USER MOD reduce.3.24.130724 H: found=0, std=0, add=624, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 622 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 18 TYR OH : rot 180:sc= 0.26 USER MOD Set 1.2: A 75 THR OG1 : rot 126:sc= 0.61 USER MOD Single : A 11 ASN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 23 THR OG1 : rot -160:sc= -0.455 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= -0.0782 K(o=-0.078,f=-0.66) USER MOD Single : A 67 SER OG : rot -44:sc= 0.608 USER MOD Single : A 70 HIS : no HD1:sc= 0.43 K(o=0.43,f=-5.2!) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ -170:sc= 0.633 (180deg=0.501) USER MOD Single : A 78 THR OG1 : rot 61:sc= 0.756 USER MOD Single : A 79 TYR OH : rot 130:sc= 0 USER MOD Single : A 81 ASN : amide:sc= -0.972 K(o=-0.97,f=0) USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=-0.071) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot 180:sc= -0.482 USER MOD Single : A 92 HIS : no HD1:sc= 0 X(o=0,f=-0.0085) USER MOD Single : A 94 THR OG1 : rot 168:sc= 1.69 USER MOD Single : A 96 TYR OH : rot 30:sc= -0.867 USER MOD Single : A 97 CYS SG : rot -40:sc= 0.0275 USER MOD Single : A 103 CYS SG : rot 174:sc= 0.829 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 173:sc= -0.0077 (180deg=-0.0752) USER MOD Single : A 108 HIS : no HD1:sc= 0 X(o=0,f=-0.0039) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot -80:sc= 1.11 USER MOD ----------------------------------------------------------------- ATOM 130 N ASN A 11 -12.684 8.134 1.538 1.00 0.00 N ATOM 131 CA ASN A 11 -12.122 8.696 2.757 1.00 0.00 C ATOM 132 C ASN A 11 -13.168 8.713 3.861 1.00 0.00 C ATOM 133 O ASN A 11 -12.929 9.239 4.953 1.00 0.00 O ATOM 134 CB ASN A 11 -11.610 10.121 2.513 1.00 0.00 C ATOM 135 CG ASN A 11 -10.453 10.171 1.532 1.00 0.00 C ATOM 136 OD1 ASN A 11 -9.666 9.231 1.428 1.00 0.00 O ATOM 137 ND2 ASN A 11 -10.348 11.260 0.801 1.00 0.00 N ATOM 0 HA ASN A 11 -11.285 8.069 3.063 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -12.427 10.736 2.136 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -11.295 10.556 3.461 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -9.594 11.346 0.119 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -11.020 12.018 0.916 1.00 0.00 H new ATOM 144 N ALA A 12 -14.326 8.129 3.578 1.00 0.00 N ATOM 145 CA ALA A 12 -15.416 8.099 4.531 1.00 0.00 C ATOM 146 C ALA A 12 -16.053 6.725 4.604 1.00 0.00 C ATOM 147 O ALA A 12 -16.183 6.030 3.595 1.00 0.00 O ATOM 148 CB ALA A 12 -16.464 9.139 4.169 1.00 0.00 C ATOM 0 H ALA A 12 -14.530 7.669 2.691 1.00 0.00 H new ATOM 0 HA ALA A 12 -15.003 8.332 5.512 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -17.277 9.104 4.894 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -16.011 10.130 4.179 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -16.856 8.929 3.174 1.00 0.00 H new ATOM 154 N VAL A 13 -16.450 6.339 5.798 1.00 0.00 N ATOM 155 CA VAL A 13 -17.096 5.058 6.022 1.00 0.00 C ATOM 156 C VAL A 13 -18.359 5.236 6.848 1.00 0.00 C ATOM 157 O VAL A 13 -18.536 6.257 7.518 1.00 0.00 O ATOM 158 CB VAL A 13 -16.162 4.055 6.754 1.00 0.00 C ATOM 159 CG1 VAL A 13 -14.928 3.750 5.925 1.00 0.00 C ATOM 160 CG2 VAL A 13 -15.770 4.582 8.128 1.00 0.00 C ATOM 0 H VAL A 13 -16.335 6.902 6.641 1.00 0.00 H new ATOM 0 HA VAL A 13 -17.341 4.654 5.040 1.00 0.00 H new ATOM 0 HB VAL A 13 -16.714 3.125 6.889 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -14.293 3.046 6.463 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -15.228 3.314 4.972 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -14.375 4.671 5.744 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -15.116 3.862 8.621 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -15.247 5.532 8.018 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -16.666 4.730 8.730 1.00 0.00 H new ATOM 170 N VAL A 14 -19.228 4.257 6.782 1.00 0.00 N ATOM 171 CA VAL A 14 -20.444 4.248 7.549 1.00 0.00 C ATOM 172 C VAL A 14 -20.317 3.209 8.652 1.00 0.00 C ATOM 173 O VAL A 14 -20.206 2.010 8.377 1.00 0.00 O ATOM 174 CB VAL A 14 -21.672 3.907 6.666 1.00 0.00 C ATOM 175 CG1 VAL A 14 -22.954 3.896 7.489 1.00 0.00 C ATOM 176 CG2 VAL A 14 -21.790 4.885 5.504 1.00 0.00 C ATOM 0 H VAL A 14 -19.107 3.437 6.187 1.00 0.00 H new ATOM 0 HA VAL A 14 -20.596 5.243 7.968 1.00 0.00 H new ATOM 0 HB VAL A 14 -21.523 2.906 6.260 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -23.799 3.654 6.844 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -22.874 3.148 8.278 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -23.108 4.878 7.935 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -22.658 4.627 4.898 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -21.906 5.897 5.891 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -20.891 4.832 4.891 1.00 0.00 H new ATOM 186 N VAL A 15 -20.310 3.667 9.882 1.00 0.00 N ATOM 187 CA VAL A 15 -20.186 2.774 11.018 1.00 0.00 C ATOM 188 C VAL A 15 -21.518 2.716 11.751 1.00 0.00 C ATOM 189 O VAL A 15 -22.073 3.752 12.109 1.00 0.00 O ATOM 190 CB VAL A 15 -19.084 3.256 11.992 1.00 0.00 C ATOM 191 CG1 VAL A 15 -18.825 2.218 13.067 1.00 0.00 C ATOM 192 CG2 VAL A 15 -17.799 3.585 11.242 1.00 0.00 C ATOM 0 H VAL A 15 -20.389 4.654 10.125 1.00 0.00 H new ATOM 0 HA VAL A 15 -19.909 1.785 10.653 1.00 0.00 H new ATOM 0 HB VAL A 15 -19.437 4.168 12.474 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -18.047 2.578 13.740 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -19.741 2.043 13.632 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -18.501 1.287 12.603 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -17.041 3.921 11.949 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -17.442 2.695 10.723 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -17.993 4.374 10.516 1.00 0.00 H new ATOM 202 N PHE A 16 -22.025 1.520 11.974 1.00 0.00 N ATOM 203 CA PHE A 16 -23.325 1.356 12.601 1.00 0.00 C ATOM 204 C PHE A 16 -23.338 0.171 13.555 1.00 0.00 C ATOM 205 O PHE A 16 -22.366 -0.589 13.636 1.00 0.00 O ATOM 206 CB PHE A 16 -24.420 1.189 11.531 1.00 0.00 C ATOM 207 CG PHE A 16 -24.249 -0.021 10.645 1.00 0.00 C ATOM 208 CD1 PHE A 16 -23.503 0.054 9.479 1.00 0.00 C ATOM 209 CD2 PHE A 16 -24.841 -1.231 10.979 1.00 0.00 C ATOM 210 CE1 PHE A 16 -23.349 -1.052 8.666 1.00 0.00 C ATOM 211 CE2 PHE A 16 -24.689 -2.341 10.170 1.00 0.00 C ATOM 212 CZ PHE A 16 -23.943 -2.252 9.013 1.00 0.00 C ATOM 0 H PHE A 16 -21.558 0.646 11.731 1.00 0.00 H new ATOM 0 HA PHE A 16 -23.529 2.256 13.181 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -25.389 1.127 12.027 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -24.439 2.082 10.906 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -23.037 0.988 9.203 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -25.428 -1.306 11.883 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -22.765 -0.980 7.760 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -25.154 -3.277 10.443 1.00 0.00 H new ATOM 0 HZ PHE A 16 -23.823 -3.118 8.379 1.00 0.00 H new ATOM 222 N GLY A 17 -24.439 0.022 14.279 1.00 0.00 N ATOM 223 CA GLY A 17 -24.576 -1.083 15.206 1.00 0.00 C ATOM 224 C GLY A 17 -24.655 -0.629 16.648 1.00 0.00 C ATOM 225 O GLY A 17 -24.840 -1.441 17.552 1.00 0.00 O ATOM 0 H GLY A 17 -25.242 0.649 14.240 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -25.473 -1.651 14.958 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -23.729 -1.758 15.088 1.00 0.00 H new ATOM 229 N TYR A 18 -24.538 0.665 16.863 1.00 0.00 N ATOM 230 CA TYR A 18 -24.565 1.216 18.207 1.00 0.00 C ATOM 231 C TYR A 18 -25.621 2.308 18.337 1.00 0.00 C ATOM 232 O TYR A 18 -26.286 2.663 17.359 1.00 0.00 O ATOM 233 CB TYR A 18 -23.180 1.739 18.611 1.00 0.00 C ATOM 234 CG TYR A 18 -22.572 2.722 17.634 1.00 0.00 C ATOM 235 CD1 TYR A 18 -22.882 4.076 17.690 1.00 0.00 C ATOM 236 CD2 TYR A 18 -21.685 2.294 16.656 1.00 0.00 C ATOM 237 CE1 TYR A 18 -22.326 4.970 16.799 1.00 0.00 C ATOM 238 CE2 TYR A 18 -21.126 3.182 15.765 1.00 0.00 C ATOM 239 CZ TYR A 18 -21.449 4.516 15.840 1.00 0.00 C ATOM 240 OH TYR A 18 -20.892 5.397 14.950 1.00 0.00 O ATOM 0 H TYR A 18 -24.423 1.358 16.124 1.00 0.00 H new ATOM 0 HA TYR A 18 -24.836 0.412 18.891 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -23.256 2.217 19.588 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -22.504 0.892 18.723 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -23.569 4.433 18.443 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -21.429 1.247 16.593 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -22.577 6.019 16.853 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -20.437 2.832 15.011 1.00 0.00 H new ATOM 0 HH TYR A 18 -20.295 4.914 14.341 1.00 0.00 H new ATOM 250 N ARG A 19 -25.779 2.818 19.547 1.00 0.00 N ATOM 251 CA ARG A 19 -26.760 3.857 19.834 1.00 0.00 C ATOM 252 C ARG A 19 -26.106 5.026 20.555 1.00 0.00 C ATOM 253 O ARG A 19 -24.972 4.908 21.050 1.00 0.00 O ATOM 254 CB ARG A 19 -27.875 3.297 20.713 1.00 0.00 C ATOM 255 CG ARG A 19 -27.414 2.842 22.088 1.00 0.00 C ATOM 256 CD ARG A 19 -28.582 2.354 22.919 1.00 0.00 C ATOM 257 NE ARG A 19 -29.490 3.446 23.281 1.00 0.00 N ATOM 258 CZ ARG A 19 -30.753 3.273 23.676 1.00 0.00 C ATOM 259 NH1 ARG A 19 -31.296 2.060 23.661 1.00 0.00 N ATOM 260 NH2 ARG A 19 -31.478 4.313 24.059 1.00 0.00 N ATOM 0 H ARG A 19 -25.233 2.526 20.358 1.00 0.00 H new ATOM 0 HA ARG A 19 -27.174 4.203 18.887 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -28.645 4.059 20.834 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -28.338 2.454 20.200 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -26.679 2.044 21.983 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -26.918 3.666 22.600 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -29.131 1.595 22.362 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -28.209 1.877 23.825 1.00 0.00 H new ATOM 0 HE ARG A 19 -29.133 4.400 23.228 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -30.747 1.259 23.347 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -32.261 1.930 23.963 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -31.071 5.248 24.052 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -32.443 4.179 24.361 1.00 0.00 H new ATOM 274 N GLU A 20 -26.811 6.151 20.627 1.00 0.00 N ATOM 275 CA GLU A 20 -26.302 7.307 21.341 1.00 0.00 C ATOM 276 C GLU A 20 -26.456 7.091 22.839 1.00 0.00 C ATOM 277 O GLU A 20 -27.461 7.477 23.441 1.00 0.00 O ATOM 278 CB GLU A 20 -27.015 8.599 20.923 1.00 0.00 C ATOM 279 CG GLU A 20 -26.397 9.847 21.548 1.00 0.00 C ATOM 280 CD GLU A 20 -27.163 11.113 21.246 1.00 0.00 C ATOM 281 OE1 GLU A 20 -28.113 11.435 22.001 1.00 0.00 O ATOM 282 OE2 GLU A 20 -26.816 11.807 20.269 1.00 0.00 O ATOM 0 H GLU A 20 -27.729 6.282 20.202 1.00 0.00 H new ATOM 0 HA GLU A 20 -25.248 7.418 21.088 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -26.985 8.690 19.837 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -28.065 8.537 21.209 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -26.342 9.714 22.628 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -25.374 9.956 21.188 1.00 0.00 H new ATOM 289 N ALA A 21 -25.470 6.442 23.420 1.00 0.00 N ATOM 290 CA ALA A 21 -25.456 6.138 24.842 1.00 0.00 C ATOM 291 C ALA A 21 -24.085 5.656 25.236 1.00 0.00 C ATOM 292 O ALA A 21 -23.556 6.018 26.281 1.00 0.00 O ATOM 293 CB ALA A 21 -26.502 5.079 25.174 1.00 0.00 C ATOM 0 H ALA A 21 -24.648 6.106 22.919 1.00 0.00 H new ATOM 0 HA ALA A 21 -25.697 7.042 25.401 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -26.476 4.865 26.242 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -27.491 5.447 24.901 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -26.287 4.168 24.616 1.00 0.00 H new ATOM 299 N ILE A 22 -23.498 4.860 24.364 1.00 0.00 N ATOM 300 CA ILE A 22 -22.182 4.286 24.584 1.00 0.00 C ATOM 301 C ILE A 22 -21.076 5.214 24.072 1.00 0.00 C ATOM 302 O ILE A 22 -19.946 4.783 23.836 1.00 0.00 O ATOM 303 CB ILE A 22 -22.076 2.894 23.897 1.00 0.00 C ATOM 304 CG1 ILE A 22 -22.404 2.985 22.397 1.00 0.00 C ATOM 305 CG2 ILE A 22 -23.010 1.907 24.573 1.00 0.00 C ATOM 306 CD1 ILE A 22 -21.189 3.015 21.500 1.00 0.00 C ATOM 0 H ILE A 22 -23.922 4.591 23.476 1.00 0.00 H new ATOM 0 HA ILE A 22 -22.048 4.163 25.659 1.00 0.00 H new ATOM 0 HB ILE A 22 -21.048 2.546 23.998 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -23.026 2.134 22.120 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -22.996 3.883 22.219 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -22.928 0.936 24.085 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -22.737 1.809 25.624 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -24.036 2.266 24.497 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -21.507 3.080 20.459 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -20.576 3.882 21.747 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -20.607 2.105 21.646 1.00 0.00 H new ATOM 318 N THR A 23 -21.405 6.496 23.935 1.00 0.00 N ATOM 319 CA THR A 23 -20.471 7.480 23.416 1.00 0.00 C ATOM 320 C THR A 23 -19.229 7.609 24.282 1.00 0.00 C ATOM 321 O THR A 23 -18.127 7.567 23.773 1.00 0.00 O ATOM 322 CB THR A 23 -21.125 8.861 23.285 1.00 0.00 C ATOM 323 OG1 THR A 23 -22.374 8.740 22.589 1.00 0.00 O ATOM 324 CG2 THR A 23 -20.200 9.816 22.540 1.00 0.00 C ATOM 0 H THR A 23 -22.320 6.875 24.180 1.00 0.00 H new ATOM 0 HA THR A 23 -20.176 7.120 22.431 1.00 0.00 H new ATOM 0 HB THR A 23 -21.308 9.263 24.282 1.00 0.00 H new ATOM 0 HG1 THR A 23 -22.634 9.614 22.229 1.00 0.00 H new ATOM 0 HG21 THR A 23 -20.677 10.792 22.454 1.00 0.00 H new ATOM 0 HG22 THR A 23 -19.263 9.917 23.088 1.00 0.00 H new ATOM 0 HG23 THR A 23 -19.997 9.423 21.544 1.00 0.00 H new ATOM 332 N LYS A 24 -19.415 7.733 25.596 1.00 0.00 N ATOM 333 CA LYS A 24 -18.304 7.892 26.513 1.00 0.00 C ATOM 334 C LYS A 24 -17.332 6.716 26.346 1.00 0.00 C ATOM 335 O LYS A 24 -16.112 6.875 26.415 1.00 0.00 O ATOM 336 CB LYS A 24 -18.832 7.888 27.944 1.00 0.00 C ATOM 337 CG LYS A 24 -20.015 8.824 28.202 1.00 0.00 C ATOM 338 CD LYS A 24 -19.692 10.282 27.942 1.00 0.00 C ATOM 339 CE LYS A 24 -20.762 11.179 28.575 1.00 0.00 C ATOM 340 NZ LYS A 24 -20.423 12.626 28.522 1.00 0.00 N ATOM 0 H LYS A 24 -20.332 7.725 26.044 1.00 0.00 H new ATOM 0 HA LYS A 24 -17.792 8.831 26.303 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -19.130 6.872 28.202 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -18.019 8.162 28.616 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -20.851 8.525 27.569 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -20.341 8.710 29.236 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -18.713 10.525 28.354 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -19.641 10.466 26.869 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -21.711 11.016 28.064 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -20.905 10.884 29.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -21.185 13.178 28.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -19.533 12.793 29.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -20.314 12.921 27.531 1.00 0.00 H new ATOM 354 N GLN A 25 -17.908 5.548 26.114 1.00 0.00 N ATOM 355 CA GLN A 25 -17.164 4.317 25.961 1.00 0.00 C ATOM 356 C GLN A 25 -16.406 4.252 24.625 1.00 0.00 C ATOM 357 O GLN A 25 -15.174 4.273 24.595 1.00 0.00 O ATOM 358 CB GLN A 25 -18.125 3.134 26.037 1.00 0.00 C ATOM 359 CG GLN A 25 -18.849 3.009 27.354 1.00 0.00 C ATOM 360 CD GLN A 25 -19.860 1.881 27.357 1.00 0.00 C ATOM 361 OE1 GLN A 25 -19.655 0.841 26.730 1.00 0.00 O ATOM 362 NE2 GLN A 25 -20.963 2.086 28.043 1.00 0.00 N ATOM 0 H GLN A 25 -18.917 5.431 26.026 1.00 0.00 H new ATOM 0 HA GLN A 25 -16.430 4.279 26.766 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -18.861 3.226 25.238 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -17.568 2.215 25.853 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -18.123 2.843 28.150 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -19.357 3.948 27.576 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -21.094 2.962 28.549 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -21.688 1.369 28.069 1.00 0.00 H new ATOM 371 N ILE A 26 -17.154 4.178 23.527 1.00 0.00 N ATOM 372 CA ILE A 26 -16.578 3.969 22.208 1.00 0.00 C ATOM 373 C ILE A 26 -15.715 5.149 21.741 1.00 0.00 C ATOM 374 O ILE A 26 -14.712 4.956 21.043 1.00 0.00 O ATOM 375 CB ILE A 26 -17.679 3.640 21.157 1.00 0.00 C ATOM 376 CG1 ILE A 26 -17.091 2.834 20.019 1.00 0.00 C ATOM 377 CG2 ILE A 26 -18.340 4.908 20.621 1.00 0.00 C ATOM 378 CD1 ILE A 26 -18.131 2.232 19.106 1.00 0.00 C ATOM 0 H ILE A 26 -18.171 4.261 23.529 1.00 0.00 H new ATOM 0 HA ILE A 26 -15.915 3.109 22.297 1.00 0.00 H new ATOM 0 HB ILE A 26 -18.448 3.049 21.654 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -16.432 3.475 19.433 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -16.475 2.035 20.431 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -19.103 4.640 19.890 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -18.802 5.453 21.444 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -17.588 5.537 20.146 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -17.638 1.669 18.314 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -18.775 1.565 19.679 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -18.732 3.027 18.665 1.00 0.00 H new ATOM 390 N LEU A 27 -16.099 6.360 22.134 1.00 0.00 N ATOM 391 CA LEU A 27 -15.370 7.556 21.744 1.00 0.00 C ATOM 392 C LEU A 27 -13.959 7.525 22.312 1.00 0.00 C ATOM 393 O LEU A 27 -13.029 7.884 21.639 1.00 0.00 O ATOM 394 CB LEU A 27 -16.150 8.826 22.168 1.00 0.00 C ATOM 395 CG LEU A 27 -15.539 10.205 21.833 1.00 0.00 C ATOM 396 CD1 LEU A 27 -14.569 10.643 22.909 1.00 0.00 C ATOM 397 CD2 LEU A 27 -14.853 10.198 20.474 1.00 0.00 C ATOM 0 H LEU A 27 -16.913 6.536 22.723 1.00 0.00 H new ATOM 0 HA LEU A 27 -15.278 7.584 20.658 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -17.137 8.779 21.709 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -16.298 8.781 23.247 1.00 0.00 H new ATOM 0 HG LEU A 27 -16.360 10.921 21.792 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -14.153 11.616 22.649 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -15.092 10.714 23.863 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -13.763 9.914 22.991 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -14.435 11.184 20.272 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -14.053 9.458 20.474 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -15.579 9.947 19.701 1.00 0.00 H new ATOM 409 N ALA A 28 -13.815 7.060 23.541 1.00 0.00 N ATOM 410 CA ALA A 28 -12.506 6.993 24.185 1.00 0.00 C ATOM 411 C ALA A 28 -11.531 6.093 23.405 1.00 0.00 C ATOM 412 O ALA A 28 -10.330 6.353 23.365 1.00 0.00 O ATOM 413 CB ALA A 28 -12.649 6.498 25.615 1.00 0.00 C ATOM 0 H ALA A 28 -14.586 6.722 24.117 1.00 0.00 H new ATOM 0 HA ALA A 28 -12.090 8.000 24.193 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -11.666 6.452 26.084 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -13.287 7.182 26.175 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -13.096 5.504 25.613 1.00 0.00 H new ATOM 419 N TYR A 29 -12.055 5.037 22.801 1.00 0.00 N ATOM 420 CA TYR A 29 -11.227 4.097 22.048 1.00 0.00 C ATOM 421 C TYR A 29 -10.963 4.590 20.613 1.00 0.00 C ATOM 422 O TYR A 29 -9.825 4.572 20.140 1.00 0.00 O ATOM 423 CB TYR A 29 -11.892 2.711 22.022 1.00 0.00 C ATOM 424 CG TYR A 29 -11.143 1.681 21.201 1.00 0.00 C ATOM 425 CD1 TYR A 29 -10.080 0.968 21.740 1.00 0.00 C ATOM 426 CD2 TYR A 29 -11.503 1.422 19.887 1.00 0.00 C ATOM 427 CE1 TYR A 29 -9.397 0.028 20.990 1.00 0.00 C ATOM 428 CE2 TYR A 29 -10.830 0.489 19.133 1.00 0.00 C ATOM 429 CZ TYR A 29 -9.780 -0.204 19.685 1.00 0.00 C ATOM 430 OH TYR A 29 -9.109 -1.137 18.928 1.00 0.00 O ATOM 0 H TYR A 29 -13.049 4.807 22.815 1.00 0.00 H new ATOM 0 HA TYR A 29 -10.264 4.025 22.553 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -11.986 2.346 23.045 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -12.902 2.812 21.625 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -9.782 1.151 22.762 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -12.328 1.963 19.447 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -8.572 -0.519 21.422 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -11.126 0.302 18.111 1.00 0.00 H new ATOM 0 HH TYR A 29 -9.505 -1.178 18.033 1.00 0.00 H new ATOM 440 N PHE A 30 -12.011 5.035 19.939 1.00 0.00 N ATOM 441 CA PHE A 30 -11.912 5.477 18.544 1.00 0.00 C ATOM 442 C PHE A 30 -11.449 6.923 18.407 1.00 0.00 C ATOM 443 O PHE A 30 -11.246 7.407 17.291 1.00 0.00 O ATOM 444 CB PHE A 30 -13.214 5.245 17.779 1.00 0.00 C ATOM 445 CG PHE A 30 -13.424 3.816 17.356 1.00 0.00 C ATOM 446 CD1 PHE A 30 -12.941 3.373 16.133 1.00 0.00 C ATOM 447 CD2 PHE A 30 -14.095 2.921 18.167 1.00 0.00 C ATOM 448 CE1 PHE A 30 -13.125 2.066 15.729 1.00 0.00 C ATOM 449 CE2 PHE A 30 -14.281 1.610 17.768 1.00 0.00 C ATOM 450 CZ PHE A 30 -13.796 1.184 16.547 1.00 0.00 C ATOM 0 H PHE A 30 -12.950 5.103 20.333 1.00 0.00 H new ATOM 0 HA PHE A 30 -11.139 4.856 18.092 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -14.052 5.556 18.403 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -13.223 5.881 16.894 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -12.414 4.060 15.488 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -14.478 3.249 19.122 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -12.744 1.736 14.774 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -14.806 0.919 18.411 1.00 0.00 H new ATOM 0 HZ PHE A 30 -13.943 0.161 16.234 1.00 0.00 H new ATOM 460 N ALA A 31 -11.297 7.614 19.537 1.00 0.00 N ATOM 461 CA ALA A 31 -10.840 9.015 19.552 1.00 0.00 C ATOM 462 C ALA A 31 -9.502 9.178 18.849 1.00 0.00 C ATOM 463 O ALA A 31 -9.095 10.287 18.540 1.00 0.00 O ATOM 464 CB ALA A 31 -10.742 9.538 20.972 1.00 0.00 C ATOM 0 H ALA A 31 -11.484 7.228 20.463 1.00 0.00 H new ATOM 0 HA ALA A 31 -11.583 9.599 19.009 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -10.403 10.574 20.956 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -11.721 9.484 21.448 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -10.032 8.932 21.535 1.00 0.00 H new ATOM 470 N GLN A 32 -8.816 8.062 18.617 1.00 0.00 N ATOM 471 CA GLN A 32 -7.566 8.062 17.875 1.00 0.00 C ATOM 472 C GLN A 32 -7.802 8.601 16.468 1.00 0.00 C ATOM 473 O GLN A 32 -6.896 9.150 15.841 1.00 0.00 O ATOM 474 CB GLN A 32 -6.994 6.643 17.794 1.00 0.00 C ATOM 475 CG GLN A 32 -6.583 6.059 19.133 1.00 0.00 C ATOM 476 CD GLN A 32 -5.450 6.828 19.783 1.00 0.00 C ATOM 477 OE1 GLN A 32 -4.591 7.395 19.098 1.00 0.00 O ATOM 478 NE2 GLN A 32 -5.430 6.844 21.098 1.00 0.00 N ATOM 0 H GLN A 32 -9.111 7.140 18.937 1.00 0.00 H new ATOM 0 HA GLN A 32 -6.851 8.701 18.394 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -7.738 5.989 17.338 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -6.128 6.650 17.132 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -7.444 6.053 19.802 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -6.280 5.021 18.995 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -6.159 6.363 21.625 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -4.686 7.338 21.591 1.00 0.00 H new ATOM 487 N PHE A 33 -9.029 8.426 15.983 1.00 0.00 N ATOM 488 CA PHE A 33 -9.417 8.895 14.669 1.00 0.00 C ATOM 489 C PHE A 33 -10.094 10.265 14.766 1.00 0.00 C ATOM 490 O PHE A 33 -9.539 11.267 14.327 1.00 0.00 O ATOM 491 CB PHE A 33 -10.366 7.894 14.005 1.00 0.00 C ATOM 492 CG PHE A 33 -9.767 6.531 13.784 1.00 0.00 C ATOM 493 CD1 PHE A 33 -8.978 6.275 12.673 1.00 0.00 C ATOM 494 CD2 PHE A 33 -9.999 5.505 14.688 1.00 0.00 C ATOM 495 CE1 PHE A 33 -8.431 5.022 12.470 1.00 0.00 C ATOM 496 CE2 PHE A 33 -9.457 4.252 14.492 1.00 0.00 C ATOM 497 CZ PHE A 33 -8.670 4.010 13.379 1.00 0.00 C ATOM 0 H PHE A 33 -9.776 7.955 16.494 1.00 0.00 H new ATOM 0 HA PHE A 33 -8.517 8.989 14.061 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -11.258 7.791 14.623 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -10.688 8.297 13.045 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -8.789 7.063 11.959 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -10.613 5.690 15.557 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -7.817 4.834 11.601 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -9.646 3.462 15.204 1.00 0.00 H new ATOM 0 HZ PHE A 33 -8.243 3.030 13.222 1.00 0.00 H new ATOM 507 N GLY A 34 -11.288 10.296 15.371 1.00 0.00 N ATOM 508 CA GLY A 34 -12.043 11.541 15.491 1.00 0.00 C ATOM 509 C GLY A 34 -13.340 11.357 16.272 1.00 0.00 C ATOM 510 O GLY A 34 -13.480 10.385 17.020 1.00 0.00 O ATOM 0 H GLY A 34 -11.745 9.481 15.780 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -11.426 12.291 15.986 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -12.271 11.922 14.496 1.00 0.00 H new ATOM 514 N GLU A 35 -14.278 12.303 16.120 1.00 0.00 N ATOM 515 CA GLU A 35 -15.579 12.235 16.806 1.00 0.00 C ATOM 516 C GLU A 35 -16.399 11.078 16.266 1.00 0.00 C ATOM 517 O GLU A 35 -16.395 10.822 15.068 1.00 0.00 O ATOM 518 CB GLU A 35 -16.401 13.529 16.618 1.00 0.00 C ATOM 519 CG GLU A 35 -15.712 14.805 17.060 1.00 0.00 C ATOM 520 CD GLU A 35 -14.768 15.334 16.016 1.00 0.00 C ATOM 521 OE1 GLU A 35 -15.212 16.093 15.146 1.00 0.00 O ATOM 522 OE2 GLU A 35 -13.579 14.980 16.069 1.00 0.00 O ATOM 0 H GLU A 35 -14.161 13.125 15.528 1.00 0.00 H new ATOM 0 HA GLU A 35 -15.367 12.098 17.866 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -16.663 13.623 15.564 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -17.335 13.430 17.171 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -16.463 15.562 17.285 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -15.162 14.618 17.982 1.00 0.00 H new ATOM 529 N ILE A 36 -17.086 10.375 17.145 1.00 0.00 N ATOM 530 CA ILE A 36 -17.929 9.271 16.722 1.00 0.00 C ATOM 531 C ILE A 36 -19.404 9.680 16.751 1.00 0.00 C ATOM 532 O ILE A 36 -20.105 9.569 15.758 1.00 0.00 O ATOM 533 CB ILE A 36 -17.712 8.015 17.597 1.00 0.00 C ATOM 534 CG1 ILE A 36 -16.224 7.655 17.642 1.00 0.00 C ATOM 535 CG2 ILE A 36 -18.525 6.841 17.055 1.00 0.00 C ATOM 536 CD1 ILE A 36 -15.619 7.377 16.281 1.00 0.00 C ATOM 0 H ILE A 36 -17.078 10.546 18.151 1.00 0.00 H new ATOM 0 HA ILE A 36 -17.646 9.020 15.700 1.00 0.00 H new ATOM 0 HB ILE A 36 -18.052 8.232 18.610 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -15.677 8.472 18.112 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -16.091 6.777 18.274 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -18.361 5.965 17.682 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -19.584 7.098 17.061 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -18.211 6.621 16.035 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -14.564 7.130 16.396 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -16.139 6.540 15.816 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -15.718 8.261 15.651 1.00 0.00 H new ATOM 548 N LEU A 37 -19.858 10.164 17.896 1.00 0.00 N ATOM 549 CA LEU A 37 -21.241 10.605 18.043 1.00 0.00 C ATOM 550 C LEU A 37 -21.290 12.093 18.372 1.00 0.00 C ATOM 551 O LEU A 37 -20.253 12.744 18.480 1.00 0.00 O ATOM 552 CB LEU A 37 -21.986 9.802 19.134 1.00 0.00 C ATOM 553 CG LEU A 37 -22.101 8.285 18.915 1.00 0.00 C ATOM 554 CD1 LEU A 37 -20.889 7.560 19.473 1.00 0.00 C ATOM 555 CD2 LEU A 37 -23.371 7.752 19.545 1.00 0.00 C ATOM 0 H LEU A 37 -19.291 10.263 18.738 1.00 0.00 H new ATOM 0 HA LEU A 37 -21.744 10.426 17.092 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -21.482 9.971 20.085 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -22.992 10.210 19.229 1.00 0.00 H new ATOM 0 HG LEU A 37 -22.141 8.102 17.841 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -20.997 6.488 19.305 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -19.989 7.917 18.973 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -20.810 7.753 20.543 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -23.435 6.677 19.380 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -23.359 7.955 20.616 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -24.234 8.241 19.093 1.00 0.00 H new ATOM 567 N GLU A 38 -22.501 12.624 18.524 1.00 0.00 N ATOM 568 CA GLU A 38 -22.692 14.036 18.860 1.00 0.00 C ATOM 569 C GLU A 38 -22.160 14.362 20.252 1.00 0.00 C ATOM 570 O GLU A 38 -21.620 15.444 20.481 1.00 0.00 O ATOM 571 CB GLU A 38 -24.162 14.424 18.747 1.00 0.00 C ATOM 572 CG GLU A 38 -24.671 14.458 17.322 1.00 0.00 C ATOM 573 CD GLU A 38 -26.143 14.779 17.234 1.00 0.00 C ATOM 574 OE1 GLU A 38 -26.561 15.829 17.762 1.00 0.00 O ATOM 575 OE2 GLU A 38 -26.884 13.998 16.605 1.00 0.00 O ATOM 0 H GLU A 38 -23.368 12.097 18.420 1.00 0.00 H new ATOM 0 HA GLU A 38 -22.119 14.622 18.141 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -24.761 13.717 19.321 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -24.306 15.405 19.199 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -24.107 15.201 16.757 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -24.486 13.492 16.852 1.00 0.00 H new ATOM 582 N ASP A 39 -22.337 13.438 21.181 1.00 0.00 N ATOM 583 CA ASP A 39 -21.810 13.611 22.524 1.00 0.00 C ATOM 584 C ASP A 39 -20.307 13.475 22.533 1.00 0.00 C ATOM 585 O ASP A 39 -19.748 12.655 21.816 1.00 0.00 O ATOM 586 CB ASP A 39 -22.434 12.617 23.511 1.00 0.00 C ATOM 587 CG ASP A 39 -23.698 13.138 24.149 1.00 0.00 C ATOM 588 OD1 ASP A 39 -24.786 12.936 23.581 1.00 0.00 O ATOM 589 OD2 ASP A 39 -23.606 13.770 25.233 1.00 0.00 O ATOM 0 H ASP A 39 -22.840 12.563 21.031 1.00 0.00 H new ATOM 0 HA ASP A 39 -22.076 14.618 22.847 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -22.653 11.685 22.990 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -21.709 12.383 24.291 1.00 0.00 H new ATOM 594 N LEU A 40 -19.662 14.286 23.338 1.00 0.00 N ATOM 595 CA LEU A 40 -18.223 14.256 23.467 1.00 0.00 C ATOM 596 C LEU A 40 -17.814 15.189 24.589 1.00 0.00 C ATOM 597 O LEU A 40 -17.795 16.411 24.424 1.00 0.00 O ATOM 598 CB LEU A 40 -17.535 14.683 22.159 1.00 0.00 C ATOM 599 CG LEU A 40 -16.133 14.106 21.912 1.00 0.00 C ATOM 600 CD1 LEU A 40 -15.532 14.698 20.659 1.00 0.00 C ATOM 601 CD2 LEU A 40 -15.215 14.336 23.102 1.00 0.00 C ATOM 0 H LEU A 40 -20.120 14.986 23.922 1.00 0.00 H new ATOM 0 HA LEU A 40 -17.912 13.235 23.689 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -18.176 14.396 21.325 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -17.465 15.771 22.148 1.00 0.00 H new ATOM 0 HG LEU A 40 -16.237 13.029 21.778 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -14.539 14.279 20.499 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -16.167 14.463 19.805 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -15.456 15.780 20.768 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -14.232 13.914 22.890 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -15.119 15.406 23.286 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -15.635 13.853 23.984 1.00 0.00 H new ATOM 1035 N SER A 67 -18.595 17.581 12.783 1.00 0.00 N ATOM 1036 CA SER A 67 -18.808 18.370 11.575 1.00 0.00 C ATOM 1037 C SER A 67 -19.143 17.484 10.360 1.00 0.00 C ATOM 1038 O SER A 67 -18.882 17.859 9.211 1.00 0.00 O ATOM 1039 CB SER A 67 -17.563 19.219 11.298 1.00 0.00 C ATOM 1040 OG SER A 67 -17.784 20.140 10.242 1.00 0.00 O ATOM 0 HA SER A 67 -19.667 19.021 11.739 1.00 0.00 H new ATOM 0 HB2 SER A 67 -17.283 19.761 12.201 1.00 0.00 H new ATOM 0 HB3 SER A 67 -16.727 18.568 11.045 1.00 0.00 H new ATOM 0 HG SER A 67 -18.256 19.691 9.510 1.00 0.00 H new ATOM 1046 N ARG A 68 -19.735 16.332 10.610 1.00 0.00 N ATOM 1047 CA ARG A 68 -20.096 15.415 9.539 1.00 0.00 C ATOM 1048 C ARG A 68 -21.523 14.913 9.758 1.00 0.00 C ATOM 1049 O ARG A 68 -21.974 14.809 10.901 1.00 0.00 O ATOM 1050 CB ARG A 68 -19.104 14.245 9.496 1.00 0.00 C ATOM 1051 CG ARG A 68 -18.888 13.645 8.110 1.00 0.00 C ATOM 1052 CD ARG A 68 -18.322 14.686 7.146 1.00 0.00 C ATOM 1053 NE ARG A 68 -17.856 14.093 5.884 1.00 0.00 N ATOM 1054 CZ ARG A 68 -17.975 14.671 4.684 1.00 0.00 C ATOM 1055 NH1 ARG A 68 -18.622 15.820 4.555 1.00 0.00 N ATOM 1056 NH2 ARG A 68 -17.451 14.092 3.608 1.00 0.00 N ATOM 0 H ARG A 68 -19.978 16.006 11.546 1.00 0.00 H new ATOM 0 HA ARG A 68 -20.052 15.934 8.581 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -18.144 14.586 9.884 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -19.458 13.461 10.166 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -18.205 12.798 8.179 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -19.833 13.262 7.724 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -19.088 15.432 6.932 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -17.494 15.208 7.626 1.00 0.00 H new ATOM 0 HE ARG A 68 -17.411 13.176 5.927 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -19.033 16.269 5.374 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -18.709 16.256 3.637 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -16.956 13.204 3.696 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -17.544 14.535 2.694 1.00 0.00 H new ATOM 1070 N GLU A 69 -22.238 14.629 8.672 1.00 0.00 N ATOM 1071 CA GLU A 69 -23.624 14.170 8.771 1.00 0.00 C ATOM 1072 C GLU A 69 -23.700 12.712 9.216 1.00 0.00 C ATOM 1073 O GLU A 69 -22.829 11.909 8.898 1.00 0.00 O ATOM 1074 CB GLU A 69 -24.402 14.386 7.453 1.00 0.00 C ATOM 1075 CG GLU A 69 -23.746 13.791 6.210 1.00 0.00 C ATOM 1076 CD GLU A 69 -22.599 14.632 5.683 1.00 0.00 C ATOM 1077 OE1 GLU A 69 -22.858 15.691 5.069 1.00 0.00 O ATOM 1078 OE2 GLU A 69 -21.437 14.244 5.876 1.00 0.00 O ATOM 0 H GLU A 69 -21.885 14.707 7.718 1.00 0.00 H new ATOM 0 HA GLU A 69 -24.103 14.781 9.536 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -25.397 13.955 7.562 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -24.534 15.457 7.298 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -23.379 12.792 6.443 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -24.497 13.680 5.428 1.00 0.00 H new ATOM 1085 N HIS A 70 -24.750 12.378 9.947 1.00 0.00 N ATOM 1086 CA HIS A 70 -24.915 11.036 10.495 1.00 0.00 C ATOM 1087 C HIS A 70 -26.389 10.720 10.722 1.00 0.00 C ATOM 1088 O HIS A 70 -27.242 11.603 10.639 1.00 0.00 O ATOM 1089 CB HIS A 70 -24.150 10.911 11.825 1.00 0.00 C ATOM 1090 CG HIS A 70 -24.616 11.880 12.879 1.00 0.00 C ATOM 1091 ND1 HIS A 70 -24.141 13.171 12.974 1.00 0.00 N ATOM 1092 CD2 HIS A 70 -25.537 11.751 13.863 1.00 0.00 C ATOM 1093 CE1 HIS A 70 -24.746 13.791 13.962 1.00 0.00 C ATOM 1094 NE2 HIS A 70 -25.597 12.956 14.516 1.00 0.00 N ATOM 0 H HIS A 70 -25.508 13.021 10.178 1.00 0.00 H new ATOM 0 HA HIS A 70 -24.512 10.323 9.776 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -24.259 9.895 12.203 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -23.088 11.070 11.640 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -26.115 10.867 14.091 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -24.574 14.813 14.267 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -26.205 13.170 15.306 1.00 0.00 H new ATOM 1102 N GLY A 71 -26.671 9.462 11.016 1.00 0.00 N ATOM 1103 CA GLY A 71 -28.017 9.037 11.315 1.00 0.00 C ATOM 1104 C GLY A 71 -28.182 8.783 12.799 1.00 0.00 C ATOM 1105 O GLY A 71 -27.357 9.222 13.596 1.00 0.00 O ATOM 0 H GLY A 71 -25.976 8.716 11.053 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -28.725 9.800 10.991 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -28.249 8.129 10.758 1.00 0.00 H new ATOM 1109 N ARG A 72 -29.239 8.086 13.180 1.00 0.00 N ATOM 1110 CA ARG A 72 -29.476 7.800 14.594 1.00 0.00 C ATOM 1111 C ARG A 72 -28.923 6.445 14.987 1.00 0.00 C ATOM 1112 O ARG A 72 -28.712 6.169 16.165 1.00 0.00 O ATOM 1113 CB ARG A 72 -30.965 7.886 14.923 1.00 0.00 C ATOM 1114 CG ARG A 72 -31.544 9.286 14.787 1.00 0.00 C ATOM 1115 CD ARG A 72 -33.034 9.293 15.074 1.00 0.00 C ATOM 1116 NE ARG A 72 -33.632 10.624 14.922 1.00 0.00 N ATOM 1117 CZ ARG A 72 -34.950 10.838 14.801 1.00 0.00 C ATOM 1118 NH1 ARG A 72 -35.796 9.810 14.829 1.00 0.00 N ATOM 1119 NH2 ARG A 72 -35.416 12.072 14.653 1.00 0.00 N ATOM 0 H ARG A 72 -29.941 7.710 12.543 1.00 0.00 H new ATOM 0 HA ARG A 72 -28.948 8.557 15.174 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -31.512 7.211 14.265 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -31.123 7.535 15.943 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -31.035 9.961 15.475 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -31.363 9.661 13.780 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -33.533 8.596 14.401 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -33.206 8.935 16.089 1.00 0.00 H new ATOM 0 HE ARG A 72 -33.010 11.432 14.908 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -35.441 8.860 14.942 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -36.799 9.972 14.737 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -34.771 12.862 14.631 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -36.419 12.231 14.561 1.00 0.00 H new ATOM 1133 N THR A 73 -28.708 5.607 14.008 1.00 0.00 N ATOM 1134 CA THR A 73 -28.191 4.288 14.252 1.00 0.00 C ATOM 1135 C THR A 73 -26.901 4.033 13.468 1.00 0.00 C ATOM 1136 O THR A 73 -26.277 2.971 13.595 1.00 0.00 O ATOM 1137 CB THR A 73 -29.237 3.245 13.881 1.00 0.00 C ATOM 1138 OG1 THR A 73 -29.798 3.558 12.594 1.00 0.00 O ATOM 1139 CG2 THR A 73 -30.342 3.184 14.928 1.00 0.00 C ATOM 0 H THR A 73 -28.885 5.818 13.026 1.00 0.00 H new ATOM 0 HA THR A 73 -27.957 4.212 15.314 1.00 0.00 H new ATOM 0 HB THR A 73 -28.752 2.270 13.840 1.00 0.00 H new ATOM 0 HG1 THR A 73 -30.469 2.884 12.357 1.00 0.00 H new ATOM 0 HG21 THR A 73 -31.076 2.432 14.639 1.00 0.00 H new ATOM 0 HG22 THR A 73 -29.913 2.920 15.895 1.00 0.00 H new ATOM 0 HG23 THR A 73 -30.829 4.157 15.000 1.00 0.00 H new ATOM 1147 N TRP A 74 -26.504 5.012 12.668 1.00 0.00 N ATOM 1148 CA TRP A 74 -25.319 4.894 11.835 1.00 0.00 C ATOM 1149 C TRP A 74 -24.588 6.226 11.760 1.00 0.00 C ATOM 1150 O TRP A 74 -25.210 7.281 11.805 1.00 0.00 O ATOM 1151 CB TRP A 74 -25.700 4.405 10.426 1.00 0.00 C ATOM 1152 CG TRP A 74 -26.768 5.229 9.750 1.00 0.00 C ATOM 1153 CD1 TRP A 74 -28.120 5.068 9.860 1.00 0.00 C ATOM 1154 CD2 TRP A 74 -26.569 6.329 8.848 1.00 0.00 C ATOM 1155 NE1 TRP A 74 -28.773 6.000 9.092 1.00 0.00 N ATOM 1156 CE2 TRP A 74 -27.843 6.787 8.461 1.00 0.00 C ATOM 1157 CE3 TRP A 74 -25.437 6.972 8.336 1.00 0.00 C ATOM 1158 CZ2 TRP A 74 -28.019 7.855 7.586 1.00 0.00 C ATOM 1159 CZ3 TRP A 74 -25.613 8.035 7.465 1.00 0.00 C ATOM 1160 CH2 TRP A 74 -26.896 8.466 7.099 1.00 0.00 C ATOM 0 H TRP A 74 -26.991 5.904 12.579 1.00 0.00 H new ATOM 0 HA TRP A 74 -24.650 4.160 12.285 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -24.807 4.405 9.800 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -26.042 3.372 10.493 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -28.605 4.316 10.464 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -29.785 6.092 9.005 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -24.446 6.646 8.614 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -29.006 8.189 7.302 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -24.748 8.540 7.061 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -27.000 9.298 6.418 1.00 0.00 H new ATOM 1171 N THR A 75 -23.286 6.172 11.644 1.00 0.00 N ATOM 1172 CA THR A 75 -22.483 7.373 11.597 1.00 0.00 C ATOM 1173 C THR A 75 -21.545 7.375 10.390 1.00 0.00 C ATOM 1174 O THR A 75 -20.872 6.379 10.107 1.00 0.00 O ATOM 1175 CB THR A 75 -21.653 7.529 12.883 1.00 0.00 C ATOM 1176 OG1 THR A 75 -22.521 7.512 14.025 1.00 0.00 O ATOM 1177 CG2 THR A 75 -20.863 8.828 12.868 1.00 0.00 C ATOM 0 H THR A 75 -22.754 5.304 11.580 1.00 0.00 H new ATOM 0 HA THR A 75 -23.172 8.213 11.506 1.00 0.00 H new ATOM 0 HB THR A 75 -20.951 6.697 12.939 1.00 0.00 H new ATOM 0 HG1 THR A 75 -22.221 6.823 14.654 1.00 0.00 H new ATOM 0 HG21 THR A 75 -20.285 8.913 13.788 1.00 0.00 H new ATOM 0 HG22 THR A 75 -20.187 8.833 12.013 1.00 0.00 H new ATOM 0 HG23 THR A 75 -21.550 9.671 12.792 1.00 0.00 H new ATOM 1185 N LYS A 76 -21.526 8.487 9.681 1.00 0.00 N ATOM 1186 CA LYS A 76 -20.631 8.677 8.561 1.00 0.00 C ATOM 1187 C LYS A 76 -19.342 9.321 9.058 1.00 0.00 C ATOM 1188 O LYS A 76 -19.345 10.468 9.503 1.00 0.00 O ATOM 1189 CB LYS A 76 -21.296 9.589 7.532 1.00 0.00 C ATOM 1190 CG LYS A 76 -20.421 9.978 6.361 1.00 0.00 C ATOM 1191 CD LYS A 76 -21.134 11.005 5.508 1.00 0.00 C ATOM 1192 CE LYS A 76 -20.263 11.504 4.384 1.00 0.00 C ATOM 1193 NZ LYS A 76 -20.929 12.587 3.621 1.00 0.00 N ATOM 0 H LYS A 76 -22.133 9.285 9.868 1.00 0.00 H new ATOM 0 HA LYS A 76 -20.405 7.716 8.099 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -22.187 9.091 7.150 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -21.629 10.497 8.035 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -19.475 10.384 6.721 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -20.184 9.097 5.764 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -22.043 10.567 5.096 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -21.440 11.845 6.131 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -19.319 11.870 4.788 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -20.024 10.679 3.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -20.383 12.791 2.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -21.890 12.287 3.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -20.982 13.444 4.208 1.00 0.00 H new ATOM 1207 N LEU A 77 -18.253 8.594 8.981 1.00 0.00 N ATOM 1208 CA LEU A 77 -16.981 9.105 9.451 1.00 0.00 C ATOM 1209 C LEU A 77 -16.013 9.319 8.309 1.00 0.00 C ATOM 1210 O LEU A 77 -15.741 8.411 7.533 1.00 0.00 O ATOM 1211 CB LEU A 77 -16.375 8.162 10.490 1.00 0.00 C ATOM 1212 CG LEU A 77 -17.177 8.004 11.779 1.00 0.00 C ATOM 1213 CD1 LEU A 77 -16.531 6.970 12.686 1.00 0.00 C ATOM 1214 CD2 LEU A 77 -17.298 9.339 12.493 1.00 0.00 C ATOM 0 H LEU A 77 -18.219 7.649 8.599 1.00 0.00 H new ATOM 0 HA LEU A 77 -17.167 10.072 9.918 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -16.253 7.179 10.036 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -15.378 8.522 10.744 1.00 0.00 H new ATOM 0 HG LEU A 77 -18.178 7.657 11.523 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -17.117 6.871 13.600 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -16.493 6.009 12.173 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -15.519 7.287 12.936 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -17.872 9.210 13.410 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -16.304 9.713 12.737 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -17.805 10.054 11.845 1.00 0.00 H new ATOM 1226 N THR A 78 -15.511 10.528 8.206 1.00 0.00 N ATOM 1227 CA THR A 78 -14.545 10.878 7.194 1.00 0.00 C ATOM 1228 C THR A 78 -13.203 11.139 7.855 1.00 0.00 C ATOM 1229 O THR A 78 -13.103 11.963 8.757 1.00 0.00 O ATOM 1230 CB THR A 78 -15.007 12.122 6.415 1.00 0.00 C ATOM 1231 OG1 THR A 78 -16.309 11.866 5.864 1.00 0.00 O ATOM 1232 CG2 THR A 78 -14.039 12.457 5.290 1.00 0.00 C ATOM 0 H THR A 78 -15.763 11.298 8.825 1.00 0.00 H new ATOM 0 HA THR A 78 -14.448 10.053 6.488 1.00 0.00 H new ATOM 0 HB THR A 78 -15.041 12.971 7.098 1.00 0.00 H new ATOM 0 HG1 THR A 78 -16.943 11.690 6.590 1.00 0.00 H new ATOM 0 HG21 THR A 78 -14.392 13.340 4.757 1.00 0.00 H new ATOM 0 HG22 THR A 78 -13.051 12.655 5.707 1.00 0.00 H new ATOM 0 HG23 THR A 78 -13.980 11.616 4.599 1.00 0.00 H new ATOM 1240 N TYR A 79 -12.180 10.424 7.425 1.00 0.00 N ATOM 1241 CA TYR A 79 -10.872 10.549 8.047 1.00 0.00 C ATOM 1242 C TYR A 79 -9.929 11.369 7.186 1.00 0.00 C ATOM 1243 O TYR A 79 -8.793 11.629 7.582 1.00 0.00 O ATOM 1244 CB TYR A 79 -10.267 9.165 8.284 1.00 0.00 C ATOM 1245 CG TYR A 79 -11.196 8.209 8.992 1.00 0.00 C ATOM 1246 CD1 TYR A 79 -11.392 8.281 10.364 1.00 0.00 C ATOM 1247 CD2 TYR A 79 -11.890 7.240 8.282 1.00 0.00 C ATOM 1248 CE1 TYR A 79 -12.252 7.409 11.007 1.00 0.00 C ATOM 1249 CE2 TYR A 79 -12.748 6.369 8.914 1.00 0.00 C ATOM 1250 CZ TYR A 79 -12.926 6.457 10.277 1.00 0.00 C ATOM 1251 OH TYR A 79 -13.783 5.591 10.910 1.00 0.00 O ATOM 0 H TYR A 79 -12.226 9.756 6.655 1.00 0.00 H new ATOM 0 HA TYR A 79 -11.005 11.061 9.000 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -9.980 8.735 7.325 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -9.355 9.273 8.871 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -10.865 9.029 10.938 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -11.754 7.168 7.213 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -12.394 7.475 12.076 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -13.279 5.621 8.344 1.00 0.00 H new ATOM 0 HH TYR A 79 -14.643 5.581 10.441 1.00 0.00 H new ATOM 1261 N ALA A 80 -10.412 11.763 5.998 1.00 0.00 N ATOM 1262 CA ALA A 80 -9.628 12.535 5.009 1.00 0.00 C ATOM 1263 C ALA A 80 -8.515 11.688 4.378 1.00 0.00 C ATOM 1264 O ALA A 80 -8.215 11.828 3.197 1.00 0.00 O ATOM 1265 CB ALA A 80 -9.060 13.817 5.618 1.00 0.00 C ATOM 0 H ALA A 80 -11.362 11.556 5.690 1.00 0.00 H new ATOM 0 HA ALA A 80 -10.316 12.820 4.213 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -8.490 14.358 4.862 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -9.878 14.444 5.974 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -8.407 13.565 6.453 1.00 0.00 H new ATOM 1271 N ASN A 81 -7.916 10.818 5.168 1.00 0.00 N ATOM 1272 CA ASN A 81 -6.868 9.932 4.690 1.00 0.00 C ATOM 1273 C ASN A 81 -7.443 8.564 4.403 1.00 0.00 C ATOM 1274 O ASN A 81 -8.268 8.054 5.166 1.00 0.00 O ATOM 1275 CB ASN A 81 -5.749 9.802 5.732 1.00 0.00 C ATOM 1276 CG ASN A 81 -5.022 11.111 6.013 1.00 0.00 C ATOM 1277 OD1 ASN A 81 -4.558 11.344 7.127 1.00 0.00 O ATOM 1278 ND2 ASN A 81 -4.898 11.957 5.010 1.00 0.00 N ATOM 0 H ASN A 81 -8.140 10.704 6.157 1.00 0.00 H new ATOM 0 HA ASN A 81 -6.452 10.357 3.776 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -6.173 9.424 6.663 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -5.027 9.062 5.387 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -4.404 12.839 5.145 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -5.296 11.730 4.099 1.00 0.00 H new ATOM 1285 N HIS A 82 -7.001 7.958 3.318 1.00 0.00 N ATOM 1286 CA HIS A 82 -7.487 6.643 2.934 1.00 0.00 C ATOM 1287 C HIS A 82 -6.777 5.562 3.738 1.00 0.00 C ATOM 1288 O HIS A 82 -7.206 4.417 3.777 1.00 0.00 O ATOM 1289 CB HIS A 82 -7.304 6.412 1.424 1.00 0.00 C ATOM 1290 CG HIS A 82 -5.886 6.172 0.985 1.00 0.00 C ATOM 1291 ND1 HIS A 82 -4.974 7.183 0.770 1.00 0.00 N ATOM 1292 CD2 HIS A 82 -5.228 5.020 0.724 1.00 0.00 C ATOM 1293 CE1 HIS A 82 -3.819 6.659 0.395 1.00 0.00 C ATOM 1294 NE2 HIS A 82 -3.949 5.350 0.362 1.00 0.00 N ATOM 0 H HIS A 82 -6.306 8.354 2.685 1.00 0.00 H new ATOM 0 HA HIS A 82 -8.553 6.591 3.154 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -7.910 5.556 1.127 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -7.692 7.279 0.889 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -5.636 4.022 0.789 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -2.922 7.211 0.157 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -3.216 4.688 0.108 1.00 0.00 H new ATOM 1302 N SER A 83 -5.674 5.940 4.360 1.00 0.00 N ATOM 1303 CA SER A 83 -4.899 5.027 5.184 1.00 0.00 C ATOM 1304 C SER A 83 -5.734 4.530 6.370 1.00 0.00 C ATOM 1305 O SER A 83 -5.693 3.351 6.723 1.00 0.00 O ATOM 1306 CB SER A 83 -3.646 5.743 5.687 1.00 0.00 C ATOM 1307 OG SER A 83 -2.944 6.342 4.606 1.00 0.00 O ATOM 0 H SER A 83 -5.291 6.884 4.309 1.00 0.00 H new ATOM 0 HA SER A 83 -4.611 4.163 4.585 1.00 0.00 H new ATOM 0 HB2 SER A 83 -3.924 6.506 6.414 1.00 0.00 H new ATOM 0 HB3 SER A 83 -2.997 5.034 6.201 1.00 0.00 H new ATOM 0 HG SER A 83 -2.146 6.797 4.947 1.00 0.00 H new ATOM 1313 N SER A 84 -6.506 5.436 6.961 1.00 0.00 N ATOM 1314 CA SER A 84 -7.339 5.114 8.110 1.00 0.00 C ATOM 1315 C SER A 84 -8.534 4.243 7.706 1.00 0.00 C ATOM 1316 O SER A 84 -9.139 3.580 8.549 1.00 0.00 O ATOM 1317 CB SER A 84 -7.819 6.403 8.769 1.00 0.00 C ATOM 1318 OG SER A 84 -6.737 7.306 8.936 1.00 0.00 O ATOM 0 H SER A 84 -6.571 6.408 6.658 1.00 0.00 H new ATOM 0 HA SER A 84 -6.741 4.544 8.821 1.00 0.00 H new ATOM 0 HB2 SER A 84 -8.595 6.864 8.158 1.00 0.00 H new ATOM 0 HB3 SER A 84 -8.267 6.179 9.737 1.00 0.00 H new ATOM 0 HG SER A 84 -7.060 8.129 9.358 1.00 0.00 H new ATOM 1324 N TYR A 85 -8.849 4.239 6.413 1.00 0.00 N ATOM 1325 CA TYR A 85 -9.965 3.458 5.880 1.00 0.00 C ATOM 1326 C TYR A 85 -9.767 1.970 6.153 1.00 0.00 C ATOM 1327 O TYR A 85 -10.658 1.306 6.670 1.00 0.00 O ATOM 1328 CB TYR A 85 -10.086 3.711 4.365 1.00 0.00 C ATOM 1329 CG TYR A 85 -11.099 2.841 3.637 1.00 0.00 C ATOM 1330 CD1 TYR A 85 -12.428 3.223 3.531 1.00 0.00 C ATOM 1331 CD2 TYR A 85 -10.709 1.645 3.038 1.00 0.00 C ATOM 1332 CE1 TYR A 85 -13.341 2.437 2.853 1.00 0.00 C ATOM 1333 CE2 TYR A 85 -11.615 0.856 2.363 1.00 0.00 C ATOM 1334 CZ TYR A 85 -12.928 1.253 2.271 1.00 0.00 C ATOM 1335 OH TYR A 85 -13.833 0.468 1.597 1.00 0.00 O ATOM 0 H TYR A 85 -8.342 4.773 5.708 1.00 0.00 H new ATOM 0 HA TYR A 85 -10.884 3.771 6.376 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -10.351 4.757 4.209 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -9.108 3.559 3.909 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -12.754 4.147 3.984 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -9.678 1.331 3.104 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -14.373 2.747 2.778 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -11.295 -0.070 1.908 1.00 0.00 H new ATOM 0 HH TYR A 85 -13.380 -0.328 1.248 1.00 0.00 H new ATOM 1345 N LEU A 86 -8.584 1.466 5.829 1.00 0.00 N ATOM 1346 CA LEU A 86 -8.270 0.052 6.021 1.00 0.00 C ATOM 1347 C LEU A 86 -8.287 -0.321 7.500 1.00 0.00 C ATOM 1348 O LEU A 86 -8.807 -1.369 7.885 1.00 0.00 O ATOM 1349 CB LEU A 86 -6.897 -0.299 5.414 1.00 0.00 C ATOM 1350 CG LEU A 86 -6.790 -0.298 3.877 1.00 0.00 C ATOM 1351 CD1 LEU A 86 -7.899 -1.132 3.252 1.00 0.00 C ATOM 1352 CD2 LEU A 86 -6.788 1.117 3.316 1.00 0.00 C ATOM 0 H LEU A 86 -7.822 2.015 5.431 1.00 0.00 H new ATOM 0 HA LEU A 86 -9.040 -0.522 5.506 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -6.164 0.406 5.805 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -6.611 -1.288 5.773 1.00 0.00 H new ATOM 0 HG LEU A 86 -5.835 -0.754 3.615 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -7.800 -1.114 2.167 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -7.825 -2.160 3.606 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -8.868 -0.720 3.535 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -6.711 1.077 2.229 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -7.713 1.621 3.596 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -5.938 1.667 3.720 1.00 0.00 H new ATOM 1364 N ARG A 87 -7.718 0.543 8.315 1.00 0.00 N ATOM 1365 CA ARG A 87 -7.623 0.306 9.749 1.00 0.00 C ATOM 1366 C ARG A 87 -9.000 0.345 10.423 1.00 0.00 C ATOM 1367 O ARG A 87 -9.308 -0.488 11.271 1.00 0.00 O ATOM 1368 CB ARG A 87 -6.678 1.329 10.380 1.00 0.00 C ATOM 1369 CG ARG A 87 -6.426 1.126 11.865 1.00 0.00 C ATOM 1370 CD ARG A 87 -5.363 2.089 12.363 1.00 0.00 C ATOM 1371 NE ARG A 87 -4.070 1.845 11.714 1.00 0.00 N ATOM 1372 CZ ARG A 87 -3.081 2.737 11.638 1.00 0.00 C ATOM 1373 NH1 ARG A 87 -3.225 3.946 12.171 1.00 0.00 N ATOM 1374 NH2 ARG A 87 -1.948 2.423 11.022 1.00 0.00 N ATOM 0 H ARG A 87 -7.309 1.426 8.009 1.00 0.00 H new ATOM 0 HA ARG A 87 -7.220 -0.695 9.904 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -5.723 1.295 9.855 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -7.090 2.327 10.228 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -7.351 1.278 12.421 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -6.109 0.099 12.049 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -5.680 3.114 12.171 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -5.255 1.986 13.443 1.00 0.00 H new ATOM 0 HE ARG A 87 -3.917 0.929 11.291 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -4.095 4.196 12.641 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -2.465 4.624 12.110 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -1.833 1.499 10.606 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -1.193 3.106 10.965 1.00 0.00 H new ATOM 1388 N ALA A 88 -9.828 1.307 10.030 1.00 0.00 N ATOM 1389 CA ALA A 88 -11.165 1.466 10.607 1.00 0.00 C ATOM 1390 C ALA A 88 -12.139 0.417 10.070 1.00 0.00 C ATOM 1391 O ALA A 88 -13.223 0.226 10.611 1.00 0.00 O ATOM 1392 CB ALA A 88 -11.694 2.868 10.344 1.00 0.00 C ATOM 0 H ALA A 88 -9.598 1.993 9.311 1.00 0.00 H new ATOM 0 HA ALA A 88 -11.081 1.317 11.683 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -12.688 2.969 10.779 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -11.024 3.600 10.795 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -11.749 3.040 9.269 1.00 0.00 H new ATOM 1398 N LEU A 89 -11.736 -0.259 9.009 1.00 0.00 N ATOM 1399 CA LEU A 89 -12.558 -1.286 8.376 1.00 0.00 C ATOM 1400 C LEU A 89 -12.477 -2.605 9.159 1.00 0.00 C ATOM 1401 O LEU A 89 -13.161 -3.578 8.836 1.00 0.00 O ATOM 1402 CB LEU A 89 -12.106 -1.501 6.920 1.00 0.00 C ATOM 1403 CG LEU A 89 -12.984 -2.421 6.065 1.00 0.00 C ATOM 1404 CD1 LEU A 89 -14.377 -1.831 5.897 1.00 0.00 C ATOM 1405 CD2 LEU A 89 -12.336 -2.668 4.711 1.00 0.00 C ATOM 0 H LEU A 89 -10.832 -0.115 8.559 1.00 0.00 H new ATOM 0 HA LEU A 89 -13.595 -0.950 8.379 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -12.052 -0.528 6.431 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -11.095 -1.908 6.932 1.00 0.00 H new ATOM 0 HG LEU A 89 -13.081 -3.378 6.578 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -14.984 -2.500 5.287 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -14.842 -1.711 6.876 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -14.304 -0.860 5.408 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -12.973 -3.323 4.117 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -12.207 -1.719 4.191 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -11.363 -3.139 4.854 1.00 0.00 H new ATOM 1417 N ARG A 90 -11.603 -2.627 10.171 1.00 0.00 N ATOM 1418 CA ARG A 90 -11.373 -3.818 10.995 1.00 0.00 C ATOM 1419 C ARG A 90 -12.672 -4.459 11.506 1.00 0.00 C ATOM 1420 O ARG A 90 -13.358 -3.922 12.377 1.00 0.00 O ATOM 1421 CB ARG A 90 -10.467 -3.501 12.197 1.00 0.00 C ATOM 1422 CG ARG A 90 -11.003 -2.424 13.134 1.00 0.00 C ATOM 1423 CD ARG A 90 -10.253 -2.428 14.451 1.00 0.00 C ATOM 1424 NE ARG A 90 -10.526 -3.657 15.213 1.00 0.00 N ATOM 1425 CZ ARG A 90 -9.636 -4.292 15.983 1.00 0.00 C ATOM 1426 NH1 ARG A 90 -8.408 -3.809 16.125 1.00 0.00 N ATOM 1427 NH2 ARG A 90 -9.983 -5.414 16.606 1.00 0.00 N ATOM 0 H ARG A 90 -11.037 -1.823 10.441 1.00 0.00 H new ATOM 0 HA ARG A 90 -10.880 -4.534 10.337 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -10.312 -4.416 12.769 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -9.491 -3.188 11.826 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -10.910 -1.446 12.661 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -12.065 -2.590 13.316 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -9.183 -2.343 14.264 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -10.543 -1.559 15.041 1.00 0.00 H new ATOM 0 HE ARG A 90 -11.463 -4.054 15.149 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -8.139 -2.950 15.646 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -7.733 -4.297 16.713 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -10.926 -5.788 16.496 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -9.307 -5.901 17.194 1.00 0.00 H new ATOM 1441 N GLU A 91 -12.995 -5.610 10.961 1.00 0.00 N ATOM 1442 CA GLU A 91 -14.138 -6.377 11.423 1.00 0.00 C ATOM 1443 C GLU A 91 -13.652 -7.613 12.161 1.00 0.00 C ATOM 1444 O GLU A 91 -14.443 -8.463 12.577 1.00 0.00 O ATOM 1445 CB GLU A 91 -15.021 -6.796 10.248 1.00 0.00 C ATOM 1446 CG GLU A 91 -14.293 -7.633 9.209 1.00 0.00 C ATOM 1447 CD GLU A 91 -15.232 -8.261 8.216 1.00 0.00 C ATOM 1448 OE1 GLU A 91 -15.783 -9.341 8.519 1.00 0.00 O ATOM 1449 OE2 GLU A 91 -15.425 -7.691 7.130 1.00 0.00 O ATOM 0 H GLU A 91 -12.481 -6.041 10.192 1.00 0.00 H new ATOM 0 HA GLU A 91 -14.729 -5.753 12.094 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -15.872 -7.362 10.627 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -15.421 -5.903 9.768 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -13.575 -7.006 8.680 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -13.724 -8.415 9.711 1.00 0.00 H new ATOM 1456 N HIS A 92 -12.340 -7.704 12.320 1.00 0.00 N ATOM 1457 CA HIS A 92 -11.715 -8.855 12.950 1.00 0.00 C ATOM 1458 C HIS A 92 -11.888 -8.821 14.455 1.00 0.00 C ATOM 1459 O HIS A 92 -11.105 -8.189 15.166 1.00 0.00 O ATOM 1460 CB HIS A 92 -10.227 -8.916 12.602 1.00 0.00 C ATOM 1461 CG HIS A 92 -9.949 -9.129 11.146 1.00 0.00 C ATOM 1462 ND1 HIS A 92 -9.922 -8.097 10.228 1.00 0.00 N ATOM 1463 CD2 HIS A 92 -9.680 -10.256 10.446 1.00 0.00 C ATOM 1464 CE1 HIS A 92 -9.650 -8.583 9.033 1.00 0.00 C ATOM 1465 NE2 HIS A 92 -9.498 -9.885 9.137 1.00 0.00 N ATOM 0 H HIS A 92 -11.682 -6.985 12.017 1.00 0.00 H new ATOM 0 HA HIS A 92 -12.209 -9.748 12.567 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -9.752 -7.988 12.920 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -9.764 -9.722 13.171 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -9.620 -11.259 10.843 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -9.566 -8.009 8.122 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -9.280 -10.518 8.368 1.00 0.00 H new ATOM 1473 N GLY A 93 -12.939 -9.473 14.927 1.00 0.00 N ATOM 1474 CA GLY A 93 -13.182 -9.568 16.352 1.00 0.00 C ATOM 1475 C GLY A 93 -13.464 -8.228 16.998 1.00 0.00 C ATOM 1476 O GLY A 93 -13.178 -8.033 18.179 1.00 0.00 O ATOM 0 H GLY A 93 -13.633 -9.941 14.344 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -14.027 -10.234 16.527 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -12.315 -10.021 16.833 1.00 0.00 H new ATOM 1480 N THR A 94 -14.020 -7.303 16.238 1.00 0.00 N ATOM 1481 CA THR A 94 -14.323 -5.996 16.771 1.00 0.00 C ATOM 1482 C THR A 94 -15.654 -6.024 17.524 1.00 0.00 C ATOM 1483 O THR A 94 -16.707 -5.695 16.976 1.00 0.00 O ATOM 1484 CB THR A 94 -14.369 -4.922 15.658 1.00 0.00 C ATOM 1485 OG1 THR A 94 -13.192 -5.028 14.831 1.00 0.00 O ATOM 1486 CG2 THR A 94 -14.420 -3.523 16.263 1.00 0.00 C ATOM 0 H THR A 94 -14.268 -7.434 15.257 1.00 0.00 H new ATOM 0 HA THR A 94 -13.523 -5.730 17.462 1.00 0.00 H new ATOM 0 HB THR A 94 -15.265 -5.087 15.060 1.00 0.00 H new ATOM 0 HG1 THR A 94 -13.312 -4.491 14.020 1.00 0.00 H new ATOM 0 HG21 THR A 94 -14.452 -2.782 15.464 1.00 0.00 H new ATOM 0 HG22 THR A 94 -15.311 -3.427 16.883 1.00 0.00 H new ATOM 0 HG23 THR A 94 -13.533 -3.359 16.875 1.00 0.00 H new ATOM 1494 N ILE A 95 -15.592 -6.457 18.778 1.00 0.00 N ATOM 1495 CA ILE A 95 -16.766 -6.545 19.626 1.00 0.00 C ATOM 1496 C ILE A 95 -16.689 -5.523 20.739 1.00 0.00 C ATOM 1497 O ILE A 95 -15.699 -5.463 21.479 1.00 0.00 O ATOM 1498 CB ILE A 95 -16.919 -7.967 20.242 1.00 0.00 C ATOM 1499 CG1 ILE A 95 -17.173 -9.003 19.142 1.00 0.00 C ATOM 1500 CG2 ILE A 95 -18.044 -7.994 21.271 1.00 0.00 C ATOM 1501 CD1 ILE A 95 -17.142 -10.436 19.639 1.00 0.00 C ATOM 0 H ILE A 95 -14.728 -6.755 19.231 1.00 0.00 H new ATOM 0 HA ILE A 95 -17.636 -6.343 19.001 1.00 0.00 H new ATOM 0 HB ILE A 95 -15.988 -8.221 20.749 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -18.143 -8.806 18.686 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -16.423 -8.882 18.360 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -18.132 -8.997 21.688 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -17.823 -7.287 22.071 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -18.983 -7.717 20.791 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -17.330 -11.114 18.806 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -16.164 -10.651 20.069 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -17.911 -10.574 20.400 1.00 0.00 H new ATOM 1513 N TYR A 96 -17.724 -4.719 20.849 1.00 0.00 N ATOM 1514 CA TYR A 96 -17.787 -3.701 21.870 1.00 0.00 C ATOM 1515 C TYR A 96 -19.181 -3.695 22.491 1.00 0.00 C ATOM 1516 O TYR A 96 -20.177 -3.751 21.775 1.00 0.00 O ATOM 1517 CB TYR A 96 -17.458 -2.332 21.269 1.00 0.00 C ATOM 1518 CG TYR A 96 -16.972 -1.333 22.286 1.00 0.00 C ATOM 1519 CD1 TYR A 96 -15.617 -1.223 22.571 1.00 0.00 C ATOM 1520 CD2 TYR A 96 -17.857 -0.515 22.970 1.00 0.00 C ATOM 1521 CE1 TYR A 96 -15.159 -0.326 23.511 1.00 0.00 C ATOM 1522 CE2 TYR A 96 -17.407 0.388 23.906 1.00 0.00 C ATOM 1523 CZ TYR A 96 -16.055 0.477 24.174 1.00 0.00 C ATOM 1524 OH TYR A 96 -15.601 1.364 25.120 1.00 0.00 O ATOM 0 H TYR A 96 -18.539 -4.753 20.237 1.00 0.00 H new ATOM 0 HA TYR A 96 -17.053 -3.917 22.647 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -16.696 -2.455 20.499 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -18.347 -1.936 20.778 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -14.911 -1.851 22.047 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -18.915 -0.587 22.766 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -14.103 -0.255 23.725 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -18.107 1.023 24.428 1.00 0.00 H new ATOM 0 HH TYR A 96 -14.694 1.653 24.888 1.00 0.00 H new ATOM 1534 N CYS A 97 -19.239 -3.665 23.824 1.00 0.00 N ATOM 1535 CA CYS A 97 -20.509 -3.672 24.560 1.00 0.00 C ATOM 1536 C CYS A 97 -21.221 -5.027 24.399 1.00 0.00 C ATOM 1537 O CYS A 97 -22.411 -5.169 24.696 1.00 0.00 O ATOM 1538 CB CYS A 97 -21.414 -2.505 24.106 1.00 0.00 C ATOM 1539 SG CYS A 97 -22.939 -2.305 25.068 1.00 0.00 S ATOM 0 H CYS A 97 -18.414 -3.635 24.422 1.00 0.00 H new ATOM 0 HA CYS A 97 -20.293 -3.530 25.619 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -20.843 -1.578 24.161 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -21.679 -2.655 23.059 1.00 0.00 H new ATOM 0 HG CYS A 97 -23.438 -3.475 25.338 1.00 0.00 H new ATOM 1545 N GLY A 98 -20.469 -6.021 23.951 1.00 0.00 N ATOM 1546 CA GLY A 98 -21.011 -7.350 23.781 1.00 0.00 C ATOM 1547 C GLY A 98 -21.393 -7.657 22.349 1.00 0.00 C ATOM 1548 O GLY A 98 -21.662 -8.809 22.013 1.00 0.00 O ATOM 0 H GLY A 98 -19.485 -5.928 23.701 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -20.277 -8.081 24.120 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -21.889 -7.462 24.417 1.00 0.00 H new ATOM 1552 N ALA A 99 -21.398 -6.648 21.497 1.00 0.00 N ATOM 1553 CA ALA A 99 -21.779 -6.843 20.105 1.00 0.00 C ATOM 1554 C ALA A 99 -20.736 -6.284 19.154 1.00 0.00 C ATOM 1555 O ALA A 99 -20.064 -5.301 19.458 1.00 0.00 O ATOM 1556 CB ALA A 99 -23.132 -6.202 19.833 1.00 0.00 C ATOM 0 H ALA A 99 -21.145 -5.690 21.740 1.00 0.00 H new ATOM 0 HA ALA A 99 -21.848 -7.917 19.930 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -23.404 -6.356 18.789 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -23.886 -6.657 20.475 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -23.077 -5.133 20.040 1.00 0.00 H new ATOM 1562 N ALA A 100 -20.578 -6.933 18.023 1.00 0.00 N ATOM 1563 CA ALA A 100 -19.663 -6.470 17.001 1.00 0.00 C ATOM 1564 C ALA A 100 -20.277 -5.312 16.232 1.00 0.00 C ATOM 1565 O ALA A 100 -21.489 -5.301 15.967 1.00 0.00 O ATOM 1566 CB ALA A 100 -19.292 -7.608 16.057 1.00 0.00 C ATOM 0 H ALA A 100 -21.076 -7.791 17.785 1.00 0.00 H new ATOM 0 HA ALA A 100 -18.751 -6.120 17.484 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -18.604 -7.240 15.296 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -18.814 -8.408 16.622 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -20.193 -7.991 15.577 1.00 0.00 H new ATOM 1572 N ILE A 101 -19.457 -4.346 15.875 1.00 0.00 N ATOM 1573 CA ILE A 101 -19.925 -3.192 15.121 1.00 0.00 C ATOM 1574 C ILE A 101 -19.647 -3.388 13.641 1.00 0.00 C ATOM 1575 O ILE A 101 -18.742 -4.136 13.269 1.00 0.00 O ATOM 1576 CB ILE A 101 -19.271 -1.868 15.598 1.00 0.00 C ATOM 1577 CG1 ILE A 101 -17.746 -1.928 15.450 1.00 0.00 C ATOM 1578 CG2 ILE A 101 -19.664 -1.560 17.040 1.00 0.00 C ATOM 1579 CD1 ILE A 101 -17.051 -0.614 15.749 1.00 0.00 C ATOM 0 H ILE A 101 -18.461 -4.333 16.093 1.00 0.00 H new ATOM 0 HA ILE A 101 -20.998 -3.112 15.294 1.00 0.00 H new ATOM 0 HB ILE A 101 -19.640 -1.061 14.965 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -17.355 -2.695 16.118 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -17.501 -2.235 14.433 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -19.194 -0.628 17.354 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -20.747 -1.462 17.109 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -19.331 -2.370 17.689 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -15.975 -0.735 15.623 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -17.413 0.153 15.064 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -17.265 -0.314 16.775 1.00 0.00 H new ATOM 1591 N GLY A 102 -20.434 -2.741 12.804 1.00 0.00 N ATOM 1592 CA GLY A 102 -20.260 -2.888 11.379 1.00 0.00 C ATOM 1593 C GLY A 102 -19.853 -1.598 10.712 1.00 0.00 C ATOM 1594 O GLY A 102 -20.451 -0.548 10.955 1.00 0.00 O ATOM 0 H GLY A 102 -21.190 -2.117 13.084 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -19.503 -3.648 11.185 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -21.191 -3.244 10.937 1.00 0.00 H new ATOM 1598 N CYS A 103 -18.832 -1.670 9.887 1.00 0.00 N ATOM 1599 CA CYS A 103 -18.352 -0.518 9.160 1.00 0.00 C ATOM 1600 C CYS A 103 -18.171 -0.851 7.684 1.00 0.00 C ATOM 1601 O CYS A 103 -17.579 -1.868 7.336 1.00 0.00 O ATOM 1602 CB CYS A 103 -17.044 -0.009 9.770 1.00 0.00 C ATOM 1603 SG CYS A 103 -15.795 -1.289 10.029 1.00 0.00 S ATOM 0 H CYS A 103 -18.312 -2.528 9.702 1.00 0.00 H new ATOM 0 HA CYS A 103 -19.096 0.275 9.237 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -16.629 0.761 9.119 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -17.264 0.466 10.726 1.00 0.00 H new ATOM 0 HG CYS A 103 -14.687 -0.739 10.429 1.00 0.00 H new ATOM 1609 N VAL A 104 -18.713 -0.010 6.830 1.00 0.00 N ATOM 1610 CA VAL A 104 -18.611 -0.180 5.385 1.00 0.00 C ATOM 1611 C VAL A 104 -18.208 1.131 4.744 1.00 0.00 C ATOM 1612 O VAL A 104 -18.335 2.176 5.361 1.00 0.00 O ATOM 1613 CB VAL A 104 -19.967 -0.623 4.757 1.00 0.00 C ATOM 1614 CG1 VAL A 104 -20.286 -2.074 5.065 1.00 0.00 C ATOM 1615 CG2 VAL A 104 -21.094 0.281 5.233 1.00 0.00 C ATOM 0 H VAL A 104 -19.240 0.816 7.113 1.00 0.00 H new ATOM 0 HA VAL A 104 -17.865 -0.953 5.203 1.00 0.00 H new ATOM 0 HB VAL A 104 -19.871 -0.531 3.675 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -21.239 -2.342 4.609 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -19.499 -2.713 4.663 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -20.349 -2.211 6.144 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -22.034 -0.042 4.785 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -21.171 0.225 6.319 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -20.886 1.309 4.937 1.00 0.00 H new ATOM 1625 N PRO A 105 -17.703 1.105 3.503 1.00 0.00 N ATOM 1626 CA PRO A 105 -17.415 2.331 2.759 1.00 0.00 C ATOM 1627 C PRO A 105 -18.709 3.071 2.472 1.00 0.00 C ATOM 1628 O PRO A 105 -19.791 2.475 2.562 1.00 0.00 O ATOM 1629 CB PRO A 105 -16.792 1.820 1.451 1.00 0.00 C ATOM 1630 CG PRO A 105 -17.271 0.414 1.328 1.00 0.00 C ATOM 1631 CD PRO A 105 -17.359 -0.104 2.733 1.00 0.00 C ATOM 0 HA PRO A 105 -16.765 3.021 3.296 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -17.109 2.422 0.600 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -15.704 1.866 1.486 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -18.241 0.372 0.833 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -16.582 -0.184 0.732 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -18.120 -0.878 2.832 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -16.416 -0.540 3.064 1.00 0.00 H new ATOM 1639 N TYR A 106 -18.622 4.360 2.162 1.00 0.00 N ATOM 1640 CA TYR A 106 -19.819 5.131 1.871 1.00 0.00 C ATOM 1641 C TYR A 106 -20.559 4.536 0.672 1.00 0.00 C ATOM 1642 O TYR A 106 -20.203 4.771 -0.483 1.00 0.00 O ATOM 1643 CB TYR A 106 -19.482 6.599 1.620 1.00 0.00 C ATOM 1644 CG TYR A 106 -20.701 7.492 1.473 1.00 0.00 C ATOM 1645 CD1 TYR A 106 -21.338 8.014 2.592 1.00 0.00 C ATOM 1646 CD2 TYR A 106 -21.212 7.813 0.219 1.00 0.00 C ATOM 1647 CE1 TYR A 106 -22.446 8.828 2.468 1.00 0.00 C ATOM 1648 CE2 TYR A 106 -22.320 8.626 0.086 1.00 0.00 C ATOM 1649 CZ TYR A 106 -22.933 9.133 1.212 1.00 0.00 C ATOM 1650 OH TYR A 106 -24.038 9.952 1.083 1.00 0.00 O ATOM 0 H TYR A 106 -17.749 4.884 2.107 1.00 0.00 H new ATOM 0 HA TYR A 106 -20.472 5.082 2.742 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -18.871 6.968 2.444 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -18.877 6.674 0.716 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -20.960 7.779 3.576 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -20.734 7.419 -0.666 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -22.930 9.224 3.349 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -22.704 8.864 -0.895 1.00 0.00 H new ATOM 0 HH TYR A 106 -24.250 10.068 0.133 1.00 0.00 H new ATOM 1660 N LYS A 107 -21.564 3.744 0.968 1.00 0.00 N ATOM 1661 CA LYS A 107 -22.359 3.094 -0.038 1.00 0.00 C ATOM 1662 C LYS A 107 -23.617 3.919 -0.287 1.00 0.00 C ATOM 1663 O LYS A 107 -24.447 4.087 0.607 1.00 0.00 O ATOM 1664 CB LYS A 107 -22.701 1.663 0.425 1.00 0.00 C ATOM 1665 CG LYS A 107 -23.453 0.825 -0.590 1.00 0.00 C ATOM 1666 CD LYS A 107 -23.699 -0.587 -0.077 1.00 0.00 C ATOM 1667 CE LYS A 107 -24.488 -1.424 -1.077 1.00 0.00 C ATOM 1668 NZ LYS A 107 -23.763 -1.621 -2.364 1.00 0.00 N ATOM 0 H LYS A 107 -21.852 3.534 1.924 1.00 0.00 H new ATOM 0 HA LYS A 107 -21.806 3.021 -0.975 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -21.775 1.150 0.683 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -23.296 1.724 1.336 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -24.406 1.300 -0.821 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -22.885 0.782 -1.519 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -22.744 -1.071 0.128 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -24.242 -0.541 0.867 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -24.708 -2.396 -0.636 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -25.444 -0.940 -1.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -24.289 -2.292 -2.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -23.680 -0.710 -2.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -22.813 -1.999 -2.173 1.00 0.00 H new ATOM 1682 N HIS A 108 -23.741 4.431 -1.502 1.00 0.00 N ATOM 1683 CA HIS A 108 -24.843 5.325 -1.873 1.00 0.00 C ATOM 1684 C HIS A 108 -26.203 4.651 -1.700 1.00 0.00 C ATOM 1685 O HIS A 108 -27.126 5.236 -1.137 1.00 0.00 O ATOM 1686 CB HIS A 108 -24.663 5.798 -3.322 1.00 0.00 C ATOM 1687 CG HIS A 108 -25.674 6.810 -3.782 1.00 0.00 C ATOM 1688 ND1 HIS A 108 -26.814 6.472 -4.477 1.00 0.00 N ATOM 1689 CD2 HIS A 108 -25.700 8.157 -3.661 1.00 0.00 C ATOM 1690 CE1 HIS A 108 -27.495 7.566 -4.765 1.00 0.00 C ATOM 1691 NE2 HIS A 108 -26.843 8.599 -4.280 1.00 0.00 N ATOM 0 H HIS A 108 -23.086 4.243 -2.261 1.00 0.00 H new ATOM 0 HA HIS A 108 -24.818 6.185 -1.204 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -23.666 6.226 -3.429 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -24.711 4.931 -3.981 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -24.960 8.770 -3.169 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -28.429 7.605 -5.307 1.00 0.00 H new ATOM 0 HE2 HIS A 108 -27.139 9.573 -4.352 1.00 0.00 H new ATOM 1699 N GLU A 109 -26.312 3.418 -2.165 1.00 0.00 N ATOM 1700 CA GLU A 109 -27.569 2.686 -2.087 1.00 0.00 C ATOM 1701 C GLU A 109 -27.936 2.379 -0.635 1.00 0.00 C ATOM 1702 O GLU A 109 -29.111 2.316 -0.279 1.00 0.00 O ATOM 1703 CB GLU A 109 -27.493 1.400 -2.902 1.00 0.00 C ATOM 1704 CG GLU A 109 -28.835 0.724 -3.101 1.00 0.00 C ATOM 1705 CD GLU A 109 -29.782 1.569 -3.929 1.00 0.00 C ATOM 1706 OE1 GLU A 109 -29.304 2.351 -4.780 1.00 0.00 O ATOM 1707 OE2 GLU A 109 -31.005 1.456 -3.734 1.00 0.00 O ATOM 0 H GLU A 109 -25.548 2.902 -2.600 1.00 0.00 H new ATOM 0 HA GLU A 109 -28.352 3.317 -2.508 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -27.061 1.624 -3.877 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -26.816 0.705 -2.405 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -28.686 -0.238 -3.591 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -29.286 0.521 -2.130 1.00 0.00 H new ATOM 1714 N LEU A 110 -26.914 2.208 0.204 1.00 0.00 N ATOM 1715 CA LEU A 110 -27.121 1.896 1.614 1.00 0.00 C ATOM 1716 C LEU A 110 -27.872 3.019 2.301 1.00 0.00 C ATOM 1717 O LEU A 110 -28.755 2.775 3.119 1.00 0.00 O ATOM 1718 CB LEU A 110 -25.785 1.656 2.320 1.00 0.00 C ATOM 1719 CG LEU A 110 -25.877 1.334 3.817 1.00 0.00 C ATOM 1720 CD1 LEU A 110 -26.543 -0.016 4.037 1.00 0.00 C ATOM 1721 CD2 LEU A 110 -24.499 1.362 4.452 1.00 0.00 C ATOM 0 H LEU A 110 -25.934 2.281 -0.071 1.00 0.00 H new ATOM 0 HA LEU A 110 -27.715 0.984 1.673 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -25.273 0.834 1.820 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -25.163 2.542 2.194 1.00 0.00 H new ATOM 0 HG LEU A 110 -26.491 2.097 4.295 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -26.598 -0.225 5.105 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -27.549 0.002 3.618 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -25.959 -0.794 3.545 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -24.583 1.131 5.514 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -23.861 0.622 3.969 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -24.062 2.353 4.329 1.00 0.00 H new ATOM 1733 N ILE A 111 -27.524 4.251 1.958 1.00 0.00 N ATOM 1734 CA ILE A 111 -28.177 5.413 2.537 1.00 0.00 C ATOM 1735 C ILE A 111 -29.658 5.398 2.175 1.00 0.00 C ATOM 1736 O ILE A 111 -30.519 5.649 3.020 1.00 0.00 O ATOM 1737 CB ILE A 111 -27.531 6.728 2.039 1.00 0.00 C ATOM 1738 CG1 ILE A 111 -26.014 6.715 2.290 1.00 0.00 C ATOM 1739 CG2 ILE A 111 -28.174 7.937 2.713 1.00 0.00 C ATOM 1740 CD1 ILE A 111 -25.625 6.579 3.753 1.00 0.00 C ATOM 0 H ILE A 111 -26.793 4.470 1.281 1.00 0.00 H new ATOM 0 HA ILE A 111 -28.059 5.367 3.620 1.00 0.00 H new ATOM 0 HB ILE A 111 -27.702 6.805 0.965 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -25.572 5.891 1.730 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -25.584 7.636 1.896 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -27.704 8.850 2.348 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -29.239 7.959 2.481 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -28.039 7.866 3.792 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -24.539 6.578 3.842 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -26.035 7.416 4.318 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -26.022 5.645 4.150 1.00 0.00 H new ATOM 1752 N SER A 112 -29.940 5.089 0.919 1.00 0.00 N ATOM 1753 CA SER A 112 -31.306 4.988 0.438 1.00 0.00 C ATOM 1754 C SER A 112 -32.061 3.880 1.193 1.00 0.00 C ATOM 1755 O SER A 112 -33.222 4.049 1.565 1.00 0.00 O ATOM 1756 CB SER A 112 -31.301 4.701 -1.062 1.00 0.00 C ATOM 1757 OG SER A 112 -30.490 5.643 -1.759 1.00 0.00 O ATOM 0 H SER A 112 -29.232 4.902 0.209 1.00 0.00 H new ATOM 0 HA SER A 112 -31.817 5.933 0.619 1.00 0.00 H new ATOM 0 HB2 SER A 112 -30.929 3.692 -1.242 1.00 0.00 H new ATOM 0 HB3 SER A 112 -32.320 4.738 -1.447 1.00 0.00 H new ATOM 0 HG SER A 112 -30.501 5.438 -2.717 1.00 0.00 H new ATOM 1763 N GLU A 113 -31.389 2.752 1.421 1.00 0.00 N ATOM 1764 CA GLU A 113 -31.989 1.636 2.144 1.00 0.00 C ATOM 1765 C GLU A 113 -32.237 1.996 3.608 1.00 0.00 C ATOM 1766 O GLU A 113 -33.258 1.646 4.177 1.00 0.00 O ATOM 1767 CB GLU A 113 -31.107 0.386 2.059 1.00 0.00 C ATOM 1768 CG GLU A 113 -30.983 -0.192 0.662 1.00 0.00 C ATOM 1769 CD GLU A 113 -30.189 -1.474 0.636 1.00 0.00 C ATOM 1770 OE1 GLU A 113 -30.791 -2.547 0.850 1.00 0.00 O ATOM 1771 OE2 GLU A 113 -28.962 -1.420 0.419 1.00 0.00 O ATOM 0 H GLU A 113 -30.430 2.589 1.115 1.00 0.00 H new ATOM 0 HA GLU A 113 -32.947 1.421 1.671 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -30.111 0.631 2.429 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -31.514 -0.378 2.722 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -31.979 -0.377 0.259 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -30.506 0.540 0.010 1.00 0.00 H new ATOM 1778 N LEU A 114 -31.289 2.683 4.210 1.00 0.00 N ATOM 1779 CA LEU A 114 -31.412 3.107 5.593 1.00 0.00 C ATOM 1780 C LEU A 114 -32.534 4.129 5.778 1.00 0.00 C ATOM 1781 O LEU A 114 -33.267 4.087 6.765 1.00 0.00 O ATOM 1782 CB LEU A 114 -30.093 3.650 6.106 1.00 0.00 C ATOM 1783 CG LEU A 114 -28.965 2.622 6.212 1.00 0.00 C ATOM 1784 CD1 LEU A 114 -27.695 3.283 6.678 1.00 0.00 C ATOM 1785 CD2 LEU A 114 -29.350 1.485 7.151 1.00 0.00 C ATOM 0 H LEU A 114 -30.417 2.963 3.761 1.00 0.00 H new ATOM 0 HA LEU A 114 -31.676 2.229 6.182 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -29.769 4.456 5.447 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -30.257 4.089 7.090 1.00 0.00 H new ATOM 0 HG LEU A 114 -28.796 2.200 5.221 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -26.902 2.539 6.748 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -27.405 4.056 5.966 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -27.857 3.734 7.657 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -28.531 0.768 7.209 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -29.552 1.886 8.144 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -30.243 0.987 6.772 1.00 0.00 H new ATOM 1797 N SER A 115 -32.675 5.025 4.812 1.00 0.00 N ATOM 1798 CA SER A 115 -33.666 6.089 4.883 1.00 0.00 C ATOM 1799 C SER A 115 -35.084 5.606 4.529 1.00 0.00 C ATOM 1800 O SER A 115 -36.039 6.397 4.546 1.00 0.00 O ATOM 1801 CB SER A 115 -33.249 7.262 3.992 1.00 0.00 C ATOM 1802 OG SER A 115 -32.961 6.828 2.676 1.00 0.00 O ATOM 0 H SER A 115 -32.110 5.036 3.963 1.00 0.00 H new ATOM 0 HA SER A 115 -33.704 6.424 5.919 1.00 0.00 H new ATOM 0 HB2 SER A 115 -34.047 8.004 3.967 1.00 0.00 H new ATOM 0 HB3 SER A 115 -32.372 7.751 4.417 1.00 0.00 H new ATOM 0 HG SER A 115 -32.057 6.451 2.646 1.00 0.00 H new