USER MOD reduce.3.24.130724 H: found=0, std=0, add=582, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 583 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 28 ASN : amide:sc= -1.34 K(o=-0.99,f=-15!) USER MOD Set 1.2: A 80 THR OG1 : rot 180:sc= -0.88 USER MOD Set 1.3: A 84 LYS NZ :NH3+ -150:sc= 1.24 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= -1.42 K(o=-1.4,f=-4.1!) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot -111:sc= 1.14 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 GLN : amide:sc= -1.96 K(o=-2,f=-7.2!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -0.851 X(o=-0.85,f=-0.8) USER MOD Single : A 69 TYR OH : rot 15:sc= 0.00693 USER MOD Single : A 72 CYS SG : rot -80:sc= -3.69! USER MOD Single : A 76 GLN : amide:sc= -2.13 K(o=-2.1,f=-2.8!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 123:sc= 0.182 USER MOD Single : A 88 GLN : amide:sc= -0.0726 K(o=-0.073,f=-0.91) USER MOD ----------------------------------------------------------------- ATOM 103 N VAL A 11 -1.225 -8.162 -7.697 1.00 0.00 N ATOM 104 CA VAL A 11 -0.871 -9.160 -6.695 1.00 0.00 C ATOM 105 C VAL A 11 -0.100 -8.529 -5.540 1.00 0.00 C ATOM 106 O VAL A 11 0.333 -7.379 -5.625 1.00 0.00 O ATOM 107 CB VAL A 11 -0.024 -10.293 -7.303 1.00 0.00 C ATOM 108 CG1 VAL A 11 -0.855 -11.123 -8.270 1.00 0.00 C ATOM 109 CG2 VAL A 11 1.206 -9.727 -7.995 1.00 0.00 C ATOM 0 HA VAL A 11 -1.806 -9.577 -6.321 1.00 0.00 H new ATOM 0 HB VAL A 11 0.309 -10.945 -6.496 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -0.239 -11.918 -8.689 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -1.701 -11.560 -7.740 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -1.221 -10.486 -9.075 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.793 -10.542 -8.419 1.00 0.00 H new ATOM 0 HG22 VAL A 11 0.896 -9.051 -8.792 1.00 0.00 H new ATOM 0 HG23 VAL A 11 1.812 -9.182 -7.271 1.00 0.00 H new ATOM 119 N GLY A 12 0.068 -9.288 -4.461 1.00 0.00 N ATOM 120 CA GLY A 12 0.787 -8.786 -3.305 1.00 0.00 C ATOM 121 C GLY A 12 2.093 -9.519 -3.072 1.00 0.00 C ATOM 122 O GLY A 12 2.297 -10.618 -3.587 1.00 0.00 O ATOM 0 H GLY A 12 -0.281 -10.242 -4.367 1.00 0.00 H new ATOM 0 HA2 GLY A 12 0.989 -7.723 -3.440 1.00 0.00 H new ATOM 0 HA3 GLY A 12 0.158 -8.881 -2.420 1.00 0.00 H new ATOM 126 N ASP A 13 2.980 -8.909 -2.293 1.00 0.00 N ATOM 127 CA ASP A 13 4.275 -9.510 -1.992 1.00 0.00 C ATOM 128 C ASP A 13 4.146 -10.552 -0.886 1.00 0.00 C ATOM 129 O ASP A 13 3.039 -10.953 -0.523 1.00 0.00 O ATOM 130 CB ASP A 13 5.278 -8.430 -1.581 1.00 0.00 C ATOM 131 CG ASP A 13 6.662 -8.679 -2.149 1.00 0.00 C ATOM 132 OD1 ASP A 13 7.461 -9.371 -1.482 1.00 0.00 O ATOM 133 OD2 ASP A 13 6.945 -8.184 -3.259 1.00 0.00 O ATOM 0 H ASP A 13 2.826 -7.999 -1.859 1.00 0.00 H new ATOM 0 HA ASP A 13 4.637 -10.007 -2.892 1.00 0.00 H new ATOM 0 HB2 ASP A 13 4.919 -7.458 -1.919 1.00 0.00 H new ATOM 0 HB3 ASP A 13 5.337 -8.388 -0.493 1.00 0.00 H new ATOM 138 N ASP A 14 5.282 -10.987 -0.352 1.00 0.00 N ATOM 139 CA ASP A 14 5.295 -11.982 0.714 1.00 0.00 C ATOM 140 C ASP A 14 6.144 -11.510 1.891 1.00 0.00 C ATOM 141 O ASP A 14 6.768 -12.315 2.581 1.00 0.00 O ATOM 142 CB ASP A 14 5.828 -13.316 0.188 1.00 0.00 C ATOM 143 CG ASP A 14 4.761 -14.125 -0.523 1.00 0.00 C ATOM 144 OD1 ASP A 14 3.793 -14.548 0.144 1.00 0.00 O ATOM 145 OD2 ASP A 14 4.893 -14.336 -1.747 1.00 0.00 O ATOM 0 H ASP A 14 6.206 -10.666 -0.640 1.00 0.00 H new ATOM 0 HA ASP A 14 4.271 -12.119 1.061 1.00 0.00 H new ATOM 0 HB2 ASP A 14 6.655 -13.129 -0.497 1.00 0.00 H new ATOM 0 HB3 ASP A 14 6.228 -13.897 1.019 1.00 0.00 H new ATOM 150 N PHE A 15 6.161 -10.200 2.112 1.00 0.00 N ATOM 151 CA PHE A 15 6.934 -9.621 3.204 1.00 0.00 C ATOM 152 C PHE A 15 6.415 -8.231 3.560 1.00 0.00 C ATOM 153 O PHE A 15 5.852 -7.533 2.717 1.00 0.00 O ATOM 154 CB PHE A 15 8.415 -9.547 2.827 1.00 0.00 C ATOM 155 CG PHE A 15 9.337 -10.005 3.920 1.00 0.00 C ATOM 156 CD1 PHE A 15 9.141 -11.229 4.541 1.00 0.00 C ATOM 157 CD2 PHE A 15 10.398 -9.214 4.328 1.00 0.00 C ATOM 158 CE1 PHE A 15 9.987 -11.653 5.547 1.00 0.00 C ATOM 159 CE2 PHE A 15 11.248 -9.633 5.333 1.00 0.00 C ATOM 160 CZ PHE A 15 11.042 -10.854 5.945 1.00 0.00 C ATOM 0 H PHE A 15 5.649 -9.520 1.550 1.00 0.00 H new ATOM 0 HA PHE A 15 6.822 -10.265 4.077 1.00 0.00 H new ATOM 0 HB2 PHE A 15 8.586 -10.156 1.940 1.00 0.00 H new ATOM 0 HB3 PHE A 15 8.663 -8.519 2.561 1.00 0.00 H new ATOM 0 HD1 PHE A 15 8.318 -11.858 4.235 1.00 0.00 H new ATOM 0 HD2 PHE A 15 10.563 -8.257 3.854 1.00 0.00 H new ATOM 0 HE1 PHE A 15 9.824 -12.609 6.023 1.00 0.00 H new ATOM 0 HE2 PHE A 15 12.073 -9.007 5.640 1.00 0.00 H new ATOM 0 HZ PHE A 15 11.704 -11.183 6.732 1.00 0.00 H new ATOM 170 N LEU A 16 6.608 -7.836 4.815 1.00 0.00 N ATOM 171 CA LEU A 16 6.159 -6.529 5.281 1.00 0.00 C ATOM 172 C LEU A 16 7.344 -5.598 5.515 1.00 0.00 C ATOM 173 O LEU A 16 8.355 -5.996 6.094 1.00 0.00 O ATOM 174 CB LEU A 16 5.350 -6.676 6.571 1.00 0.00 C ATOM 175 CG LEU A 16 3.856 -6.938 6.373 1.00 0.00 C ATOM 176 CD1 LEU A 16 3.228 -7.449 7.660 1.00 0.00 C ATOM 177 CD2 LEU A 16 3.153 -5.674 5.899 1.00 0.00 C ATOM 0 H LEU A 16 7.072 -8.402 5.526 1.00 0.00 H new ATOM 0 HA LEU A 16 5.525 -6.094 4.509 1.00 0.00 H new ATOM 0 HB2 LEU A 16 5.772 -7.494 7.155 1.00 0.00 H new ATOM 0 HB3 LEU A 16 5.469 -5.768 7.162 1.00 0.00 H new ATOM 0 HG LEU A 16 3.739 -7.705 5.607 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.165 -7.630 7.499 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.713 -8.379 7.958 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.355 -6.706 8.447 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.091 -5.878 5.763 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.279 -4.887 6.642 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.585 -5.351 4.952 1.00 0.00 H new ATOM 189 N GLY A 17 7.212 -4.355 5.062 1.00 0.00 N ATOM 190 CA GLY A 17 8.279 -3.387 5.232 1.00 0.00 C ATOM 191 C GLY A 17 8.356 -2.854 6.649 1.00 0.00 C ATOM 192 O GLY A 17 7.496 -3.148 7.478 1.00 0.00 O ATOM 0 H GLY A 17 6.385 -4.001 4.580 1.00 0.00 H new ATOM 0 HA2 GLY A 17 9.230 -3.849 4.968 1.00 0.00 H new ATOM 0 HA3 GLY A 17 8.126 -2.557 4.542 1.00 0.00 H new ATOM 196 N ASP A 18 9.391 -2.067 6.926 1.00 0.00 N ATOM 197 CA ASP A 18 9.578 -1.491 8.253 1.00 0.00 C ATOM 198 C ASP A 18 8.867 -0.145 8.367 1.00 0.00 C ATOM 199 O ASP A 18 9.476 0.862 8.728 1.00 0.00 O ATOM 200 CB ASP A 18 11.070 -1.325 8.553 1.00 0.00 C ATOM 201 CG ASP A 18 11.690 -2.587 9.119 1.00 0.00 C ATOM 202 OD1 ASP A 18 11.225 -3.689 8.761 1.00 0.00 O ATOM 203 OD2 ASP A 18 12.641 -2.473 9.921 1.00 0.00 O ATOM 0 H ASP A 18 10.112 -1.814 6.250 1.00 0.00 H new ATOM 0 HA ASP A 18 9.143 -2.172 8.984 1.00 0.00 H new ATOM 0 HB2 ASP A 18 11.593 -1.045 7.638 1.00 0.00 H new ATOM 0 HB3 ASP A 18 11.207 -0.507 9.261 1.00 0.00 H new ATOM 208 N PHE A 19 7.575 -0.138 8.057 1.00 0.00 N ATOM 209 CA PHE A 19 6.780 1.083 8.124 1.00 0.00 C ATOM 210 C PHE A 19 5.738 0.994 9.234 1.00 0.00 C ATOM 211 O PHE A 19 5.363 -0.098 9.661 1.00 0.00 O ATOM 212 CB PHE A 19 6.092 1.342 6.783 1.00 0.00 C ATOM 213 CG PHE A 19 7.033 1.318 5.611 1.00 0.00 C ATOM 214 CD1 PHE A 19 7.411 0.117 5.034 1.00 0.00 C ATOM 215 CD2 PHE A 19 7.539 2.498 5.090 1.00 0.00 C ATOM 216 CE1 PHE A 19 8.276 0.092 3.957 1.00 0.00 C ATOM 217 CE2 PHE A 19 8.405 2.480 4.013 1.00 0.00 C ATOM 218 CZ PHE A 19 8.774 1.275 3.445 1.00 0.00 C ATOM 0 H PHE A 19 7.056 -0.963 7.757 1.00 0.00 H new ATOM 0 HA PHE A 19 7.452 1.912 8.347 1.00 0.00 H new ATOM 0 HB2 PHE A 19 5.316 0.592 6.631 1.00 0.00 H new ATOM 0 HB3 PHE A 19 5.595 2.311 6.820 1.00 0.00 H new ATOM 0 HD1 PHE A 19 7.025 -0.811 5.430 1.00 0.00 H new ATOM 0 HD2 PHE A 19 7.254 3.442 5.530 1.00 0.00 H new ATOM 0 HE1 PHE A 19 8.563 -0.851 3.516 1.00 0.00 H new ATOM 0 HE2 PHE A 19 8.793 3.406 3.616 1.00 0.00 H new ATOM 0 HZ PHE A 19 9.450 1.258 2.603 1.00 0.00 H new ATOM 228 N VAL A 20 5.275 2.150 9.697 1.00 0.00 N ATOM 229 CA VAL A 20 4.275 2.205 10.758 1.00 0.00 C ATOM 230 C VAL A 20 2.983 2.847 10.263 1.00 0.00 C ATOM 231 O VAL A 20 2.979 3.570 9.267 1.00 0.00 O ATOM 232 CB VAL A 20 4.791 2.992 11.977 1.00 0.00 C ATOM 233 CG1 VAL A 20 5.857 2.196 12.714 1.00 0.00 C ATOM 234 CG2 VAL A 20 5.329 4.349 11.548 1.00 0.00 C ATOM 0 H VAL A 20 5.576 3.062 9.354 1.00 0.00 H new ATOM 0 HA VAL A 20 4.075 1.176 11.057 1.00 0.00 H new ATOM 0 HB VAL A 20 3.957 3.157 12.659 1.00 0.00 H new ATOM 0 HG11 VAL A 20 6.210 2.768 13.572 1.00 0.00 H new ATOM 0 HG12 VAL A 20 5.434 1.251 13.056 1.00 0.00 H new ATOM 0 HG13 VAL A 20 6.692 1.997 12.042 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.689 4.891 12.423 1.00 0.00 H new ATOM 0 HG22 VAL A 20 6.150 4.209 10.844 1.00 0.00 H new ATOM 0 HG23 VAL A 20 4.534 4.921 11.069 1.00 0.00 H new ATOM 244 N VAL A 21 1.887 2.577 10.965 1.00 0.00 N ATOM 245 CA VAL A 21 0.589 3.128 10.597 1.00 0.00 C ATOM 246 C VAL A 21 0.443 4.564 11.087 1.00 0.00 C ATOM 247 O VAL A 21 0.376 4.817 12.290 1.00 0.00 O ATOM 248 CB VAL A 21 -0.564 2.283 11.169 1.00 0.00 C ATOM 249 CG1 VAL A 21 -1.899 2.751 10.612 1.00 0.00 C ATOM 250 CG2 VAL A 21 -0.342 0.807 10.873 1.00 0.00 C ATOM 0 H VAL A 21 1.873 1.980 11.792 1.00 0.00 H new ATOM 0 HA VAL A 21 0.536 3.111 9.508 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.583 2.415 12.251 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -2.701 2.141 11.028 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -2.060 3.795 10.881 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -1.895 2.653 9.526 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -1.167 0.225 11.285 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.294 0.655 9.795 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.594 0.482 11.327 1.00 0.00 H new ATOM 260 N GLY A 22 0.392 5.503 10.146 1.00 0.00 N ATOM 261 CA GLY A 22 0.253 6.903 10.503 1.00 0.00 C ATOM 262 C GLY A 22 1.292 7.779 9.830 1.00 0.00 C ATOM 263 O GLY A 22 1.050 8.961 9.582 1.00 0.00 O ATOM 0 H GLY A 22 0.444 5.319 9.144 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -0.743 7.248 10.226 1.00 0.00 H new ATOM 0 HA3 GLY A 22 0.338 7.009 11.584 1.00 0.00 H new ATOM 267 N GLU A 23 2.450 7.199 9.535 1.00 0.00 N ATOM 268 CA GLU A 23 3.530 7.935 8.888 1.00 0.00 C ATOM 269 C GLU A 23 3.241 8.134 7.404 1.00 0.00 C ATOM 270 O GLU A 23 2.379 7.465 6.833 1.00 0.00 O ATOM 271 CB GLU A 23 4.857 7.194 9.065 1.00 0.00 C ATOM 272 CG GLU A 23 4.891 5.835 8.385 1.00 0.00 C ATOM 273 CD GLU A 23 6.203 5.569 7.674 1.00 0.00 C ATOM 274 OE1 GLU A 23 6.713 6.493 7.007 1.00 0.00 O ATOM 275 OE2 GLU A 23 6.720 4.438 7.786 1.00 0.00 O ATOM 0 H GLU A 23 2.665 6.222 9.733 1.00 0.00 H new ATOM 0 HA GLU A 23 3.602 8.915 9.360 1.00 0.00 H new ATOM 0 HB2 GLU A 23 5.663 7.810 8.667 1.00 0.00 H new ATOM 0 HB3 GLU A 23 5.051 7.063 10.130 1.00 0.00 H new ATOM 0 HG2 GLU A 23 4.721 5.057 9.129 1.00 0.00 H new ATOM 0 HG3 GLU A 23 4.074 5.772 7.666 1.00 0.00 H new ATOM 282 N ARG A 24 3.965 9.060 6.784 1.00 0.00 N ATOM 283 CA ARG A 24 3.786 9.348 5.365 1.00 0.00 C ATOM 284 C ARG A 24 4.826 8.610 4.526 1.00 0.00 C ATOM 285 O ARG A 24 6.029 8.792 4.712 1.00 0.00 O ATOM 286 CB ARG A 24 3.885 10.853 5.112 1.00 0.00 C ATOM 287 CG ARG A 24 2.887 11.671 5.915 1.00 0.00 C ATOM 288 CD ARG A 24 1.784 12.233 5.031 1.00 0.00 C ATOM 289 NE ARG A 24 2.308 13.130 4.005 1.00 0.00 N ATOM 290 CZ ARG A 24 2.791 14.344 4.258 1.00 0.00 C ATOM 291 NH1 ARG A 24 2.818 14.810 5.500 1.00 0.00 N ATOM 292 NH2 ARG A 24 3.249 15.095 3.265 1.00 0.00 N ATOM 0 H ARG A 24 4.681 9.624 7.242 1.00 0.00 H new ATOM 0 HA ARG A 24 2.795 9.002 5.071 1.00 0.00 H new ATOM 0 HB2 ARG A 24 4.894 11.188 5.353 1.00 0.00 H new ATOM 0 HB3 ARG A 24 3.730 11.046 4.050 1.00 0.00 H new ATOM 0 HG2 ARG A 24 2.448 11.048 6.694 1.00 0.00 H new ATOM 0 HG3 ARG A 24 3.405 12.489 6.416 1.00 0.00 H new ATOM 0 HD2 ARG A 24 1.247 11.412 4.555 1.00 0.00 H new ATOM 0 HD3 ARG A 24 1.063 12.770 5.648 1.00 0.00 H new ATOM 0 HE ARG A 24 2.304 12.807 3.037 1.00 0.00 H new ATOM 0 HH11 ARG A 24 2.467 14.237 6.267 1.00 0.00 H new ATOM 0 HH12 ARG A 24 3.189 15.741 5.687 1.00 0.00 H new ATOM 0 HH21 ARG A 24 3.231 14.742 2.308 1.00 0.00 H new ATOM 0 HH22 ARG A 24 3.619 16.026 3.458 1.00 0.00 H new ATOM 306 N VAL A 25 4.354 7.778 3.605 1.00 0.00 N ATOM 307 CA VAL A 25 5.243 7.013 2.738 1.00 0.00 C ATOM 308 C VAL A 25 4.967 7.308 1.268 1.00 0.00 C ATOM 309 O VAL A 25 3.855 7.684 0.898 1.00 0.00 O ATOM 310 CB VAL A 25 5.099 5.499 2.981 1.00 0.00 C ATOM 311 CG1 VAL A 25 5.569 5.135 4.381 1.00 0.00 C ATOM 312 CG2 VAL A 25 3.660 5.058 2.762 1.00 0.00 C ATOM 0 H VAL A 25 3.361 7.616 3.439 1.00 0.00 H new ATOM 0 HA VAL A 25 6.261 7.318 2.982 1.00 0.00 H new ATOM 0 HB VAL A 25 5.729 4.973 2.264 1.00 0.00 H new ATOM 0 HG11 VAL A 25 5.460 4.061 4.534 1.00 0.00 H new ATOM 0 HG12 VAL A 25 6.617 5.413 4.497 1.00 0.00 H new ATOM 0 HG13 VAL A 25 4.968 5.669 5.117 1.00 0.00 H new ATOM 0 HG21 VAL A 25 3.577 3.986 2.938 1.00 0.00 H new ATOM 0 HG22 VAL A 25 3.007 5.591 3.453 1.00 0.00 H new ATOM 0 HG23 VAL A 25 3.363 5.281 1.737 1.00 0.00 H new ATOM 322 N TRP A 26 5.988 7.134 0.434 1.00 0.00 N ATOM 323 CA TRP A 26 5.855 7.382 -0.997 1.00 0.00 C ATOM 324 C TRP A 26 5.592 6.083 -1.752 1.00 0.00 C ATOM 325 O TRP A 26 6.449 5.200 -1.806 1.00 0.00 O ATOM 326 CB TRP A 26 7.119 8.054 -1.538 1.00 0.00 C ATOM 327 CG TRP A 26 7.036 9.549 -1.552 1.00 0.00 C ATOM 328 CD1 TRP A 26 6.765 10.345 -2.629 1.00 0.00 C ATOM 329 CD2 TRP A 26 7.226 10.429 -0.440 1.00 0.00 C ATOM 330 NE1 TRP A 26 6.775 11.666 -2.252 1.00 0.00 N ATOM 331 CE2 TRP A 26 7.057 11.744 -0.913 1.00 0.00 C ATOM 332 CE3 TRP A 26 7.524 10.234 0.912 1.00 0.00 C ATOM 333 CZ2 TRP A 26 7.175 12.856 -0.083 1.00 0.00 C ATOM 334 CZ3 TRP A 26 7.641 11.339 1.735 1.00 0.00 C ATOM 335 CH2 TRP A 26 7.466 12.636 1.235 1.00 0.00 C ATOM 0 H TRP A 26 6.915 6.823 0.724 1.00 0.00 H new ATOM 0 HA TRP A 26 5.005 8.047 -1.149 1.00 0.00 H new ATOM 0 HB2 TRP A 26 7.972 7.750 -0.931 1.00 0.00 H new ATOM 0 HB3 TRP A 26 7.306 7.698 -2.551 1.00 0.00 H new ATOM 0 HD1 TRP A 26 6.571 9.988 -3.630 1.00 0.00 H new ATOM 0 HE1 TRP A 26 6.601 12.460 -2.868 1.00 0.00 H new ATOM 0 HE3 TRP A 26 7.660 9.238 1.307 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 7.041 13.857 -0.467 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 7.871 11.200 2.781 1.00 0.00 H new ATOM 0 HH2 TRP A 26 7.563 13.479 1.904 1.00 0.00 H new ATOM 346 N VAL A 27 4.402 5.973 -2.333 1.00 0.00 N ATOM 347 CA VAL A 27 4.024 4.783 -3.085 1.00 0.00 C ATOM 348 C VAL A 27 4.686 4.768 -4.458 1.00 0.00 C ATOM 349 O VAL A 27 4.339 5.559 -5.334 1.00 0.00 O ATOM 350 CB VAL A 27 2.497 4.692 -3.263 1.00 0.00 C ATOM 351 CG1 VAL A 27 2.109 3.355 -3.875 1.00 0.00 C ATOM 352 CG2 VAL A 27 1.792 4.901 -1.932 1.00 0.00 C ATOM 0 H VAL A 27 3.682 6.695 -2.297 1.00 0.00 H new ATOM 0 HA VAL A 27 4.367 3.923 -2.509 1.00 0.00 H new ATOM 0 HB VAL A 27 2.181 5.482 -3.944 1.00 0.00 H new ATOM 0 HG11 VAL A 27 1.026 3.309 -3.993 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.585 3.249 -4.850 1.00 0.00 H new ATOM 0 HG13 VAL A 27 2.437 2.547 -3.221 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.714 4.833 -2.077 1.00 0.00 H new ATOM 0 HG22 VAL A 27 2.112 4.134 -1.226 1.00 0.00 H new ATOM 0 HG23 VAL A 27 2.044 5.885 -1.537 1.00 0.00 H new ATOM 362 N ASN A 28 5.642 3.863 -4.639 1.00 0.00 N ATOM 363 CA ASN A 28 6.353 3.743 -5.907 1.00 0.00 C ATOM 364 C ASN A 28 7.079 5.041 -6.250 1.00 0.00 C ATOM 365 O ASN A 28 7.293 5.352 -7.422 1.00 0.00 O ATOM 366 CB ASN A 28 5.380 3.378 -7.029 1.00 0.00 C ATOM 367 CG ASN A 28 5.219 1.879 -7.190 1.00 0.00 C ATOM 368 OD1 ASN A 28 4.103 1.361 -7.191 1.00 0.00 O ATOM 369 ND2 ASN A 28 6.336 1.175 -7.329 1.00 0.00 N ATOM 0 H ASN A 28 5.943 3.201 -3.923 1.00 0.00 H new ATOM 0 HA ASN A 28 7.094 2.950 -5.805 1.00 0.00 H new ATOM 0 HB2 ASN A 28 4.408 3.825 -6.823 1.00 0.00 H new ATOM 0 HB3 ASN A 28 5.735 3.805 -7.967 1.00 0.00 H new ATOM 0 HD21 ASN A 28 6.290 0.162 -7.443 1.00 0.00 H new ATOM 0 HD22 ASN A 28 7.240 1.647 -7.322 1.00 0.00 H new ATOM 376 N GLY A 29 7.458 5.794 -5.222 1.00 0.00 N ATOM 377 CA GLY A 29 8.156 7.048 -5.438 1.00 0.00 C ATOM 378 C GLY A 29 7.370 8.011 -6.304 1.00 0.00 C ATOM 379 O GLY A 29 7.915 8.611 -7.231 1.00 0.00 O ATOM 0 H GLY A 29 7.294 5.558 -4.243 1.00 0.00 H new ATOM 0 HA2 GLY A 29 8.361 7.516 -4.475 1.00 0.00 H new ATOM 0 HA3 GLY A 29 9.119 6.847 -5.907 1.00 0.00 H new ATOM 383 N VAL A 30 6.083 8.160 -6.004 1.00 0.00 N ATOM 384 CA VAL A 30 5.220 9.058 -6.764 1.00 0.00 C ATOM 385 C VAL A 30 4.684 10.181 -5.881 1.00 0.00 C ATOM 386 O VAL A 30 4.903 11.360 -6.159 1.00 0.00 O ATOM 387 CB VAL A 30 4.034 8.301 -7.390 1.00 0.00 C ATOM 388 CG1 VAL A 30 3.252 9.213 -8.324 1.00 0.00 C ATOM 389 CG2 VAL A 30 4.521 7.061 -8.126 1.00 0.00 C ATOM 0 H VAL A 30 5.615 7.671 -5.241 1.00 0.00 H new ATOM 0 HA VAL A 30 5.829 9.485 -7.561 1.00 0.00 H new ATOM 0 HB VAL A 30 3.367 7.981 -6.590 1.00 0.00 H new ATOM 0 HG11 VAL A 30 2.418 8.661 -8.757 1.00 0.00 H new ATOM 0 HG12 VAL A 30 2.871 10.067 -7.764 1.00 0.00 H new ATOM 0 HG13 VAL A 30 3.907 9.565 -9.121 1.00 0.00 H new ATOM 0 HG21 VAL A 30 3.669 6.539 -8.562 1.00 0.00 H new ATOM 0 HG22 VAL A 30 5.210 7.355 -8.918 1.00 0.00 H new ATOM 0 HG23 VAL A 30 5.033 6.400 -7.426 1.00 0.00 H new ATOM 399 N LYS A 31 3.979 9.806 -4.819 1.00 0.00 N ATOM 400 CA LYS A 31 3.411 10.784 -3.897 1.00 0.00 C ATOM 401 C LYS A 31 3.318 10.211 -2.485 1.00 0.00 C ATOM 402 O LYS A 31 3.118 9.009 -2.306 1.00 0.00 O ATOM 403 CB LYS A 31 2.025 11.221 -4.374 1.00 0.00 C ATOM 404 CG LYS A 31 2.056 12.407 -5.326 1.00 0.00 C ATOM 405 CD LYS A 31 1.009 13.448 -4.958 1.00 0.00 C ATOM 406 CE LYS A 31 0.244 13.926 -6.182 1.00 0.00 C ATOM 407 NZ LYS A 31 -0.033 15.389 -6.126 1.00 0.00 N ATOM 0 H LYS A 31 3.787 8.834 -4.575 1.00 0.00 H new ATOM 0 HA LYS A 31 4.071 11.651 -3.875 1.00 0.00 H new ATOM 0 HB2 LYS A 31 1.538 10.381 -4.869 1.00 0.00 H new ATOM 0 HB3 LYS A 31 1.415 11.477 -3.507 1.00 0.00 H new ATOM 0 HG2 LYS A 31 3.046 12.863 -5.308 1.00 0.00 H new ATOM 0 HG3 LYS A 31 1.883 12.061 -6.345 1.00 0.00 H new ATOM 0 HD2 LYS A 31 0.312 13.025 -4.235 1.00 0.00 H new ATOM 0 HD3 LYS A 31 1.493 14.297 -4.475 1.00 0.00 H new ATOM 0 HE2 LYS A 31 0.818 13.699 -7.081 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -0.697 13.381 -6.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -0.556 15.676 -6.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -0.602 15.603 -5.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 0.865 15.911 -6.079 1.00 0.00 H new ATOM 421 N PRO A 32 3.460 11.067 -1.458 1.00 0.00 N ATOM 422 CA PRO A 32 3.390 10.639 -0.058 1.00 0.00 C ATOM 423 C PRO A 32 1.966 10.307 0.374 1.00 0.00 C ATOM 424 O PRO A 32 1.001 10.845 -0.168 1.00 0.00 O ATOM 425 CB PRO A 32 3.910 11.856 0.707 1.00 0.00 C ATOM 426 CG PRO A 32 3.585 13.017 -0.167 1.00 0.00 C ATOM 427 CD PRO A 32 3.701 12.518 -1.582 1.00 0.00 C ATOM 0 HA PRO A 32 3.961 9.728 0.121 1.00 0.00 H new ATOM 0 HB2 PRO A 32 3.430 11.947 1.681 1.00 0.00 H new ATOM 0 HB3 PRO A 32 4.983 11.783 0.886 1.00 0.00 H new ATOM 0 HG2 PRO A 32 2.580 13.388 0.035 1.00 0.00 H new ATOM 0 HG3 PRO A 32 4.272 13.844 0.012 1.00 0.00 H new ATOM 0 HD2 PRO A 32 2.969 12.992 -2.236 1.00 0.00 H new ATOM 0 HD3 PRO A 32 4.685 12.727 -2.002 1.00 0.00 H new ATOM 435 N GLY A 33 1.843 9.417 1.354 1.00 0.00 N ATOM 436 CA GLY A 33 0.533 9.029 1.842 1.00 0.00 C ATOM 437 C GLY A 33 0.578 8.493 3.259 1.00 0.00 C ATOM 438 O GLY A 33 1.537 7.827 3.648 1.00 0.00 O ATOM 0 H GLY A 33 2.627 8.958 1.818 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -0.135 9.889 1.803 1.00 0.00 H new ATOM 0 HA3 GLY A 33 0.113 8.269 1.183 1.00 0.00 H new ATOM 442 N VAL A 34 -0.463 8.783 4.032 1.00 0.00 N ATOM 443 CA VAL A 34 -0.540 8.327 5.415 1.00 0.00 C ATOM 444 C VAL A 34 -0.932 6.855 5.486 1.00 0.00 C ATOM 445 O VAL A 34 -2.021 6.470 5.058 1.00 0.00 O ATOM 446 CB VAL A 34 -1.553 9.155 6.225 1.00 0.00 C ATOM 447 CG1 VAL A 34 -1.475 8.800 7.702 1.00 0.00 C ATOM 448 CG2 VAL A 34 -1.319 10.643 6.014 1.00 0.00 C ATOM 0 H VAL A 34 -1.266 9.332 3.724 1.00 0.00 H new ATOM 0 HA VAL A 34 0.452 8.459 5.847 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.555 8.915 5.870 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.199 9.396 8.258 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -1.699 7.741 7.834 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -0.472 9.008 8.074 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -2.045 11.211 6.595 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.311 10.903 6.339 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.433 10.883 4.957 1.00 0.00 H new ATOM 458 N VAL A 35 -0.037 6.035 6.028 1.00 0.00 N ATOM 459 CA VAL A 35 -0.289 4.605 6.155 1.00 0.00 C ATOM 460 C VAL A 35 -1.391 4.329 7.173 1.00 0.00 C ATOM 461 O VAL A 35 -1.338 4.806 8.306 1.00 0.00 O ATOM 462 CB VAL A 35 0.983 3.846 6.576 1.00 0.00 C ATOM 463 CG1 VAL A 35 0.756 2.343 6.509 1.00 0.00 C ATOM 464 CG2 VAL A 35 2.161 4.253 5.704 1.00 0.00 C ATOM 0 H VAL A 35 0.869 6.337 6.386 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.607 4.252 5.174 1.00 0.00 H new ATOM 0 HB VAL A 35 1.216 4.109 7.608 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.666 1.824 6.810 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.058 2.068 7.180 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.497 2.059 5.489 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.051 3.706 6.016 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.940 4.021 4.662 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.338 5.324 5.808 1.00 0.00 H new ATOM 474 N GLN A 36 -2.390 3.556 6.759 1.00 0.00 N ATOM 475 CA GLN A 36 -3.506 3.216 7.633 1.00 0.00 C ATOM 476 C GLN A 36 -3.560 1.713 7.886 1.00 0.00 C ATOM 477 O GLN A 36 -3.830 1.271 9.003 1.00 0.00 O ATOM 478 CB GLN A 36 -4.825 3.693 7.019 1.00 0.00 C ATOM 479 CG GLN A 36 -5.374 4.956 7.663 1.00 0.00 C ATOM 480 CD GLN A 36 -5.984 4.697 9.026 1.00 0.00 C ATOM 481 OE1 GLN A 36 -7.183 4.441 9.144 1.00 0.00 O ATOM 482 NE2 GLN A 36 -5.160 4.762 10.066 1.00 0.00 N ATOM 0 H GLN A 36 -2.449 3.153 5.824 1.00 0.00 H new ATOM 0 HA GLN A 36 -3.356 3.720 8.588 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -4.676 3.873 5.954 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -5.566 2.898 7.108 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -4.572 5.688 7.761 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -6.128 5.395 7.009 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -4.173 4.977 9.922 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -5.514 4.597 11.008 1.00 0.00 H new ATOM 491 N TYR A 37 -3.302 0.932 6.842 1.00 0.00 N ATOM 492 CA TYR A 37 -3.321 -0.522 6.951 1.00 0.00 C ATOM 493 C TYR A 37 -1.943 -1.108 6.657 1.00 0.00 C ATOM 494 O TYR A 37 -1.189 -0.572 5.845 1.00 0.00 O ATOM 495 CB TYR A 37 -4.353 -1.114 5.990 1.00 0.00 C ATOM 496 CG TYR A 37 -4.982 -2.394 6.490 1.00 0.00 C ATOM 497 CD1 TYR A 37 -6.085 -2.365 7.334 1.00 0.00 C ATOM 498 CD2 TYR A 37 -4.473 -3.633 6.118 1.00 0.00 C ATOM 499 CE1 TYR A 37 -6.663 -3.534 7.794 1.00 0.00 C ATOM 500 CE2 TYR A 37 -5.046 -4.805 6.573 1.00 0.00 C ATOM 501 CZ TYR A 37 -6.140 -4.751 7.410 1.00 0.00 C ATOM 502 OH TYR A 37 -6.711 -5.916 7.865 1.00 0.00 O ATOM 0 H TYR A 37 -3.077 1.282 5.911 1.00 0.00 H new ATOM 0 HA TYR A 37 -3.596 -0.780 7.974 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -5.138 -0.378 5.814 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -3.875 -1.305 5.029 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -6.498 -1.414 7.636 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -3.616 -3.680 5.463 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -7.520 -3.494 8.451 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -4.638 -5.759 6.274 1.00 0.00 H new ATOM 0 HH TYR A 37 -6.223 -6.684 7.500 1.00 0.00 H new ATOM 512 N LEU A 38 -1.621 -2.211 7.324 1.00 0.00 N ATOM 513 CA LEU A 38 -0.335 -2.870 7.135 1.00 0.00 C ATOM 514 C LEU A 38 -0.439 -4.362 7.435 1.00 0.00 C ATOM 515 O LEU A 38 -0.569 -4.765 8.591 1.00 0.00 O ATOM 516 CB LEU A 38 0.726 -2.231 8.032 1.00 0.00 C ATOM 517 CG LEU A 38 1.380 -0.970 7.464 1.00 0.00 C ATOM 518 CD1 LEU A 38 2.232 -0.286 8.521 1.00 0.00 C ATOM 519 CD2 LEU A 38 2.219 -1.310 6.240 1.00 0.00 C ATOM 0 H LEU A 38 -2.233 -2.667 8.000 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.042 -2.747 6.092 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.269 -1.985 8.990 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.504 -2.968 8.230 1.00 0.00 H new ATOM 0 HG LEU A 38 0.591 -0.281 7.161 1.00 0.00 H new ATOM 0 HD11 LEU A 38 2.688 0.609 8.097 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.606 -0.007 9.369 1.00 0.00 H new ATOM 0 HD13 LEU A 38 3.013 -0.968 8.856 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.677 -0.401 5.849 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.999 -2.018 6.519 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.583 -1.754 5.475 1.00 0.00 H new ATOM 531 N GLY A 39 -0.379 -5.178 6.387 1.00 0.00 N ATOM 532 CA GLY A 39 -0.467 -6.615 6.560 1.00 0.00 C ATOM 533 C GLY A 39 -0.914 -7.326 5.298 1.00 0.00 C ATOM 534 O GLY A 39 -0.129 -7.501 4.365 1.00 0.00 O ATOM 0 H GLY A 39 -0.271 -4.869 5.421 1.00 0.00 H new ATOM 0 HA2 GLY A 39 0.506 -7.001 6.865 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -1.166 -6.838 7.366 1.00 0.00 H new ATOM 538 N GLU A 40 -2.178 -7.736 5.268 1.00 0.00 N ATOM 539 CA GLU A 40 -2.728 -8.433 4.111 1.00 0.00 C ATOM 540 C GLU A 40 -4.058 -7.819 3.687 1.00 0.00 C ATOM 541 O GLU A 40 -4.584 -6.930 4.357 1.00 0.00 O ATOM 542 CB GLU A 40 -2.916 -9.918 4.425 1.00 0.00 C ATOM 543 CG GLU A 40 -1.715 -10.553 5.109 1.00 0.00 C ATOM 544 CD GLU A 40 -2.033 -11.051 6.505 1.00 0.00 C ATOM 545 OE1 GLU A 40 -2.681 -10.304 7.270 1.00 0.00 O ATOM 546 OE2 GLU A 40 -1.633 -12.187 6.835 1.00 0.00 O ATOM 0 H GLU A 40 -2.840 -7.598 6.031 1.00 0.00 H new ATOM 0 HA GLU A 40 -2.022 -8.330 3.287 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -3.792 -10.038 5.063 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -3.121 -10.454 3.498 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -1.355 -11.385 4.504 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -0.906 -9.825 5.163 1.00 0.00 H new ATOM 553 N THR A 41 -4.598 -8.300 2.572 1.00 0.00 N ATOM 554 CA THR A 41 -5.868 -7.800 2.058 1.00 0.00 C ATOM 555 C THR A 41 -6.809 -8.952 1.719 1.00 0.00 C ATOM 556 O THR A 41 -6.477 -10.119 1.924 1.00 0.00 O ATOM 557 CB THR A 41 -5.635 -6.933 0.819 1.00 0.00 C ATOM 558 OG1 THR A 41 -4.870 -7.633 -0.146 1.00 0.00 O ATOM 559 CG2 THR A 41 -4.918 -5.636 1.122 1.00 0.00 C ATOM 0 H THR A 41 -4.175 -9.036 2.007 1.00 0.00 H new ATOM 0 HA THR A 41 -6.332 -7.193 2.835 1.00 0.00 H new ATOM 0 HB THR A 41 -6.629 -6.698 0.440 1.00 0.00 H new ATOM 0 HG1 THR A 41 -3.983 -7.223 -0.221 1.00 0.00 H new ATOM 0 HG21 THR A 41 -4.785 -5.070 0.200 1.00 0.00 H new ATOM 0 HG22 THR A 41 -5.509 -5.050 1.826 1.00 0.00 H new ATOM 0 HG23 THR A 41 -3.943 -5.853 1.559 1.00 0.00 H new ATOM 567 N GLN A 42 -7.984 -8.615 1.199 1.00 0.00 N ATOM 568 CA GLN A 42 -8.973 -9.620 0.830 1.00 0.00 C ATOM 569 C GLN A 42 -9.121 -9.709 -0.686 1.00 0.00 C ATOM 570 O GLN A 42 -9.237 -10.800 -1.245 1.00 0.00 O ATOM 571 CB GLN A 42 -10.324 -9.295 1.473 1.00 0.00 C ATOM 572 CG GLN A 42 -10.766 -10.315 2.509 1.00 0.00 C ATOM 573 CD GLN A 42 -11.546 -11.464 1.900 1.00 0.00 C ATOM 574 OE1 GLN A 42 -10.965 -12.441 1.427 1.00 0.00 O ATOM 575 NE2 GLN A 42 -12.869 -11.352 1.910 1.00 0.00 N ATOM 0 H GLN A 42 -8.275 -7.653 1.024 1.00 0.00 H new ATOM 0 HA GLN A 42 -8.628 -10.587 1.197 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -10.266 -8.313 1.943 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -11.082 -9.230 0.693 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -9.889 -10.708 3.023 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -11.382 -9.821 3.261 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -13.308 -10.524 2.313 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -13.447 -12.094 1.515 1.00 0.00 H new ATOM 584 N PHE A 43 -9.118 -8.555 -1.345 1.00 0.00 N ATOM 585 CA PHE A 43 -9.252 -8.504 -2.796 1.00 0.00 C ATOM 586 C PHE A 43 -8.094 -9.226 -3.477 1.00 0.00 C ATOM 587 O PHE A 43 -8.255 -9.802 -4.553 1.00 0.00 O ATOM 588 CB PHE A 43 -9.320 -7.051 -3.274 1.00 0.00 C ATOM 589 CG PHE A 43 -8.045 -6.283 -3.059 1.00 0.00 C ATOM 590 CD1 PHE A 43 -6.949 -6.492 -3.881 1.00 0.00 C ATOM 591 CD2 PHE A 43 -7.945 -5.353 -2.037 1.00 0.00 C ATOM 592 CE1 PHE A 43 -5.776 -5.787 -3.686 1.00 0.00 C ATOM 593 CE2 PHE A 43 -6.775 -4.647 -1.837 1.00 0.00 C ATOM 594 CZ PHE A 43 -5.689 -4.864 -2.662 1.00 0.00 C ATOM 0 H PHE A 43 -9.024 -7.643 -0.898 1.00 0.00 H new ATOM 0 HA PHE A 43 -10.178 -9.010 -3.068 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -9.567 -7.038 -4.336 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -10.132 -6.544 -2.752 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -7.012 -7.213 -4.682 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -8.791 -5.178 -1.389 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -4.929 -5.958 -4.333 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -6.709 -3.926 -1.036 1.00 0.00 H new ATOM 0 HZ PHE A 43 -4.773 -4.313 -2.507 1.00 0.00 H new ATOM 604 N ALA A 44 -6.926 -9.191 -2.843 1.00 0.00 N ATOM 605 CA ALA A 44 -5.742 -9.842 -3.388 1.00 0.00 C ATOM 606 C ALA A 44 -4.921 -10.506 -2.285 1.00 0.00 C ATOM 607 O ALA A 44 -4.825 -9.985 -1.174 1.00 0.00 O ATOM 608 CB ALA A 44 -4.890 -8.836 -4.148 1.00 0.00 C ATOM 0 H ALA A 44 -6.775 -8.719 -1.952 1.00 0.00 H new ATOM 0 HA ALA A 44 -6.071 -10.619 -4.078 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -4.009 -9.336 -4.550 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -5.471 -8.412 -4.967 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -4.579 -8.039 -3.473 1.00 0.00 H new ATOM 614 N PRO A 45 -4.316 -11.672 -2.576 1.00 0.00 N ATOM 615 CA PRO A 45 -3.503 -12.403 -1.602 1.00 0.00 C ATOM 616 C PRO A 45 -2.144 -11.749 -1.372 1.00 0.00 C ATOM 617 O PRO A 45 -1.835 -10.714 -1.963 1.00 0.00 O ATOM 618 CB PRO A 45 -3.331 -13.776 -2.251 1.00 0.00 C ATOM 619 CG PRO A 45 -3.413 -13.511 -3.714 1.00 0.00 C ATOM 620 CD PRO A 45 -4.379 -12.366 -3.878 1.00 0.00 C ATOM 0 HA PRO A 45 -3.972 -12.434 -0.619 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -2.375 -14.225 -1.982 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -4.110 -14.467 -1.929 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -2.434 -13.256 -4.119 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -3.760 -14.394 -4.251 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -4.087 -11.709 -4.697 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -5.387 -12.719 -4.096 1.00 0.00 H new ATOM 628 N GLY A 46 -1.336 -12.359 -0.511 1.00 0.00 N ATOM 629 CA GLY A 46 -0.020 -11.822 -0.221 1.00 0.00 C ATOM 630 C GLY A 46 -0.067 -10.676 0.771 1.00 0.00 C ATOM 631 O GLY A 46 -1.095 -10.435 1.404 1.00 0.00 O ATOM 0 H GLY A 46 -1.569 -13.216 -0.009 1.00 0.00 H new ATOM 0 HA2 GLY A 46 0.614 -12.616 0.175 1.00 0.00 H new ATOM 0 HA3 GLY A 46 0.441 -11.478 -1.147 1.00 0.00 H new ATOM 635 N GLN A 47 1.050 -9.968 0.907 1.00 0.00 N ATOM 636 CA GLN A 47 1.133 -8.841 1.829 1.00 0.00 C ATOM 637 C GLN A 47 0.736 -7.541 1.136 1.00 0.00 C ATOM 638 O GLN A 47 1.053 -7.328 -0.034 1.00 0.00 O ATOM 639 CB GLN A 47 2.551 -8.720 2.392 1.00 0.00 C ATOM 640 CG GLN A 47 3.065 -10.001 3.027 1.00 0.00 C ATOM 641 CD GLN A 47 2.336 -10.348 4.310 1.00 0.00 C ATOM 642 OE1 GLN A 47 1.247 -9.839 4.576 1.00 0.00 O ATOM 643 NE2 GLN A 47 2.934 -11.220 5.113 1.00 0.00 N ATOM 0 H GLN A 47 1.910 -10.155 0.391 1.00 0.00 H new ATOM 0 HA GLN A 47 0.438 -9.022 2.649 1.00 0.00 H new ATOM 0 HB2 GLN A 47 3.227 -8.425 1.590 1.00 0.00 H new ATOM 0 HB3 GLN A 47 2.571 -7.923 3.135 1.00 0.00 H new ATOM 0 HG2 GLN A 47 2.957 -10.822 2.318 1.00 0.00 H new ATOM 0 HG3 GLN A 47 4.130 -9.897 3.235 1.00 0.00 H new ATOM 0 HE21 GLN A 47 3.837 -11.617 4.853 1.00 0.00 H new ATOM 0 HE22 GLN A 47 2.491 -11.493 5.990 1.00 0.00 H new ATOM 652 N TRP A 48 0.040 -6.677 1.867 1.00 0.00 N ATOM 653 CA TRP A 48 -0.401 -5.398 1.324 1.00 0.00 C ATOM 654 C TRP A 48 -0.261 -4.290 2.362 1.00 0.00 C ATOM 655 O TRP A 48 -0.260 -4.549 3.565 1.00 0.00 O ATOM 656 CB TRP A 48 -1.853 -5.495 0.855 1.00 0.00 C ATOM 657 CG TRP A 48 -1.999 -6.094 -0.508 1.00 0.00 C ATOM 658 CD1 TRP A 48 -1.990 -7.421 -0.821 1.00 0.00 C ATOM 659 CD2 TRP A 48 -2.176 -5.391 -1.743 1.00 0.00 C ATOM 660 NE1 TRP A 48 -2.150 -7.588 -2.174 1.00 0.00 N ATOM 661 CE2 TRP A 48 -2.266 -6.356 -2.763 1.00 0.00 C ATOM 662 CE3 TRP A 48 -2.269 -4.038 -2.085 1.00 0.00 C ATOM 663 CZ2 TRP A 48 -2.443 -6.012 -4.100 1.00 0.00 C ATOM 664 CZ3 TRP A 48 -2.444 -3.698 -3.413 1.00 0.00 C ATOM 665 CH2 TRP A 48 -2.530 -4.681 -4.407 1.00 0.00 C ATOM 0 H TRP A 48 -0.231 -6.839 2.837 1.00 0.00 H new ATOM 0 HA TRP A 48 0.233 -5.154 0.472 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -2.418 -6.094 1.569 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -2.294 -4.498 0.855 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -1.874 -8.224 -0.108 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -2.178 -8.483 -2.662 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -2.205 -3.273 -1.325 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -2.509 -6.768 -4.868 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -2.516 -2.656 -3.689 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -2.668 -4.383 -5.436 1.00 0.00 H new ATOM 676 N ALA A 49 -0.145 -3.054 1.888 1.00 0.00 N ATOM 677 CA ALA A 49 -0.007 -1.907 2.776 1.00 0.00 C ATOM 678 C ALA A 49 -0.831 -0.725 2.278 1.00 0.00 C ATOM 679 O ALA A 49 -0.494 -0.098 1.274 1.00 0.00 O ATOM 680 CB ALA A 49 1.457 -1.513 2.905 1.00 0.00 C ATOM 0 H ALA A 49 -0.144 -2.822 0.895 1.00 0.00 H new ATOM 0 HA ALA A 49 -0.384 -2.192 3.758 1.00 0.00 H new ATOM 0 HB1 ALA A 49 1.545 -0.655 3.571 1.00 0.00 H new ATOM 0 HB2 ALA A 49 2.024 -2.349 3.313 1.00 0.00 H new ATOM 0 HB3 ALA A 49 1.851 -1.252 1.923 1.00 0.00 H new ATOM 686 N GLY A 50 -1.915 -0.425 2.988 1.00 0.00 N ATOM 687 CA GLY A 50 -2.770 0.682 2.602 1.00 0.00 C ATOM 688 C GLY A 50 -2.155 2.029 2.923 1.00 0.00 C ATOM 689 O GLY A 50 -1.484 2.185 3.944 1.00 0.00 O ATOM 0 H GLY A 50 -2.216 -0.928 3.823 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -2.973 0.624 1.533 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -3.728 0.592 3.114 1.00 0.00 H new ATOM 693 N VAL A 51 -2.383 3.005 2.051 1.00 0.00 N ATOM 694 CA VAL A 51 -1.845 4.345 2.248 1.00 0.00 C ATOM 695 C VAL A 51 -2.840 5.408 1.793 1.00 0.00 C ATOM 696 O VAL A 51 -3.242 5.440 0.630 1.00 0.00 O ATOM 697 CB VAL A 51 -0.521 4.538 1.484 1.00 0.00 C ATOM 698 CG1 VAL A 51 0.126 5.861 1.864 1.00 0.00 C ATOM 699 CG2 VAL A 51 0.424 3.377 1.752 1.00 0.00 C ATOM 0 H VAL A 51 -2.936 2.893 1.202 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.659 4.457 3.316 1.00 0.00 H new ATOM 0 HB VAL A 51 -0.738 4.560 0.416 1.00 0.00 H new ATOM 0 HG11 VAL A 51 1.060 5.980 1.315 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -0.548 6.680 1.615 1.00 0.00 H new ATOM 0 HG13 VAL A 51 0.331 5.872 2.935 1.00 0.00 H new ATOM 0 HG21 VAL A 51 1.354 3.531 1.204 1.00 0.00 H new ATOM 0 HG22 VAL A 51 0.637 3.320 2.819 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -0.040 2.447 1.425 1.00 0.00 H new ATOM 709 N VAL A 52 -3.233 6.277 2.720 1.00 0.00 N ATOM 710 CA VAL A 52 -4.180 7.342 2.415 1.00 0.00 C ATOM 711 C VAL A 52 -3.469 8.564 1.843 1.00 0.00 C ATOM 712 O VAL A 52 -2.835 9.325 2.574 1.00 0.00 O ATOM 713 CB VAL A 52 -4.973 7.764 3.665 1.00 0.00 C ATOM 714 CG1 VAL A 52 -6.089 8.728 3.291 1.00 0.00 C ATOM 715 CG2 VAL A 52 -5.531 6.543 4.381 1.00 0.00 C ATOM 0 H VAL A 52 -2.910 6.264 3.687 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.871 6.945 1.671 1.00 0.00 H new ATOM 0 HB VAL A 52 -4.294 8.278 4.346 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -6.638 9.015 4.188 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -5.662 9.617 2.827 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -6.768 8.244 2.589 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -6.088 6.861 5.262 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -6.194 5.999 3.709 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.711 5.893 4.686 1.00 0.00 H new ATOM 725 N LEU A 53 -3.577 8.745 0.530 1.00 0.00 N ATOM 726 CA LEU A 53 -2.944 9.875 -0.140 1.00 0.00 C ATOM 727 C LEU A 53 -3.516 11.196 0.364 1.00 0.00 C ATOM 728 O LEU A 53 -4.647 11.251 0.845 1.00 0.00 O ATOM 729 CB LEU A 53 -3.134 9.768 -1.654 1.00 0.00 C ATOM 730 CG LEU A 53 -2.098 8.907 -2.377 1.00 0.00 C ATOM 731 CD1 LEU A 53 -2.462 8.754 -3.846 1.00 0.00 C ATOM 732 CD2 LEU A 53 -0.709 9.511 -2.231 1.00 0.00 C ATOM 0 H LEU A 53 -4.097 8.124 -0.090 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.878 9.851 0.088 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.125 9.360 -1.853 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.111 10.771 -2.080 1.00 0.00 H new ATOM 0 HG LEU A 53 -2.093 7.917 -1.920 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.713 8.138 -4.344 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.439 8.278 -3.931 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.495 9.737 -4.317 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.016 8.886 -2.751 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.700 10.512 -2.662 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.446 9.569 -1.175 1.00 0.00 H new ATOM 744 N ASP A 54 -2.725 12.258 0.250 1.00 0.00 N ATOM 745 CA ASP A 54 -3.152 13.579 0.695 1.00 0.00 C ATOM 746 C ASP A 54 -4.190 14.164 -0.258 1.00 0.00 C ATOM 747 O ASP A 54 -5.198 14.723 0.173 1.00 0.00 O ATOM 748 CB ASP A 54 -1.950 14.519 0.798 1.00 0.00 C ATOM 749 CG ASP A 54 -0.964 14.082 1.863 1.00 0.00 C ATOM 750 OD1 ASP A 54 -1.413 13.691 2.961 1.00 0.00 O ATOM 751 OD2 ASP A 54 0.256 14.133 1.599 1.00 0.00 O ATOM 0 H ASP A 54 -1.786 12.229 -0.146 1.00 0.00 H new ATOM 0 HA ASP A 54 -3.607 13.474 1.680 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -1.443 14.563 -0.166 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -2.299 15.527 1.021 1.00 0.00 H new ATOM 756 N ASP A 55 -3.935 14.032 -1.555 1.00 0.00 N ATOM 757 CA ASP A 55 -4.847 14.548 -2.569 1.00 0.00 C ATOM 758 C ASP A 55 -5.766 13.444 -3.088 1.00 0.00 C ATOM 759 O ASP A 55 -5.442 12.260 -2.996 1.00 0.00 O ATOM 760 CB ASP A 55 -4.059 15.160 -3.730 1.00 0.00 C ATOM 761 CG ASP A 55 -3.992 16.673 -3.647 1.00 0.00 C ATOM 762 OD1 ASP A 55 -3.321 17.188 -2.728 1.00 0.00 O ATOM 763 OD2 ASP A 55 -4.611 17.342 -4.501 1.00 0.00 O ATOM 0 H ASP A 55 -3.105 13.572 -1.929 1.00 0.00 H new ATOM 0 HA ASP A 55 -5.462 15.321 -2.109 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -3.048 14.754 -3.734 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -4.522 14.870 -4.673 1.00 0.00 H new ATOM 768 N PRO A 56 -6.932 13.819 -3.643 1.00 0.00 N ATOM 769 CA PRO A 56 -7.900 12.856 -4.176 1.00 0.00 C ATOM 770 C PRO A 56 -7.433 12.235 -5.490 1.00 0.00 C ATOM 771 O PRO A 56 -8.082 12.388 -6.526 1.00 0.00 O ATOM 772 CB PRO A 56 -9.153 13.704 -4.398 1.00 0.00 C ATOM 773 CG PRO A 56 -8.637 15.081 -4.635 1.00 0.00 C ATOM 774 CD PRO A 56 -7.397 15.212 -3.793 1.00 0.00 C ATOM 0 HA PRO A 56 -8.054 12.013 -3.503 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -9.729 13.344 -5.250 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -9.813 13.671 -3.531 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -8.410 15.236 -5.690 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -9.379 15.829 -4.355 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -6.646 15.835 -4.279 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -7.614 15.669 -2.827 1.00 0.00 H new ATOM 782 N VAL A 57 -6.306 11.533 -5.440 1.00 0.00 N ATOM 783 CA VAL A 57 -5.754 10.889 -6.625 1.00 0.00 C ATOM 784 C VAL A 57 -5.322 9.459 -6.322 1.00 0.00 C ATOM 785 O VAL A 57 -4.380 8.943 -6.924 1.00 0.00 O ATOM 786 CB VAL A 57 -4.549 11.671 -7.179 1.00 0.00 C ATOM 787 CG1 VAL A 57 -4.992 13.019 -7.726 1.00 0.00 C ATOM 788 CG2 VAL A 57 -3.486 11.846 -6.105 1.00 0.00 C ATOM 0 H VAL A 57 -5.757 11.396 -4.591 1.00 0.00 H new ATOM 0 HA VAL A 57 -6.545 10.876 -7.375 1.00 0.00 H new ATOM 0 HB VAL A 57 -4.114 11.098 -7.998 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -4.127 13.557 -8.113 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -5.713 12.867 -8.529 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -5.454 13.601 -6.929 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.642 12.401 -6.515 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -3.907 12.395 -5.263 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -3.146 10.867 -5.766 1.00 0.00 H new ATOM 798 N GLY A 58 -6.015 8.823 -5.384 1.00 0.00 N ATOM 799 CA GLY A 58 -5.688 7.458 -5.017 1.00 0.00 C ATOM 800 C GLY A 58 -6.369 6.438 -5.910 1.00 0.00 C ATOM 801 O GLY A 58 -6.360 6.572 -7.134 1.00 0.00 O ATOM 0 H GLY A 58 -6.798 9.229 -4.871 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -4.608 7.319 -5.070 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -5.981 7.283 -3.982 1.00 0.00 H new ATOM 805 N LYS A 59 -6.959 5.417 -5.298 1.00 0.00 N ATOM 806 CA LYS A 59 -7.647 4.371 -6.045 1.00 0.00 C ATOM 807 C LYS A 59 -9.014 4.077 -5.437 1.00 0.00 C ATOM 808 O LYS A 59 -10.048 4.378 -6.035 1.00 0.00 O ATOM 809 CB LYS A 59 -6.803 3.096 -6.071 1.00 0.00 C ATOM 810 CG LYS A 59 -5.716 3.107 -7.134 1.00 0.00 C ATOM 811 CD LYS A 59 -6.141 2.343 -8.376 1.00 0.00 C ATOM 812 CE LYS A 59 -4.985 1.553 -8.967 1.00 0.00 C ATOM 813 NZ LYS A 59 -5.227 1.194 -10.392 1.00 0.00 N ATOM 0 H LYS A 59 -6.974 5.292 -4.286 1.00 0.00 H new ATOM 0 HA LYS A 59 -7.792 4.724 -7.066 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -6.342 2.955 -5.093 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -7.457 2.241 -6.241 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -5.479 4.137 -7.403 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -4.805 2.666 -6.729 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -6.956 1.664 -8.126 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -6.524 3.041 -9.120 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -4.069 2.139 -8.891 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -4.831 0.644 -8.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -4.415 0.656 -10.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -6.087 0.613 -10.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -5.348 2.061 -10.953 1.00 0.00 H new ATOM 827 N ASN A 60 -9.013 3.489 -4.246 1.00 0.00 N ATOM 828 CA ASN A 60 -10.254 3.154 -3.557 1.00 0.00 C ATOM 829 C ASN A 60 -10.563 4.175 -2.467 1.00 0.00 C ATOM 830 O ASN A 60 -9.749 5.049 -2.171 1.00 0.00 O ATOM 831 CB ASN A 60 -10.163 1.754 -2.950 1.00 0.00 C ATOM 832 CG ASN A 60 -9.730 0.711 -3.962 1.00 0.00 C ATOM 833 OD1 ASN A 60 -10.397 0.500 -4.975 1.00 0.00 O ATOM 834 ND2 ASN A 60 -8.609 0.054 -3.692 1.00 0.00 N ATOM 0 H ASN A 60 -8.166 3.234 -3.737 1.00 0.00 H new ATOM 0 HA ASN A 60 -11.063 3.173 -4.288 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -9.456 1.766 -2.120 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -11.133 1.476 -2.538 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -8.268 -0.659 -4.337 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -8.088 0.262 -2.840 1.00 0.00 H new ATOM 841 N ASP A 61 -11.746 4.056 -1.872 1.00 0.00 N ATOM 842 CA ASP A 61 -12.163 4.969 -0.813 1.00 0.00 C ATOM 843 C ASP A 61 -12.133 4.276 0.545 1.00 0.00 C ATOM 844 O ASP A 61 -12.986 4.522 1.399 1.00 0.00 O ATOM 845 CB ASP A 61 -13.569 5.501 -1.096 1.00 0.00 C ATOM 846 CG ASP A 61 -14.546 4.397 -1.446 1.00 0.00 C ATOM 847 OD1 ASP A 61 -14.915 3.620 -0.539 1.00 0.00 O ATOM 848 OD2 ASP A 61 -14.945 4.308 -2.627 1.00 0.00 O ATOM 0 H ASP A 61 -12.432 3.338 -2.105 1.00 0.00 H new ATOM 0 HA ASP A 61 -11.463 5.804 -0.790 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -13.933 6.040 -0.222 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -13.525 6.217 -1.917 1.00 0.00 H new ATOM 853 N GLY A 62 -11.145 3.409 0.741 1.00 0.00 N ATOM 854 CA GLY A 62 -11.022 2.694 1.997 1.00 0.00 C ATOM 855 C GLY A 62 -11.666 1.322 1.948 1.00 0.00 C ATOM 856 O GLY A 62 -11.117 0.353 2.471 1.00 0.00 O ATOM 0 H GLY A 62 -10.427 3.189 0.051 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -9.967 2.588 2.250 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -11.483 3.280 2.792 1.00 0.00 H new ATOM 860 N ALA A 63 -12.834 1.241 1.321 1.00 0.00 N ATOM 861 CA ALA A 63 -13.554 -0.021 1.206 1.00 0.00 C ATOM 862 C ALA A 63 -13.440 -0.592 -0.203 1.00 0.00 C ATOM 863 O ALA A 63 -13.826 0.053 -1.178 1.00 0.00 O ATOM 864 CB ALA A 63 -15.015 0.168 1.585 1.00 0.00 C ATOM 0 H ALA A 63 -13.302 2.035 0.884 1.00 0.00 H new ATOM 0 HA ALA A 63 -13.101 -0.733 1.896 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -15.540 -0.783 1.494 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -15.081 0.523 2.614 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -15.472 0.900 0.919 1.00 0.00 H new ATOM 870 N VAL A 64 -12.911 -1.807 -0.304 1.00 0.00 N ATOM 871 CA VAL A 64 -12.747 -2.466 -1.594 1.00 0.00 C ATOM 872 C VAL A 64 -13.697 -3.651 -1.729 1.00 0.00 C ATOM 873 O VAL A 64 -13.631 -4.604 -0.953 1.00 0.00 O ATOM 874 CB VAL A 64 -11.300 -2.955 -1.797 1.00 0.00 C ATOM 875 CG1 VAL A 64 -11.111 -3.495 -3.207 1.00 0.00 C ATOM 876 CG2 VAL A 64 -10.311 -1.834 -1.511 1.00 0.00 C ATOM 0 H VAL A 64 -12.588 -2.355 0.493 1.00 0.00 H new ATOM 0 HA VAL A 64 -12.981 -1.726 -2.359 1.00 0.00 H new ATOM 0 HB VAL A 64 -11.109 -3.765 -1.093 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -10.083 -3.836 -3.331 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -11.792 -4.330 -3.371 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -11.322 -2.707 -3.930 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -9.295 -2.199 -1.660 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -10.500 -1.001 -2.188 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -10.429 -1.499 -0.481 1.00 0.00 H new ATOM 886 N GLY A 65 -14.580 -3.585 -2.719 1.00 0.00 N ATOM 887 CA GLY A 65 -15.530 -4.659 -2.938 1.00 0.00 C ATOM 888 C GLY A 65 -16.491 -4.831 -1.777 1.00 0.00 C ATOM 889 O GLY A 65 -17.443 -4.065 -1.633 1.00 0.00 O ATOM 0 H GLY A 65 -14.655 -2.807 -3.374 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -16.096 -4.459 -3.848 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -14.989 -5.591 -3.098 1.00 0.00 H new ATOM 893 N GLY A 66 -16.239 -5.840 -0.948 1.00 0.00 N ATOM 894 CA GLY A 66 -17.096 -6.092 0.195 1.00 0.00 C ATOM 895 C GLY A 66 -16.317 -6.214 1.489 1.00 0.00 C ATOM 896 O GLY A 66 -16.711 -6.953 2.391 1.00 0.00 O ATOM 0 H GLY A 66 -15.457 -6.487 -1.048 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -17.821 -5.284 0.286 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -17.660 -7.009 0.027 1.00 0.00 H new ATOM 900 N VAL A 67 -15.208 -5.488 1.580 1.00 0.00 N ATOM 901 CA VAL A 67 -14.370 -5.519 2.774 1.00 0.00 C ATOM 902 C VAL A 67 -13.861 -4.125 3.123 1.00 0.00 C ATOM 903 O VAL A 67 -13.449 -3.366 2.246 1.00 0.00 O ATOM 904 CB VAL A 67 -13.166 -6.462 2.592 1.00 0.00 C ATOM 905 CG1 VAL A 67 -12.421 -6.636 3.905 1.00 0.00 C ATOM 906 CG2 VAL A 67 -13.620 -7.808 2.045 1.00 0.00 C ATOM 0 H VAL A 67 -14.868 -4.871 0.842 1.00 0.00 H new ATOM 0 HA VAL A 67 -14.993 -5.891 3.588 1.00 0.00 H new ATOM 0 HB VAL A 67 -12.483 -6.014 1.870 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -11.574 -7.305 3.757 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -12.061 -5.667 4.251 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -13.093 -7.061 4.651 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -12.756 -8.461 1.923 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -14.325 -8.264 2.740 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -14.105 -7.664 1.080 1.00 0.00 H new ATOM 916 N ARG A 68 -13.893 -3.795 4.410 1.00 0.00 N ATOM 917 CA ARG A 68 -13.434 -2.491 4.877 1.00 0.00 C ATOM 918 C ARG A 68 -12.123 -2.618 5.646 1.00 0.00 C ATOM 919 O ARG A 68 -11.966 -3.509 6.481 1.00 0.00 O ATOM 920 CB ARG A 68 -14.497 -1.840 5.763 1.00 0.00 C ATOM 921 CG ARG A 68 -14.360 -0.330 5.868 1.00 0.00 C ATOM 922 CD ARG A 68 -15.264 0.238 6.949 1.00 0.00 C ATOM 923 NE ARG A 68 -16.678 0.033 6.644 1.00 0.00 N ATOM 924 CZ ARG A 68 -17.671 0.641 7.289 1.00 0.00 C ATOM 925 NH1 ARG A 68 -17.411 1.490 8.276 1.00 0.00 N ATOM 926 NH2 ARG A 68 -18.930 0.397 6.948 1.00 0.00 N ATOM 0 H ARG A 68 -14.232 -4.412 5.148 1.00 0.00 H new ATOM 0 HA ARG A 68 -13.262 -1.861 4.004 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -15.484 -2.080 5.368 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -14.440 -2.272 6.762 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -13.324 -0.072 6.086 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -14.607 0.126 4.909 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -15.027 -0.232 7.903 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -15.068 1.304 7.062 1.00 0.00 H new ATOM 0 HE ARG A 68 -16.918 -0.614 5.893 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -16.445 1.680 8.544 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -18.177 1.952 8.766 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -19.136 -0.256 6.192 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -19.691 0.862 7.442 1.00 0.00 H new ATOM 940 N TYR A 69 -11.184 -1.723 5.357 1.00 0.00 N ATOM 941 CA TYR A 69 -9.885 -1.736 6.022 1.00 0.00 C ATOM 942 C TYR A 69 -9.721 -0.511 6.917 1.00 0.00 C ATOM 943 O TYR A 69 -9.655 -0.628 8.141 1.00 0.00 O ATOM 944 CB TYR A 69 -8.760 -1.781 4.986 1.00 0.00 C ATOM 945 CG TYR A 69 -8.971 -2.819 3.908 1.00 0.00 C ATOM 946 CD1 TYR A 69 -9.956 -2.655 2.942 1.00 0.00 C ATOM 947 CD2 TYR A 69 -8.185 -3.963 3.855 1.00 0.00 C ATOM 948 CE1 TYR A 69 -10.151 -3.602 1.955 1.00 0.00 C ATOM 949 CE2 TYR A 69 -8.374 -4.914 2.871 1.00 0.00 C ATOM 950 CZ TYR A 69 -9.358 -4.729 1.924 1.00 0.00 C ATOM 951 OH TYR A 69 -9.550 -5.673 0.942 1.00 0.00 O ATOM 0 H TYR A 69 -11.298 -0.980 4.667 1.00 0.00 H new ATOM 0 HA TYR A 69 -9.831 -2.629 6.645 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -8.667 -0.800 4.521 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -7.817 -1.984 5.494 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -10.579 -1.773 2.963 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -7.413 -4.112 4.596 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -10.921 -3.460 1.211 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -7.754 -5.798 2.844 1.00 0.00 H new ATOM 0 HH TYR A 69 -10.103 -5.294 0.227 1.00 0.00 H new ATOM 961 N PHE A 70 -9.655 0.663 6.298 1.00 0.00 N ATOM 962 CA PHE A 70 -9.497 1.909 7.038 1.00 0.00 C ATOM 963 C PHE A 70 -10.522 2.944 6.585 1.00 0.00 C ATOM 964 O PHE A 70 -10.768 3.106 5.389 1.00 0.00 O ATOM 965 CB PHE A 70 -8.083 2.461 6.855 1.00 0.00 C ATOM 966 CG PHE A 70 -7.676 2.602 5.416 1.00 0.00 C ATOM 967 CD1 PHE A 70 -7.980 3.753 4.707 1.00 0.00 C ATOM 968 CD2 PHE A 70 -6.988 1.586 4.773 1.00 0.00 C ATOM 969 CE1 PHE A 70 -7.606 3.888 3.383 1.00 0.00 C ATOM 970 CE2 PHE A 70 -6.612 1.714 3.449 1.00 0.00 C ATOM 971 CZ PHE A 70 -6.921 2.866 2.753 1.00 0.00 C ATOM 0 H PHE A 70 -9.708 0.777 5.286 1.00 0.00 H new ATOM 0 HA PHE A 70 -9.662 1.698 8.095 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -8.016 3.435 7.340 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -7.376 1.803 7.361 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -8.516 4.554 5.195 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -6.742 0.683 5.313 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -7.849 4.791 2.842 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -6.077 0.914 2.959 1.00 0.00 H new ATOM 0 HZ PHE A 70 -6.628 2.968 1.719 1.00 0.00 H new ATOM 981 N GLU A 71 -11.116 3.642 7.546 1.00 0.00 N ATOM 982 CA GLU A 71 -12.114 4.663 7.246 1.00 0.00 C ATOM 983 C GLU A 71 -11.447 5.980 6.862 1.00 0.00 C ATOM 984 O GLU A 71 -10.860 6.658 7.706 1.00 0.00 O ATOM 985 CB GLU A 71 -13.037 4.871 8.449 1.00 0.00 C ATOM 986 CG GLU A 71 -14.512 4.913 8.084 1.00 0.00 C ATOM 987 CD GLU A 71 -15.403 4.407 9.201 1.00 0.00 C ATOM 988 OE1 GLU A 71 -15.382 3.187 9.471 1.00 0.00 O ATOM 989 OE2 GLU A 71 -16.122 5.228 9.807 1.00 0.00 O ATOM 0 H GLU A 71 -10.924 3.520 8.540 1.00 0.00 H new ATOM 0 HA GLU A 71 -12.708 4.320 6.399 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -12.872 4.067 9.167 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -12.768 5.803 8.946 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -14.792 5.937 7.836 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -14.679 4.312 7.190 1.00 0.00 H new ATOM 996 N CYS A 72 -11.541 6.335 5.585 1.00 0.00 N ATOM 997 CA CYS A 72 -10.946 7.572 5.091 1.00 0.00 C ATOM 998 C CYS A 72 -11.748 8.132 3.918 1.00 0.00 C ATOM 999 O CYS A 72 -12.673 7.486 3.423 1.00 0.00 O ATOM 1000 CB CYS A 72 -9.495 7.330 4.667 1.00 0.00 C ATOM 1001 SG CYS A 72 -8.270 7.975 5.829 1.00 0.00 S ATOM 0 H CYS A 72 -12.023 5.785 4.874 1.00 0.00 H new ATOM 0 HA CYS A 72 -10.963 8.303 5.899 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -9.337 6.258 4.546 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -9.331 7.788 3.692 1.00 0.00 H new ATOM 0 HG CYS A 72 -8.127 9.254 5.643 1.00 0.00 H new ATOM 1007 N PRO A 73 -11.403 9.347 3.456 1.00 0.00 N ATOM 1008 CA PRO A 73 -12.095 9.992 2.336 1.00 0.00 C ATOM 1009 C PRO A 73 -12.159 9.099 1.101 1.00 0.00 C ATOM 1010 O PRO A 73 -11.775 7.930 1.148 1.00 0.00 O ATOM 1011 CB PRO A 73 -11.242 11.231 2.054 1.00 0.00 C ATOM 1012 CG PRO A 73 -10.554 11.521 3.344 1.00 0.00 C ATOM 1013 CD PRO A 73 -10.313 10.185 3.990 1.00 0.00 C ATOM 0 HA PRO A 73 -13.133 10.219 2.578 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -10.524 11.043 1.256 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -11.859 12.072 1.737 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -9.615 12.049 3.176 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -11.169 12.158 3.980 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -9.333 9.784 3.730 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -10.352 10.251 5.077 1.00 0.00 H new ATOM 1021 N ALA A 74 -12.646 9.656 -0.002 1.00 0.00 N ATOM 1022 CA ALA A 74 -12.760 8.911 -1.249 1.00 0.00 C ATOM 1023 C ALA A 74 -11.601 9.227 -2.187 1.00 0.00 C ATOM 1024 O ALA A 74 -11.044 10.324 -2.154 1.00 0.00 O ATOM 1025 CB ALA A 74 -14.087 9.217 -1.927 1.00 0.00 C ATOM 0 H ALA A 74 -12.968 10.622 -0.057 1.00 0.00 H new ATOM 0 HA ALA A 74 -12.721 7.848 -1.012 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -14.159 8.654 -2.857 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -14.907 8.933 -1.267 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -14.148 10.284 -2.143 1.00 0.00 H new ATOM 1031 N LEU A 75 -11.241 8.257 -3.022 1.00 0.00 N ATOM 1032 CA LEU A 75 -10.146 8.432 -3.971 1.00 0.00 C ATOM 1033 C LEU A 75 -8.836 8.720 -3.245 1.00 0.00 C ATOM 1034 O LEU A 75 -7.964 9.412 -3.770 1.00 0.00 O ATOM 1035 CB LEU A 75 -10.464 9.569 -4.943 1.00 0.00 C ATOM 1036 CG LEU A 75 -11.884 9.557 -5.512 1.00 0.00 C ATOM 1037 CD1 LEU A 75 -12.271 10.940 -6.011 1.00 0.00 C ATOM 1038 CD2 LEU A 75 -12.000 8.532 -6.631 1.00 0.00 C ATOM 0 H LEU A 75 -11.691 7.342 -3.061 1.00 0.00 H new ATOM 0 HA LEU A 75 -10.033 7.504 -4.531 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -10.301 10.519 -4.433 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -9.757 9.527 -5.771 1.00 0.00 H new ATOM 0 HG LEU A 75 -12.572 9.276 -4.715 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -13.284 10.912 -6.412 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -12.227 11.650 -5.185 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -11.579 11.251 -6.794 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -13.016 8.536 -7.025 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -11.301 8.783 -7.429 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -11.766 7.541 -6.242 1.00 0.00 H new ATOM 1050 N GLN A 76 -8.705 8.185 -2.036 1.00 0.00 N ATOM 1051 CA GLN A 76 -7.500 8.386 -1.238 1.00 0.00 C ATOM 1052 C GLN A 76 -6.982 7.062 -0.688 1.00 0.00 C ATOM 1053 O GLN A 76 -5.781 6.792 -0.716 1.00 0.00 O ATOM 1054 CB GLN A 76 -7.778 9.355 -0.088 1.00 0.00 C ATOM 1055 CG GLN A 76 -7.845 10.811 -0.521 1.00 0.00 C ATOM 1056 CD GLN A 76 -8.169 11.746 0.627 1.00 0.00 C ATOM 1057 OE1 GLN A 76 -9.076 12.573 0.532 1.00 0.00 O ATOM 1058 NE2 GLN A 76 -7.427 11.619 1.721 1.00 0.00 N ATOM 0 H GLN A 76 -9.417 7.609 -1.587 1.00 0.00 H new ATOM 0 HA GLN A 76 -6.735 8.813 -1.886 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -8.721 9.082 0.386 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -6.998 9.244 0.666 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -6.891 11.100 -0.961 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -8.601 10.921 -1.299 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -6.685 10.920 1.756 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -7.599 12.221 2.526 1.00 0.00 H new ATOM 1067 N GLY A 77 -7.897 6.241 -0.189 1.00 0.00 N ATOM 1068 CA GLY A 77 -7.520 4.953 0.363 1.00 0.00 C ATOM 1069 C GLY A 77 -6.960 4.013 -0.686 1.00 0.00 C ATOM 1070 O GLY A 77 -7.658 3.116 -1.161 1.00 0.00 O ATOM 0 H GLY A 77 -8.896 6.444 -0.156 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -6.778 5.101 1.147 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -8.390 4.493 0.831 1.00 0.00 H new ATOM 1074 N ILE A 78 -5.698 4.217 -1.050 1.00 0.00 N ATOM 1075 CA ILE A 78 -5.046 3.379 -2.048 1.00 0.00 C ATOM 1076 C ILE A 78 -4.300 2.223 -1.389 1.00 0.00 C ATOM 1077 O ILE A 78 -3.833 2.338 -0.256 1.00 0.00 O ATOM 1078 CB ILE A 78 -4.061 4.196 -2.909 1.00 0.00 C ATOM 1079 CG1 ILE A 78 -3.444 3.317 -3.999 1.00 0.00 C ATOM 1080 CG2 ILE A 78 -2.975 4.813 -2.039 1.00 0.00 C ATOM 1081 CD1 ILE A 78 -2.645 4.093 -5.022 1.00 0.00 C ATOM 0 H ILE A 78 -5.107 4.956 -0.668 1.00 0.00 H new ATOM 0 HA ILE A 78 -5.830 2.979 -2.692 1.00 0.00 H new ATOM 0 HB ILE A 78 -4.613 5.003 -3.391 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -2.797 2.574 -3.532 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -4.239 2.772 -4.508 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -2.290 5.385 -2.664 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -3.431 5.473 -1.301 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -2.426 4.023 -1.528 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -2.238 3.405 -5.763 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -3.292 4.817 -5.516 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -1.828 4.616 -4.525 1.00 0.00 H new ATOM 1093 N PHE A 79 -4.193 1.108 -2.105 1.00 0.00 N ATOM 1094 CA PHE A 79 -3.504 -0.070 -1.588 1.00 0.00 C ATOM 1095 C PHE A 79 -2.317 -0.439 -2.472 1.00 0.00 C ATOM 1096 O PHE A 79 -2.413 -0.421 -3.699 1.00 0.00 O ATOM 1097 CB PHE A 79 -4.471 -1.251 -1.493 1.00 0.00 C ATOM 1098 CG PHE A 79 -5.118 -1.390 -0.143 1.00 0.00 C ATOM 1099 CD1 PHE A 79 -4.370 -1.758 0.963 1.00 0.00 C ATOM 1100 CD2 PHE A 79 -6.473 -1.150 0.017 1.00 0.00 C ATOM 1101 CE1 PHE A 79 -4.961 -1.886 2.205 1.00 0.00 C ATOM 1102 CE2 PHE A 79 -7.071 -1.277 1.258 1.00 0.00 C ATOM 1103 CZ PHE A 79 -6.313 -1.645 2.353 1.00 0.00 C ATOM 0 H PHE A 79 -4.574 0.995 -3.044 1.00 0.00 H new ATOM 0 HA PHE A 79 -3.131 0.167 -0.591 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -5.248 -1.136 -2.249 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -3.933 -2.170 -1.726 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -3.312 -1.947 0.853 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -7.069 -0.861 -0.836 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -4.367 -2.174 3.059 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -8.128 -1.089 1.371 1.00 0.00 H new ATOM 0 HZ PHE A 79 -6.777 -1.744 3.323 1.00 0.00 H new ATOM 1113 N THR A 80 -1.198 -0.777 -1.838 1.00 0.00 N ATOM 1114 CA THR A 80 0.009 -1.153 -2.564 1.00 0.00 C ATOM 1115 C THR A 80 0.954 -1.946 -1.666 1.00 0.00 C ATOM 1116 O THR A 80 0.883 -1.855 -0.441 1.00 0.00 O ATOM 1117 CB THR A 80 0.718 0.092 -3.099 1.00 0.00 C ATOM 1118 OG1 THR A 80 1.859 -0.267 -3.857 1.00 0.00 O ATOM 1119 CG2 THR A 80 1.170 1.038 -2.008 1.00 0.00 C ATOM 0 H THR A 80 -1.103 -0.798 -0.823 1.00 0.00 H new ATOM 0 HA THR A 80 -0.282 -1.783 -3.405 1.00 0.00 H new ATOM 0 HB THR A 80 -0.021 0.602 -3.717 1.00 0.00 H new ATOM 0 HG1 THR A 80 2.297 0.543 -4.192 1.00 0.00 H new ATOM 0 HG21 THR A 80 1.665 1.900 -2.456 1.00 0.00 H new ATOM 0 HG22 THR A 80 0.305 1.373 -1.436 1.00 0.00 H new ATOM 0 HG23 THR A 80 1.866 0.523 -1.345 1.00 0.00 H new ATOM 1127 N ARG A 81 1.839 -2.723 -2.284 1.00 0.00 N ATOM 1128 CA ARG A 81 2.796 -3.530 -1.536 1.00 0.00 C ATOM 1129 C ARG A 81 3.701 -2.647 -0.679 1.00 0.00 C ATOM 1130 O ARG A 81 4.135 -1.583 -1.118 1.00 0.00 O ATOM 1131 CB ARG A 81 3.642 -4.373 -2.493 1.00 0.00 C ATOM 1132 CG ARG A 81 2.820 -5.259 -3.414 1.00 0.00 C ATOM 1133 CD ARG A 81 3.614 -5.679 -4.640 1.00 0.00 C ATOM 1134 NE ARG A 81 3.418 -7.091 -4.963 1.00 0.00 N ATOM 1135 CZ ARG A 81 4.235 -7.794 -5.743 1.00 0.00 C ATOM 1136 NH1 ARG A 81 5.305 -7.221 -6.281 1.00 0.00 N ATOM 1137 NH2 ARG A 81 3.983 -9.073 -5.984 1.00 0.00 N ATOM 0 H ARG A 81 1.913 -2.810 -3.298 1.00 0.00 H new ATOM 0 HA ARG A 81 2.237 -4.194 -0.876 1.00 0.00 H new ATOM 0 HB2 ARG A 81 4.261 -3.710 -3.098 1.00 0.00 H new ATOM 0 HB3 ARG A 81 4.319 -4.998 -1.911 1.00 0.00 H new ATOM 0 HG2 ARG A 81 2.492 -6.145 -2.871 1.00 0.00 H new ATOM 0 HG3 ARG A 81 1.922 -4.726 -3.726 1.00 0.00 H new ATOM 0 HD2 ARG A 81 3.316 -5.068 -5.492 1.00 0.00 H new ATOM 0 HD3 ARG A 81 4.674 -5.490 -4.468 1.00 0.00 H new ATOM 0 HE ARG A 81 2.607 -7.566 -4.567 1.00 0.00 H new ATOM 0 HH11 ARG A 81 5.504 -6.238 -6.097 1.00 0.00 H new ATOM 0 HH12 ARG A 81 5.928 -7.764 -6.878 1.00 0.00 H new ATOM 0 HH21 ARG A 81 3.163 -9.518 -5.572 1.00 0.00 H new ATOM 0 HH22 ARG A 81 4.609 -9.612 -6.582 1.00 0.00 H new ATOM 1151 N PRO A 82 4.002 -3.079 0.559 1.00 0.00 N ATOM 1152 CA PRO A 82 4.861 -2.316 1.471 1.00 0.00 C ATOM 1153 C PRO A 82 6.201 -1.955 0.840 1.00 0.00 C ATOM 1154 O PRO A 82 6.734 -0.870 1.070 1.00 0.00 O ATOM 1155 CB PRO A 82 5.069 -3.269 2.651 1.00 0.00 C ATOM 1156 CG PRO A 82 3.890 -4.178 2.619 1.00 0.00 C ATOM 1157 CD PRO A 82 3.530 -4.337 1.167 1.00 0.00 C ATOM 0 HA PRO A 82 4.410 -1.364 1.749 1.00 0.00 H new ATOM 0 HB2 PRO A 82 6.001 -3.826 2.550 1.00 0.00 H new ATOM 0 HB3 PRO A 82 5.123 -2.725 3.594 1.00 0.00 H new ATOM 0 HG2 PRO A 82 4.127 -5.141 3.070 1.00 0.00 H new ATOM 0 HG3 PRO A 82 3.058 -3.758 3.184 1.00 0.00 H new ATOM 0 HD2 PRO A 82 4.018 -5.205 0.725 1.00 0.00 H new ATOM 0 HD3 PRO A 82 2.457 -4.471 1.031 1.00 0.00 H new ATOM 1165 N SER A 83 6.740 -2.871 0.042 1.00 0.00 N ATOM 1166 CA SER A 83 8.019 -2.651 -0.623 1.00 0.00 C ATOM 1167 C SER A 83 7.967 -1.412 -1.511 1.00 0.00 C ATOM 1168 O SER A 83 8.975 -0.730 -1.702 1.00 0.00 O ATOM 1169 CB SER A 83 8.402 -3.875 -1.458 1.00 0.00 C ATOM 1170 OG SER A 83 9.750 -3.798 -1.887 1.00 0.00 O ATOM 0 H SER A 83 6.310 -3.774 -0.160 1.00 0.00 H new ATOM 0 HA SER A 83 8.775 -2.493 0.146 1.00 0.00 H new ATOM 0 HB2 SER A 83 8.256 -4.781 -0.870 1.00 0.00 H new ATOM 0 HB3 SER A 83 7.745 -3.948 -2.325 1.00 0.00 H new ATOM 0 HG SER A 83 9.970 -4.592 -2.417 1.00 0.00 H new ATOM 1176 N LYS A 84 6.788 -1.124 -2.050 1.00 0.00 N ATOM 1177 CA LYS A 84 6.606 0.034 -2.918 1.00 0.00 C ATOM 1178 C LYS A 84 6.661 1.330 -2.116 1.00 0.00 C ATOM 1179 O LYS A 84 7.087 2.367 -2.623 1.00 0.00 O ATOM 1180 CB LYS A 84 5.271 -0.062 -3.661 1.00 0.00 C ATOM 1181 CG LYS A 84 4.983 -1.447 -4.220 1.00 0.00 C ATOM 1182 CD LYS A 84 4.758 -1.414 -5.726 1.00 0.00 C ATOM 1183 CE LYS A 84 3.344 -1.841 -6.092 1.00 0.00 C ATOM 1184 NZ LYS A 84 2.731 -0.927 -7.095 1.00 0.00 N ATOM 0 H LYS A 84 5.943 -1.676 -1.901 1.00 0.00 H new ATOM 0 HA LYS A 84 7.419 0.042 -3.644 1.00 0.00 H new ATOM 0 HB2 LYS A 84 4.466 0.221 -2.983 1.00 0.00 H new ATOM 0 HB3 LYS A 84 5.267 0.659 -4.479 1.00 0.00 H new ATOM 0 HG2 LYS A 84 5.816 -2.112 -3.992 1.00 0.00 H new ATOM 0 HG3 LYS A 84 4.102 -1.861 -3.730 1.00 0.00 H new ATOM 0 HD2 LYS A 84 4.942 -0.407 -6.100 1.00 0.00 H new ATOM 0 HD3 LYS A 84 5.476 -2.072 -6.216 1.00 0.00 H new ATOM 0 HE2 LYS A 84 3.362 -2.856 -6.489 1.00 0.00 H new ATOM 0 HE3 LYS A 84 2.727 -1.861 -5.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 1.700 -0.901 -6.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 3.120 0.030 -6.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 2.944 -1.271 -8.053 1.00 0.00 H new ATOM 1198 N LEU A 85 6.226 1.264 -0.861 1.00 0.00 N ATOM 1199 CA LEU A 85 6.225 2.433 0.010 1.00 0.00 C ATOM 1200 C LEU A 85 7.646 2.815 0.413 1.00 0.00 C ATOM 1201 O LEU A 85 8.475 1.949 0.699 1.00 0.00 O ATOM 1202 CB LEU A 85 5.384 2.164 1.258 1.00 0.00 C ATOM 1203 CG LEU A 85 4.014 1.537 0.994 1.00 0.00 C ATOM 1204 CD1 LEU A 85 3.314 1.213 2.306 1.00 0.00 C ATOM 1205 CD2 LEU A 85 3.158 2.467 0.148 1.00 0.00 C ATOM 0 H LEU A 85 5.870 0.413 -0.425 1.00 0.00 H new ATOM 0 HA LEU A 85 5.788 3.265 -0.542 1.00 0.00 H new ATOM 0 HB2 LEU A 85 5.946 1.506 1.921 1.00 0.00 H new ATOM 0 HB3 LEU A 85 5.240 3.105 1.790 1.00 0.00 H new ATOM 0 HG LEU A 85 4.160 0.607 0.444 1.00 0.00 H new ATOM 0 HD11 LEU A 85 2.341 0.768 2.099 1.00 0.00 H new ATOM 0 HD12 LEU A 85 3.920 0.511 2.878 1.00 0.00 H new ATOM 0 HD13 LEU A 85 3.179 2.128 2.882 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.187 2.006 -0.031 1.00 0.00 H new ATOM 0 HD22 LEU A 85 3.020 3.412 0.673 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.653 2.650 -0.806 1.00 0.00 H new ATOM 1217 N THR A 86 7.920 4.114 0.435 1.00 0.00 N ATOM 1218 CA THR A 86 9.240 4.612 0.804 1.00 0.00 C ATOM 1219 C THR A 86 9.125 5.836 1.708 1.00 0.00 C ATOM 1220 O THR A 86 8.023 6.278 2.032 1.00 0.00 O ATOM 1221 CB THR A 86 10.044 4.964 -0.449 1.00 0.00 C ATOM 1222 OG1 THR A 86 9.415 6.006 -1.173 1.00 0.00 O ATOM 1223 CG2 THR A 86 10.225 3.794 -1.392 1.00 0.00 C ATOM 0 H THR A 86 7.245 4.842 0.201 1.00 0.00 H new ATOM 0 HA THR A 86 9.759 3.825 1.351 1.00 0.00 H new ATOM 0 HB THR A 86 11.024 5.272 -0.086 1.00 0.00 H new ATOM 0 HG1 THR A 86 10.038 6.756 -1.274 1.00 0.00 H new ATOM 0 HG21 THR A 86 10.803 4.112 -2.259 1.00 0.00 H new ATOM 0 HG22 THR A 86 10.753 2.991 -0.878 1.00 0.00 H new ATOM 0 HG23 THR A 86 9.249 3.435 -1.719 1.00 0.00 H new ATOM 1231 N ARG A 87 10.269 6.378 2.112 1.00 0.00 N ATOM 1232 CA ARG A 87 10.293 7.550 2.979 1.00 0.00 C ATOM 1233 C ARG A 87 10.744 8.791 2.212 1.00 0.00 C ATOM 1234 O ARG A 87 11.261 9.742 2.801 1.00 0.00 O ATOM 1235 CB ARG A 87 11.224 7.310 4.171 1.00 0.00 C ATOM 1236 CG ARG A 87 10.586 6.494 5.284 1.00 0.00 C ATOM 1237 CD ARG A 87 11.242 6.776 6.626 1.00 0.00 C ATOM 1238 NE ARG A 87 12.531 6.101 6.759 1.00 0.00 N ATOM 1239 CZ ARG A 87 13.451 6.429 7.663 1.00 0.00 C ATOM 1240 NH1 ARG A 87 13.228 7.422 8.516 1.00 0.00 N ATOM 1241 NH2 ARG A 87 14.597 5.764 7.716 1.00 0.00 N ATOM 0 H ARG A 87 11.190 6.025 1.853 1.00 0.00 H new ATOM 0 HA ARG A 87 9.280 7.719 3.343 1.00 0.00 H new ATOM 0 HB2 ARG A 87 12.121 6.797 3.824 1.00 0.00 H new ATOM 0 HB3 ARG A 87 11.542 8.272 4.573 1.00 0.00 H new ATOM 0 HG2 ARG A 87 9.522 6.724 5.342 1.00 0.00 H new ATOM 0 HG3 ARG A 87 10.670 5.432 5.052 1.00 0.00 H new ATOM 0 HD2 ARG A 87 11.382 7.851 6.742 1.00 0.00 H new ATOM 0 HD3 ARG A 87 10.579 6.452 7.428 1.00 0.00 H new ATOM 0 HE ARG A 87 12.738 5.333 6.121 1.00 0.00 H new ATOM 0 HH11 ARG A 87 12.348 7.937 8.480 1.00 0.00 H new ATOM 0 HH12 ARG A 87 13.936 7.669 9.207 1.00 0.00 H new ATOM 0 HH21 ARG A 87 14.774 5.000 7.064 1.00 0.00 H new ATOM 0 HH22 ARG A 87 15.301 6.016 8.409 1.00 0.00 H new ATOM 1255 N GLN A 88 10.546 8.777 0.898 1.00 0.00 N ATOM 1256 CA GLN A 88 10.931 9.902 0.051 1.00 0.00 C ATOM 1257 C GLN A 88 10.644 9.601 -1.418 1.00 0.00 C ATOM 1258 O GLN A 88 10.614 8.440 -1.827 1.00 0.00 O ATOM 1259 CB GLN A 88 12.417 10.226 0.239 1.00 0.00 C ATOM 1260 CG GLN A 88 12.665 11.523 0.992 1.00 0.00 C ATOM 1261 CD GLN A 88 14.041 11.573 1.627 1.00 0.00 C ATOM 1262 OE1 GLN A 88 14.536 10.572 2.145 1.00 0.00 O ATOM 1263 NE2 GLN A 88 14.667 12.744 1.592 1.00 0.00 N ATOM 0 H GLN A 88 10.121 7.998 0.395 1.00 0.00 H new ATOM 0 HA GLN A 88 10.338 10.767 0.348 1.00 0.00 H new ATOM 0 HB2 GLN A 88 12.894 9.406 0.776 1.00 0.00 H new ATOM 0 HB3 GLN A 88 12.894 10.286 -0.739 1.00 0.00 H new ATOM 0 HG2 GLN A 88 12.554 12.364 0.307 1.00 0.00 H new ATOM 0 HG3 GLN A 88 11.907 11.640 1.766 1.00 0.00 H new ATOM 0 HE21 GLN A 88 14.220 13.548 1.152 1.00 0.00 H new ATOM 0 HE22 GLN A 88 15.595 12.839 2.005 1.00 0.00 H new ATOM 1272 N PRO A 89 10.430 10.648 -2.234 1.00 0.00 N ATOM 1273 CA PRO A 89 10.145 10.489 -3.663 1.00 0.00 C ATOM 1274 C PRO A 89 11.361 10.002 -4.444 1.00 0.00 C ATOM 1275 O PRO A 89 12.462 9.905 -3.901 1.00 0.00 O ATOM 1276 CB PRO A 89 9.755 11.900 -4.108 1.00 0.00 C ATOM 1277 CG PRO A 89 10.431 12.804 -3.137 1.00 0.00 C ATOM 1278 CD PRO A 89 10.448 12.065 -1.827 1.00 0.00 C ATOM 0 HA PRO A 89 9.372 9.742 -3.843 1.00 0.00 H new ATOM 0 HB2 PRO A 89 10.084 12.098 -5.128 1.00 0.00 H new ATOM 0 HB3 PRO A 89 8.674 12.036 -4.089 1.00 0.00 H new ATOM 0 HG2 PRO A 89 11.443 13.042 -3.464 1.00 0.00 H new ATOM 0 HG3 PRO A 89 9.896 13.749 -3.045 1.00 0.00 H new ATOM 0 HD2 PRO A 89 11.336 12.304 -1.242 1.00 0.00 H new ATOM 0 HD3 PRO A 89 9.584 12.317 -1.212 1.00 0.00 H new