.609 2.729 -4.847 1.00 0.00 O ATOM 1983 CB PHE A 134 -3.262 3.815 -1.944 1.00 0.00 C ATOM 1984 CG PHE A 134 -3.210 4.681 -0.720 1.00 0.00 C ATOM 1985 CD1 PHE A 134 -2.109 4.650 0.116 1.00 0.00 C ATOM 1986 CD2 PHE A 134 -4.263 5.527 -0.408 1.00 0.00 C ATOM 1987 CE1 PHE A 134 -2.055 5.446 1.243 1.00 0.00 C ATOM 1988 CE2 PHE A 134 -4.215 6.325 0.718 1.00 0.00 C ATOM 1989 CZ PHE A 134 -3.108 6.285 1.545 1.00 0.00 C ATOM 0 H PHE A 134 -3.042 5.255 -4.301 1.00 0.00 H new ATOM 0 HA PHE A 134 -1.155 4.120 -2.328 1.00 0.00 H new ATOM 0 HB2 PHE A 134 -4.190 4.014 -2.481 1.00 0.00 H new ATOM 0 HB3 PHE A 134 -3.289 2.769 -1.638 1.00 0.00 H new ATOM 0 HD1 PHE A 134 -1.282 3.996 -0.115 1.00 0.00 H new ATOM 0 HD2 PHE A 134 -5.129 5.562 -1.052 1.00 0.00 H new ATOM 0 HE1 PHE A 134 -1.189 5.412 1.888 1.00 0.00 H new ATOM 0 HE2 PHE A 134 -5.041 6.980 0.952 1.00 0.00 H new ATOM 0 HZ PHE A 134 -3.067 6.909 2.426 1.00 0.00 H new ATOM 1999 N ALA A 135 -1.109 1.867 -3.411 1.00 0.00 N ATOM 2000 CA ALA A 135 -0.911 0.642 -4.173 1.00 0.00 C ATOM 2001 C ALA A 135 -1.839 -0.442 -3.641 1.00 0.00 C ATOM 2002 O ALA A 135 -1.676 -0.911 -2.515 1.00 0.00 O ATOM 2003 CB ALA A 135 0.541 0.196 -4.095 1.00 0.00 C ATOM 0 H ALA A 135 -0.553 1.925 -2.558 1.00 0.00 H new ATOM 0 HA ALA A 135 -1.148 0.828 -5.221 1.00 0.00 H new ATOM 0 HB1 ALA A 135 0.671 -0.721 -4.670 1.00 0.00 H new ATOM 0 HB2 ALA A 135 1.184 0.975 -4.504 1.00 0.00 H new ATOM 0 HB3 ALA A 135 0.810 0.013 -3.055 1.00 0.00 H new ATOM 2009 N ASP A 136 -2.829 -0.816 -4.442 1.00 0.00 N ATOM 2010 CA ASP A 136 -3.807 -1.818 -4.031 1.00 0.00 C ATOM 2011 C ASP A 136 -3.185 -3.202 -3.882 1.00 0.00 C ATOM 2012 O ASP A 136 -2.332 -3.607 -4.671 1.00 0.00 O ATOM 2013 CB ASP A 136 -4.955 -1.876 -5.041 1.00 0.00 C ATOM 2014 CG ASP A 136 -6.316 -1.819 -4.374 1.00 0.00 C ATOM 2015 OD1 ASP A 136 -6.392 -2.089 -3.157 1.00 0.00 O ATOM 2016 OD2 ASP A 136 -7.305 -1.507 -5.069 1.00 0.00 O ATOM 0 H ASP A 136 -2.977 -0.442 -5.379 1.00 0.00 H new ATOM 0 HA ASP A 136 -4.187 -1.518 -3.054 1.00 0.00 H new ATOM 0 HB2 ASP A 136 -4.862 -1.046 -5.741 1.00 0.00 H new ATOM 0 HB3 ASP A 136 -4.877 -2.794 -5.623 1.00 0.00 H new ATOM 2021 N VAL A 137 -3.647 -3.927 -2.864 1.00 0.00 N ATOM 2022 CA VAL A 137 -3.172 -5.278 -2.596 1.00 0.00 C ATOM 2023 C VAL A 137 -4.031 -6.305 -3.337 1.00 0.00 C ATOM 2024 O VAL A 137 -3.947 -7.506 -3.081 1.00 0.00 O ATOM 2025 CB VAL A 137 -3.198 -5.585 -1.082 1.00 0.00 C ATOM 2026 CG1 VAL A 137 -2.565 -6.937 -0.785 1.00 0.00 C ATOM 2027 CG2 VAL A 137 -2.496 -4.483 -0.303 1.00 0.00 C ATOM 0 H VAL A 137 -4.355 -3.596 -2.209 1.00 0.00 H new ATOM 0 HA VAL A 137 -2.143 -5.343 -2.951 1.00 0.00 H new ATOM 0 HB VAL A 137 -4.240 -5.626 -0.764 1.00 0.00 H new ATOM 0 HG11 VAL A 137 -2.597 -7.126 0.288 1.00 0.00 H new ATOM 0 HG12 VAL A 137 -3.115 -7.719 -1.308 1.00 0.00 H new ATOM 0 HG13 VAL A 137 -1.528 -6.935 -1.122 1.00 0.00 H new ATOM 0 HG21 VAL A 137 -2.524 -4.716 0.762 1.00 0.00 H new ATOM 0 HG22 VAL A 137 -1.459 -4.409 -0.631 1.00 0.00 H new ATOM 0 HG23 VAL A 137 -3.001 -3.534 -0.480 1.00 0.00 H new ATOM 2037 N ARG A 138 -4.857 -5.819 -4.264 1.00 0.00 N ATOM 2038 CA ARG A 138 -5.733 -6.679 -5.048 1.00 0.00 C ATOM 2039 C ARG A 138 -4.943 -7.505 -6.063 1.00 0.00 C ATOM 2040 O ARG A 138 -5.498 -8.379 -6.727 1.00 0.00 O ATOM 2041 CB ARG A 138 -6.787 -5.832 -5.765 1.00 0.00 C ATOM 2042 CG ARG A 138 -7.573 -4.920 -4.832 1.00 0.00 C ATOM 2043 CD ARG A 138 -8.430 -5.719 -3.863 1.00 0.00 C ATOM 2044 NE ARG A 138 -9.797 -5.882 -4.348 1.00 0.00 N ATOM 2045 CZ ARG A 138 -10.737 -4.944 -4.250 1.00 0.00 C ATOM 2046 NH1 ARG A 138 -10.461 -3.774 -3.687 1.00 0.00 N ATOM 2047 NH2 ARG A 138 -11.955 -5.176 -4.716 1.00 0.00 N ATOM 0 H ARG A 138 -4.935 -4.827 -4.489 1.00 0.00 H new ATOM 0 HA ARG A 138 -6.226 -7.372 -4.366 1.00 0.00 H new ATOM 0 HB2 ARG A 138 -6.297 -5.224 -6.526 1.00 0.00 H new ATOM 0 HB3 ARG A 138 -7.481 -6.493 -6.284 1.00 0.00 H new ATOM 0 HG2 ARG A 138 -6.883 -4.288 -4.273 1.00 0.00 H new ATOM 0 HG3 ARG A 138 -8.208 -4.257 -5.419 1.00 0.00 H new ATOM 0 HD2 ARG A 138 -7.982 -6.700 -3.707 1.00 0.00 H new ATOM 0 HD3 ARG A 138 -8.446 -5.218 -2.895 1.00 0.00 H new ATOM 0 HE ARG A 138 -10.047 -6.767 -4.788 1.00 0.00 H new ATOM 0 HH11 ARG A 138 -9.525 -3.590 -3.327 1.00 0.00 H new ATOM 0 HH12 ARG A 138 -11.185 -3.059 -3.615 1.00 0.00 H new ATOM 0 HH21 ARG A 138 -12.173 -6.073 -5.150 1.00 0.00 H new ATOM 0 HH22 ARG A 138 -12.675 -4.458 -4.641 1.00 0.00 H new ATOM 2061 N ASP A 139 -3.646 -7.225 -6.182 1.00 0.00 N ATOM 2062 CA ASP A 139 -2.794 -7.948 -7.118 1.00 0.00 C ATOM 2063 C ASP A 139 -2.048 -9.095 -6.433 1.00 0.00 C ATOM 2064 O ASP A 139 -1.185 -9.728 -7.041 1.00 0.00 O ATOM 2065 CB ASP A 139 -1.791 -6.991 -7.767 1.00 0.00 C ATOM 2066 CG ASP A 139 -0.986 -6.216 -6.742 1.00 0.00 C ATOM 2067 OD1 ASP A 139 -1.584 -5.728 -5.760 1.00 0.00 O ATOM 2068 OD2 ASP A 139 0.245 -6.096 -6.923 1.00 0.00 O ATOM 0 H ASP A 139 -3.166 -6.505 -5.643 1.00 0.00 H new ATOM 0 HA ASP A 139 -3.438 -8.377 -7.886 1.00 0.00 H new ATOM 0 HB2 ASP A 139 -1.113 -7.558 -8.405 1.00 0.00 H new ATOM 0 HB3 ASP A 139 -2.324 -6.292 -8.411 1.00 0.00 H new ATOM 2073 N LEU A 140 -2.383 -9.367 -5.172 1.00 0.00 N ATOM 2074 CA LEU A 140 -1.737 -10.444 -4.431 1.00 0.00 C ATOM 2075 C LEU A 140 -2.440 -10.667 -3.101 1.00 0.00 C ATOM 2076 O LEU A 140 -1.815 -11.002 -2.100 1.00 0.00 O ATOM 2077 CB LEU A 140 -0.243 -10.145 -4.216 1.00 0.00 C ATOM 2078 CG LEU A 140 0.102 -8.932 -3.333 1.00 0.00 C ATOM 2079 CD1 LEU A 140 -0.858 -7.779 -3.567 1.00 0.00 C ATOM 2080 CD2 LEU A 140 0.115 -9.319 -1.863 1.00 0.00 C ATOM 0 H LEU A 140 -3.094 -8.858 -4.647 1.00 0.00 H new ATOM 0 HA LEU A 140 -1.813 -11.358 -5.020 1.00 0.00 H new ATOM 0 HB2 LEU A 140 0.220 -11.028 -3.776 1.00 0.00 H new ATOM 0 HB3 LEU A 140 0.218 -9.996 -5.193 1.00 0.00 H new ATOM 0 HG LEU A 140 1.101 -8.598 -3.615 1.00 0.00 H new ATOM 0 HD11 LEU A 140 -0.583 -6.941 -2.926 1.00 0.00 H new ATOM 0 HD12 LEU A 140 -0.807 -7.470 -4.611 1.00 0.00 H new ATOM 0 HD13 LEU A 140 -1.874 -8.098 -3.332 1.00 0.00 H new ATOM 0 HD21 LEU A 140 0.361 -8.446 -1.259 1.00 0.00 H new ATOM 0 HD22 LEU A 140 -0.868 -9.693 -1.577 1.00 0.00 H new ATOM 0 HD23 LEU A 140 0.861 -10.096 -1.698 1.00 0.00 H new ATOM 2092 N LEU A 141 -3.753 -10.474 -3.110 1.00 0.00 N ATOM 2093 CA LEU A 141 -4.571 -10.636 -1.916 1.00 0.00 C ATOM 2094 C LEU A 141 -4.451 -12.034 -1.307 1.00 0.00 C ATOM 2095 O LEU A 141 -4.859 -12.253 -0.167 1.00 0.00 O ATOM 2096 CB LEU A 141 -6.029 -10.331 -2.243 1.00 0.00 C ATOM 2097 CG LEU A 141 -6.688 -9.337 -1.291 1.00 0.00 C ATOM 2098 CD1 LEU A 141 -6.407 -9.721 0.143 1.00 0.00 C ATOM 2099 CD2 LEU A 141 -6.199 -7.925 -1.562 1.00 0.00 C ATOM 0 H LEU A 141 -4.278 -10.202 -3.941 1.00 0.00 H new ATOM 0 HA LEU A 141 -4.201 -9.931 -1.172 1.00 0.00 H new ATOM 0 HB2 LEU A 141 -6.088 -9.938 -3.258 1.00 0.00 H new ATOM 0 HB3 LEU A 141 -6.596 -11.262 -2.228 1.00 0.00 H new ATOM 0 HG LEU A 141 -7.765 -9.365 -1.459 1.00 0.00 H new ATOM 0 HD11 LEU A 141 -6.883 -9.004 0.812 1.00 0.00 H new ATOM 0 HD12 LEU A 141 -6.804 -10.717 0.337 1.00 0.00 H new ATOM 0 HD13 LEU A 141 -5.331 -9.720 0.316 1.00 0.00 H new ATOM 0 HD21 LEU A 141 -6.682 -7.234 -0.872 1.00 0.00 H new ATOM 0 HD22 LEU A 141 -5.119 -7.881 -1.423 1.00 0.00 H new ATOM 0 HD23 LEU A 141 -6.444 -7.645 -2.587 1.00 0.00 H new ATOM 2111 N TRP A 142 -3.902 -12.979 -2.063 1.00 0.00 N ATOM 2112 CA TRP A 142 -3.749 -14.348 -1.576 1.00 0.00 C ATOM 2113 C TRP A 142 -2.849 -14.415 -0.339 1.00 0.00 C ATOM 2114 O TRP A 142 -1.687 -14.815 -0.423 1.00 0.00 O ATOM 2115 CB TRP A 142 -3.195 -15.262 -2.679 1.00 0.00 C ATOM 2116 CG TRP A 142 -2.020 -14.690 -3.417 1.00 0.00 C ATOM 2117 CD1 TRP A 142 -2.045 -13.730 -4.388 1.00 0.00 C ATOM 2118 CD2 TRP A 142 -0.647 -15.060 -3.255 1.00 0.00 C ATOM 2119 NE1 TRP A 142 -0.771 -13.469 -4.827 1.00 0.00 N ATOM 2120 CE2 TRP A 142 0.106 -14.273 -4.148 1.00 0.00 C ATOM 2121 CE3 TRP A 142 0.022 -15.974 -2.438 1.00 0.00 C ATOM 2122 CZ2 TRP A 142 1.490 -14.376 -4.246 1.00 0.00 C ATOM 2123 CZ3 TRP A 142 1.398 -16.075 -2.536 1.00 0.00 C ATOM 2124 CH2 TRP A 142 2.118 -15.279 -3.433 1.00 0.00 C ATOM 0 H TRP A 142 -3.557 -12.825 -3.010 1.00 0.00 H new ATOM 0 HA TRP A 142 -4.741 -14.698 -1.290 1.00 0.00 H new ATOM 0 HB2 TRP A 142 -2.903 -16.214 -2.235 1.00 0.00 H new ATOM 0 HB3 TRP A 142 -3.990 -15.475 -3.393 1.00 0.00 H new ATOM 0 HD1 TRP A 142 -2.937 -13.246 -4.757 1.00 0.00 H new ATOM 0 HE1 TRP A 142 -0.518 -12.787 -5.542 1.00 0.00 H new ATOM 0 HE3 TRP A 142 -0.526 -16.591 -1.742 1.00 0.00 H new ATOM 0 HZ2 TRP A 142 2.049 -13.765 -4.939 1.00 0.00 H new ATOM 0 HZ3 TRP A 142 1.925 -16.780 -1.910 1.00 0.00 H new ATOM 0 HH2 TRP A 142 3.192 -15.380 -3.485 1.00 0.00 H new ATOM 2135 N LEU A 143 -3.407 -14.043 0.814 1.00 0.00 N ATOM 2136 CA LEU A 143 -2.677 -14.080 2.082 1.00 0.00 C ATOM 2137 C LEU A 143 -3.562 -14.663 3.178 1.00 0.00 C ATOM 2138 O LEU A 143 -3.173 -15.599 3.876 1.00 0.00 O ATOM 2139 CB LEU A 143 -2.210 -12.681 2.506 1.00 0.00 C ATOM 2140 CG LEU A 143 -1.215 -11.985 1.571 1.00 0.00 C ATOM 2141 CD1 LEU A 143 -1.959 -11.114 0.583 1.00 0.00 C ATOM 2142 CD2 LEU A 143 -0.224 -11.150 2.368 1.00 0.00 C ATOM 0 H LEU A 143 -4.368 -13.711 0.896 1.00 0.00 H new ATOM 0 HA LEU A 143 -1.799 -14.709 1.936 1.00 0.00 H new ATOM 0 HB2 LEU A 143 -3.088 -12.043 2.607 1.00 0.00 H new ATOM 0 HB3 LEU A 143 -1.756 -12.757 3.494 1.00 0.00 H new ATOM 0 HG LEU A 143 -0.659 -12.747 1.025 1.00 0.00 H new ATOM 0 HD11 LEU A 143 -1.245 -10.623 -0.078 1.00 0.00 H new ATOM 0 HD12 LEU A 143 -2.636 -11.731 -0.008 1.00 0.00 H new ATOM 0 HD13 LEU A 143 -2.533 -10.360 1.122 1.00 0.00 H new ATOM 0 HD21 LEU A 143 0.474 -10.664 1.686 1.00 0.00 H new ATOM 0 HD22 LEU A 143 -0.762 -10.392 2.937 1.00 0.00 H new ATOM 0 HD23 LEU A 143 0.327 -11.795 3.052 1.00 0.00 H new ATOM 2154 N GLU A 144 -4.755 -14.093 3.323 1.00 0.00 N ATOM 2155 CA GLU A 144 -5.706 -14.542 4.334 1.00 0.00 C ATOM 2156 C GLU A 144 -7.138 -14.438 3.811 1.00 0.00 C ATOM 2157 O GLU A 144 -7.360 -14.317 2.606 1.00 0.00 O ATOM 2158 CB GLU A 144 -5.548 -13.707 5.607 1.00 0.00 C ATOM 2159 CG GLU A 144 -5.503 -14.531 6.883 1.00 0.00 C ATOM 2160 CD GLU A 144 -4.481 -15.650 6.822 1.00 0.00 C ATOM 2161 OE1 GLU A 144 -3.355 -15.400 6.347 1.00 0.00 O ATOM 2162 OE2 GLU A 144 -4.809 -16.777 7.252 1.00 0.00 O ATOM 0 H GLU A 144 -5.086 -13.317 2.751 1.00 0.00 H new ATOM 0 HA GLU A 144 -5.500 -15.587 4.565 1.00 0.00 H new ATOM 0 HB2 GLU A 144 -4.633 -13.120 5.533 1.00 0.00 H new ATOM 0 HB3 GLU A 144 -6.376 -13.001 5.671 1.00 0.00 H new ATOM 0 HG2 GLU A 144 -5.271 -13.878 7.724 1.00 0.00 H new ATOM 0 HG3 GLU A 144 -6.489 -14.955 7.072 1.00 0.00 H new ATOM 2169 N ASP A 145 -8.105 -14.483 4.722 1.00 0.00 N ATOM 2170 CA ASP A 145 -9.512 -14.392 4.349 1.00 0.00 C ATOM 2171 C ASP A 145 -9.843 -13.001 3.816 1.00 0.00 C ATOM 2172 O ASP A 145 -9.292 -12.001 4.276 1.00 0.00 O ATOM 2173 CB ASP A 145 -10.402 -14.718 5.549 1.00 0.00 C ATOM 2174 CG ASP A 145 -10.178 -16.124 6.069 1.00 0.00 C ATOM 2175 OD1 ASP A 145 -9.034 -16.438 6.457 1.00 0.00 O ATOM 2176 OD2 ASP A 145 -11.148 -16.911 6.088 1.00 0.00 O ATOM 0 H ASP A 145 -7.940 -14.582 5.724 1.00 0.00 H new ATOM 0 HA ASP A 145 -9.701 -15.119 3.559 1.00 0.00 H new ATOM 0 HB2 ASP A 145 -10.207 -14.003 6.348 1.00 0.00 H new ATOM 0 HB3 ASP A 145 -11.448 -14.601 5.265 1.00 0.00 H new ATOM 2181 N ASP A 146 -10.746 -12.946 2.842 1.00 0.00 N ATOM 2182 CA ASP A 146 -11.152 -11.678 2.244 1.00 0.00 C ATOM 2183 C ASP A 146 -12.537 -11.263 2.731 1.00 0.00 C ATOM 2184 O ASP A 146 -13.349 -12.105 3.114 1.00 0.00 O ATOM 2185 CB ASP A 146 -11.147 -11.787 0.718 1.00 0.00 C ATOM 2186 CG ASP A 146 -11.881 -13.019 0.224 1.00 0.00 C ATOM 2187 OD1 ASP A 146 -13.121 -13.067 0.360 1.00 0.00 O ATOM 2188 OD2 ASP A 146 -11.214 -13.937 -0.299 1.00 0.00 O ATOM 0 H ASP A 146 -11.211 -13.765 2.450 1.00 0.00 H new ATOM 0 HA ASP A 146 -10.437 -10.915 2.551 1.00 0.00 H new ATOM 0 HB2 ASP A 146 -11.609 -10.897 0.291 1.00 0.00 H new ATOM 0 HB3 ASP A 146 -10.117 -11.814 0.362 1.00 0.00 H new ATOM 2193 N ALA A 147 -12.800 -9.959 2.713 1.00 0.00 N ATOM 2194 CA ALA A 147 -14.088 -9.434 3.152 1.00 0.00 C ATOM 2195 C ALA A 147 -15.148 -9.609 2.071 1.00 0.00 C ATOM 2196 O ALA A 147 -15.001 -9.105 0.958 1.00 0.00 O ATOM 2197 CB ALA A 147 -13.957 -7.969 3.535 1.00 0.00 C ATOM 0 H ALA A 147 -12.139 -9.248 2.400 1.00 0.00 H new ATOM 0 HA ALA A 147 -14.404 -9.999 4.029 1.00 0.00 H new ATOM 0 HB1 ALA A 147 -14.926 -7.590 3.861 1.00 0.00 H new ATOM 0 HB2 ALA A 147 -13.236 -7.868 4.347 1.00 0.00 H new ATOM 0 HB3 ALA A 147 -13.615 -7.397 2.673 1.00 0.00 H new