USER MOD reduce.3.24.130724 H: found=0, std=0, add=976, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 975 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 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 121 CYS SG : rot 72:sc= -0.744! USER MOD Set 2.1: A 66 SER OG : rot -88:sc= 0.184 USER MOD Set 2.2: A 68 ASN : amide:sc= 0.172 X(o=0.36,f=0.036) USER MOD Set 3.1: A 60 CYS SG : rot -130:sc= -0.553 USER MOD Set 3.2: A 62 LYS NZ :NH3+ -151:sc= 0.0712 (180deg=-0.538) USER MOD Set 4.1: A 21 LYS NZ :NH3+ -170:sc= 0.163 (180deg=-0.304) USER MOD Set 4.2: A 50 GLN : amide:sc= -6.65! C(o=-6.5!,f=-4.9!) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -161:sc= 0.103 (180deg=-0.275) USER MOD Single : A 31 MET CE :methyl -177:sc= -4.28! (180deg=-4.31!) USER MOD Single : A 32 SER OG : rot 180:sc= -0.461 USER MOD Single : A 34 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.066) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.587 USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.584 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 52:sc= -0.0111 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 52 THR OG1 : rot 141:sc= 0.111 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 HIS : no HD1:sc= -0.286 X(o=-0.29,f=-0.0025) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 CYS SG : rot 180:sc= -1.45! USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 GLN : amide:sc= -2.3! K(o=-2.3!,f=-1.6) USER MOD Single : A 88 CYS SG : rot 180:sc= -0.327 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ -172:sc= -0.303 (180deg=-0.359) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 SER OG : rot -65:sc= 0.837 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 GLN : amide:sc= -3.67! C(o=-3.7!,f=-4.1!) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 GLN : amide:sc= -1.96 K(o=-2,f=-0.4) USER MOD Single : A 120 HIS : no HD1:sc= -1.86 X(o=-1.9,f=-1.8) USER MOD Single : A 123 LYS NZ :NH3+ -148:sc= -0.0469 (180deg=-0.636) USER MOD Single : A 125 ASN : amide:sc= -2.07! C(o=-2.1!,f=-4.1!) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 129 ASN : amide:sc= -0.343 K(o=-0.34,f=-1.7!) USER MOD Single : B 950 TYR OH : rot 30:sc= 1.41 USER MOD ----------------------------------------------------------------- ATOM 17 N LYS A 21 100.050 -3.777 18.405 1.00 0.00 N ATOM 18 CA LYS A 21 98.816 -4.512 18.655 1.00 0.00 C ATOM 19 C LYS A 21 97.956 -4.551 17.397 1.00 0.00 C ATOM 20 O LYS A 21 97.199 -3.619 17.119 1.00 0.00 O ATOM 21 CB LYS A 21 98.037 -3.849 19.794 1.00 0.00 C ATOM 22 CG LYS A 21 96.783 -4.669 20.111 1.00 0.00 C ATOM 23 CD LYS A 21 96.063 -4.049 21.311 1.00 0.00 C ATOM 24 CE LYS A 21 94.820 -4.875 21.651 1.00 0.00 C ATOM 25 NZ LYS A 21 93.817 -4.738 20.558 1.00 0.00 N ATOM 0 HA LYS A 21 99.070 -5.533 18.938 1.00 0.00 H new ATOM 0 HB2 LYS A 21 98.666 -3.772 20.681 1.00 0.00 H new ATOM 0 HB3 LYS A 21 97.757 -2.834 19.513 1.00 0.00 H new ATOM 0 HG2 LYS A 21 96.120 -4.690 19.246 1.00 0.00 H new ATOM 0 HG3 LYS A 21 97.055 -5.702 20.329 1.00 0.00 H new ATOM 0 HD2 LYS A 21 96.733 -4.012 22.170 1.00 0.00 H new ATOM 0 HD3 LYS A 21 95.778 -3.022 21.085 1.00 0.00 H new ATOM 0 HE2 LYS A 21 95.091 -5.923 21.781 1.00 0.00 H new ATOM 0 HE3 LYS A 21 94.393 -4.537 22.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 92.914 -5.156 20.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 93.677 -3.731 20.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 94.159 -5.232 19.709 1.00 0.00 H new ATOM 39 N TYR A 22 98.081 -5.638 16.644 1.00 0.00 N ATOM 40 CA TYR A 22 97.313 -5.804 15.414 1.00 0.00 C ATOM 41 C TYR A 22 96.612 -7.156 15.411 1.00 0.00 C ATOM 42 O TYR A 22 97.244 -8.189 15.636 1.00 0.00 O ATOM 43 CB TYR A 22 98.246 -5.719 14.208 1.00 0.00 C ATOM 44 CG TYR A 22 99.000 -4.413 14.258 1.00 0.00 C ATOM 45 CD1 TYR A 22 100.376 -4.406 14.521 1.00 0.00 C ATOM 46 CD2 TYR A 22 98.321 -3.209 14.054 1.00 0.00 C ATOM 47 CE1 TYR A 22 101.072 -3.193 14.578 1.00 0.00 C ATOM 48 CE2 TYR A 22 99.017 -1.994 14.109 1.00 0.00 C ATOM 49 CZ TYR A 22 100.392 -1.986 14.371 1.00 0.00 C ATOM 50 OH TYR A 22 101.078 -0.790 14.430 1.00 0.00 O ATOM 0 H TYR A 22 98.704 -6.415 16.862 1.00 0.00 H new ATOM 0 HA TYR A 22 96.567 -5.012 15.358 1.00 0.00 H new ATOM 0 HB2 TYR A 22 98.944 -6.556 14.213 1.00 0.00 H new ATOM 0 HB3 TYR A 22 97.673 -5.787 13.283 1.00 0.00 H new ATOM 0 HD1 TYR A 22 100.900 -5.337 14.680 1.00 0.00 H new ATOM 0 HD2 TYR A 22 97.260 -3.215 13.854 1.00 0.00 H new ATOM 0 HE1 TYR A 22 102.133 -3.188 14.781 1.00 0.00 H new ATOM 0 HE2 TYR A 22 98.492 -1.064 13.949 1.00 0.00 H new ATOM 0 HH TYR A 22 100.459 -0.049 14.263 1.00 0.00 H new ATOM 60 N LEU A 23 95.309 -7.149 15.142 1.00 0.00 N ATOM 61 CA LEU A 23 94.546 -8.389 15.101 1.00 0.00 C ATOM 62 C LEU A 23 94.219 -8.730 13.659 1.00 0.00 C ATOM 63 O LEU A 23 94.677 -9.741 13.126 1.00 0.00 O ATOM 64 CB LEU A 23 93.248 -8.231 15.899 1.00 0.00 C ATOM 65 CG LEU A 23 93.267 -9.138 17.132 1.00 0.00 C ATOM 66 CD1 LEU A 23 93.325 -10.606 16.699 1.00 0.00 C ATOM 67 CD2 LEU A 23 94.488 -8.814 17.998 1.00 0.00 C ATOM 0 H LEU A 23 94.766 -6.307 14.951 1.00 0.00 H new ATOM 0 HA LEU A 23 95.138 -9.191 15.542 1.00 0.00 H new ATOM 0 HB2 LEU A 23 93.126 -7.192 16.206 1.00 0.00 H new ATOM 0 HB3 LEU A 23 92.394 -8.480 15.269 1.00 0.00 H new ATOM 0 HG LEU A 23 92.358 -8.967 17.709 1.00 0.00 H new ATOM 0 HD11 LEU A 23 93.338 -11.245 17.582 1.00 0.00 H new ATOM 0 HD12 LEU A 23 92.450 -10.842 16.093 1.00 0.00 H new ATOM 0 HD13 LEU A 23 94.228 -10.777 16.113 1.00 0.00 H new ATOM 0 HD21 LEU A 23 94.495 -9.463 18.874 1.00 0.00 H new ATOM 0 HD22 LEU A 23 95.398 -8.975 17.419 1.00 0.00 H new ATOM 0 HD23 LEU A 23 94.441 -7.773 18.318 1.00 0.00 H new ATOM 79 N VAL A 24 93.439 -7.860 13.033 1.00 0.00 N ATOM 80 CA VAL A 24 93.061 -8.042 11.639 1.00 0.00 C ATOM 81 C VAL A 24 93.460 -6.820 10.830 1.00 0.00 C ATOM 82 O VAL A 24 93.076 -5.694 11.148 1.00 0.00 O ATOM 83 CB VAL A 24 91.558 -8.269 11.524 1.00 0.00 C ATOM 84 CG1 VAL A 24 91.167 -8.394 10.049 1.00 0.00 C ATOM 85 CG2 VAL A 24 91.179 -9.552 12.266 1.00 0.00 C ATOM 0 H VAL A 24 93.056 -7.021 13.469 1.00 0.00 H new ATOM 0 HA VAL A 24 93.580 -8.917 11.247 1.00 0.00 H new ATOM 0 HB VAL A 24 91.029 -7.424 11.965 1.00 0.00 H new ATOM 0 HG11 VAL A 24 90.092 -8.556 9.970 1.00 0.00 H new ATOM 0 HG12 VAL A 24 91.435 -7.478 9.523 1.00 0.00 H new ATOM 0 HG13 VAL A 24 91.695 -9.237 9.603 1.00 0.00 H new ATOM 0 HG21 VAL A 24 90.104 -9.715 12.185 1.00 0.00 H new ATOM 0 HG22 VAL A 24 91.709 -10.397 11.826 1.00 0.00 H new ATOM 0 HG23 VAL A 24 91.453 -9.459 13.317 1.00 0.00 H new ATOM 95 N GLU A 25 94.233 -7.050 9.784 1.00 0.00 N ATOM 96 CA GLU A 25 94.686 -5.958 8.934 1.00 0.00 C ATOM 97 C GLU A 25 94.930 -6.456 7.510 1.00 0.00 C ATOM 98 O GLU A 25 95.623 -7.451 7.296 1.00 0.00 O ATOM 99 CB GLU A 25 95.973 -5.352 9.518 1.00 0.00 C ATOM 100 CG GLU A 25 97.129 -6.347 9.386 1.00 0.00 C ATOM 101 CD GLU A 25 98.332 -5.854 10.182 1.00 0.00 C ATOM 102 OE1 GLU A 25 98.213 -4.821 10.821 1.00 0.00 O ATOM 103 OE2 GLU A 25 99.357 -6.515 10.141 1.00 0.00 O ATOM 0 H GLU A 25 94.559 -7.974 9.502 1.00 0.00 H new ATOM 0 HA GLU A 25 93.914 -5.190 8.898 1.00 0.00 H new ATOM 0 HB2 GLU A 25 96.218 -4.427 8.997 1.00 0.00 H new ATOM 0 HB3 GLU A 25 95.821 -5.096 10.567 1.00 0.00 H new ATOM 0 HG2 GLU A 25 96.819 -7.327 9.748 1.00 0.00 H new ATOM 0 HG3 GLU A 25 97.400 -6.466 8.337 1.00 0.00 H new ATOM 110 N PHE A 26 94.350 -5.760 6.538 1.00 0.00 N ATOM 111 CA PHE A 26 94.515 -6.135 5.139 1.00 0.00 C ATOM 112 C PHE A 26 94.418 -4.914 4.229 1.00 0.00 C ATOM 113 O PHE A 26 93.637 -3.998 4.483 1.00 0.00 O ATOM 114 CB PHE A 26 93.462 -7.170 4.736 1.00 0.00 C ATOM 115 CG PHE A 26 93.743 -8.479 5.438 1.00 0.00 C ATOM 116 CD1 PHE A 26 93.004 -8.847 6.569 1.00 0.00 C ATOM 117 CD2 PHE A 26 94.746 -9.327 4.952 1.00 0.00 C ATOM 118 CE1 PHE A 26 93.269 -10.062 7.214 1.00 0.00 C ATOM 119 CE2 PHE A 26 95.011 -10.542 5.597 1.00 0.00 C ATOM 120 CZ PHE A 26 94.273 -10.908 6.727 1.00 0.00 C ATOM 0 H PHE A 26 93.765 -4.939 6.692 1.00 0.00 H new ATOM 0 HA PHE A 26 95.507 -6.572 5.024 1.00 0.00 H new ATOM 0 HB2 PHE A 26 92.466 -6.812 4.998 1.00 0.00 H new ATOM 0 HB3 PHE A 26 93.475 -7.315 3.656 1.00 0.00 H new ATOM 0 HD1 PHE A 26 92.230 -8.194 6.944 1.00 0.00 H new ATOM 0 HD2 PHE A 26 95.316 -9.044 4.079 1.00 0.00 H new ATOM 0 HE1 PHE A 26 92.699 -10.346 8.086 1.00 0.00 H new ATOM 0 HE2 PHE A 26 95.785 -11.196 5.222 1.00 0.00 H new ATOM 0 HZ PHE A 26 94.478 -11.844 7.225 1.00 0.00 H new ATOM 130 N ARG A 27 95.205 -4.916 3.158 1.00 0.00 N ATOM 131 CA ARG A 27 95.187 -3.809 2.209 1.00 0.00 C ATOM 132 C ARG A 27 93.916 -3.857 1.368 1.00 0.00 C ATOM 133 O ARG A 27 93.386 -4.934 1.089 1.00 0.00 O ATOM 134 CB ARG A 27 96.413 -3.882 1.299 1.00 0.00 C ATOM 135 CG ARG A 27 97.668 -3.544 2.107 1.00 0.00 C ATOM 136 CD ARG A 27 98.913 -3.853 1.274 1.00 0.00 C ATOM 137 NE ARG A 27 100.113 -3.426 1.983 1.00 0.00 N ATOM 138 CZ ARG A 27 100.641 -4.167 2.952 1.00 0.00 C ATOM 139 NH1 ARG A 27 101.719 -3.766 3.568 1.00 0.00 N ATOM 140 NH2 ARG A 27 100.077 -5.295 3.292 1.00 0.00 N ATOM 0 H ARG A 27 95.858 -5.665 2.927 1.00 0.00 H new ATOM 0 HA ARG A 27 95.208 -2.871 2.764 1.00 0.00 H new ATOM 0 HB2 ARG A 27 96.502 -4.880 0.870 1.00 0.00 H new ATOM 0 HB3 ARG A 27 96.304 -3.186 0.468 1.00 0.00 H new ATOM 0 HG2 ARG A 27 97.659 -2.491 2.389 1.00 0.00 H new ATOM 0 HG3 ARG A 27 97.684 -4.121 3.031 1.00 0.00 H new ATOM 0 HD2 ARG A 27 98.965 -4.922 1.068 1.00 0.00 H new ATOM 0 HD3 ARG A 27 98.851 -3.345 0.312 1.00 0.00 H new ATOM 0 HE ARG A 27 100.556 -2.542 1.731 1.00 0.00 H new ATOM 0 HH11 ARG A 27 102.157 -2.883 3.306 1.00 0.00 H new ATOM 0 HH12 ARG A 27 102.123 -4.335 4.311 1.00 0.00 H new ATOM 0 HH21 ARG A 27 99.232 -5.607 2.814 1.00 0.00 H new ATOM 0 HH22 ARG A 27 100.482 -5.864 4.036 1.00 0.00 H new ATOM 154 N ALA A 28 93.429 -2.688 0.967 1.00 0.00 N ATOM 155 CA ALA A 28 92.223 -2.615 0.160 1.00 0.00 C ATOM 156 C ALA A 28 92.249 -1.378 -0.723 1.00 0.00 C ATOM 157 O ALA A 28 92.828 -0.352 -0.361 1.00 0.00 O ATOM 158 CB ALA A 28 90.991 -2.571 1.064 1.00 0.00 C ATOM 0 H ALA A 28 93.849 -1.785 1.187 1.00 0.00 H new ATOM 0 HA ALA A 28 92.177 -3.501 -0.473 1.00 0.00 H new ATOM 0 HB1 ALA A 28 90.092 -2.516 0.451 1.00 0.00 H new ATOM 0 HB2 ALA A 28 90.958 -3.471 1.678 1.00 0.00 H new ATOM 0 HB3 ALA A 28 91.044 -1.694 1.709 1.00 0.00 H new ATOM 164 N GLY A 29 91.613 -1.484 -1.878 1.00 0.00 N ATOM 165 CA GLY A 29 91.556 -0.370 -2.816 1.00 0.00 C ATOM 166 C GLY A 29 90.183 0.295 -2.782 1.00 0.00 C ATOM 167 O GLY A 29 89.154 -0.369 -2.909 1.00 0.00 O ATOM 0 H GLY A 29 91.130 -2.326 -2.190 1.00 0.00 H new ATOM 0 HA2 GLY A 29 92.326 0.361 -2.567 1.00 0.00 H new ATOM 0 HA3 GLY A 29 91.768 -0.726 -3.824 1.00 0.00 H new ATOM 171 N LYS A 30 90.182 1.610 -2.612 1.00 0.00 N ATOM 172 CA LYS A 30 88.938 2.369 -2.562 1.00 0.00 C ATOM 173 C LYS A 30 88.501 2.772 -3.970 1.00 0.00 C ATOM 174 O LYS A 30 89.319 2.838 -4.885 1.00 0.00 O ATOM 175 CB LYS A 30 89.128 3.616 -1.689 1.00 0.00 C ATOM 176 CG LYS A 30 87.801 4.368 -1.569 1.00 0.00 C ATOM 177 CD LYS A 30 87.945 5.527 -0.579 1.00 0.00 C ATOM 178 CE LYS A 30 86.636 6.316 -0.530 1.00 0.00 C ATOM 179 NZ LYS A 30 86.456 7.053 -1.812 1.00 0.00 N ATOM 0 H LYS A 30 91.026 2.173 -2.507 1.00 0.00 H new ATOM 0 HA LYS A 30 88.159 1.743 -2.127 1.00 0.00 H new ATOM 0 HB2 LYS A 30 89.485 3.329 -0.700 1.00 0.00 H new ATOM 0 HB3 LYS A 30 89.887 4.265 -2.126 1.00 0.00 H new ATOM 0 HG2 LYS A 30 87.499 4.748 -2.545 1.00 0.00 H new ATOM 0 HG3 LYS A 30 87.017 3.688 -1.235 1.00 0.00 H new ATOM 0 HD2 LYS A 30 88.190 5.145 0.412 1.00 0.00 H new ATOM 0 HD3 LYS A 30 88.765 6.179 -0.881 1.00 0.00 H new ATOM 0 HE2 LYS A 30 85.797 5.640 -0.365 1.00 0.00 H new ATOM 0 HE3 LYS A 30 86.651 7.016 0.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 85.768 7.821 -1.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 87.367 7.453 -2.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 86.107 6.400 -2.542 1.00 0.00 H new ATOM 193 N MET A 31 87.207 3.025 -4.137 1.00 0.00 N ATOM 194 CA MET A 31 86.672 3.421 -5.438 1.00 0.00 C ATOM 195 C MET A 31 86.264 4.893 -5.424 1.00 0.00 C ATOM 196 O MET A 31 85.678 5.372 -4.454 1.00 0.00 O ATOM 197 CB MET A 31 85.451 2.564 -5.785 1.00 0.00 C ATOM 198 CG MET A 31 85.777 1.640 -6.963 1.00 0.00 C ATOM 199 SD MET A 31 84.269 0.789 -7.489 1.00 0.00 S ATOM 200 CE MET A 31 84.366 1.239 -9.238 1.00 0.00 C ATOM 0 H MET A 31 86.512 2.964 -3.393 1.00 0.00 H new ATOM 0 HA MET A 31 87.450 3.273 -6.187 1.00 0.00 H new ATOM 0 HB2 MET A 31 85.154 1.972 -4.919 1.00 0.00 H new ATOM 0 HB3 MET A 31 84.606 3.205 -6.038 1.00 0.00 H new ATOM 0 HG2 MET A 31 86.190 2.218 -7.790 1.00 0.00 H new ATOM 0 HG3 MET A 31 86.536 0.914 -6.672 1.00 0.00 H new ATOM 0 HE1 MET A 31 83.489 0.857 -9.761 1.00 0.00 H new ATOM 0 HE2 MET A 31 84.402 2.324 -9.333 1.00 0.00 H new ATOM 0 HE3 MET A 31 85.266 0.807 -9.676 1.00 0.00 H new ATOM 210 N SER A 32 86.569 5.605 -6.507 1.00 0.00 N ATOM 211 CA SER A 32 86.221 7.013 -6.604 1.00 0.00 C ATOM 212 C SER A 32 84.736 7.148 -6.942 1.00 0.00 C ATOM 213 O SER A 32 84.318 6.782 -8.039 1.00 0.00 O ATOM 214 CB SER A 32 87.054 7.669 -7.709 1.00 0.00 C ATOM 215 OG SER A 32 86.741 9.054 -7.777 1.00 0.00 O ATOM 0 H SER A 32 87.053 5.229 -7.322 1.00 0.00 H new ATOM 0 HA SER A 32 86.425 7.504 -5.652 1.00 0.00 H new ATOM 0 HB2 SER A 32 88.117 7.535 -7.507 1.00 0.00 H new ATOM 0 HB3 SER A 32 86.849 7.191 -8.667 1.00 0.00 H new ATOM 0 HG SER A 32 87.274 9.476 -8.483 1.00 0.00 H new ATOM 221 N LEU A 33 83.947 7.665 -5.998 1.00 0.00 N ATOM 222 CA LEU A 33 82.510 7.834 -6.221 1.00 0.00 C ATOM 223 C LEU A 33 82.132 9.306 -6.155 1.00 0.00 C ATOM 224 O LEU A 33 82.355 9.973 -5.145 1.00 0.00 O ATOM 225 CB LEU A 33 81.710 7.050 -5.169 1.00 0.00 C ATOM 226 CG LEU A 33 80.197 7.257 -5.376 1.00 0.00 C ATOM 227 CD1 LEU A 33 79.786 6.757 -6.763 1.00 0.00 C ATOM 228 CD2 LEU A 33 79.431 6.466 -4.314 1.00 0.00 C ATOM 0 H LEU A 33 84.274 7.971 -5.082 1.00 0.00 H new ATOM 0 HA LEU A 33 82.271 7.449 -7.212 1.00 0.00 H new ATOM 0 HB2 LEU A 33 81.950 5.989 -5.237 1.00 0.00 H new ATOM 0 HB3 LEU A 33 81.994 7.378 -4.169 1.00 0.00 H new ATOM 0 HG LEU A 33 79.966 8.319 -5.292 1.00 0.00 H new ATOM 0 HD11 LEU A 33 78.715 6.907 -6.901 1.00 0.00 H new ATOM 0 HD12 LEU A 33 80.332 7.312 -7.526 1.00 0.00 H new ATOM 0 HD13 LEU A 33 80.018 5.696 -6.851 1.00 0.00 H new ATOM 0 HD21 LEU A 33 78.360 6.609 -4.456 1.00 0.00 H new ATOM 0 HD22 LEU A 33 79.671 5.407 -4.406 1.00 0.00 H new ATOM 0 HD23 LEU A 33 79.716 6.818 -3.322 1.00 0.00 H new ATOM 240 N LYS A 34 81.546 9.802 -7.235 1.00 0.00 N ATOM 241 CA LYS A 34 81.126 11.192 -7.290 1.00 0.00 C ATOM 242 C LYS A 34 79.758 11.294 -7.949 1.00 0.00 C ATOM 243 O LYS A 34 79.514 10.674 -8.989 1.00 0.00 O ATOM 244 CB LYS A 34 82.146 12.016 -8.077 1.00 0.00 C ATOM 245 CG LYS A 34 82.692 11.196 -9.251 1.00 0.00 C ATOM 246 CD LYS A 34 84.021 10.547 -8.852 1.00 0.00 C ATOM 247 CE LYS A 34 84.515 9.652 -9.989 1.00 0.00 C ATOM 248 NZ LYS A 34 85.019 10.499 -11.107 1.00 0.00 N ATOM 0 H LYS A 34 81.352 9.265 -8.080 1.00 0.00 H new ATOM 0 HA LYS A 34 81.062 11.583 -6.275 1.00 0.00 H new ATOM 0 HB2 LYS A 34 81.680 12.929 -8.447 1.00 0.00 H new ATOM 0 HB3 LYS A 34 82.964 12.318 -7.423 1.00 0.00 H new ATOM 0 HG2 LYS A 34 81.973 10.429 -9.537 1.00 0.00 H new ATOM 0 HG3 LYS A 34 82.836 11.838 -10.120 1.00 0.00 H new ATOM 0 HD2 LYS A 34 84.762 11.316 -8.633 1.00 0.00 H new ATOM 0 HD3 LYS A 34 83.892 9.960 -7.943 1.00 0.00 H new ATOM 0 HE2 LYS A 34 85.308 8.995 -9.631 1.00 0.00 H new ATOM 0 HE3 LYS A 34 83.705 9.012 -10.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 85.492 9.898 -11.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 84.221 10.994 -11.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 85.696 11.197 -10.736 1.00 0.00 H new ATOM 262 N GLY A 35 78.862 12.066 -7.336 1.00 0.00 N ATOM 263 CA GLY A 35 77.524 12.222 -7.885 1.00 0.00 C ATOM 264 C GLY A 35 77.001 10.868 -8.331 1.00 0.00 C ATOM 265 O GLY A 35 76.697 10.006 -7.505 1.00 0.00 O ATOM 0 H GLY A 35 79.037 12.583 -6.474 1.00 0.00 H new ATOM 0 HA2 GLY A 35 76.859 12.652 -7.136 1.00 0.00 H new ATOM 0 HA3 GLY A 35 77.543 12.913 -8.728 1.00 0.00 H new ATOM 269 N THR A 36 76.927 10.685 -9.645 1.00 0.00 N ATOM 270 CA THR A 36 76.470 9.425 -10.214 1.00 0.00 C ATOM 271 C THR A 36 77.527 8.856 -11.148 1.00 0.00 C ATOM 272 O THR A 36 77.322 8.760 -12.358 1.00 0.00 O ATOM 273 CB THR A 36 75.174 9.627 -10.984 1.00 0.00 C ATOM 274 OG1 THR A 36 75.244 10.843 -11.720 1.00 0.00 O ATOM 275 CG2 THR A 36 74.004 9.673 -10.005 1.00 0.00 C ATOM 0 H THR A 36 77.178 11.394 -10.335 1.00 0.00 H new ATOM 0 HA THR A 36 76.294 8.726 -9.396 1.00 0.00 H new ATOM 0 HB THR A 36 75.026 8.800 -11.678 1.00 0.00 H new ATOM 0 HG1 THR A 36 74.410 10.973 -12.218 1.00 0.00 H new ATOM 0 HG21 THR A 36 73.074 9.818 -10.555 1.00 0.00 H new ATOM 0 HG22 THR A 36 73.956 8.735 -9.451 1.00 0.00 H new ATOM 0 HG23 THR A 36 74.145 10.499 -9.308 1.00 0.00 H new ATOM 283 N THR A 37 78.651 8.479 -10.567 1.00 0.00 N ATOM 284 CA THR A 37 79.751 7.911 -11.330 1.00 0.00 C ATOM 285 C THR A 37 80.738 7.254 -10.378 1.00 0.00 C ATOM 286 O THR A 37 81.147 7.855 -9.384 1.00 0.00 O ATOM 287 CB THR A 37 80.454 8.999 -12.146 1.00 0.00 C ATOM 288 OG1 THR A 37 79.766 10.231 -11.983 1.00 0.00 O ATOM 289 CG2 THR A 37 80.451 8.601 -13.625 1.00 0.00 C ATOM 0 H THR A 37 78.828 8.556 -9.565 1.00 0.00 H new ATOM 0 HA THR A 37 79.358 7.164 -12.020 1.00 0.00 H new ATOM 0 HB THR A 37 81.482 9.111 -11.800 1.00 0.00 H new ATOM 0 HG1 THR A 37 80.216 10.928 -12.504 1.00 0.00 H new ATOM 0 HG21 THR A 37 80.951 9.373 -14.210 1.00 0.00 H new ATOM 0 HG22 THR A 37 80.977 7.654 -13.748 1.00 0.00 H new ATOM 0 HG23 THR A 37 79.423 8.492 -13.970 1.00 0.00 H new ATOM 297 N VAL A 38 81.098 6.014 -10.677 1.00 0.00 N ATOM 298 CA VAL A 38 82.017 5.267 -9.832 1.00 0.00 C ATOM 299 C VAL A 38 83.184 4.721 -10.649 1.00 0.00 C ATOM 300 O VAL A 38 83.012 4.362 -11.794 1.00 0.00 O ATOM 301 CB VAL A 38 81.251 4.107 -9.183 1.00 0.00 C ATOM 302 CG1 VAL A 38 80.925 3.026 -10.198 1.00 0.00 C ATOM 303 CG2 VAL A 38 82.081 3.491 -8.071 1.00 0.00 C ATOM 0 H VAL A 38 80.768 5.505 -11.497 1.00 0.00 H new ATOM 0 HA VAL A 38 82.421 5.930 -9.067 1.00 0.00 H new ATOM 0 HB VAL A 38 80.322 4.511 -8.782 1.00 0.00 H new ATOM 0 HG11 VAL A 38 80.382 2.218 -9.707 1.00 0.00 H new ATOM 0 HG12 VAL A 38 80.309 3.447 -10.993 1.00 0.00 H new ATOM 0 HG13 VAL A 38 81.849 2.636 -10.624 1.00 0.00 H new ATOM 0 HG21 VAL A 38 81.528 2.669 -7.617 1.00 0.00 H new ATOM 0 HG22 VAL A 38 83.018 3.115 -8.482 1.00 0.00 H new ATOM 0 HG23 VAL A 38 82.294 4.246 -7.315 1.00 0.00 H new ATOM 313 N THR A 39 84.372 4.671 -10.057 1.00 0.00 N ATOM 314 CA THR A 39 85.549 4.150 -10.745 1.00 0.00 C ATOM 315 C THR A 39 86.660 3.844 -9.754 1.00 0.00 C ATOM 316 O THR A 39 86.663 4.366 -8.646 1.00 0.00 O ATOM 317 CB THR A 39 86.067 5.133 -11.772 1.00 0.00 C ATOM 318 OG1 THR A 39 87.476 5.261 -11.637 1.00 0.00 O ATOM 319 CG2 THR A 39 85.407 6.507 -11.624 1.00 0.00 C ATOM 0 H THR A 39 84.546 4.985 -9.102 1.00 0.00 H new ATOM 0 HA THR A 39 85.245 3.234 -11.251 1.00 0.00 H new ATOM 0 HB THR A 39 85.819 4.749 -12.762 1.00 0.00 H new ATOM 0 HG1 THR A 39 87.812 5.897 -12.303 1.00 0.00 H new ATOM 0 HG21 THR A 39 85.805 7.185 -12.379 1.00 0.00 H new ATOM 0 HG22 THR A 39 84.329 6.409 -11.756 1.00 0.00 H new ATOM 0 HG23 THR A 39 85.616 6.906 -10.631 1.00 0.00 H new ATOM 327 N PRO A 40 87.619 3.039 -10.130 1.00 0.00 N ATOM 328 CA PRO A 40 88.761 2.708 -9.237 1.00 0.00 C ATOM 329 C PRO A 40 89.504 3.973 -8.817 1.00 0.00 C ATOM 330 O PRO A 40 89.921 4.764 -9.662 1.00 0.00 O ATOM 331 CB PRO A 40 89.666 1.811 -10.099 1.00 0.00 C ATOM 332 CG PRO A 40 89.202 2.006 -11.504 1.00 0.00 C ATOM 333 CD PRO A 40 87.721 2.349 -11.416 1.00 0.00 C ATOM 0 HA PRO A 40 88.441 2.221 -8.316 1.00 0.00 H new ATOM 0 HB2 PRO A 40 90.714 2.091 -9.990 1.00 0.00 H new ATOM 0 HB3 PRO A 40 89.582 0.766 -9.800 1.00 0.00 H new ATOM 0 HG2 PRO A 40 89.759 2.806 -11.991 1.00 0.00 H new ATOM 0 HG3 PRO A 40 89.359 1.104 -12.095 1.00 0.00 H new ATOM 0 HD2 PRO A 40 87.404 2.986 -12.242 1.00 0.00 H new ATOM 0 HD3 PRO A 40 87.097 1.456 -11.445 1.00 0.00 H new ATOM 341 N ASP A 41 89.662 4.166 -7.512 1.00 0.00 N ATOM 342 CA ASP A 41 90.349 5.348 -7.015 1.00 0.00 C ATOM 343 C ASP A 41 91.857 5.133 -7.019 1.00 0.00 C ATOM 344 O ASP A 41 92.350 4.069 -6.640 1.00 0.00 O ATOM 345 CB ASP A 41 89.891 5.669 -5.596 1.00 0.00 C ATOM 346 CG ASP A 41 90.998 5.318 -4.612 1.00 0.00 C ATOM 347 OD1 ASP A 41 91.136 4.151 -4.288 1.00 0.00 O ATOM 348 OD2 ASP A 41 91.700 6.226 -4.208 1.00 0.00 O ATOM 0 H ASP A 41 89.328 3.528 -6.790 1.00 0.00 H new ATOM 0 HA ASP A 41 90.105 6.182 -7.673 1.00 0.00 H new ATOM 0 HB2 ASP A 41 89.640 6.726 -5.514 1.00 0.00 H new ATOM 0 HB3 ASP A 41 88.988 5.107 -5.359 1.00 0.00 H new ATOM 353 N LYS A 42 92.583 6.154 -7.449 1.00 0.00 N ATOM 354 CA LYS A 42 94.037 6.082 -7.503 1.00 0.00 C ATOM 355 C LYS A 42 94.657 6.089 -6.107 1.00 0.00 C ATOM 356 O LYS A 42 95.798 5.660 -5.929 1.00 0.00 O ATOM 357 CB LYS A 42 94.585 7.251 -8.325 1.00 0.00 C ATOM 358 CG LYS A 42 94.093 8.580 -7.743 1.00 0.00 C ATOM 359 CD LYS A 42 95.223 9.609 -7.794 1.00 0.00 C ATOM 360 CE LYS A 42 96.262 9.291 -6.714 1.00 0.00 C ATOM 361 NZ LYS A 42 97.620 9.273 -7.324 1.00 0.00 N ATOM 0 H LYS A 42 92.191 7.041 -7.765 1.00 0.00 H new ATOM 0 HA LYS A 42 94.307 5.140 -7.980 1.00 0.00 H new ATOM 0 HB2 LYS A 42 95.675 7.226 -8.325 1.00 0.00 H new ATOM 0 HB3 LYS A 42 94.264 7.158 -9.363 1.00 0.00 H new ATOM 0 HG2 LYS A 42 93.233 8.940 -8.308 1.00 0.00 H new ATOM 0 HG3 LYS A 42 93.762 8.438 -6.714 1.00 0.00 H new ATOM 0 HD2 LYS A 42 95.692 9.599 -8.778 1.00 0.00 H new ATOM 0 HD3 LYS A 42 94.822 10.611 -7.642 1.00 0.00 H new ATOM 0 HE2 LYS A 42 96.218 10.037 -5.920 1.00 0.00 H new ATOM 0 HE3 LYS A 42 96.044 8.326 -6.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 98.327 9.057 -6.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 97.657 8.546 -8.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 97.826 10.204 -7.740 1.00 0.00 H new ATOM 375 N ARG A 43 93.913 6.579 -5.120 1.00 0.00 N ATOM 376 CA ARG A 43 94.432 6.631 -3.756 1.00 0.00 C ATOM 377 C ARG A 43 94.043 5.368 -2.992 1.00 0.00 C ATOM 378 O ARG A 43 92.929 5.249 -2.483 1.00 0.00 O ATOM 379 CB ARG A 43 93.880 7.870 -3.046 1.00 0.00 C ATOM 380 CG ARG A 43 94.601 8.081 -1.715 1.00 0.00 C ATOM 381 CD ARG A 43 94.057 9.349 -1.055 1.00 0.00 C ATOM 382 NE ARG A 43 92.682 9.129 -0.612 1.00 0.00 N ATOM 383 CZ ARG A 43 91.636 9.570 -1.311 1.00 0.00 C ATOM 384 NH1 ARG A 43 90.429 9.395 -0.846 1.00 0.00 N ATOM 385 NH2 ARG A 43 91.805 10.151 -2.469 1.00 0.00 N ATOM 0 H ARG A 43 92.966 6.940 -5.234 1.00 0.00 H new ATOM 0 HA ARG A 43 95.520 6.691 -3.790 1.00 0.00 H new ATOM 0 HB2 ARG A 43 94.007 8.748 -3.680 1.00 0.00 H new ATOM 0 HB3 ARG A 43 92.810 7.753 -2.874 1.00 0.00 H new ATOM 0 HG2 ARG A 43 94.449 7.221 -1.063 1.00 0.00 H new ATOM 0 HG3 ARG A 43 95.675 8.171 -1.878 1.00 0.00 H new ATOM 0 HD2 ARG A 43 94.682 9.624 -0.206 1.00 0.00 H new ATOM 0 HD3 ARG A 43 94.093 10.180 -1.759 1.00 0.00 H new ATOM 0 HE ARG A 43 92.518 8.623 0.258 1.00 0.00 H new ATOM 0 HH11 ARG A 43 90.290 8.923 0.048 1.00 0.00 H new ATOM 0 HH12 ARG A 43 89.625 9.730 -1.376 1.00 0.00 H new ATOM 0 HH21 ARG A 43 92.745 10.271 -2.847 1.00 0.00 H new ATOM 0 HH22 ARG A 43 90.997 10.484 -2.995 1.00 0.00 H new ATOM 399 N LYS A 44 94.975 4.425 -2.918 1.00 0.00 N ATOM 400 CA LYS A 44 94.726 3.169 -2.224 1.00 0.00 C ATOM 401 C LYS A 44 94.752 3.389 -0.717 1.00 0.00 C ATOM 402 O LYS A 44 95.403 4.313 -0.226 1.00 0.00 O ATOM 403 CB LYS A 44 95.795 2.141 -2.605 1.00 0.00 C ATOM 404 CG LYS A 44 95.953 2.057 -4.133 1.00 0.00 C ATOM 405 CD LYS A 44 94.641 1.620 -4.795 1.00 0.00 C ATOM 406 CE LYS A 44 94.895 1.345 -6.280 1.00 0.00 C ATOM 407 NZ LYS A 44 93.618 0.950 -6.940 1.00 0.00 N ATOM 0 H LYS A 44 95.905 4.506 -3.328 1.00 0.00 H new ATOM 0 HA LYS A 44 93.744 2.797 -2.517 1.00 0.00 H new ATOM 0 HB2 LYS A 44 96.747 2.415 -2.151 1.00 0.00 H new ATOM 0 HB3 LYS A 44 95.523 1.163 -2.209 1.00 0.00 H new ATOM 0 HG2 LYS A 44 96.257 3.027 -4.525 1.00 0.00 H new ATOM 0 HG3 LYS A 44 96.744 1.350 -4.383 1.00 0.00 H new ATOM 0 HD2 LYS A 44 94.254 0.725 -4.308 1.00 0.00 H new ATOM 0 HD3 LYS A 44 93.885 2.397 -4.681 1.00 0.00 H new ATOM 0 HE2 LYS A 44 95.305 2.234 -6.760 1.00 0.00 H new ATOM 0 HE3 LYS A 44 95.635 0.552 -6.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 93.792 0.763 -7.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 93.245 0.091 -6.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 92.925 1.720 -6.845 1.00 0.00 H new ATOM 421 N GLY A 45 94.036 2.541 0.016 1.00 0.00 N ATOM 422 CA GLY A 45 93.987 2.662 1.467 1.00 0.00 C ATOM 423 C GLY A 45 94.297 1.338 2.142 1.00 0.00 C ATOM 424 O GLY A 45 94.532 0.327 1.479 1.00 0.00 O ATOM 0 H GLY A 45 93.488 1.771 -0.367 1.00 0.00 H new ATOM 0 HA2 GLY A 45 94.702 3.416 1.795 1.00 0.00 H new ATOM 0 HA3 GLY A 45 92.999 3.006 1.772 1.00 0.00 H new ATOM 428 N LEU A 46 94.294 1.359 3.470 1.00 0.00 N ATOM 429 CA LEU A 46 94.579 0.155 4.246 1.00 0.00 C ATOM 430 C LEU A 46 93.501 -0.075 5.300 1.00 0.00 C ATOM 431 O LEU A 46 93.158 0.831 6.061 1.00 0.00 O ATOM 432 CB LEU A 46 95.949 0.269 4.918 1.00 0.00 C ATOM 433 CG LEU A 46 96.188 -0.949 5.818 1.00 0.00 C ATOM 434 CD1 LEU A 46 97.615 -1.462 5.614 1.00 0.00 C ATOM 435 CD2 LEU A 46 96.001 -0.545 7.282 1.00 0.00 C ATOM 0 H LEU A 46 94.099 2.189 4.030 1.00 0.00 H new ATOM 0 HA LEU A 46 94.587 -0.696 3.565 1.00 0.00 H new ATOM 0 HB2 LEU A 46 96.731 0.333 4.162 1.00 0.00 H new ATOM 0 HB3 LEU A 46 96.000 1.184 5.508 1.00 0.00 H new ATOM 0 HG LEU A 46 95.477 -1.734 5.561 1.00 0.00 H new ATOM 0 HD11 LEU A 46 97.785 -2.328 6.254 1.00 0.00 H new ATOM 0 HD12 LEU A 46 97.753 -1.748 4.571 1.00 0.00 H new ATOM 0 HD13 LEU A 46 98.325 -0.676 5.871 1.00 0.00 H new ATOM 0 HD21 LEU A 46 96.171 -1.410 7.923 1.00 0.00 H new ATOM 0 HD22 LEU A 46 96.713 0.240 7.537 1.00 0.00 H new ATOM 0 HD23 LEU A 46 94.986 -0.177 7.431 1.00 0.00 H new ATOM 447 N VAL A 47 92.972 -1.293 5.341 1.00 0.00 N ATOM 448 CA VAL A 47 91.934 -1.633 6.305 1.00 0.00 C ATOM 449 C VAL A 47 92.546 -2.237 7.560 1.00 0.00 C ATOM 450 O VAL A 47 93.241 -3.251 7.499 1.00 0.00 O ATOM 451 CB VAL A 47 90.956 -2.632 5.686 1.00 0.00 C ATOM 452 CG1 VAL A 47 89.923 -3.046 6.733 1.00 0.00 C ATOM 453 CG2 VAL A 47 90.243 -1.980 4.499 1.00 0.00 C ATOM 0 H VAL A 47 93.243 -2.057 4.722 1.00 0.00 H new ATOM 0 HA VAL A 47 91.403 -0.720 6.575 1.00 0.00 H new ATOM 0 HB VAL A 47 91.502 -3.511 5.344 1.00 0.00 H new ATOM 0 HG11 VAL A 47 89.225 -3.758 6.293 1.00 0.00 H new ATOM 0 HG12 VAL A 47 90.429 -3.509 7.580 1.00 0.00 H new ATOM 0 HG13 VAL A 47 89.377 -2.166 7.074 1.00 0.00 H new ATOM 0 HG21 VAL A 47 89.546 -2.692 4.058 1.00 0.00 H new ATOM 0 HG22 VAL A 47 89.696 -1.101 4.841 1.00 0.00 H new ATOM 0 HG23 VAL A 47 90.979 -1.682 3.752 1.00 0.00 H new ATOM 463 N TYR A 48 92.270 -1.610 8.701 1.00 0.00 N ATOM 464 CA TYR A 48 92.785 -2.091 9.976 1.00 0.00 C ATOM 465 C TYR A 48 91.657 -2.241 10.987 1.00 0.00 C ATOM 466 O TYR A 48 90.905 -1.300 11.246 1.00 0.00 O ATOM 467 CB TYR A 48 93.856 -1.134 10.514 1.00 0.00 C ATOM 468 CG TYR A 48 94.128 -1.431 11.973 1.00 0.00 C ATOM 469 CD1 TYR A 48 94.440 -2.734 12.384 1.00 0.00 C ATOM 470 CD2 TYR A 48 94.069 -0.397 12.918 1.00 0.00 C ATOM 471 CE1 TYR A 48 94.690 -2.998 13.735 1.00 0.00 C ATOM 472 CE2 TYR A 48 94.322 -0.665 14.269 1.00 0.00 C ATOM 473 CZ TYR A 48 94.630 -1.966 14.677 1.00 0.00 C ATOM 474 OH TYR A 48 94.881 -2.230 16.007 1.00 0.00 O ATOM 0 H TYR A 48 91.694 -0.771 8.767 1.00 0.00 H new ATOM 0 HA TYR A 48 93.238 -3.069 9.816 1.00 0.00 H new ATOM 0 HB2 TYR A 48 94.774 -1.239 9.935 1.00 0.00 H new ATOM 0 HB3 TYR A 48 93.524 -0.102 10.400 1.00 0.00 H new ATOM 0 HD1 TYR A 48 94.487 -3.533 11.659 1.00 0.00 H new ATOM 0 HD2 TYR A 48 93.828 0.608 12.604 1.00 0.00 H new ATOM 0 HE1 TYR A 48 94.930 -4.002 14.052 1.00 0.00 H new ATOM 0 HE2 TYR A 48 94.279 0.133 14.995 1.00 0.00 H new ATOM 0 HH TYR A 48 95.731 -2.710 16.090 1.00 0.00 H new ATOM 484 N ILE A 49 91.542 -3.439 11.545 1.00 0.00 N ATOM 485 CA ILE A 49 90.504 -3.733 12.522 1.00 0.00 C ATOM 486 C ILE A 49 91.078 -4.387 13.773 1.00 0.00 C ATOM 487 O ILE A 49 91.910 -5.292 13.694 1.00 0.00 O ATOM 488 CB ILE A 49 89.451 -4.653 11.910 1.00 0.00 C ATOM 489 CG1 ILE A 49 88.636 -3.879 10.870 1.00 0.00 C ATOM 490 CG2 ILE A 49 88.532 -5.191 13.008 1.00 0.00 C ATOM 491 CD1 ILE A 49 87.750 -4.851 10.090 1.00 0.00 C ATOM 0 H ILE A 49 92.158 -4.225 11.336 1.00 0.00 H new ATOM 0 HA ILE A 49 90.047 -2.786 12.809 1.00 0.00 H new ATOM 0 HB ILE A 49 89.944 -5.494 11.421 1.00 0.00 H new ATOM 0 HG12 ILE A 49 88.022 -3.125 11.362 1.00 0.00 H new ATOM 0 HG13 ILE A 49 89.303 -3.352 10.188 1.00 0.00 H new ATOM 0 HG21 ILE A 49 87.782 -5.847 12.566 1.00 0.00 H new ATOM 0 HG22 ILE A 49 89.122 -5.751 13.734 1.00 0.00 H new ATOM 0 HG23 ILE A 49 88.036 -4.359 13.508 1.00 0.00 H new ATOM 0 HD11 ILE A 49 87.170 -4.300 9.350 1.00 0.00 H new ATOM 0 HD12 ILE A 49 88.375 -5.588 9.586 1.00 0.00 H new ATOM 0 HD13 ILE A 49 87.073 -5.358 10.778 1.00 0.00 H new ATOM 503 N GLN A 50 90.610 -3.934 14.930 1.00 0.00 N ATOM 504 CA GLN A 50 91.071 -4.505 16.189 1.00 0.00 C ATOM 505 C GLN A 50 89.953 -4.480 17.230 1.00 0.00 C ATOM 506 O GLN A 50 89.085 -3.608 17.205 1.00 0.00 O ATOM 507 CB GLN A 50 92.283 -3.730 16.711 1.00 0.00 C ATOM 508 CG GLN A 50 91.842 -2.320 17.092 1.00 0.00 C ATOM 509 CD GLN A 50 91.335 -2.311 18.530 1.00 0.00 C ATOM 510 OE1 GLN A 50 92.091 -2.601 19.457 1.00 0.00 O ATOM 511 NE2 GLN A 50 90.087 -2.019 18.772 1.00 0.00 N ATOM 0 H GLN A 50 89.923 -3.186 15.023 1.00 0.00 H new ATOM 0 HA GLN A 50 91.361 -5.540 16.010 1.00 0.00 H new ATOM 0 HB2 GLN A 50 92.711 -4.237 17.576 1.00 0.00 H new ATOM 0 HB3 GLN A 50 93.061 -3.688 15.948 1.00 0.00 H new ATOM 0 HG2 GLN A 50 92.676 -1.627 16.986 1.00 0.00 H new ATOM 0 HG3 GLN A 50 91.057 -1.979 16.417 1.00 0.00 H new ATOM 0 HE21 GLN A 50 89.461 -1.779 18.003 1.00 0.00 H new ATOM 0 HE22 GLN A 50 89.737 -2.031 19.730 1.00 0.00 H new ATOM 520 N GLN A 51 89.972 -5.454 18.138 1.00 0.00 N ATOM 521 CA GLN A 51 88.949 -5.548 19.177 1.00 0.00 C ATOM 522 C GLN A 51 89.379 -4.817 20.448 1.00 0.00 C ATOM 523 O GLN A 51 90.520 -4.938 20.896 1.00 0.00 O ATOM 524 CB GLN A 51 88.668 -7.016 19.498 1.00 0.00 C ATOM 525 CG GLN A 51 87.581 -7.111 20.573 1.00 0.00 C ATOM 526 CD GLN A 51 87.161 -8.565 20.766 1.00 0.00 C ATOM 527 OE1 GLN A 51 86.595 -9.175 19.861 1.00 0.00 O ATOM 528 NE2 GLN A 51 87.417 -9.162 21.900 1.00 0.00 N ATOM 0 H GLN A 51 90.681 -6.186 18.175 1.00 0.00 H new ATOM 0 HA GLN A 51 88.042 -5.074 18.801 1.00 0.00 H new ATOM 0 HB2 GLN A 51 88.349 -7.540 18.597 1.00 0.00 H new ATOM 0 HB3 GLN A 51 89.579 -7.503 19.845 1.00 0.00 H new ATOM 0 HG2 GLN A 51 87.952 -6.703 21.513 1.00 0.00 H new ATOM 0 HG3 GLN A 51 86.719 -6.510 20.283 1.00 0.00 H new ATOM 0 HE21 GLN A 51 87.887 -8.654 22.649 1.00 0.00 H new ATOM 0 HE22 GLN A 51 87.147 -10.136 22.036 1.00 0.00 H new ATOM 537 N THR A 52 88.449 -4.060 21.024 1.00 0.00 N ATOM 538 CA THR A 52 88.718 -3.309 22.246 1.00 0.00 C ATOM 539 C THR A 52 88.515 -4.192 23.472 1.00 0.00 C ATOM 540 O THR A 52 88.356 -5.404 23.358 1.00 0.00 O ATOM 541 CB THR A 52 87.787 -2.100 22.341 1.00 0.00 C ATOM 542 OG1 THR A 52 86.459 -2.549 22.568 1.00 0.00 O ATOM 543 CG2 THR A 52 87.840 -1.306 21.036 1.00 0.00 C ATOM 0 H THR A 52 87.501 -3.951 20.663 1.00 0.00 H new ATOM 0 HA THR A 52 89.754 -2.970 22.214 1.00 0.00 H new ATOM 0 HB THR A 52 88.104 -1.460 23.164 1.00 0.00 H new ATOM 0 HG1 THR A 52 86.015 -1.949 23.203 1.00 0.00 H new ATOM 0 HG21 THR A 52 87.175 -0.445 21.107 1.00 0.00 H new ATOM 0 HG22 THR A 52 88.860 -0.964 20.859 1.00 0.00 H new ATOM 0 HG23 THR A 52 87.523 -1.942 20.210 1.00 0.00 H new ATOM 551 N ASP A 53 88.525 -3.576 24.647 1.00 0.00 N ATOM 552 CA ASP A 53 88.343 -4.325 25.882 1.00 0.00 C ATOM 553 C ASP A 53 86.867 -4.418 26.260 1.00 0.00 C ATOM 554 O ASP A 53 86.519 -5.000 27.288 1.00 0.00 O ATOM 555 CB ASP A 53 89.124 -3.654 27.012 1.00 0.00 C ATOM 556 CG ASP A 53 88.557 -2.260 27.273 1.00 0.00 C ATOM 557 OD1 ASP A 53 87.568 -1.918 26.648 1.00 0.00 O ATOM 558 OD2 ASP A 53 89.124 -1.555 28.093 1.00 0.00 O ATOM 0 H ASP A 53 88.656 -2.572 24.770 1.00 0.00 H new ATOM 0 HA ASP A 53 88.718 -5.336 25.725 1.00 0.00 H new ATOM 0 HB2 ASP A 53 89.063 -4.257 27.918 1.00 0.00 H new ATOM 0 HB3 ASP A 53 90.179 -3.584 26.746 1.00 0.00 H new ATOM 563 N ASP A 54 86.010 -3.850 25.423 1.00 0.00 N ATOM 564 CA ASP A 54 84.575 -3.879 25.674 1.00 0.00 C ATOM 565 C ASP A 54 83.889 -4.853 24.722 1.00 0.00 C ATOM 566 O ASP A 54 82.664 -4.861 24.602 1.00 0.00 O ATOM 567 CB ASP A 54 83.989 -2.479 25.502 1.00 0.00 C ATOM 568 CG ASP A 54 84.481 -1.576 26.629 1.00 0.00 C ATOM 569 OD1 ASP A 54 84.985 -2.105 27.607 1.00 0.00 O ATOM 570 OD2 ASP A 54 84.349 -0.371 26.498 1.00 0.00 O ATOM 0 H ASP A 54 86.281 -3.365 24.568 1.00 0.00 H new ATOM 0 HA ASP A 54 84.405 -4.214 26.697 1.00 0.00 H new ATOM 0 HB2 ASP A 54 84.284 -2.067 24.537 1.00 0.00 H new ATOM 0 HB3 ASP A 54 82.900 -2.526 25.509 1.00 0.00 H new ATOM 575 N SER A 55 84.690 -5.663 24.039 1.00 0.00 N ATOM 576 CA SER A 55 84.154 -6.627 23.086 1.00 0.00 C ATOM 577 C SER A 55 83.638 -5.897 21.855 1.00 0.00 C ATOM 578 O SER A 55 82.715 -6.362 21.186 1.00 0.00 O ATOM 579 CB SER A 55 83.011 -7.419 23.721 1.00 0.00 C ATOM 580 OG SER A 55 82.953 -8.712 23.133 1.00 0.00 O ATOM 0 H SER A 55 85.706 -5.672 24.126 1.00 0.00 H new ATOM 0 HA SER A 55 84.949 -7.316 22.799 1.00 0.00 H new ATOM 0 HB2 SER A 55 83.165 -7.503 24.797 1.00 0.00 H new ATOM 0 HB3 SER A 55 82.066 -6.897 23.574 1.00 0.00 H new ATOM 0 HG SER A 55 82.222 -9.223 23.539 1.00 0.00 H new ATOM 586 N LEU A 56 84.241 -4.746 21.569 1.00 0.00 N ATOM 587 CA LEU A 56 83.834 -3.942 20.418 1.00 0.00 C ATOM 588 C LEU A 56 84.938 -3.912 19.366 1.00 0.00 C ATOM 589 O LEU A 56 86.121 -3.967 19.698 1.00 0.00 O ATOM 590 CB LEU A 56 83.518 -2.510 20.858 1.00 0.00 C ATOM 591 CG LEU A 56 82.432 -2.522 21.941 1.00 0.00 C ATOM 592 CD1 LEU A 56 82.141 -1.087 22.388 1.00 0.00 C ATOM 593 CD2 LEU A 56 81.149 -3.148 21.385 1.00 0.00 C ATOM 0 H LEU A 56 85.008 -4.351 22.113 1.00 0.00 H new ATOM 0 HA LEU A 56 82.942 -4.396 19.986 1.00 0.00 H new ATOM 0 HB2 LEU A 56 84.419 -2.031 21.240 1.00 0.00 H new ATOM 0 HB3 LEU A 56 83.184 -1.923 20.002 1.00 0.00 H new ATOM 0 HG LEU A 56 82.781 -3.109 22.791 1.00 0.00 H new ATOM 0 HD11 LEU A 56 81.369 -1.095 23.158 1.00 0.00 H new ATOM 0 HD12 LEU A 56 83.050 -0.640 22.790 1.00 0.00 H new ATOM 0 HD13 LEU A 56 81.796 -0.503 21.535 1.00 0.00 H new ATOM 0 HD21 LEU A 56 80.382 -3.154 22.159 1.00 0.00 H new ATOM 0 HD22 LEU A 56 80.800 -2.566 20.532 1.00 0.00 H new ATOM 0 HD23 LEU A 56 81.351 -4.171 21.067 1.00 0.00 H new ATOM 605 N ILE A 57 84.543 -3.822 18.099 1.00 0.00 N ATOM 606 CA ILE A 57 85.516 -3.783 17.013 1.00 0.00 C ATOM 607 C ILE A 57 85.724 -2.350 16.538 1.00 0.00 C ATOM 608 O ILE A 57 84.765 -1.613 16.306 1.00 0.00 O ATOM 609 CB ILE A 57 85.043 -4.661 15.844 1.00 0.00 C ATOM 610 CG1 ILE A 57 85.588 -6.079 16.023 1.00 0.00 C ATOM 611 CG2 ILE A 57 85.558 -4.089 14.522 1.00 0.00 C ATOM 612 CD1 ILE A 57 85.147 -6.627 17.380 1.00 0.00 C ATOM 0 H ILE A 57 83.568 -3.775 17.802 1.00 0.00 H new ATOM 0 HA ILE A 57 86.465 -4.170 17.384 1.00 0.00 H new ATOM 0 HB ILE A 57 83.953 -4.681 15.829 1.00 0.00 H new ATOM 0 HG12 ILE A 57 85.224 -6.724 15.223 1.00 0.00 H new ATOM 0 HG13 ILE A 57 86.676 -6.073 15.957 1.00 0.00 H new ATOM 0 HG21 ILE A 57 85.219 -4.716 13.698 1.00 0.00 H new ATOM 0 HG22 ILE A 57 85.175 -3.077 14.389 1.00 0.00 H new ATOM 0 HG23 ILE A 57 86.648 -4.065 14.536 1.00 0.00 H new ATOM 0 HD11 ILE A 57 85.535 -7.637 17.508 1.00 0.00 H new ATOM 0 HD12 ILE A 57 85.533 -5.987 18.174 1.00 0.00 H new ATOM 0 HD13 ILE A 57 84.058 -6.648 17.428 1.00 0.00 H new ATOM 624 N HIS A 58 86.989 -1.972 16.375 1.00 0.00 N ATOM 625 CA HIS A 58 87.316 -0.634 15.907 1.00 0.00 C ATOM 626 C HIS A 58 87.760 -0.695 14.452 1.00 0.00 C ATOM 627 O HIS A 58 88.757 -1.345 14.122 1.00 0.00 O ATOM 628 CB HIS A 58 88.425 -0.022 16.764 1.00 0.00 C ATOM 629 CG HIS A 58 88.425 1.475 16.604 1.00 0.00 C ATOM 630 ND1 HIS A 58 89.185 2.302 17.420 1.00 0.00 N ATOM 631 CD2 HIS A 58 87.769 2.307 15.734 1.00 0.00 C ATOM 632 CE1 HIS A 58 88.969 3.569 17.024 1.00 0.00 C ATOM 633 NE2 HIS A 58 88.113 3.629 16.000 1.00 0.00 N ATOM 0 H HIS A 58 87.795 -2.569 16.559 1.00 0.00 H new ATOM 0 HA HIS A 58 86.428 -0.007 15.989 1.00 0.00 H new ATOM 0 HB2 HIS A 58 88.275 -0.285 17.811 1.00 0.00 H new ATOM 0 HB3 HIS A 58 89.392 -0.429 16.468 1.00 0.00 H new ATOM 0 HD2 HIS A 58 87.088 1.985 14.960 1.00 0.00 H new ATOM 0 HE1 HIS A 58 89.431 4.433 17.478 1.00 0.00 H new ATOM 0 HE2 HIS A 58 87.783 4.464 15.517 1.00 0.00 H new ATOM 641 N PHE A 59 87.004 -0.020 13.591 1.00 0.00 N ATOM 642 CA PHE A 59 87.308 0.010 12.167 1.00 0.00 C ATOM 643 C PHE A 59 88.127 1.244 11.826 1.00 0.00 C ATOM 644 O PHE A 59 87.696 2.375 12.054 1.00 0.00 O ATOM 645 CB PHE A 59 86.010 0.008 11.360 1.00 0.00 C ATOM 646 CG PHE A 59 86.220 0.740 10.056 1.00 0.00 C ATOM 647 CD1 PHE A 59 86.920 0.134 9.009 1.00 0.00 C ATOM 648 CD2 PHE A 59 85.711 2.035 9.902 1.00 0.00 C ATOM 649 CE1 PHE A 59 87.110 0.822 7.803 1.00 0.00 C ATOM 650 CE2 PHE A 59 85.900 2.723 8.699 1.00 0.00 C ATOM 651 CZ PHE A 59 86.599 2.117 7.650 1.00 0.00 C ATOM 0 H PHE A 59 86.176 0.513 13.856 1.00 0.00 H new ATOM 0 HA PHE A 59 87.890 -0.876 11.914 1.00 0.00 H new ATOM 0 HB2 PHE A 59 85.693 -1.017 11.166 1.00 0.00 H new ATOM 0 HB3 PHE A 59 85.214 0.485 11.932 1.00 0.00 H new ATOM 0 HD1 PHE A 59 87.314 -0.864 9.129 1.00 0.00 H new ATOM 0 HD2 PHE A 59 85.172 2.503 10.713 1.00 0.00 H new ATOM 0 HE1 PHE A 59 87.650 0.354 6.993 1.00 0.00 H new ATOM 0 HE2 PHE A 59 85.506 3.722 8.580 1.00 0.00 H new ATOM 0 HZ PHE A 59 86.745 2.648 6.721 1.00 0.00 H new ATOM 661 N CYS A 60 89.316 1.012 11.286 1.00 0.00 N ATOM 662 CA CYS A 60 90.210 2.098 10.921 1.00 0.00 C ATOM 663 C CYS A 60 90.669 1.971 9.477 1.00 0.00 C ATOM 664 O CYS A 60 91.016 0.885 9.016 1.00 0.00 O ATOM 665 CB CYS A 60 91.419 2.089 11.846 1.00 0.00 C ATOM 666 SG CYS A 60 92.861 2.723 10.958 1.00 0.00 S ATOM 0 H CYS A 60 89.682 0.080 11.092 1.00 0.00 H new ATOM 0 HA CYS A 60 89.669 3.039 11.023 1.00 0.00 H new ATOM 0 HB2 CYS A 60 91.222 2.702 12.726 1.00 0.00 H new ATOM 0 HB3 CYS A 60 91.612 1.076 12.200 1.00 0.00 H new ATOM 0 HG CYS A 60 93.860 1.905 11.112 1.00 0.00 H new ATOM 672 N TRP A 61 90.672 3.100 8.774 1.00 0.00 N ATOM 673 CA TRP A 61 91.099 3.123 7.381 1.00 0.00 C ATOM 674 C TRP A 61 92.243 4.113 7.199 1.00 0.00 C ATOM 675 O TRP A 61 92.058 5.329 7.275 1.00 0.00 O ATOM 676 CB TRP A 61 89.922 3.522 6.488 1.00 0.00 C ATOM 677 CG TRP A 61 90.304 3.356 5.054 1.00 0.00 C ATOM 678 CD1 TRP A 61 90.732 2.200 4.494 1.00 0.00 C ATOM 679 CD2 TRP A 61 90.301 4.350 3.992 1.00 0.00 C ATOM 680 NE1 TRP A 61 90.989 2.423 3.154 1.00 0.00 N ATOM 681 CE2 TRP A 61 90.744 3.731 2.800 1.00 0.00 C ATOM 682 CE3 TRP A 61 89.961 5.714 3.943 1.00 0.00 C ATOM 683 CZ2 TRP A 61 90.850 4.437 1.607 1.00 0.00 C ATOM 684 CZ3 TRP A 61 90.064 6.428 2.738 1.00 0.00 C ATOM 685 CH2 TRP A 61 90.509 5.790 1.572 1.00 0.00 C ATOM 0 H TRP A 61 90.385 4.006 9.145 1.00 0.00 H new ATOM 0 HA TRP A 61 91.445 2.128 7.100 1.00 0.00 H new ATOM 0 HB2 TRP A 61 89.053 2.905 6.717 1.00 0.00 H new ATOM 0 HB3 TRP A 61 89.639 4.557 6.682 1.00 0.00 H new ATOM 0 HD1 TRP A 61 90.853 1.259 5.009 1.00 0.00 H new ATOM 0 HE1 TRP A 61 91.319 1.707 2.507 1.00 0.00 H new ATOM 0 HE3 TRP A 61 89.619 6.215 4.837 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 91.195 3.941 0.712 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 89.799 7.475 2.710 1.00 0.00 H new ATOM 0 HH2 TRP A 61 90.588 6.344 0.648 1.00 0.00 H new ATOM 696 N LYS A 62 93.427 3.577 6.948 1.00 0.00 N ATOM 697 CA LYS A 62 94.607 4.402 6.743 1.00 0.00 C ATOM 698 C LYS A 62 94.876 4.588 5.262 1.00 0.00 C ATOM 699 O LYS A 62 94.292 3.911 4.419 1.00 0.00 O ATOM 700 CB LYS A 62 95.838 3.766 7.386 1.00 0.00 C ATOM 701 CG LYS A 62 96.050 4.308 8.801 1.00 0.00 C ATOM 702 CD LYS A 62 97.331 3.704 9.382 1.00 0.00 C ATOM 703 CE LYS A 62 96.979 2.536 10.305 1.00 0.00 C ATOM 704 NZ LYS A 62 96.446 3.060 11.596 1.00 0.00 N ATOM 0 H LYS A 62 93.596 2.573 6.881 1.00 0.00 H new ATOM 0 HA LYS A 62 94.414 5.369 7.208 1.00 0.00 H new ATOM 0 HB2 LYS A 62 95.718 2.683 7.420 1.00 0.00 H new ATOM 0 HB3 LYS A 62 96.719 3.970 6.777 1.00 0.00 H new ATOM 0 HG2 LYS A 62 96.123 5.395 8.780 1.00 0.00 H new ATOM 0 HG3 LYS A 62 95.197 4.058 9.431 1.00 0.00 H new ATOM 0 HD2 LYS A 62 97.980 3.360 8.577 1.00 0.00 H new ATOM 0 HD3 LYS A 62 97.884 4.463 9.935 1.00 0.00 H new ATOM 0 HE2 LYS A 62 96.239 1.893 9.829 1.00 0.00 H new ATOM 0 HE3 LYS A 62 97.863 1.924 10.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 96.662 2.388 12.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 96.888 3.977 11.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 95.416 3.181 11.523 1.00 0.00 H new ATOM 718 N ASP A 63 95.768 5.516 4.957 1.00 0.00 N ATOM 719 CA ASP A 63 96.118 5.799 3.578 1.00 0.00 C ATOM 720 C ASP A 63 97.453 5.152 3.211 1.00 0.00 C ATOM 721 O ASP A 63 98.446 5.319 3.896 1.00 0.00 O ATOM 722 CB ASP A 63 96.202 7.312 3.367 1.00 0.00 C ATOM 723 CG ASP A 63 96.026 7.656 1.890 1.00 0.00 C ATOM 724 OD1 ASP A 63 95.879 6.741 1.097 1.00 0.00 O ATOM 725 OD2 ASP A 63 96.033 8.836 1.576 1.00 0.00 O ATOM 0 H ASP A 63 96.261 6.084 5.645 1.00 0.00 H new ATOM 0 HA ASP A 63 95.344 5.382 2.933 1.00 0.00 H new ATOM 0 HB2 ASP A 63 95.433 7.811 3.957 1.00 0.00 H new ATOM 0 HB3 ASP A 63 97.165 7.682 3.720 1.00 0.00 H new ATOM 730 N ARG A 64 97.456 4.415 2.123 1.00 0.00 N ATOM 731 CA ARG A 64 98.666 3.752 1.650 1.00 0.00 C ATOM 732 C ARG A 64 99.724 4.780 1.247 1.00 0.00 C ATOM 733 O ARG A 64 100.921 4.557 1.427 1.00 0.00 O ATOM 734 CB ARG A 64 98.336 2.834 0.468 1.00 0.00 C ATOM 735 CG ARG A 64 97.683 1.549 0.987 1.00 0.00 C ATOM 736 CD ARG A 64 98.768 0.508 1.283 1.00 0.00 C ATOM 737 NE ARG A 64 99.333 0.005 0.036 1.00 0.00 N ATOM 738 CZ ARG A 64 100.500 -0.630 0.014 1.00 0.00 C ATOM 739 NH1 ARG A 64 100.969 -1.087 -1.114 1.00 0.00 N ATOM 740 NH2 ARG A 64 101.181 -0.787 1.116 1.00 0.00 N ATOM 0 H ARG A 64 96.633 4.255 1.542 1.00 0.00 H new ATOM 0 HA ARG A 64 99.070 3.148 2.463 1.00 0.00 H new ATOM 0 HB2 ARG A 64 97.665 3.342 -0.224 1.00 0.00 H new ATOM 0 HB3 ARG A 64 99.244 2.595 -0.086 1.00 0.00 H new ATOM 0 HG2 ARG A 64 97.109 1.759 1.890 1.00 0.00 H new ATOM 0 HG3 ARG A 64 96.983 1.160 0.248 1.00 0.00 H new ATOM 0 HD2 ARG A 64 99.553 0.953 1.894 1.00 0.00 H new ATOM 0 HD3 ARG A 64 98.345 -0.316 1.858 1.00 0.00 H new ATOM 0 HE ARG A 64 98.822 0.143 -0.836 1.00 0.00 H new ATOM 0 HH11 ARG A 64 100.440 -0.957 -1.976 1.00 0.00 H new ATOM 0 HH12 ARG A 64 101.865 -1.575 -1.134 1.00 0.00 H new ATOM 0 HH21 ARG A 64 100.818 -0.422 1.996 1.00 0.00 H new ATOM 0 HH22 ARG A 64 102.077 -1.275 1.097 1.00 0.00 H new ATOM 754 N THR A 65 99.273 5.899 0.685 1.00 0.00 N ATOM 755 CA THR A 65 100.188 6.951 0.247 1.00 0.00 C ATOM 756 C THR A 65 100.570 7.887 1.396 1.00 0.00 C ATOM 757 O THR A 65 101.675 8.431 1.417 1.00 0.00 O ATOM 758 CB THR A 65 99.541 7.766 -0.874 1.00 0.00 C ATOM 759 OG1 THR A 65 100.310 8.936 -1.108 1.00 0.00 O ATOM 760 CG2 THR A 65 98.120 8.158 -0.473 1.00 0.00 C ATOM 0 H THR A 65 98.286 6.100 0.523 1.00 0.00 H new ATOM 0 HA THR A 65 101.096 6.469 -0.114 1.00 0.00 H new ATOM 0 HB THR A 65 99.503 7.166 -1.783 1.00 0.00 H new ATOM 0 HG1 THR A 65 99.899 9.460 -1.827 1.00 0.00 H new ATOM 0 HG21 THR A 65 97.663 8.738 -1.274 1.00 0.00 H new ATOM 0 HG22 THR A 65 97.531 7.258 -0.295 1.00 0.00 H new ATOM 0 HG23 THR A 65 98.151 8.757 0.437 1.00 0.00 H new ATOM 768 N SER A 66 99.656 8.085 2.344 1.00 0.00 N ATOM 769 CA SER A 66 99.929 8.972 3.473 1.00 0.00 C ATOM 770 C SER A 66 100.315 8.175 4.713 1.00 0.00 C ATOM 771 O SER A 66 101.217 8.565 5.454 1.00 0.00 O ATOM 772 CB SER A 66 98.700 9.829 3.774 1.00 0.00 C ATOM 773 OG SER A 66 99.100 11.187 3.913 1.00 0.00 O ATOM 0 H SER A 66 98.733 7.651 2.354 1.00 0.00 H new ATOM 0 HA SER A 66 100.765 9.617 3.203 1.00 0.00 H new ATOM 0 HB2 SER A 66 97.969 9.733 2.971 1.00 0.00 H new ATOM 0 HB3 SER A 66 98.216 9.484 4.688 1.00 0.00 H new ATOM 0 HG SER A 66 99.351 11.360 4.844 1.00 0.00 H new ATOM 779 N GLY A 67 99.627 7.062 4.937 1.00 0.00 N ATOM 780 CA GLY A 67 99.913 6.227 6.099 1.00 0.00 C ATOM 781 C GLY A 67 99.225 6.785 7.334 1.00 0.00 C ATOM 782 O GLY A 67 99.437 6.311 8.450 1.00 0.00 O ATOM 0 H GLY A 67 98.876 6.719 4.338 1.00 0.00 H new ATOM 0 HA2 GLY A 67 99.573 5.208 5.915 1.00 0.00 H new ATOM 0 HA3 GLY A 67 100.989 6.179 6.265 1.00 0.00 H new ATOM 786 N ASN A 68 98.402 7.806 7.122 1.00 0.00 N ATOM 787 CA ASN A 68 97.683 8.443 8.222 1.00 0.00 C ATOM 788 C ASN A 68 96.245 7.939 8.293 1.00 0.00 C ATOM 789 O ASN A 68 95.668 7.546 7.280 1.00 0.00 O ATOM 790 CB ASN A 68 97.689 9.960 8.030 1.00 0.00 C ATOM 791 CG ASN A 68 99.124 10.472 7.995 1.00 0.00 C ATOM 792 OD1 ASN A 68 99.621 10.858 6.937 1.00 0.00 O ATOM 793 ND2 ASN A 68 99.824 10.511 9.098 1.00 0.00 N ATOM 0 H ASN A 68 98.216 8.210 6.204 1.00 0.00 H new ATOM 0 HA ASN A 68 98.184 8.190 9.156 1.00 0.00 H new ATOM 0 HB2 ASN A 68 97.178 10.220 7.103 1.00 0.00 H new ATOM 0 HB3 ASN A 68 97.142 10.440 8.841 1.00 0.00 H new ATOM 0 HD21 ASN A 68 100.782 10.861 9.082 1.00 0.00 H new ATOM 0 HD22 ASN A 68 99.412 10.191 9.975 1.00 0.00 H new ATOM 800 N VAL A 69 95.671 7.942 9.497 1.00 0.00 N ATOM 801 CA VAL A 69 94.301 7.472 9.673 1.00 0.00 C ATOM 802 C VAL A 69 93.315 8.487 9.119 1.00 0.00 C ATOM 803 O VAL A 69 93.016 9.496 9.755 1.00 0.00 O ATOM 804 CB VAL A 69 94.023 7.247 11.153 1.00 0.00 C ATOM 805 CG1 VAL A 69 94.637 5.915 11.574 1.00 0.00 C ATOM 806 CG2 VAL A 69 94.650 8.383 11.963 1.00 0.00 C ATOM 0 H VAL A 69 96.127 8.260 10.352 1.00 0.00 H new ATOM 0 HA VAL A 69 94.181 6.534 9.131 1.00 0.00 H new ATOM 0 HB VAL A 69 92.948 7.228 11.333 1.00 0.00 H new ATOM 0 HG11 VAL A 69 94.444 5.744 12.633 1.00 0.00 H new ATOM 0 HG12 VAL A 69 94.194 5.109 10.989 1.00 0.00 H new ATOM 0 HG13 VAL A 69 95.713 5.939 11.401 1.00 0.00 H new ATOM 0 HG21 VAL A 69 94.453 8.225 13.023 1.00 0.00 H new ATOM 0 HG22 VAL A 69 95.726 8.400 11.792 1.00 0.00 H new ATOM 0 HG23 VAL A 69 94.218 9.334 11.651 1.00 0.00 H new ATOM 816 N GLU A 70 92.818 8.202 7.925 1.00 0.00 N ATOM 817 CA GLU A 70 91.862 9.088 7.274 1.00 0.00 C ATOM 818 C GLU A 70 90.474 8.968 7.898 1.00 0.00 C ATOM 819 O GLU A 70 89.772 9.964 8.069 1.00 0.00 O ATOM 820 CB GLU A 70 91.795 8.781 5.780 1.00 0.00 C ATOM 821 CG GLU A 70 90.874 9.795 5.100 1.00 0.00 C ATOM 822 CD GLU A 70 90.938 9.625 3.588 1.00 0.00 C ATOM 823 OE1 GLU A 70 91.694 8.780 3.139 1.00 0.00 O ATOM 824 OE2 GLU A 70 90.232 10.343 2.899 1.00 0.00 O ATOM 0 H GLU A 70 93.059 7.369 7.388 1.00 0.00 H new ATOM 0 HA GLU A 70 92.205 10.113 7.416 1.00 0.00 H new ATOM 0 HB2 GLU A 70 92.792 8.826 5.342 1.00 0.00 H new ATOM 0 HB3 GLU A 70 91.423 7.769 5.621 1.00 0.00 H new ATOM 0 HG2 GLU A 70 89.850 9.658 5.447 1.00 0.00 H new ATOM 0 HG3 GLU A 70 91.170 10.808 5.373 1.00 0.00 H new ATOM 831 N ASP A 71 90.077 7.739 8.221 1.00 0.00 N ATOM 832 CA ASP A 71 88.759 7.502 8.808 1.00 0.00 C ATOM 833 C ASP A 71 88.818 6.398 9.860 1.00 0.00 C ATOM 834 O ASP A 71 89.417 5.346 9.641 1.00 0.00 O ATOM 835 CB ASP A 71 87.772 7.100 7.712 1.00 0.00 C ATOM 836 CG ASP A 71 86.345 7.127 8.252 1.00 0.00 C ATOM 837 OD1 ASP A 71 86.161 7.582 9.369 1.00 0.00 O ATOM 838 OD2 ASP A 71 85.455 6.691 7.539 1.00 0.00 O ATOM 0 H ASP A 71 90.642 6.900 8.088 1.00 0.00 H new ATOM 0 HA ASP A 71 88.430 8.424 9.288 1.00 0.00 H new ATOM 0 HB2 ASP A 71 87.861 7.780 6.865 1.00 0.00 H new ATOM 0 HB3 ASP A 71 88.011 6.102 7.346 1.00 0.00 H new ATOM 843 N ASP A 72 88.187 6.643 11.003 1.00 0.00 N ATOM 844 CA ASP A 72 88.167 5.663 12.077 1.00 0.00 C ATOM 845 C ASP A 72 86.898 5.825 12.905 1.00 0.00 C ATOM 846 O ASP A 72 86.510 6.941 13.251 1.00 0.00 O ATOM 847 CB ASP A 72 89.413 5.835 12.951 1.00 0.00 C ATOM 848 CG ASP A 72 89.468 7.255 13.507 1.00 0.00 C ATOM 849 OD1 ASP A 72 88.596 8.037 13.166 1.00 0.00 O ATOM 850 OD2 ASP A 72 90.381 7.539 14.264 1.00 0.00 O ATOM 0 H ASP A 72 87.686 7.508 11.207 1.00 0.00 H new ATOM 0 HA ASP A 72 88.173 4.658 11.654 1.00 0.00 H new ATOM 0 HB2 ASP A 72 89.395 5.115 13.770 1.00 0.00 H new ATOM 0 HB3 ASP A 72 90.309 5.630 12.366 1.00 0.00 H new ATOM 855 N LEU A 73 86.244 4.708 13.207 1.00 0.00 N ATOM 856 CA LEU A 73 85.016 4.741 13.976 1.00 0.00 C ATOM 857 C LEU A 73 84.738 3.373 14.580 1.00 0.00 C ATOM 858 O LEU A 73 84.991 2.343 13.956 1.00 0.00 O ATOM 859 CB LEU A 73 83.847 5.148 13.078 1.00 0.00 C ATOM 860 CG LEU A 73 82.708 5.680 13.943 1.00 0.00 C ATOM 861 CD1 LEU A 73 82.873 7.188 14.147 1.00 0.00 C ATOM 862 CD2 LEU A 73 81.369 5.397 13.258 1.00 0.00 C ATOM 0 H LEU A 73 86.547 3.774 12.930 1.00 0.00 H new ATOM 0 HA LEU A 73 85.127 5.471 14.778 1.00 0.00 H new ATOM 0 HB2 LEU A 73 84.167 5.911 12.368 1.00 0.00 H new ATOM 0 HB3 LEU A 73 83.507 4.293 12.494 1.00 0.00 H new ATOM 0 HG LEU A 73 82.731 5.183 14.913 1.00 0.00 H new ATOM 0 HD11 LEU A 73 82.057 7.563 14.765 1.00 0.00 H new ATOM 0 HD12 LEU A 73 83.824 7.386 14.642 1.00 0.00 H new ATOM 0 HD13 LEU A 73 82.855 7.690 13.180 1.00 0.00 H new ATOM 0 HD21 LEU A 73 80.556 5.777 13.877 1.00 0.00 H new ATOM 0 HD22 LEU A 73 81.346 5.890 12.286 1.00 0.00 H new ATOM 0 HD23 LEU A 73 81.250 4.322 13.123 1.00 0.00 H new ATOM 874 N ILE A 74 84.211 3.371 15.791 1.00 0.00 N ATOM 875 CA ILE A 74 83.896 2.126 16.470 1.00 0.00 C ATOM 876 C ILE A 74 82.635 1.487 15.912 1.00 0.00 C ATOM 877 O ILE A 74 81.600 2.141 15.775 1.00 0.00 O ATOM 878 CB ILE A 74 83.698 2.379 17.948 1.00 0.00 C ATOM 879 CG1 ILE A 74 85.044 2.698 18.601 1.00 0.00 C ATOM 880 CG2 ILE A 74 83.078 1.135 18.592 1.00 0.00 C ATOM 881 CD1 ILE A 74 84.804 3.212 20.019 1.00 0.00 C ATOM 0 H ILE A 74 83.993 4.213 16.323 1.00 0.00 H new ATOM 0 HA ILE A 74 84.733 1.446 16.310 1.00 0.00 H new ATOM 0 HB ILE A 74 83.030 3.228 18.091 1.00 0.00 H new ATOM 0 HG12 ILE A 74 85.670 1.806 18.626 1.00 0.00 H new ATOM 0 HG13 ILE A 74 85.578 3.446 18.015 1.00 0.00 H new ATOM 0 HG21 ILE A 74 82.933 1.311 19.658 1.00 0.00 H new ATOM 0 HG22 ILE A 74 82.116 0.924 18.125 1.00 0.00 H new ATOM 0 HG23 ILE A 74 83.743 0.283 18.452 1.00 0.00 H new ATOM 0 HD11 ILE A 74 85.760 3.441 20.490 1.00 0.00 H new ATOM 0 HD12 ILE A 74 84.193 4.114 19.981 1.00 0.00 H new ATOM 0 HD13 ILE A 74 84.287 2.448 20.600 1.00 0.00 H new ATOM 893 N ILE A 75 82.732 0.198 15.609 1.00 0.00 N ATOM 894 CA ILE A 75 81.601 -0.546 15.081 1.00 0.00 C ATOM 895 C ILE A 75 81.286 -1.751 15.969 1.00 0.00 C ATOM 896 O ILE A 75 82.161 -2.569 16.279 1.00 0.00 O ATOM 897 CB ILE A 75 81.902 -1.014 13.658 1.00 0.00 C ATOM 898 CG1 ILE A 75 82.134 0.208 12.757 1.00 0.00 C ATOM 899 CG2 ILE A 75 80.717 -1.822 13.139 1.00 0.00 C ATOM 900 CD1 ILE A 75 82.658 -0.248 11.391 1.00 0.00 C ATOM 0 H ILE A 75 83.584 -0.352 15.721 1.00 0.00 H new ATOM 0 HA ILE A 75 80.732 0.112 15.067 1.00 0.00 H new ATOM 0 HB ILE A 75 82.797 -1.636 13.653 1.00 0.00 H new ATOM 0 HG12 ILE A 75 81.204 0.762 12.634 1.00 0.00 H new ATOM 0 HG13 ILE A 75 82.849 0.885 13.224 1.00 0.00 H new ATOM 0 HG21 ILE A 75 80.924 -2.160 12.124 1.00 0.00 H new ATOM 0 HG22 ILE A 75 80.556 -2.686 13.783 1.00 0.00 H new ATOM 0 HG23 ILE A 75 79.823 -1.198 13.139 1.00 0.00 H new ATOM 0 HD11 ILE A 75 82.821 0.622 10.755 1.00 0.00 H new ATOM 0 HD12 ILE A 75 83.599 -0.783 11.522 1.00 0.00 H new ATOM 0 HD13 ILE A 75 81.927 -0.908 10.923 1.00 0.00 H new ATOM 912 N PHE A 76 80.027 -1.847 16.380 1.00 0.00 N ATOM 913 CA PHE A 76 79.585 -2.948 17.231 1.00 0.00 C ATOM 914 C PHE A 76 78.988 -4.074 16.366 1.00 0.00 C ATOM 915 O PHE A 76 78.173 -3.800 15.487 1.00 0.00 O ATOM 916 CB PHE A 76 78.508 -2.453 18.196 1.00 0.00 C ATOM 917 CG PHE A 76 78.548 -0.947 18.278 1.00 0.00 C ATOM 918 CD1 PHE A 76 77.843 -0.181 17.340 1.00 0.00 C ATOM 919 CD2 PHE A 76 79.282 -0.314 19.287 1.00 0.00 C ATOM 920 CE1 PHE A 76 77.876 1.216 17.409 1.00 0.00 C ATOM 921 CE2 PHE A 76 79.315 1.084 19.358 1.00 0.00 C ATOM 922 CZ PHE A 76 78.611 1.849 18.420 1.00 0.00 C ATOM 0 H PHE A 76 79.295 -1.178 16.139 1.00 0.00 H new ATOM 0 HA PHE A 76 80.443 -3.325 17.788 1.00 0.00 H new ATOM 0 HB2 PHE A 76 77.525 -2.782 17.858 1.00 0.00 H new ATOM 0 HB3 PHE A 76 78.666 -2.884 19.184 1.00 0.00 H new ATOM 0 HD1 PHE A 76 77.274 -0.669 16.563 1.00 0.00 H new ATOM 0 HD2 PHE A 76 79.823 -0.904 20.012 1.00 0.00 H new ATOM 0 HE1 PHE A 76 77.335 1.806 16.684 1.00 0.00 H new ATOM 0 HE2 PHE A 76 79.883 1.572 20.136 1.00 0.00 H new ATOM 0 HZ PHE A 76 78.635 2.927 18.476 1.00 0.00 H new ATOM 932 N PRO A 77 79.349 -5.321 16.586 1.00 0.00 N ATOM 933 CA PRO A 77 78.797 -6.454 15.784 1.00 0.00 C ATOM 934 C PRO A 77 77.286 -6.323 15.538 1.00 0.00 C ATOM 935 O PRO A 77 76.471 -6.832 16.307 1.00 0.00 O ATOM 936 CB PRO A 77 79.104 -7.684 16.642 1.00 0.00 C ATOM 937 CG PRO A 77 80.294 -7.321 17.466 1.00 0.00 C ATOM 938 CD PRO A 77 80.315 -5.795 17.598 1.00 0.00 C ATOM 0 HA PRO A 77 79.236 -6.497 14.787 1.00 0.00 H new ATOM 0 HB2 PRO A 77 78.254 -7.941 17.275 1.00 0.00 H new ATOM 0 HB3 PRO A 77 79.311 -8.554 16.018 1.00 0.00 H new ATOM 0 HG2 PRO A 77 80.238 -7.790 18.448 1.00 0.00 H new ATOM 0 HG3 PRO A 77 81.210 -7.678 16.995 1.00 0.00 H new ATOM 0 HD2 PRO A 77 80.026 -5.480 18.601 1.00 0.00 H new ATOM 0 HD3 PRO A 77 81.312 -5.395 17.413 1.00 0.00 H new ATOM 946 N ASP A 78 76.920 -5.647 14.449 1.00 0.00 N ATOM 947 CA ASP A 78 75.506 -5.472 14.106 1.00 0.00 C ATOM 948 C ASP A 78 75.342 -4.448 12.987 1.00 0.00 C ATOM 949 O ASP A 78 74.548 -4.643 12.067 1.00 0.00 O ATOM 950 CB ASP A 78 74.702 -5.014 15.330 1.00 0.00 C ATOM 951 CG ASP A 78 73.844 -6.165 15.849 1.00 0.00 C ATOM 952 OD1 ASP A 78 72.965 -6.596 15.120 1.00 0.00 O ATOM 953 OD2 ASP A 78 74.078 -6.598 16.965 1.00 0.00 O ATOM 0 H ASP A 78 77.573 -5.216 13.795 1.00 0.00 H new ATOM 0 HA ASP A 78 75.128 -6.437 13.768 1.00 0.00 H new ATOM 0 HB2 ASP A 78 75.379 -4.672 16.113 1.00 0.00 H new ATOM 0 HB3 ASP A 78 74.068 -4.168 15.064 1.00 0.00 H new ATOM 958 N ASP A 79 76.094 -3.358 13.076 1.00 0.00 N ATOM 959 CA ASP A 79 76.027 -2.306 12.072 1.00 0.00 C ATOM 960 C ASP A 79 77.103 -2.503 11.014 1.00 0.00 C ATOM 961 O ASP A 79 78.264 -2.152 11.223 1.00 0.00 O ATOM 962 CB ASP A 79 76.212 -0.940 12.737 1.00 0.00 C ATOM 963 CG ASP A 79 76.124 0.165 11.690 1.00 0.00 C ATOM 964 OD1 ASP A 79 75.984 -0.161 10.523 1.00 0.00 O ATOM 965 OD2 ASP A 79 76.200 1.321 12.071 1.00 0.00 O ATOM 0 H ASP A 79 76.756 -3.180 13.832 1.00 0.00 H new ATOM 0 HA ASP A 79 75.049 -2.351 11.592 1.00 0.00 H new ATOM 0 HB2 ASP A 79 75.448 -0.791 13.500 1.00 0.00 H new ATOM 0 HB3 ASP A 79 77.178 -0.899 13.241 1.00 0.00 H new ATOM 970 N CYS A 80 76.706 -3.058 9.877 1.00 0.00 N ATOM 971 CA CYS A 80 77.639 -3.297 8.782 1.00 0.00 C ATOM 972 C CYS A 80 76.989 -4.154 7.704 1.00 0.00 C ATOM 973 O CYS A 80 77.258 -5.350 7.605 1.00 0.00 O ATOM 974 CB CYS A 80 78.898 -3.999 9.297 1.00 0.00 C ATOM 975 SG CYS A 80 78.451 -5.130 10.635 1.00 0.00 S ATOM 0 H CYS A 80 75.747 -3.351 9.688 1.00 0.00 H new ATOM 0 HA CYS A 80 77.914 -2.332 8.355 1.00 0.00 H new ATOM 0 HB2 CYS A 80 79.378 -4.548 8.487 1.00 0.00 H new ATOM 0 HB3 CYS A 80 79.618 -3.263 9.654 1.00 0.00 H new ATOM 0 HG CYS A 80 79.519 -5.729 11.072 1.00 0.00 H new ATOM 981 N GLU A 81 76.134 -3.540 6.897 1.00 0.00 N ATOM 982 CA GLU A 81 75.460 -4.270 5.833 1.00 0.00 C ATOM 983 C GLU A 81 76.271 -4.175 4.546 1.00 0.00 C ATOM 984 O GLU A 81 76.510 -3.077 4.042 1.00 0.00 O ATOM 985 CB GLU A 81 74.065 -3.682 5.603 1.00 0.00 C ATOM 986 CG GLU A 81 73.270 -4.591 4.664 1.00 0.00 C ATOM 987 CD GLU A 81 72.967 -5.917 5.356 1.00 0.00 C ATOM 988 OE1 GLU A 81 72.971 -5.939 6.576 1.00 0.00 O ATOM 989 OE2 GLU A 81 72.741 -6.890 4.656 1.00 0.00 O ATOM 0 H GLU A 81 75.893 -2.551 6.957 1.00 0.00 H new ATOM 0 HA GLU A 81 75.367 -5.316 6.124 1.00 0.00 H new ATOM 0 HB2 GLU A 81 73.542 -3.579 6.554 1.00 0.00 H new ATOM 0 HB3 GLU A 81 74.147 -2.683 5.174 1.00 0.00 H new ATOM 0 HG2 GLU A 81 72.340 -4.103 4.372 1.00 0.00 H new ATOM 0 HG3 GLU A 81 73.837 -4.769 3.750 1.00 0.00 H new ATOM 996 N PHE A 82 76.693 -5.322 4.015 1.00 0.00 N ATOM 997 CA PHE A 82 77.482 -5.333 2.787 1.00 0.00 C ATOM 998 C PHE A 82 76.686 -5.939 1.642 1.00 0.00 C ATOM 999 O PHE A 82 75.922 -6.886 1.835 1.00 0.00 O ATOM 1000 CB PHE A 82 78.765 -6.142 2.987 1.00 0.00 C ATOM 1001 CG PHE A 82 78.449 -7.617 2.909 1.00 0.00 C ATOM 1002 CD1 PHE A 82 78.559 -8.288 1.685 1.00 0.00 C ATOM 1003 CD2 PHE A 82 78.046 -8.313 4.054 1.00 0.00 C ATOM 1004 CE1 PHE A 82 78.265 -9.654 1.605 1.00 0.00 C ATOM 1005 CE2 PHE A 82 77.751 -9.681 3.974 1.00 0.00 C ATOM 1006 CZ PHE A 82 77.862 -10.351 2.750 1.00 0.00 C ATOM 0 H PHE A 82 76.504 -6.243 4.410 1.00 0.00 H new ATOM 0 HA PHE A 82 77.735 -4.302 2.541 1.00 0.00 H new ATOM 0 HB2 PHE A 82 79.498 -5.876 2.225 1.00 0.00 H new ATOM 0 HB3 PHE A 82 79.210 -5.905 3.954 1.00 0.00 H new ATOM 0 HD1 PHE A 82 78.871 -7.751 0.802 1.00 0.00 H new ATOM 0 HD2 PHE A 82 77.962 -7.797 4.999 1.00 0.00 H new ATOM 0 HE1 PHE A 82 78.349 -10.170 0.660 1.00 0.00 H new ATOM 0 HE2 PHE A 82 77.438 -10.218 4.857 1.00 0.00 H new ATOM 0 HZ PHE A 82 77.637 -11.405 2.689 1.00 0.00 H new ATOM 1016 N LYS A 83 76.878 -5.388 0.450 1.00 0.00 N ATOM 1017 CA LYS A 83 76.182 -5.877 -0.732 1.00 0.00 C ATOM 1018 C LYS A 83 77.132 -6.016 -1.913 1.00 0.00 C ATOM 1019 O LYS A 83 78.228 -5.456 -1.923 1.00 0.00 O ATOM 1020 CB LYS A 83 75.009 -4.960 -1.096 1.00 0.00 C ATOM 1021 CG LYS A 83 73.911 -5.076 -0.034 1.00 0.00 C ATOM 1022 CD LYS A 83 72.745 -4.158 -0.410 1.00 0.00 C ATOM 1023 CE LYS A 83 71.631 -4.283 0.633 1.00 0.00 C ATOM 1024 NZ LYS A 83 70.502 -3.382 0.263 1.00 0.00 N ATOM 0 H LYS A 83 77.508 -4.605 0.277 1.00 0.00 H new ATOM 0 HA LYS A 83 75.787 -6.865 -0.495 1.00 0.00 H new ATOM 0 HB2 LYS A 83 75.351 -3.928 -1.167 1.00 0.00 H new ATOM 0 HB3 LYS A 83 74.612 -5.233 -2.074 1.00 0.00 H new ATOM 0 HG2 LYS A 83 73.568 -6.108 0.039 1.00 0.00 H new ATOM 0 HG3 LYS A 83 74.305 -4.801 0.944 1.00 0.00 H new ATOM 0 HD2 LYS A 83 73.087 -3.125 -0.468 1.00 0.00 H new ATOM 0 HD3 LYS A 83 72.364 -4.424 -1.396 1.00 0.00 H new ATOM 0 HE2 LYS A 83 71.284 -5.315 0.689 1.00 0.00 H new ATOM 0 HE3 LYS A 83 72.011 -4.021 1.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 69.745 -3.466 0.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 70.839 -2.399 0.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 70.134 -3.652 -0.671 1.00 0.00 H new ATOM 1038 N ARG A 84 76.706 -6.791 -2.898 1.00 0.00 N ATOM 1039 CA ARG A 84 77.514 -7.031 -4.082 1.00 0.00 C ATOM 1040 C ARG A 84 76.869 -6.371 -5.293 1.00 0.00 C ATOM 1041 O ARG A 84 75.681 -6.573 -5.553 1.00 0.00 O ATOM 1042 CB ARG A 84 77.617 -8.538 -4.327 1.00 0.00 C ATOM 1043 CG ARG A 84 78.102 -9.244 -3.056 1.00 0.00 C ATOM 1044 CD ARG A 84 77.147 -10.392 -2.725 1.00 0.00 C ATOM 1045 NE ARG A 84 75.804 -9.871 -2.486 1.00 0.00 N ATOM 1046 CZ ARG A 84 74.763 -10.685 -2.347 1.00 0.00 C ATOM 1047 NH1 ARG A 84 73.571 -10.190 -2.146 1.00 0.00 N ATOM 1048 NH2 ARG A 84 74.929 -11.977 -2.411 1.00 0.00 N ATOM 0 H ARG A 84 75.803 -7.265 -2.900 1.00 0.00 H new ATOM 0 HA ARG A 84 78.508 -6.610 -3.929 1.00 0.00 H new ATOM 0 HB2 ARG A 84 76.646 -8.934 -4.625 1.00 0.00 H new ATOM 0 HB3 ARG A 84 78.306 -8.735 -5.148 1.00 0.00 H new ATOM 0 HG2 ARG A 84 79.113 -9.626 -3.200 1.00 0.00 H new ATOM 0 HG3 ARG A 84 78.143 -8.538 -2.226 1.00 0.00 H new ATOM 0 HD2 ARG A 84 77.127 -11.108 -3.547 1.00 0.00 H new ATOM 0 HD3 ARG A 84 77.500 -10.927 -1.844 1.00 0.00 H new ATOM 0 HE ARG A 84 75.662 -8.863 -2.425 1.00 0.00 H new ATOM 0 HH11 ARG A 84 73.440 -9.180 -2.096 1.00 0.00 H new ATOM 0 HH12 ARG A 84 72.771 -10.814 -2.039 1.00 0.00 H new ATOM 0 HH21 ARG A 84 75.859 -12.364 -2.568 1.00 0.00 H new ATOM 0 HH22 ARG A 84 74.128 -12.600 -2.304 1.00 0.00 H new ATOM 1062 N VAL A 85 77.652 -5.597 -6.039 1.00 0.00 N ATOM 1063 CA VAL A 85 77.135 -4.930 -7.232 1.00 0.00 C ATOM 1064 C VAL A 85 77.814 -5.500 -8.483 1.00 0.00 C ATOM 1065 O VAL A 85 78.897 -5.052 -8.852 1.00 0.00 O ATOM 1066 CB VAL A 85 77.390 -3.422 -7.146 1.00 0.00 C ATOM 1067 CG1 VAL A 85 76.182 -2.732 -6.512 1.00 0.00 C ATOM 1068 CG2 VAL A 85 78.616 -3.165 -6.277 1.00 0.00 C ATOM 0 H VAL A 85 78.637 -5.417 -5.843 1.00 0.00 H new ATOM 0 HA VAL A 85 76.061 -5.104 -7.295 1.00 0.00 H new ATOM 0 HB VAL A 85 77.555 -3.028 -8.149 1.00 0.00 H new ATOM 0 HG11 VAL A 85 76.366 -1.659 -6.452 1.00 0.00 H new ATOM 0 HG12 VAL A 85 75.297 -2.915 -7.122 1.00 0.00 H new ATOM 0 HG13 VAL A 85 76.021 -3.129 -5.510 1.00 0.00 H new ATOM 0 HG21 VAL A 85 78.799 -2.092 -6.214 1.00 0.00 H new ATOM 0 HG22 VAL A 85 78.443 -3.562 -5.277 1.00 0.00 H new ATOM 0 HG23 VAL A 85 79.484 -3.656 -6.717 1.00 0.00 H new ATOM 1078 N PRO A 86 77.226 -6.487 -9.133 1.00 0.00 N ATOM 1079 CA PRO A 86 77.840 -7.106 -10.340 1.00 0.00 C ATOM 1080 C PRO A 86 77.663 -6.250 -11.588 1.00 0.00 C ATOM 1081 O PRO A 86 76.738 -6.460 -12.373 1.00 0.00 O ATOM 1082 CB PRO A 86 77.104 -8.438 -10.478 1.00 0.00 C ATOM 1083 CG PRO A 86 75.767 -8.226 -9.848 1.00 0.00 C ATOM 1084 CD PRO A 86 75.929 -7.114 -8.806 1.00 0.00 C ATOM 0 HA PRO A 86 78.919 -7.219 -10.235 1.00 0.00 H new ATOM 0 HB2 PRO A 86 77.003 -8.723 -11.525 1.00 0.00 H new ATOM 0 HB3 PRO A 86 77.649 -9.240 -9.980 1.00 0.00 H new ATOM 0 HG2 PRO A 86 75.028 -7.945 -10.599 1.00 0.00 H new ATOM 0 HG3 PRO A 86 75.413 -9.144 -9.379 1.00 0.00 H new ATOM 0 HD2 PRO A 86 75.114 -6.393 -8.865 1.00 0.00 H new ATOM 0 HD3 PRO A 86 75.927 -7.516 -7.793 1.00 0.00 H new ATOM 1092 N GLN A 87 78.562 -5.287 -11.769 1.00 0.00 N ATOM 1093 CA GLN A 87 78.496 -4.413 -12.930 1.00 0.00 C ATOM 1094 C GLN A 87 78.829 -5.180 -14.197 1.00 0.00 C ATOM 1095 O GLN A 87 78.158 -5.027 -15.217 1.00 0.00 O ATOM 1096 CB GLN A 87 79.474 -3.252 -12.775 1.00 0.00 C ATOM 1097 CG GLN A 87 80.894 -3.782 -12.558 1.00 0.00 C ATOM 1098 CD GLN A 87 81.818 -2.642 -12.144 1.00 0.00 C ATOM 1099 OE1 GLN A 87 82.153 -1.785 -12.963 1.00 0.00 O ATOM 1100 NE2 GLN A 87 82.250 -2.575 -10.915 1.00 0.00 N ATOM 0 H GLN A 87 79.336 -5.095 -11.133 1.00 0.00 H new ATOM 0 HA GLN A 87 77.480 -4.026 -13.003 1.00 0.00 H new ATOM 0 HB2 GLN A 87 79.445 -2.622 -13.664 1.00 0.00 H new ATOM 0 HB3 GLN A 87 79.178 -2.628 -11.932 1.00 0.00 H new ATOM 0 HG2 GLN A 87 80.889 -4.555 -11.789 1.00 0.00 H new ATOM 0 HG3 GLN A 87 81.262 -4.245 -13.473 1.00 0.00 H new ATOM 0 HE21 GLN A 87 81.972 -3.285 -10.237 1.00 0.00 H new ATOM 0 HE22 GLN A 87 82.866 -1.813 -10.632 1.00 0.00 H new ATOM 1109 N CYS A 88 79.863 -6.010 -14.132 1.00 0.00 N ATOM 1110 CA CYS A 88 80.257 -6.791 -15.293 1.00 0.00 C ATOM 1111 C CYS A 88 80.953 -8.086 -14.853 1.00 0.00 C ATOM 1112 O CYS A 88 81.850 -8.043 -14.020 1.00 0.00 O ATOM 1113 CB CYS A 88 81.218 -5.970 -16.156 1.00 0.00 C ATOM 1114 SG CYS A 88 81.644 -6.901 -17.648 1.00 0.00 S ATOM 0 H CYS A 88 80.435 -6.157 -13.300 1.00 0.00 H new ATOM 0 HA CYS A 88 79.365 -7.044 -15.867 1.00 0.00 H new ATOM 0 HB2 CYS A 88 80.757 -5.020 -16.427 1.00 0.00 H new ATOM 0 HB3 CYS A 88 82.121 -5.737 -15.591 1.00 0.00 H new ATOM 0 HG CYS A 88 82.458 -6.200 -18.379 1.00 0.00 H new ATOM 1120 N PRO A 89 80.596 -9.226 -15.391 1.00 0.00 N ATOM 1121 CA PRO A 89 81.256 -10.508 -15.006 1.00 0.00 C ATOM 1122 C PRO A 89 82.779 -10.364 -14.958 1.00 0.00 C ATOM 1123 O PRO A 89 83.436 -10.904 -14.066 1.00 0.00 O ATOM 1124 CB PRO A 89 80.848 -11.455 -16.133 1.00 0.00 C ATOM 1125 CG PRO A 89 79.522 -10.956 -16.598 1.00 0.00 C ATOM 1126 CD PRO A 89 79.530 -9.439 -16.386 1.00 0.00 C ATOM 0 HA PRO A 89 80.962 -10.851 -14.014 1.00 0.00 H new ATOM 0 HB2 PRO A 89 81.579 -11.444 -16.941 1.00 0.00 H new ATOM 0 HB3 PRO A 89 80.780 -12.484 -15.779 1.00 0.00 H new ATOM 0 HG2 PRO A 89 79.362 -11.200 -17.648 1.00 0.00 H new ATOM 0 HG3 PRO A 89 78.713 -11.422 -16.036 1.00 0.00 H new ATOM 0 HD2 PRO A 89 79.738 -8.907 -17.314 1.00 0.00 H new ATOM 0 HD3 PRO A 89 78.567 -9.081 -16.022 1.00 0.00 H new ATOM 1134 N SER A 90 83.335 -9.631 -15.918 1.00 0.00 N ATOM 1135 CA SER A 90 84.780 -9.425 -15.967 1.00 0.00 C ATOM 1136 C SER A 90 85.274 -8.693 -14.721 1.00 0.00 C ATOM 1137 O SER A 90 86.297 -9.061 -14.144 1.00 0.00 O ATOM 1138 CB SER A 90 85.154 -8.620 -17.210 1.00 0.00 C ATOM 1139 OG SER A 90 86.565 -8.441 -17.243 1.00 0.00 O ATOM 0 H SER A 90 82.814 -9.174 -16.666 1.00 0.00 H new ATOM 0 HA SER A 90 85.257 -10.404 -16.007 1.00 0.00 H new ATOM 0 HB2 SER A 90 84.820 -9.139 -18.108 1.00 0.00 H new ATOM 0 HB3 SER A 90 84.653 -7.652 -17.196 1.00 0.00 H new ATOM 0 HG SER A 90 86.811 -7.926 -18.040 1.00 0.00 H new ATOM 1145 N GLY A 91 84.547 -7.648 -14.319 1.00 0.00 N ATOM 1146 CA GLY A 91 84.932 -6.866 -13.143 1.00 0.00 C ATOM 1147 C GLY A 91 83.757 -6.669 -12.184 1.00 0.00 C ATOM 1148 O GLY A 91 82.623 -6.410 -12.601 1.00 0.00 O ATOM 0 H GLY A 91 83.698 -7.327 -14.784 1.00 0.00 H new ATOM 0 HA2 GLY A 91 85.746 -7.370 -12.622 1.00 0.00 H new ATOM 0 HA3 GLY A 91 85.310 -5.894 -13.460 1.00 0.00 H new ATOM 1152 N ARG A 92 84.041 -6.785 -10.890 1.00 0.00 N ATOM 1153 CA ARG A 92 83.008 -6.624 -9.876 1.00 0.00 C ATOM 1154 C ARG A 92 83.558 -5.911 -8.643 1.00 0.00 C ATOM 1155 O ARG A 92 84.769 -5.857 -8.429 1.00 0.00 O ATOM 1156 CB ARG A 92 82.461 -7.997 -9.481 1.00 0.00 C ATOM 1157 CG ARG A 92 83.597 -8.857 -8.922 1.00 0.00 C ATOM 1158 CD ARG A 92 83.079 -10.268 -8.640 1.00 0.00 C ATOM 1159 NE ARG A 92 82.693 -10.924 -9.884 1.00 0.00 N ATOM 1160 CZ ARG A 92 82.077 -12.103 -9.877 1.00 0.00 C ATOM 1161 NH1 ARG A 92 81.735 -12.668 -11.003 1.00 0.00 N ATOM 1162 NH2 ARG A 92 81.815 -12.695 -8.744 1.00 0.00 N ATOM 0 H ARG A 92 84.971 -6.988 -10.522 1.00 0.00 H new ATOM 0 HA ARG A 92 82.206 -6.014 -10.292 1.00 0.00 H new ATOM 0 HB2 ARG A 92 81.674 -7.886 -8.735 1.00 0.00 H new ATOM 0 HB3 ARG A 92 82.013 -8.485 -10.347 1.00 0.00 H new ATOM 0 HG2 ARG A 92 84.421 -8.897 -9.634 1.00 0.00 H new ATOM 0 HG3 ARG A 92 83.987 -8.412 -8.007 1.00 0.00 H new ATOM 0 HD2 ARG A 92 83.850 -10.852 -8.137 1.00 0.00 H new ATOM 0 HD3 ARG A 92 82.224 -10.221 -7.965 1.00 0.00 H new ATOM 0 HE ARG A 92 82.899 -10.471 -10.774 1.00 0.00 H new ATOM 0 HH11 ARG A 92 81.940 -12.205 -11.889 1.00 0.00 H new ATOM 0 HH12 ARG A 92 81.263 -13.572 -10.997 1.00 0.00 H new ATOM 0 HH21 ARG A 92 82.083 -12.254 -7.864 1.00 0.00 H new ATOM 0 HH22 ARG A 92 81.343 -13.599 -8.738 1.00 0.00 H new ATOM 1176 N VAL A 93 82.651 -5.352 -7.846 1.00 0.00 N ATOM 1177 CA VAL A 93 83.042 -4.629 -6.639 1.00 0.00 C ATOM 1178 C VAL A 93 82.028 -4.857 -5.517 1.00 0.00 C ATOM 1179 O VAL A 93 80.921 -5.353 -5.753 1.00 0.00 O ATOM 1180 CB VAL A 93 83.163 -3.132 -6.947 1.00 0.00 C ATOM 1181 CG1 VAL A 93 81.801 -2.575 -7.357 1.00 0.00 C ATOM 1182 CG2 VAL A 93 83.660 -2.390 -5.705 1.00 0.00 C ATOM 0 H VAL A 93 81.645 -5.385 -8.013 1.00 0.00 H new ATOM 0 HA VAL A 93 84.009 -5.006 -6.306 1.00 0.00 H new ATOM 0 HB VAL A 93 83.871 -2.993 -7.764 1.00 0.00 H new ATOM 0 HG11 VAL A 93 81.894 -1.511 -7.575 1.00 0.00 H new ATOM 0 HG12 VAL A 93 81.447 -3.098 -8.246 1.00 0.00 H new ATOM 0 HG13 VAL A 93 81.089 -2.719 -6.544 1.00 0.00 H new ATOM 0 HG21 VAL A 93 83.745 -1.326 -5.927 1.00 0.00 H new ATOM 0 HG22 VAL A 93 82.954 -2.535 -4.888 1.00 0.00 H new ATOM 0 HG23 VAL A 93 84.636 -2.779 -5.415 1.00 0.00 H new ATOM 1192 N TYR A 94 82.422 -4.504 -4.293 1.00 0.00 N ATOM 1193 CA TYR A 94 81.551 -4.684 -3.132 1.00 0.00 C ATOM 1194 C TYR A 94 81.192 -3.325 -2.541 1.00 0.00 C ATOM 1195 O TYR A 94 81.961 -2.371 -2.667 1.00 0.00 O ATOM 1196 CB TYR A 94 82.274 -5.522 -2.079 1.00 0.00 C ATOM 1197 CG TYR A 94 82.596 -6.879 -2.657 1.00 0.00 C ATOM 1198 CD1 TYR A 94 83.774 -7.059 -3.392 1.00 0.00 C ATOM 1199 CD2 TYR A 94 81.723 -7.955 -2.458 1.00 0.00 C ATOM 1200 CE1 TYR A 94 84.077 -8.314 -3.931 1.00 0.00 C ATOM 1201 CE2 TYR A 94 82.028 -9.212 -2.997 1.00 0.00 C ATOM 1202 CZ TYR A 94 83.207 -9.390 -3.733 1.00 0.00 C ATOM 1203 OH TYR A 94 83.507 -10.627 -4.265 1.00 0.00 O ATOM 0 H TYR A 94 83.332 -4.095 -4.081 1.00 0.00 H new ATOM 0 HA TYR A 94 80.639 -5.194 -3.442 1.00 0.00 H new ATOM 0 HB2 TYR A 94 83.190 -5.021 -1.765 1.00 0.00 H new ATOM 0 HB3 TYR A 94 81.650 -5.630 -1.192 1.00 0.00 H new ATOM 0 HD1 TYR A 94 84.449 -6.229 -3.543 1.00 0.00 H new ATOM 0 HD2 TYR A 94 80.815 -7.816 -1.890 1.00 0.00 H new ATOM 0 HE1 TYR A 94 84.984 -8.452 -4.501 1.00 0.00 H new ATOM 0 HE2 TYR A 94 81.355 -10.043 -2.845 1.00 0.00 H new ATOM 0 HH TYR A 94 82.799 -11.263 -4.033 1.00 0.00 H new ATOM 1213 N VAL A 95 80.022 -3.235 -1.902 1.00 0.00 N ATOM 1214 CA VAL A 95 79.600 -1.968 -1.307 1.00 0.00 C ATOM 1215 C VAL A 95 79.196 -2.175 0.148 1.00 0.00 C ATOM 1216 O VAL A 95 78.468 -3.113 0.473 1.00 0.00 O ATOM 1217 CB VAL A 95 78.424 -1.384 -2.094 1.00 0.00 C ATOM 1218 CG1 VAL A 95 77.191 -2.259 -1.890 1.00 0.00 C ATOM 1219 CG2 VAL A 95 78.130 0.034 -1.604 1.00 0.00 C ATOM 0 H VAL A 95 79.365 -4.006 -1.786 1.00 0.00 H new ATOM 0 HA VAL A 95 80.437 -1.270 -1.345 1.00 0.00 H new ATOM 0 HB VAL A 95 78.678 -1.354 -3.154 1.00 0.00 H new ATOM 0 HG11 VAL A 95 76.353 -1.844 -2.450 1.00 0.00 H new ATOM 0 HG12 VAL A 95 77.399 -3.269 -2.244 1.00 0.00 H new ATOM 0 HG13 VAL A 95 76.939 -2.291 -0.830 1.00 0.00 H new ATOM 0 HG21 VAL A 95 77.292 0.447 -2.166 1.00 0.00 H new ATOM 0 HG22 VAL A 95 77.878 0.008 -0.544 1.00 0.00 H new ATOM 0 HG23 VAL A 95 79.010 0.660 -1.752 1.00 0.00 H new ATOM 1229 N LEU A 96 79.680 -1.293 1.018 1.00 0.00 N ATOM 1230 CA LEU A 96 79.371 -1.382 2.441 1.00 0.00 C ATOM 1231 C LEU A 96 78.463 -0.229 2.849 1.00 0.00 C ATOM 1232 O LEU A 96 78.802 0.938 2.653 1.00 0.00 O ATOM 1233 CB LEU A 96 80.668 -1.337 3.261 1.00 0.00 C ATOM 1234 CG LEU A 96 80.360 -1.472 4.760 1.00 0.00 C ATOM 1235 CD1 LEU A 96 79.703 -2.825 5.038 1.00 0.00 C ATOM 1236 CD2 LEU A 96 81.663 -1.378 5.556 1.00 0.00 C ATOM 0 H LEU A 96 80.285 -0.512 0.764 1.00 0.00 H new ATOM 0 HA LEU A 96 78.859 -2.325 2.634 1.00 0.00 H new ATOM 0 HB2 LEU A 96 81.333 -2.141 2.946 1.00 0.00 H new ATOM 0 HB3 LEU A 96 81.191 -0.399 3.074 1.00 0.00 H new ATOM 0 HG LEU A 96 79.682 -0.672 5.058 1.00 0.00 H new ATOM 0 HD11 LEU A 96 79.488 -2.913 6.103 1.00 0.00 H new ATOM 0 HD12 LEU A 96 78.774 -2.902 4.473 1.00 0.00 H new ATOM 0 HD13 LEU A 96 80.378 -3.626 4.737 1.00 0.00 H new ATOM 0 HD21 LEU A 96 81.447 -1.474 6.620 1.00 0.00 H new ATOM 0 HD22 LEU A 96 82.336 -2.179 5.249 1.00 0.00 H new ATOM 0 HD23 LEU A 96 82.136 -0.414 5.367 1.00 0.00 H new ATOM 1248 N LYS A 97 77.310 -0.565 3.421 1.00 0.00 N ATOM 1249 CA LYS A 97 76.363 0.446 3.859 1.00 0.00 C ATOM 1250 C LYS A 97 76.310 0.460 5.378 1.00 0.00 C ATOM 1251 O LYS A 97 75.993 -0.550 6.008 1.00 0.00 O ATOM 1252 CB LYS A 97 74.979 0.136 3.291 1.00 0.00 C ATOM 1253 CG LYS A 97 74.040 1.305 3.575 1.00 0.00 C ATOM 1254 CD LYS A 97 72.680 1.025 2.937 1.00 0.00 C ATOM 1255 CE LYS A 97 71.787 2.261 3.074 1.00 0.00 C ATOM 1256 NZ LYS A 97 71.551 2.546 4.517 1.00 0.00 N ATOM 0 H LYS A 97 77.013 -1.526 3.590 1.00 0.00 H new ATOM 0 HA LYS A 97 76.681 1.425 3.500 1.00 0.00 H new ATOM 0 HB2 LYS A 97 75.045 -0.039 2.217 1.00 0.00 H new ATOM 0 HB3 LYS A 97 74.586 -0.777 3.739 1.00 0.00 H new ATOM 0 HG2 LYS A 97 73.929 1.444 4.650 1.00 0.00 H new ATOM 0 HG3 LYS A 97 74.459 2.229 3.176 1.00 0.00 H new ATOM 0 HD2 LYS A 97 72.806 0.769 1.885 1.00 0.00 H new ATOM 0 HD3 LYS A 97 72.210 0.168 3.419 1.00 0.00 H new ATOM 0 HE2 LYS A 97 72.259 3.119 2.595 1.00 0.00 H new ATOM 0 HE3 LYS A 97 70.837 2.095 2.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 70.839 3.298 4.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 71.209 1.685 4.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 72.440 2.854 4.960 1.00 0.00 H new ATOM 1270 N PHE A 98 76.628 1.605 5.961 1.00 0.00 N ATOM 1271 CA PHE A 98 76.618 1.727 7.407 1.00 0.00 C ATOM 1272 C PHE A 98 75.213 2.058 7.884 1.00 0.00 C ATOM 1273 O PHE A 98 74.596 3.008 7.409 1.00 0.00 O ATOM 1274 CB PHE A 98 77.586 2.828 7.839 1.00 0.00 C ATOM 1275 CG PHE A 98 79.005 2.400 7.543 1.00 0.00 C ATOM 1276 CD1 PHE A 98 79.571 2.678 6.292 1.00 0.00 C ATOM 1277 CD2 PHE A 98 79.755 1.735 8.518 1.00 0.00 C ATOM 1278 CE1 PHE A 98 80.887 2.289 6.017 1.00 0.00 C ATOM 1279 CE2 PHE A 98 81.072 1.345 8.243 1.00 0.00 C ATOM 1280 CZ PHE A 98 81.639 1.622 6.993 1.00 0.00 C ATOM 0 H PHE A 98 76.893 2.453 5.461 1.00 0.00 H new ATOM 0 HA PHE A 98 76.932 0.782 7.850 1.00 0.00 H new ATOM 0 HB2 PHE A 98 77.357 3.754 7.312 1.00 0.00 H new ATOM 0 HB3 PHE A 98 77.471 3.030 8.904 1.00 0.00 H new ATOM 0 HD1 PHE A 98 78.992 3.193 5.540 1.00 0.00 H new ATOM 0 HD2 PHE A 98 79.319 1.522 9.483 1.00 0.00 H new ATOM 0 HE1 PHE A 98 81.323 2.503 5.052 1.00 0.00 H new ATOM 0 HE2 PHE A 98 81.651 0.830 8.996 1.00 0.00 H new ATOM 0 HZ PHE A 98 82.655 1.322 6.782 1.00 0.00 H new ATOM 1290 N LYS A 99 74.710 1.266 8.820 1.00 0.00 N ATOM 1291 CA LYS A 99 73.371 1.491 9.340 1.00 0.00 C ATOM 1292 C LYS A 99 73.343 2.758 10.189 1.00 0.00 C ATOM 1293 O LYS A 99 72.297 3.387 10.351 1.00 0.00 O ATOM 1294 CB LYS A 99 72.922 0.288 10.175 1.00 0.00 C ATOM 1295 CG LYS A 99 72.902 -0.966 9.287 1.00 0.00 C ATOM 1296 CD LYS A 99 72.352 -2.167 10.070 1.00 0.00 C ATOM 1297 CE LYS A 99 70.818 -2.151 10.064 1.00 0.00 C ATOM 1298 NZ LYS A 99 70.307 -3.337 10.806 1.00 0.00 N ATOM 0 H LYS A 99 75.202 0.472 9.230 1.00 0.00 H new ATOM 0 HA LYS A 99 72.685 1.614 8.502 1.00 0.00 H new ATOM 0 HB2 LYS A 99 73.599 0.141 11.016 1.00 0.00 H new ATOM 0 HB3 LYS A 99 71.931 0.469 10.591 1.00 0.00 H new ATOM 0 HG2 LYS A 99 72.287 -0.786 8.406 1.00 0.00 H new ATOM 0 HG3 LYS A 99 73.909 -1.185 8.933 1.00 0.00 H new ATOM 0 HD2 LYS A 99 72.714 -3.095 9.627 1.00 0.00 H new ATOM 0 HD3 LYS A 99 72.718 -2.139 11.096 1.00 0.00 H new ATOM 0 HE2 LYS A 99 70.451 -1.234 10.525 1.00 0.00 H new ATOM 0 HE3 LYS A 99 70.447 -2.162 9.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 69.267 -3.327 10.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 70.646 -4.206 10.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 70.650 -3.307 11.787 1.00 0.00 H new ATOM 1312 N ALA A 100 74.503 3.125 10.731 1.00 0.00 N ATOM 1313 CA ALA A 100 74.603 4.321 11.562 1.00 0.00 C ATOM 1314 C ALA A 100 74.990 5.542 10.728 1.00 0.00 C ATOM 1315 O ALA A 100 74.677 6.675 11.094 1.00 0.00 O ATOM 1316 CB ALA A 100 75.643 4.101 12.662 1.00 0.00 C ATOM 0 H ALA A 100 75.379 2.616 10.611 1.00 0.00 H new ATOM 0 HA ALA A 100 73.626 4.507 12.009 1.00 0.00 H new ATOM 0 HB1 ALA A 100 75.714 4.996 13.280 1.00 0.00 H new ATOM 0 HB2 ALA A 100 75.344 3.256 13.282 1.00 0.00 H new ATOM 0 HB3 ALA A 100 76.613 3.894 12.210 1.00 0.00 H new ATOM 1322 N GLY A 101 75.675 5.309 9.611 1.00 0.00 N ATOM 1323 CA GLY A 101 76.097 6.407 8.745 1.00 0.00 C ATOM 1324 C GLY A 101 75.205 6.515 7.513 1.00 0.00 C ATOM 1325 O GLY A 101 75.166 7.552 6.851 1.00 0.00 O ATOM 0 H GLY A 101 75.947 4.381 9.287 1.00 0.00 H new ATOM 0 HA2 GLY A 101 76.067 7.344 9.301 1.00 0.00 H new ATOM 0 HA3 GLY A 101 77.131 6.252 8.436 1.00 0.00 H new ATOM 1329 N SER A 102 74.493 5.435 7.209 1.00 0.00 N ATOM 1330 CA SER A 102 73.606 5.413 6.050 1.00 0.00 C ATOM 1331 C SER A 102 74.382 5.675 4.763 1.00 0.00 C ATOM 1332 O SER A 102 73.809 5.684 3.674 1.00 0.00 O ATOM 1333 CB SER A 102 72.515 6.466 6.209 1.00 0.00 C ATOM 1334 OG SER A 102 73.026 7.736 5.822 1.00 0.00 O ATOM 0 H SER A 102 74.512 4.568 7.745 1.00 0.00 H new ATOM 0 HA SER A 102 73.154 4.423 5.988 1.00 0.00 H new ATOM 0 HB2 SER A 102 71.652 6.207 5.596 1.00 0.00 H new ATOM 0 HB3 SER A 102 72.173 6.499 7.244 1.00 0.00 H new ATOM 0 HG SER A 102 73.739 8.003 6.439 1.00 0.00 H new ATOM 1340 N LYS A 103 75.687 5.886 4.895 1.00 0.00 N ATOM 1341 CA LYS A 103 76.533 6.145 3.735 1.00 0.00 C ATOM 1342 C LYS A 103 76.914 4.837 3.051 1.00 0.00 C ATOM 1343 O LYS A 103 76.808 3.764 3.645 1.00 0.00 O ATOM 1344 CB LYS A 103 77.808 6.874 4.161 1.00 0.00 C ATOM 1345 CG LYS A 103 78.436 6.148 5.357 1.00 0.00 C ATOM 1346 CD LYS A 103 79.905 5.813 5.066 1.00 0.00 C ATOM 1347 CE LYS A 103 80.737 7.097 5.056 1.00 0.00 C ATOM 1348 NZ LYS A 103 81.960 6.888 4.229 1.00 0.00 N ATOM 0 H LYS A 103 76.180 5.883 5.788 1.00 0.00 H new ATOM 0 HA LYS A 103 75.972 6.768 3.039 1.00 0.00 H new ATOM 0 HB2 LYS A 103 78.514 6.909 3.331 1.00 0.00 H new ATOM 0 HB3 LYS A 103 77.578 7.906 4.428 1.00 0.00 H new ATOM 0 HG2 LYS A 103 78.368 6.773 6.247 1.00 0.00 H new ATOM 0 HG3 LYS A 103 77.882 5.233 5.567 1.00 0.00 H new ATOM 0 HD2 LYS A 103 80.288 5.127 5.821 1.00 0.00 H new ATOM 0 HD3 LYS A 103 79.989 5.307 4.104 1.00 0.00 H new ATOM 0 HE2 LYS A 103 80.149 7.922 4.653 1.00 0.00 H new ATOM 0 HE3 LYS A 103 81.015 7.371 6.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 82.527 7.760 4.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 82.523 6.112 4.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 81.684 6.646 3.256 1.00 0.00 H new ATOM 1362 N ARG A 104 77.364 4.937 1.802 1.00 0.00 N ATOM 1363 CA ARG A 104 77.769 3.758 1.043 1.00 0.00 C ATOM 1364 C ARG A 104 79.236 3.872 0.634 1.00 0.00 C ATOM 1365 O ARG A 104 79.647 4.868 0.039 1.00 0.00 O ATOM 1366 CB ARG A 104 76.899 3.619 -0.207 1.00 0.00 C ATOM 1367 CG ARG A 104 76.601 5.006 -0.782 1.00 0.00 C ATOM 1368 CD ARG A 104 75.254 5.501 -0.257 1.00 0.00 C ATOM 1369 NE ARG A 104 74.164 4.865 -0.988 1.00 0.00 N ATOM 1370 CZ ARG A 104 72.895 5.086 -0.661 1.00 0.00 C ATOM 1371 NH1 ARG A 104 71.939 4.503 -1.332 1.00 0.00 N ATOM 1372 NH2 ARG A 104 72.604 5.885 0.329 1.00 0.00 N ATOM 0 H ARG A 104 77.457 5.818 1.297 1.00 0.00 H new ATOM 0 HA ARG A 104 77.642 2.877 1.672 1.00 0.00 H new ATOM 0 HB2 ARG A 104 77.409 3.008 -0.951 1.00 0.00 H new ATOM 0 HB3 ARG A 104 75.968 3.109 0.040 1.00 0.00 H new ATOM 0 HG2 ARG A 104 77.390 5.704 -0.502 1.00 0.00 H new ATOM 0 HG3 ARG A 104 76.585 4.963 -1.871 1.00 0.00 H new ATOM 0 HD2 ARG A 104 75.166 5.279 0.807 1.00 0.00 H new ATOM 0 HD3 ARG A 104 75.190 6.584 -0.363 1.00 0.00 H new ATOM 0 HE ARG A 104 74.380 4.239 -1.764 1.00 0.00 H new ATOM 0 HH11 ARG A 104 72.167 3.879 -2.106 1.00 0.00 H new ATOM 0 HH12 ARG A 104 70.965 4.672 -1.082 1.00 0.00 H new ATOM 0 HH21 ARG A 104 73.351 6.341 0.853 1.00 0.00 H new ATOM 0 HH22 ARG A 104 71.630 6.054 0.579 1.00 0.00 H new ATOM 1386 N LEU A 105 80.015 2.845 0.959 1.00 0.00 N ATOM 1387 CA LEU A 105 81.438 2.828 0.624 1.00 0.00 C ATOM 1388 C LEU A 105 81.715 1.734 -0.399 1.00 0.00 C ATOM 1389 O LEU A 105 81.302 0.590 -0.216 1.00 0.00 O ATOM 1390 CB LEU A 105 82.272 2.576 1.889 1.00 0.00 C ATOM 1391 CG LEU A 105 83.770 2.553 1.548 1.00 0.00 C ATOM 1392 CD1 LEU A 105 84.196 3.906 0.980 1.00 0.00 C ATOM 1393 CD2 LEU A 105 84.572 2.266 2.818 1.00 0.00 C ATOM 0 H LEU A 105 79.688 2.015 1.453 1.00 0.00 H new ATOM 0 HA LEU A 105 81.714 3.794 0.201 1.00 0.00 H new ATOM 0 HB2 LEU A 105 82.072 3.355 2.625 1.00 0.00 H new ATOM 0 HB3 LEU A 105 81.981 1.628 2.341 1.00 0.00 H new ATOM 0 HG LEU A 105 83.957 1.776 0.806 1.00 0.00 H new ATOM 0 HD11 LEU A 105 85.259 3.882 0.741 1.00 0.00 H new ATOM 0 HD12 LEU A 105 83.625 4.117 0.076 1.00 0.00 H new ATOM 0 HD13 LEU A 105 84.008 4.686 1.718 1.00 0.00 H new ATOM 0 HD21 LEU A 105 85.636 2.249 2.581 1.00 0.00 H new ATOM 0 HD22 LEU A 105 84.377 3.045 3.555 1.00 0.00 H new ATOM 0 HD23 LEU A 105 84.275 1.299 3.225 1.00 0.00 H new ATOM 1405 N PHE A 106 82.416 2.091 -1.469 1.00 0.00 N ATOM 1406 CA PHE A 106 82.744 1.125 -2.513 1.00 0.00 C ATOM 1407 C PHE A 106 84.234 0.810 -2.501 1.00 0.00 C ATOM 1408 O PHE A 106 85.070 1.712 -2.575 1.00 0.00 O ATOM 1409 CB PHE A 106 82.358 1.685 -3.882 1.00 0.00 C ATOM 1410 CG PHE A 106 80.856 1.794 -3.979 1.00 0.00 C ATOM 1411 CD1 PHE A 106 80.208 2.960 -3.551 1.00 0.00 C ATOM 1412 CD2 PHE A 106 80.111 0.730 -4.498 1.00 0.00 C ATOM 1413 CE1 PHE A 106 78.815 3.058 -3.642 1.00 0.00 C ATOM 1414 CE2 PHE A 106 78.718 0.828 -4.589 1.00 0.00 C ATOM 1415 CZ PHE A 106 78.069 1.993 -4.162 1.00 0.00 C ATOM 0 H PHE A 106 82.766 3.034 -1.637 1.00 0.00 H new ATOM 0 HA PHE A 106 82.185 0.209 -2.321 1.00 0.00 H new ATOM 0 HB2 PHE A 106 82.814 2.664 -4.027 1.00 0.00 H new ATOM 0 HB3 PHE A 106 82.737 1.036 -4.672 1.00 0.00 H new ATOM 0 HD1 PHE A 106 80.783 3.782 -3.151 1.00 0.00 H new ATOM 0 HD2 PHE A 106 80.611 -0.168 -4.829 1.00 0.00 H new ATOM 0 HE1 PHE A 106 78.315 3.956 -3.311 1.00 0.00 H new ATOM 0 HE2 PHE A 106 78.144 0.005 -4.988 1.00 0.00 H new ATOM 0 HZ PHE A 106 76.994 2.070 -4.234 1.00 0.00 H new ATOM 1425 N PHE A 107 84.564 -0.475 -2.411 1.00 0.00 N ATOM 1426 CA PHE A 107 85.961 -0.886 -2.397 1.00 0.00 C ATOM 1427 C PHE A 107 86.092 -2.330 -2.871 1.00 0.00 C ATOM 1428 O PHE A 107 85.095 -3.048 -2.998 1.00 0.00 O ATOM 1429 CB PHE A 107 86.547 -0.752 -0.988 1.00 0.00 C ATOM 1430 CG PHE A 107 86.130 -1.935 -0.151 1.00 0.00 C ATOM 1431 CD1 PHE A 107 87.028 -2.991 0.048 1.00 0.00 C ATOM 1432 CD2 PHE A 107 84.854 -1.982 0.419 1.00 0.00 C ATOM 1433 CE1 PHE A 107 86.649 -4.095 0.820 1.00 0.00 C ATOM 1434 CE2 PHE A 107 84.474 -3.086 1.192 1.00 0.00 C ATOM 1435 CZ PHE A 107 85.372 -4.143 1.391 1.00 0.00 C ATOM 0 H PHE A 107 83.892 -1.240 -2.348 1.00 0.00 H new ATOM 0 HA PHE A 107 86.515 -0.235 -3.073 1.00 0.00 H new ATOM 0 HB2 PHE A 107 87.634 -0.696 -1.039 1.00 0.00 H new ATOM 0 HB3 PHE A 107 86.201 0.173 -0.526 1.00 0.00 H new ATOM 0 HD1 PHE A 107 88.013 -2.953 -0.394 1.00 0.00 H new ATOM 0 HD2 PHE A 107 84.162 -1.167 0.263 1.00 0.00 H new ATOM 0 HE1 PHE A 107 87.341 -4.909 0.975 1.00 0.00 H new ATOM 0 HE2 PHE A 107 83.489 -3.123 1.634 1.00 0.00 H new ATOM 0 HZ PHE A 107 85.079 -4.996 1.986 1.00 0.00 H new ATOM 1445 N TRP A 108 87.325 -2.745 -3.131 1.00 0.00 N ATOM 1446 CA TRP A 108 87.586 -4.100 -3.592 1.00 0.00 C ATOM 1447 C TRP A 108 88.934 -4.601 -3.085 1.00 0.00 C ATOM 1448 O TRP A 108 89.823 -3.815 -2.753 1.00 0.00 O ATOM 1449 CB TRP A 108 87.531 -4.138 -5.125 1.00 0.00 C ATOM 1450 CG TRP A 108 88.357 -3.020 -5.684 1.00 0.00 C ATOM 1451 CD1 TRP A 108 88.037 -1.710 -5.573 1.00 0.00 C ATOM 1452 CD2 TRP A 108 89.596 -3.076 -6.458 1.00 0.00 C ATOM 1453 NE1 TRP A 108 89.008 -0.956 -6.205 1.00 0.00 N ATOM 1454 CE2 TRP A 108 89.987 -1.749 -6.767 1.00 0.00 C ATOM 1455 CE3 TRP A 108 90.416 -4.128 -6.914 1.00 0.00 C ATOM 1456 CZ2 TRP A 108 91.145 -1.476 -7.495 1.00 0.00 C ATOM 1457 CZ3 TRP A 108 91.583 -3.854 -7.654 1.00 0.00 C ATOM 1458 CH2 TRP A 108 91.944 -2.531 -7.941 1.00 0.00 C ATOM 0 H TRP A 108 88.157 -2.164 -3.031 1.00 0.00 H new ATOM 0 HA TRP A 108 86.819 -4.763 -3.191 1.00 0.00 H new ATOM 0 HB2 TRP A 108 87.903 -5.096 -5.489 1.00 0.00 H new ATOM 0 HB3 TRP A 108 86.499 -4.047 -5.465 1.00 0.00 H new ATOM 0 HD1 TRP A 108 87.165 -1.317 -5.072 1.00 0.00 H new ATOM 0 HE1 TRP A 108 89.001 0.063 -6.250 1.00 0.00 H new ATOM 0 HE3 TRP A 108 90.148 -5.151 -6.695 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 91.422 -0.455 -7.712 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 92.202 -4.668 -8.002 1.00 0.00 H new ATOM 0 HH2 TRP A 108 92.841 -2.327 -8.507 1.00 0.00 H new ATOM 1469 N MET A 109 89.068 -5.922 -3.019 1.00 0.00 N ATOM 1470 CA MET A 109 90.295 -6.552 -2.542 1.00 0.00 C ATOM 1471 C MET A 109 91.434 -6.342 -3.532 1.00 0.00 C ATOM 1472 O MET A 109 91.957 -7.298 -4.107 1.00 0.00 O ATOM 1473 CB MET A 109 90.074 -8.046 -2.300 1.00 0.00 C ATOM 1474 CG MET A 109 88.735 -8.247 -1.587 1.00 0.00 C ATOM 1475 SD MET A 109 88.931 -9.480 -0.277 1.00 0.00 S ATOM 1476 CE MET A 109 89.614 -8.362 0.974 1.00 0.00 C ATOM 0 H MET A 109 88.338 -6.580 -3.291 1.00 0.00 H new ATOM 0 HA MET A 109 90.569 -6.082 -1.598 1.00 0.00 H new ATOM 0 HB2 MET A 109 90.080 -8.585 -3.247 1.00 0.00 H new ATOM 0 HB3 MET A 109 90.886 -8.453 -1.697 1.00 0.00 H new ATOM 0 HG2 MET A 109 88.390 -7.303 -1.165 1.00 0.00 H new ATOM 0 HG3 MET A 109 87.977 -8.574 -2.299 1.00 0.00 H new ATOM 0 HE1 MET A 109 89.816 -8.919 1.889 1.00 0.00 H new ATOM 0 HE2 MET A 109 90.541 -7.924 0.603 1.00 0.00 H new ATOM 0 HE3 MET A 109 88.896 -7.569 1.184 1.00 0.00 H new ATOM 1486 N GLN A 110 91.805 -5.082 -3.739 1.00 0.00 N ATOM 1487 CA GLN A 110 92.871 -4.758 -4.680 1.00 0.00 C ATOM 1488 C GLN A 110 94.186 -5.366 -4.216 1.00 0.00 C ATOM 1489 O GLN A 110 95.178 -5.363 -4.946 1.00 0.00 O ATOM 1490 CB GLN A 110 93.023 -3.241 -4.796 1.00 0.00 C ATOM 1491 CG GLN A 110 94.158 -2.913 -5.769 1.00 0.00 C ATOM 1492 CD GLN A 110 95.475 -2.765 -5.010 1.00 0.00 C ATOM 1493 OE1 GLN A 110 96.488 -3.341 -5.406 1.00 0.00 O ATOM 1494 NE2 GLN A 110 95.522 -2.020 -3.939 1.00 0.00 N ATOM 0 H GLN A 110 91.388 -4.276 -3.273 1.00 0.00 H new ATOM 0 HA GLN A 110 92.611 -5.171 -5.655 1.00 0.00 H new ATOM 0 HB2 GLN A 110 92.091 -2.797 -5.146 1.00 0.00 H new ATOM 0 HB3 GLN A 110 93.233 -2.810 -3.817 1.00 0.00 H new ATOM 0 HG2 GLN A 110 94.247 -3.702 -6.516 1.00 0.00 H new ATOM 0 HG3 GLN A 110 93.933 -1.991 -6.305 1.00 0.00 H new ATOM 0 HE21 GLN A 110 94.682 -1.543 -3.612 1.00 0.00 H new ATOM 0 HE22 GLN A 110 96.399 -1.915 -3.429 1.00 0.00 H new ATOM 1503 N GLU A 111 94.185 -5.892 -3.001 1.00 0.00 N ATOM 1504 CA GLU A 111 95.382 -6.511 -2.451 1.00 0.00 C ATOM 1505 C GLU A 111 95.820 -7.693 -3.340 1.00 0.00 C ATOM 1506 O GLU A 111 94.996 -8.548 -3.664 1.00 0.00 O ATOM 1507 CB GLU A 111 95.092 -7.022 -1.040 1.00 0.00 C ATOM 1508 CG GLU A 111 96.399 -7.515 -0.411 1.00 0.00 C ATOM 1509 CD GLU A 111 96.161 -7.995 1.015 1.00 0.00 C ATOM 1510 OE1 GLU A 111 95.022 -7.973 1.448 1.00 0.00 O ATOM 1511 OE2 GLU A 111 97.128 -8.377 1.656 1.00 0.00 O ATOM 0 H GLU A 111 93.375 -5.903 -2.381 1.00 0.00 H new ATOM 0 HA GLU A 111 96.181 -5.770 -2.417 1.00 0.00 H new ATOM 0 HB2 GLU A 111 94.658 -6.227 -0.433 1.00 0.00 H new ATOM 0 HB3 GLU A 111 94.362 -7.831 -1.075 1.00 0.00 H new ATOM 0 HG2 GLU A 111 96.813 -8.327 -1.009 1.00 0.00 H new ATOM 0 HG3 GLU A 111 97.135 -6.711 -0.412 1.00 0.00 H new ATOM 1518 N PRO A 112 97.075 -7.779 -3.739 1.00 0.00 N ATOM 1519 CA PRO A 112 97.556 -8.907 -4.600 1.00 0.00 C ATOM 1520 C PRO A 112 97.109 -10.278 -4.096 1.00 0.00 C ATOM 1521 O PRO A 112 96.973 -11.219 -4.877 1.00 0.00 O ATOM 1522 CB PRO A 112 99.076 -8.799 -4.512 1.00 0.00 C ATOM 1523 CG PRO A 112 99.355 -7.364 -4.247 1.00 0.00 C ATOM 1524 CD PRO A 112 98.171 -6.828 -3.445 1.00 0.00 C ATOM 0 HA PRO A 112 97.155 -8.829 -5.610 1.00 0.00 H new ATOM 0 HB2 PRO A 112 99.469 -9.429 -3.714 1.00 0.00 H new ATOM 0 HB3 PRO A 112 99.547 -9.126 -5.439 1.00 0.00 H new ATOM 0 HG2 PRO A 112 100.285 -7.247 -3.690 1.00 0.00 H new ATOM 0 HG3 PRO A 112 99.471 -6.813 -5.181 1.00 0.00 H new ATOM 0 HD2 PRO A 112 98.394 -6.795 -2.379 1.00 0.00 H new ATOM 0 HD3 PRO A 112 97.911 -5.814 -3.748 1.00 0.00 H new ATOM 1532 N LYS A 113 96.896 -10.392 -2.790 1.00 0.00 N ATOM 1533 CA LYS A 113 96.477 -11.662 -2.206 1.00 0.00 C ATOM 1534 C LYS A 113 95.028 -11.970 -2.581 1.00 0.00 C ATOM 1535 O LYS A 113 94.205 -12.293 -1.728 1.00 0.00 O ATOM 1536 CB LYS A 113 96.615 -11.598 -0.684 1.00 0.00 C ATOM 1537 CG LYS A 113 98.077 -11.829 -0.292 1.00 0.00 C ATOM 1538 CD LYS A 113 98.315 -13.320 -0.048 1.00 0.00 C ATOM 1539 CE LYS A 113 99.818 -13.590 0.050 1.00 0.00 C ATOM 1540 NZ LYS A 113 100.345 -13.945 -1.298 1.00 0.00 N ATOM 0 H LYS A 113 97.005 -9.630 -2.121 1.00 0.00 H new ATOM 0 HA LYS A 113 97.114 -12.455 -2.596 1.00 0.00 H new ATOM 0 HB2 LYS A 113 96.279 -10.628 -0.318 1.00 0.00 H new ATOM 0 HB3 LYS A 113 95.980 -12.352 -0.219 1.00 0.00 H new ATOM 0 HG2 LYS A 113 98.737 -11.470 -1.082 1.00 0.00 H new ATOM 0 HG3 LYS A 113 98.317 -11.261 0.607 1.00 0.00 H new ATOM 0 HD2 LYS A 113 97.818 -13.632 0.871 1.00 0.00 H new ATOM 0 HD3 LYS A 113 97.882 -13.905 -0.859 1.00 0.00 H new ATOM 0 HE2 LYS A 113 100.333 -12.709 0.434 1.00 0.00 H new ATOM 0 HE3 LYS A 113 100.008 -14.402 0.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 101.367 -14.129 -1.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 99.861 -14.797 -1.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 100.176 -13.157 -1.955 1.00 0.00 H new ATOM 1554 N THR A 114 94.730 -11.874 -3.870 1.00 0.00 N ATOM 1555 CA THR A 114 93.385 -12.144 -4.358 1.00 0.00 C ATOM 1556 C THR A 114 93.033 -13.614 -4.141 1.00 0.00 C ATOM 1557 O THR A 114 91.891 -13.953 -3.837 1.00 0.00 O ATOM 1558 CB THR A 114 93.286 -11.794 -5.849 1.00 0.00 C ATOM 1559 OG1 THR A 114 93.696 -10.449 -6.035 1.00 0.00 O ATOM 1560 CG2 THR A 114 91.832 -11.925 -6.322 1.00 0.00 C ATOM 0 H THR A 114 95.399 -11.612 -4.594 1.00 0.00 H new ATOM 0 HA THR A 114 92.679 -11.527 -3.803 1.00 0.00 H new ATOM 0 HB THR A 114 93.921 -12.473 -6.418 1.00 0.00 H new ATOM 0 HG1 THR A 114 93.637 -10.218 -6.985 1.00 0.00 H new ATOM 0 HG21 THR A 114 91.770 -11.675 -7.381 1.00 0.00 H new ATOM 0 HG22 THR A 114 91.491 -12.949 -6.170 1.00 0.00 H new ATOM 0 HG23 THR A 114 91.201 -11.244 -5.751 1.00 0.00 H new ATOM 1568 N ASP A 115 94.024 -14.485 -4.324 1.00 0.00 N ATOM 1569 CA ASP A 115 93.814 -15.924 -4.173 1.00 0.00 C ATOM 1570 C ASP A 115 93.255 -16.260 -2.794 1.00 0.00 C ATOM 1571 O ASP A 115 92.712 -17.346 -2.587 1.00 0.00 O ATOM 1572 CB ASP A 115 95.138 -16.665 -4.375 1.00 0.00 C ATOM 1573 CG ASP A 115 96.158 -16.194 -3.343 1.00 0.00 C ATOM 1574 OD1 ASP A 115 95.846 -15.267 -2.612 1.00 0.00 O ATOM 1575 OD2 ASP A 115 97.234 -16.767 -3.295 1.00 0.00 O ATOM 0 H ASP A 115 94.976 -14.221 -4.576 1.00 0.00 H new ATOM 0 HA ASP A 115 93.091 -16.239 -4.926 1.00 0.00 H new ATOM 0 HB2 ASP A 115 94.982 -17.740 -4.281 1.00 0.00 H new ATOM 0 HB3 ASP A 115 95.516 -16.485 -5.381 1.00 0.00 H new ATOM 1580 N GLN A 116 93.383 -15.324 -1.859 1.00 0.00 N ATOM 1581 CA GLN A 116 92.880 -15.528 -0.508 1.00 0.00 C ATOM 1582 C GLN A 116 91.830 -14.479 -0.193 1.00 0.00 C ATOM 1583 O GLN A 116 91.567 -14.175 0.969 1.00 0.00 O ATOM 1584 CB GLN A 116 94.026 -15.435 0.500 1.00 0.00 C ATOM 1585 CG GLN A 116 94.990 -16.600 0.281 1.00 0.00 C ATOM 1586 CD GLN A 116 96.159 -16.497 1.251 1.00 0.00 C ATOM 1587 OE1 GLN A 116 96.043 -16.904 2.407 1.00 0.00 O ATOM 1588 NE2 GLN A 116 97.280 -15.963 0.853 1.00 0.00 N ATOM 0 H GLN A 116 93.830 -14.420 -2.013 1.00 0.00 H new ATOM 0 HA GLN A 116 92.432 -16.519 -0.440 1.00 0.00 H new ATOM 0 HB2 GLN A 116 94.551 -14.487 0.384 1.00 0.00 H new ATOM 0 HB3 GLN A 116 93.634 -15.459 1.517 1.00 0.00 H new ATOM 0 HG2 GLN A 116 94.469 -17.546 0.426 1.00 0.00 H new ATOM 0 HG3 GLN A 116 95.357 -16.592 -0.746 1.00 0.00 H new ATOM 0 HE21 GLN A 116 97.373 -15.627 -0.106 1.00 0.00 H new ATOM 0 HE22 GLN A 116 98.064 -15.882 1.500 1.00 0.00 H new ATOM 1597 N ASP A 117 91.245 -13.916 -1.242 1.00 0.00 N ATOM 1598 CA ASP A 117 90.237 -12.885 -1.068 1.00 0.00 C ATOM 1599 C ASP A 117 89.052 -13.409 -0.266 1.00 0.00 C ATOM 1600 O ASP A 117 88.537 -12.721 0.616 1.00 0.00 O ATOM 1601 CB ASP A 117 89.748 -12.390 -2.432 1.00 0.00 C ATOM 1602 CG ASP A 117 89.206 -13.556 -3.254 1.00 0.00 C ATOM 1603 OD1 ASP A 117 89.411 -14.688 -2.849 1.00 0.00 O ATOM 1604 OD2 ASP A 117 88.592 -13.299 -4.276 1.00 0.00 O ATOM 0 H ASP A 117 91.450 -14.154 -2.212 1.00 0.00 H new ATOM 0 HA ASP A 117 90.692 -12.060 -0.521 1.00 0.00 H new ATOM 0 HB2 ASP A 117 88.970 -11.639 -2.297 1.00 0.00 H new ATOM 0 HB3 ASP A 117 90.567 -11.908 -2.967 1.00 0.00 H new ATOM 1609 N GLU A 118 88.622 -14.628 -0.571 1.00 0.00 N ATOM 1610 CA GLU A 118 87.498 -15.223 0.131 1.00 0.00 C ATOM 1611 C GLU A 118 87.890 -15.593 1.555 1.00 0.00 C ATOM 1612 O GLU A 118 87.088 -15.478 2.480 1.00 0.00 O ATOM 1613 CB GLU A 118 87.023 -16.471 -0.622 1.00 0.00 C ATOM 1614 CG GLU A 118 88.135 -17.521 -0.628 1.00 0.00 C ATOM 1615 CD GLU A 118 87.733 -18.701 -1.508 1.00 0.00 C ATOM 1616 OE1 GLU A 118 86.643 -18.662 -2.056 1.00 0.00 O ATOM 1617 OE2 GLU A 118 88.520 -19.626 -1.621 1.00 0.00 O ATOM 0 H GLU A 118 89.033 -15.218 -1.295 1.00 0.00 H new ATOM 0 HA GLU A 118 86.688 -14.496 0.175 1.00 0.00 H new ATOM 0 HB2 GLU A 118 86.129 -16.876 -0.148 1.00 0.00 H new ATOM 0 HB3 GLU A 118 86.751 -16.209 -1.644 1.00 0.00 H new ATOM 0 HG2 GLU A 118 89.061 -17.080 -0.997 1.00 0.00 H new ATOM 0 HG3 GLU A 118 88.328 -17.864 0.388 1.00 0.00 H new ATOM 1624 N GLU A 119 89.132 -16.037 1.725 1.00 0.00 N ATOM 1625 CA GLU A 119 89.619 -16.422 3.037 1.00 0.00 C ATOM 1626 C GLU A 119 89.701 -15.211 3.951 1.00 0.00 C ATOM 1627 O GLU A 119 89.332 -15.280 5.121 1.00 0.00 O ATOM 1628 CB GLU A 119 91.010 -17.057 2.919 1.00 0.00 C ATOM 1629 CG GLU A 119 90.924 -18.394 2.176 1.00 0.00 C ATOM 1630 CD GLU A 119 90.118 -19.401 2.989 1.00 0.00 C ATOM 1631 OE1 GLU A 119 90.091 -19.268 4.202 1.00 0.00 O ATOM 1632 OE2 GLU A 119 89.543 -20.292 2.388 1.00 0.00 O ATOM 0 H GLU A 119 89.813 -16.137 0.972 1.00 0.00 H new ATOM 0 HA GLU A 119 88.921 -17.145 3.460 1.00 0.00 H new ATOM 0 HB2 GLU A 119 91.682 -16.382 2.389 1.00 0.00 H new ATOM 0 HB3 GLU A 119 91.432 -17.212 3.912 1.00 0.00 H new ATOM 0 HG2 GLU A 119 90.458 -18.247 1.202 1.00 0.00 H new ATOM 0 HG3 GLU A 119 91.926 -18.782 1.995 1.00 0.00 H new ATOM 1639 N HIS A 120 90.187 -14.100 3.407 1.00 0.00 N ATOM 1640 CA HIS A 120 90.315 -12.881 4.191 1.00 0.00 C ATOM 1641 C HIS A 120 88.940 -12.340 4.555 1.00 0.00 C ATOM 1642 O HIS A 120 88.712 -11.912 5.685 1.00 0.00 O ATOM 1643 CB HIS A 120 91.093 -11.823 3.401 1.00 0.00 C ATOM 1644 CG HIS A 120 92.542 -12.218 3.321 1.00 0.00 C ATOM 1645 ND1 HIS A 120 93.518 -11.357 2.842 1.00 0.00 N ATOM 1646 CD2 HIS A 120 93.193 -13.385 3.634 1.00 0.00 C ATOM 1647 CE1 HIS A 120 94.693 -12.011 2.887 1.00 0.00 C ATOM 1648 NE2 HIS A 120 94.552 -13.252 3.361 1.00 0.00 N ATOM 0 H HIS A 120 90.495 -14.020 2.438 1.00 0.00 H new ATOM 0 HA HIS A 120 90.858 -13.115 5.107 1.00 0.00 H new ATOM 0 HB2 HIS A 120 90.677 -11.724 2.399 1.00 0.00 H new ATOM 0 HB3 HIS A 120 90.997 -10.850 3.884 1.00 0.00 H new ATOM 0 HD2 HIS A 120 92.723 -14.272 4.032 1.00 0.00 H new ATOM 0 HE1 HIS A 120 95.636 -11.584 2.577 1.00 0.00 H new ATOM 0 HE2 HIS A 120 95.282 -13.951 3.494 1.00 0.00 H new ATOM 1656 N CYS A 121 88.026 -12.374 3.589 1.00 0.00 N ATOM 1657 CA CYS A 121 86.673 -11.894 3.819 1.00 0.00 C ATOM 1658 C CYS A 121 85.966 -12.773 4.841 1.00 0.00 C ATOM 1659 O CYS A 121 85.282 -12.275 5.733 1.00 0.00 O ATOM 1660 CB CYS A 121 85.887 -11.898 2.505 1.00 0.00 C ATOM 1661 SG CYS A 121 86.531 -10.603 1.416 1.00 0.00 S ATOM 0 H CYS A 121 88.199 -12.727 2.648 1.00 0.00 H new ATOM 0 HA CYS A 121 86.726 -10.876 4.205 1.00 0.00 H new ATOM 0 HB2 CYS A 121 85.971 -12.871 2.021 1.00 0.00 H new ATOM 0 HB3 CYS A 121 84.828 -11.730 2.701 1.00 0.00 H new ATOM 0 HG CYS A 121 87.704 -10.950 0.976 1.00 0.00 H new ATOM 1667 N ARG A 122 86.148 -14.088 4.713 1.00 0.00 N ATOM 1668 CA ARG A 122 85.529 -15.023 5.641 1.00 0.00 C ATOM 1669 C ARG A 122 86.086 -14.822 7.040 1.00 0.00 C ATOM 1670 O ARG A 122 85.347 -14.855 8.025 1.00 0.00 O ATOM 1671 CB ARG A 122 85.773 -16.467 5.186 1.00 0.00 C ATOM 1672 CG ARG A 122 84.894 -16.784 3.973 1.00 0.00 C ATOM 1673 CD ARG A 122 83.544 -17.328 4.451 1.00 0.00 C ATOM 1674 NE ARG A 122 82.660 -17.565 3.317 1.00 0.00 N ATOM 1675 CZ ARG A 122 82.727 -18.692 2.617 1.00 0.00 C ATOM 1676 NH1 ARG A 122 81.914 -18.886 1.615 1.00 0.00 N ATOM 1677 NH2 ARG A 122 83.607 -19.605 2.930 1.00 0.00 N ATOM 0 H ARG A 122 86.713 -14.522 3.983 1.00 0.00 H new ATOM 0 HA ARG A 122 84.456 -14.835 5.656 1.00 0.00 H new ATOM 0 HB2 ARG A 122 86.824 -16.605 4.931 1.00 0.00 H new ATOM 0 HB3 ARG A 122 85.549 -17.157 5.999 1.00 0.00 H new ATOM 0 HG2 ARG A 122 84.745 -15.886 3.373 1.00 0.00 H new ATOM 0 HG3 ARG A 122 85.388 -17.516 3.334 1.00 0.00 H new ATOM 0 HD2 ARG A 122 83.694 -18.256 5.003 1.00 0.00 H new ATOM 0 HD3 ARG A 122 83.082 -16.619 5.138 1.00 0.00 H new ATOM 0 HE ARG A 122 81.978 -16.853 3.056 1.00 0.00 H new ATOM 0 HH11 ARG A 122 81.228 -18.173 1.370 1.00 0.00 H new ATOM 0 HH12 ARG A 122 81.965 -19.751 1.077 1.00 0.00 H new ATOM 0 HH21 ARG A 122 84.243 -19.453 3.712 1.00 0.00 H new ATOM 0 HH22 ARG A 122 83.658 -20.470 2.392 1.00 0.00 H new ATOM 1691 N LYS A 123 87.390 -14.602 7.125 1.00 0.00 N ATOM 1692 CA LYS A 123 88.018 -14.390 8.425 1.00 0.00 C ATOM 1693 C LYS A 123 87.573 -13.064 9.013 1.00 0.00 C ATOM 1694 O LYS A 123 87.188 -12.989 10.180 1.00 0.00 O ATOM 1695 CB LYS A 123 89.548 -14.404 8.298 1.00 0.00 C ATOM 1696 CG LYS A 123 90.130 -15.603 9.058 1.00 0.00 C ATOM 1697 CD LYS A 123 89.713 -16.905 8.372 1.00 0.00 C ATOM 1698 CE LYS A 123 89.230 -17.906 9.425 1.00 0.00 C ATOM 1699 NZ LYS A 123 90.280 -18.074 10.468 1.00 0.00 N ATOM 0 H LYS A 123 88.025 -14.566 6.328 1.00 0.00 H new ATOM 0 HA LYS A 123 87.711 -15.201 9.085 1.00 0.00 H new ATOM 0 HB2 LYS A 123 89.833 -14.457 7.247 1.00 0.00 H new ATOM 0 HB3 LYS A 123 89.962 -13.477 8.694 1.00 0.00 H new ATOM 0 HG2 LYS A 123 91.217 -15.531 9.091 1.00 0.00 H new ATOM 0 HG3 LYS A 123 89.779 -15.596 10.090 1.00 0.00 H new ATOM 0 HD2 LYS A 123 88.920 -16.710 7.650 1.00 0.00 H new ATOM 0 HD3 LYS A 123 90.554 -17.322 7.818 1.00 0.00 H new ATOM 0 HE2 LYS A 123 88.304 -17.554 9.879 1.00 0.00 H new ATOM 0 HE3 LYS A 123 89.011 -18.865 8.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 90.249 -19.045 10.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 91.215 -17.892 10.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 90.110 -17.402 11.244 1.00 0.00 H new ATOM 1713 N VAL A 124 87.610 -12.022 8.196 1.00 0.00 N ATOM 1714 CA VAL A 124 87.203 -10.710 8.648 1.00 0.00 C ATOM 1715 C VAL A 124 85.740 -10.736 9.040 1.00 0.00 C ATOM 1716 O VAL A 124 85.346 -10.138 10.038 1.00 0.00 O ATOM 1717 CB VAL A 124 87.431 -9.670 7.552 1.00 0.00 C ATOM 1718 CG1 VAL A 124 86.773 -8.350 7.958 1.00 0.00 C ATOM 1719 CG2 VAL A 124 88.936 -9.453 7.369 1.00 0.00 C ATOM 0 H VAL A 124 87.916 -12.063 7.224 1.00 0.00 H new ATOM 0 HA VAL A 124 87.805 -10.436 9.515 1.00 0.00 H new ATOM 0 HB VAL A 124 86.994 -10.021 6.617 1.00 0.00 H new ATOM 0 HG11 VAL A 124 86.935 -7.607 7.177 1.00 0.00 H new ATOM 0 HG12 VAL A 124 85.703 -8.504 8.096 1.00 0.00 H new ATOM 0 HG13 VAL A 124 87.212 -7.997 8.891 1.00 0.00 H new ATOM 0 HG21 VAL A 124 89.104 -8.712 6.588 1.00 0.00 H new ATOM 0 HG22 VAL A 124 89.369 -9.099 8.305 1.00 0.00 H new ATOM 0 HG23 VAL A 124 89.407 -10.394 7.084 1.00 0.00 H new ATOM 1729 N ASN A 125 84.936 -11.427 8.243 1.00 0.00 N ATOM 1730 CA ASN A 125 83.516 -11.502 8.522 1.00 0.00 C ATOM 1731 C ASN A 125 83.264 -12.155 9.877 1.00 0.00 C ATOM 1732 O ASN A 125 82.439 -11.681 10.658 1.00 0.00 O ATOM 1733 CB ASN A 125 82.805 -12.303 7.430 1.00 0.00 C ATOM 1734 CG ASN A 125 82.767 -11.499 6.136 1.00 0.00 C ATOM 1735 OD1 ASN A 125 82.956 -10.283 6.153 1.00 0.00 O ATOM 1736 ND2 ASN A 125 82.525 -12.109 5.007 1.00 0.00 N ATOM 0 H ASN A 125 85.240 -11.935 7.412 1.00 0.00 H new ATOM 0 HA ASN A 125 83.121 -10.486 8.542 1.00 0.00 H new ATOM 0 HB2 ASN A 125 83.322 -13.248 7.266 1.00 0.00 H new ATOM 0 HB3 ASN A 125 81.791 -12.546 7.747 1.00 0.00 H new ATOM 0 HD21 ASN A 125 82.492 -11.578 4.137 1.00 0.00 H new ATOM 0 HD22 ASN A 125 82.369 -13.117 4.995 1.00 0.00 H new ATOM 1743 N GLU A 126 83.985 -13.236 10.156 1.00 0.00 N ATOM 1744 CA GLU A 126 83.826 -13.931 11.427 1.00 0.00 C ATOM 1745 C GLU A 126 84.274 -13.047 12.586 1.00 0.00 C ATOM 1746 O GLU A 126 83.614 -12.989 13.623 1.00 0.00 O ATOM 1747 CB GLU A 126 84.641 -15.223 11.420 1.00 0.00 C ATOM 1748 CG GLU A 126 83.986 -16.228 10.472 1.00 0.00 C ATOM 1749 CD GLU A 126 84.910 -17.420 10.259 1.00 0.00 C ATOM 1750 OE1 GLU A 126 86.078 -17.304 10.590 1.00 0.00 O ATOM 1751 OE2 GLU A 126 84.437 -18.431 9.766 1.00 0.00 O ATOM 0 H GLU A 126 84.677 -13.645 9.528 1.00 0.00 H new ATOM 0 HA GLU A 126 82.770 -14.169 11.559 1.00 0.00 H new ATOM 0 HB2 GLU A 126 85.664 -15.020 11.103 1.00 0.00 H new ATOM 0 HB3 GLU A 126 84.696 -15.637 12.427 1.00 0.00 H new ATOM 0 HG2 GLU A 126 83.035 -16.564 10.885 1.00 0.00 H new ATOM 0 HG3 GLU A 126 83.768 -15.751 9.517 1.00 0.00 H new ATOM 1758 N TYR A 127 85.394 -12.353 12.404 1.00 0.00 N ATOM 1759 CA TYR A 127 85.900 -11.472 13.452 1.00 0.00 C ATOM 1760 C TYR A 127 84.962 -10.291 13.669 1.00 0.00 C ATOM 1761 O TYR A 127 84.714 -9.880 14.803 1.00 0.00 O ATOM 1762 CB TYR A 127 87.299 -10.957 13.095 1.00 0.00 C ATOM 1763 CG TYR A 127 88.341 -11.970 13.516 1.00 0.00 C ATOM 1764 CD1 TYR A 127 89.126 -12.617 12.553 1.00 0.00 C ATOM 1765 CD2 TYR A 127 88.520 -12.262 14.875 1.00 0.00 C ATOM 1766 CE1 TYR A 127 90.089 -13.554 12.949 1.00 0.00 C ATOM 1767 CE2 TYR A 127 89.483 -13.198 15.268 1.00 0.00 C ATOM 1768 CZ TYR A 127 90.266 -13.844 14.306 1.00 0.00 C ATOM 1769 OH TYR A 127 91.214 -14.769 14.695 1.00 0.00 O ATOM 0 H TYR A 127 85.960 -12.382 11.556 1.00 0.00 H new ATOM 0 HA TYR A 127 85.957 -12.051 14.374 1.00 0.00 H new ATOM 0 HB2 TYR A 127 87.367 -10.776 12.022 1.00 0.00 H new ATOM 0 HB3 TYR A 127 87.483 -10.004 13.591 1.00 0.00 H new ATOM 0 HD1 TYR A 127 88.989 -12.393 11.505 1.00 0.00 H new ATOM 0 HD2 TYR A 127 87.915 -11.765 15.619 1.00 0.00 H new ATOM 0 HE1 TYR A 127 90.695 -14.052 12.207 1.00 0.00 H new ATOM 0 HE2 TYR A 127 89.622 -13.422 16.315 1.00 0.00 H new ATOM 0 HH TYR A 127 91.209 -14.852 15.671 1.00 0.00 H new ATOM 1779 N LEU A 128 84.454 -9.742 12.576 1.00 0.00 N ATOM 1780 CA LEU A 128 83.555 -8.600 12.658 1.00 0.00 C ATOM 1781 C LEU A 128 82.201 -9.021 13.230 1.00 0.00 C ATOM 1782 O LEU A 128 81.603 -8.303 14.031 1.00 0.00 O ATOM 1783 CB LEU A 128 83.350 -7.998 11.266 1.00 0.00 C ATOM 1784 CG LEU A 128 82.690 -6.622 11.396 1.00 0.00 C ATOM 1785 CD1 LEU A 128 83.678 -5.626 12.024 1.00 0.00 C ATOM 1786 CD2 LEU A 128 82.276 -6.121 10.012 1.00 0.00 C ATOM 0 H LEU A 128 84.647 -10.066 11.628 1.00 0.00 H new ATOM 0 HA LEU A 128 84.003 -7.857 13.318 1.00 0.00 H new ATOM 0 HB2 LEU A 128 84.307 -7.907 10.753 1.00 0.00 H new ATOM 0 HB3 LEU A 128 82.726 -8.657 10.662 1.00 0.00 H new ATOM 0 HG LEU A 128 81.810 -6.707 12.033 1.00 0.00 H new ATOM 0 HD11 LEU A 128 83.202 -4.649 12.114 1.00 0.00 H new ATOM 0 HD12 LEU A 128 83.971 -5.979 13.013 1.00 0.00 H new ATOM 0 HD13 LEU A 128 84.562 -5.542 11.392 1.00 0.00 H new ATOM 0 HD21 LEU A 128 81.806 -5.142 10.105 1.00 0.00 H new ATOM 0 HD22 LEU A 128 83.157 -6.042 9.375 1.00 0.00 H new ATOM 0 HD23 LEU A 128 81.569 -6.822 9.568 1.00 0.00 H new ATOM 1798 N ASN A 129 81.723 -10.186 12.799 1.00 0.00 N ATOM 1799 CA ASN A 129 80.434 -10.700 13.256 1.00 0.00 C ATOM 1800 C ASN A 129 80.623 -11.748 14.343 1.00 0.00 C ATOM 1801 O ASN A 129 79.692 -12.478 14.685 1.00 0.00 O ATOM 1802 CB ASN A 129 79.685 -11.325 12.079 1.00 0.00 C ATOM 1803 CG ASN A 129 78.206 -11.473 12.414 1.00 0.00 C ATOM 1804 OD1 ASN A 129 77.639 -10.638 13.120 1.00 0.00 O ATOM 1805 ND2 ASN A 129 77.541 -12.495 11.946 1.00 0.00 N ATOM 0 H ASN A 129 82.207 -10.791 12.136 1.00 0.00 H new ATOM 0 HA ASN A 129 79.859 -9.870 13.666 1.00 0.00 H new ATOM 0 HB2 ASN A 129 79.804 -10.703 11.192 1.00 0.00 H new ATOM 0 HB3 ASN A 129 80.111 -12.300 11.844 1.00 0.00 H new ATOM 0 HD21 ASN A 129 76.551 -12.603 12.165 1.00 0.00 H new ATOM 0 HD22 ASN A 129 78.012 -13.186 11.361 1.00 0.00 H new ATOM 1862 N PRO B 942 96.749 -6.561 -10.180 1.00 0.00 N ATOM 1863 CA PRO B 942 95.400 -7.195 -10.094 1.00 0.00 C ATOM 1864 C PRO B 942 94.437 -6.610 -11.121 1.00 0.00 C ATOM 1865 O PRO B 942 94.797 -5.712 -11.881 1.00 0.00 O ATOM 1866 CB PRO B 942 94.925 -6.888 -8.667 1.00 0.00 C ATOM 1867 CG PRO B 942 96.145 -6.488 -7.909 1.00 0.00 C ATOM 1868 CD PRO B 942 97.102 -5.875 -8.928 1.00 0.00 C ATOM 0 HA PRO B 942 95.440 -8.264 -10.304 1.00 0.00 H new ATOM 0 HB2 PRO B 942 94.184 -6.089 -8.665 1.00 0.00 H new ATOM 0 HB3 PRO B 942 94.453 -7.761 -8.216 1.00 0.00 H new ATOM 0 HG2 PRO B 942 95.898 -5.770 -7.127 1.00 0.00 H new ATOM 0 HG3 PRO B 942 96.598 -7.350 -7.420 1.00 0.00 H new ATOM 0 HD2 PRO B 942 96.967 -4.796 -9.009 1.00 0.00 H new ATOM 0 HD3 PRO B 942 98.143 -6.046 -8.655 1.00 0.00 H new ATOM 1876 N GLU B 943 93.212 -7.120 -11.137 1.00 0.00 N ATOM 1877 CA GLU B 943 92.213 -6.628 -12.078 1.00 0.00 C ATOM 1878 C GLU B 943 91.276 -5.626 -11.381 1.00 0.00 C ATOM 1879 O GLU B 943 90.466 -6.025 -10.546 1.00 0.00 O ATOM 1880 CB GLU B 943 91.397 -7.806 -12.616 1.00 0.00 C ATOM 1881 CG GLU B 943 92.324 -8.766 -13.363 1.00 0.00 C ATOM 1882 CD GLU B 943 91.530 -9.944 -13.915 1.00 0.00 C ATOM 1883 OE1 GLU B 943 90.474 -9.709 -14.480 1.00 0.00 O ATOM 1884 OE2 GLU B 943 91.991 -11.064 -13.772 1.00 0.00 O ATOM 0 H GLU B 943 92.889 -7.864 -10.518 1.00 0.00 H new ATOM 0 HA GLU B 943 92.717 -6.125 -12.903 1.00 0.00 H new ATOM 0 HB2 GLU B 943 90.902 -8.325 -11.795 1.00 0.00 H new ATOM 0 HB3 GLU B 943 90.614 -7.446 -13.283 1.00 0.00 H new ATOM 0 HG2 GLU B 943 92.823 -8.241 -14.178 1.00 0.00 H new ATOM 0 HG3 GLU B 943 93.103 -9.126 -12.692 1.00 0.00 H new ATOM 1891 N PRO B 944 91.364 -4.344 -11.684 1.00 0.00 N ATOM 1892 CA PRO B 944 90.495 -3.318 -11.037 1.00 0.00 C ATOM 1893 C PRO B 944 89.071 -3.297 -11.593 1.00 0.00 C ATOM 1894 O PRO B 944 88.815 -3.782 -12.695 1.00 0.00 O ATOM 1895 CB PRO B 944 91.219 -2.003 -11.328 1.00 0.00 C ATOM 1896 CG PRO B 944 91.950 -2.232 -12.602 1.00 0.00 C ATOM 1897 CD PRO B 944 92.280 -3.724 -12.665 1.00 0.00 C ATOM 0 HA PRO B 944 90.361 -3.518 -9.974 1.00 0.00 H new ATOM 0 HB2 PRO B 944 90.513 -1.178 -11.422 1.00 0.00 H new ATOM 0 HB3 PRO B 944 91.905 -1.745 -10.521 1.00 0.00 H new ATOM 0 HG2 PRO B 944 91.340 -1.935 -13.455 1.00 0.00 H new ATOM 0 HG3 PRO B 944 92.860 -1.634 -12.637 1.00 0.00 H new ATOM 0 HD2 PRO B 944 92.120 -4.124 -13.666 1.00 0.00 H new ATOM 0 HD3 PRO B 944 93.323 -3.912 -12.409 1.00 0.00 H new ATOM 1905 N PRO B 945 88.154 -2.723 -10.856 1.00 0.00 N ATOM 1906 CA PRO B 945 86.727 -2.603 -11.273 1.00 0.00 C ATOM 1907 C PRO B 945 86.585 -1.779 -12.552 1.00 0.00 C ATOM 1908 O PRO B 945 87.584 -1.407 -13.168 1.00 0.00 O ATOM 1909 CB PRO B 945 86.042 -1.926 -10.081 1.00 0.00 C ATOM 1910 CG PRO B 945 87.140 -1.254 -9.330 1.00 0.00 C ATOM 1911 CD PRO B 945 88.373 -2.125 -9.529 1.00 0.00 C ATOM 0 HA PRO B 945 86.280 -3.569 -11.509 1.00 0.00 H new ATOM 0 HB2 PRO B 945 85.294 -1.206 -10.413 1.00 0.00 H new ATOM 0 HB3 PRO B 945 85.527 -2.656 -9.456 1.00 0.00 H new ATOM 0 HG2 PRO B 945 87.310 -0.245 -9.705 1.00 0.00 H new ATOM 0 HG3 PRO B 945 86.892 -1.163 -8.272 1.00 0.00 H new ATOM 0 HD2 PRO B 945 89.290 -1.537 -9.499 1.00 0.00 H new ATOM 0 HD3 PRO B 945 88.457 -2.886 -8.754 1.00 0.00 H new ATOM 1919 N GLU B 946 85.345 -1.510 -12.953 1.00 0.00 N ATOM 1920 CA GLU B 946 85.082 -0.749 -14.164 1.00 0.00 C ATOM 1921 C GLU B 946 84.135 0.401 -13.849 1.00 0.00 C ATOM 1922 O GLU B 946 83.297 0.289 -12.951 1.00 0.00 O ATOM 1923 CB GLU B 946 84.449 -1.658 -15.225 1.00 0.00 C ATOM 1924 CG GLU B 946 85.476 -2.681 -15.710 1.00 0.00 C ATOM 1925 CD GLU B 946 84.846 -3.583 -16.767 1.00 0.00 C ATOM 1926 OE1 GLU B 946 83.657 -3.445 -17.001 1.00 0.00 O ATOM 1927 OE2 GLU B 946 85.562 -4.395 -17.329 1.00 0.00 O ATOM 0 H GLU B 946 84.508 -1.810 -12.454 1.00 0.00 H new ATOM 0 HA GLU B 946 86.022 -0.352 -14.547 1.00 0.00 H new ATOM 0 HB2 GLU B 946 83.582 -2.170 -14.808 1.00 0.00 H new ATOM 0 HB3 GLU B 946 84.094 -1.060 -16.064 1.00 0.00 H new ATOM 0 HG2 GLU B 946 86.344 -2.170 -16.126 1.00 0.00 H new ATOM 0 HG3 GLU B 946 85.830 -3.280 -14.871 1.00 0.00 H new ATOM 1934 N PRO B 947 84.246 1.504 -14.540 1.00 0.00 N ATOM 1935 CA PRO B 947 83.368 2.671 -14.278 1.00 0.00 C ATOM 1936 C PRO B 947 81.902 2.437 -14.623 1.00 0.00 C ATOM 1937 O PRO B 947 81.578 1.942 -15.702 1.00 0.00 O ATOM 1938 CB PRO B 947 83.946 3.780 -15.156 1.00 0.00 C ATOM 1939 CG PRO B 947 84.753 3.099 -16.200 1.00 0.00 C ATOM 1940 CD PRO B 947 85.209 1.769 -15.617 1.00 0.00 C ATOM 0 HA PRO B 947 83.359 2.904 -13.213 1.00 0.00 H new ATOM 0 HB2 PRO B 947 83.151 4.376 -15.605 1.00 0.00 H new ATOM 0 HB3 PRO B 947 84.563 4.461 -14.569 1.00 0.00 H new ATOM 0 HG2 PRO B 947 84.162 2.942 -17.102 1.00 0.00 H new ATOM 0 HG3 PRO B 947 85.610 3.710 -16.483 1.00 0.00 H new ATOM 0 HD2 PRO B 947 85.196 0.979 -16.368 1.00 0.00 H new ATOM 0 HD3 PRO B 947 86.228 1.829 -15.235 1.00 0.00 H new ATOM 1948 N PHE B 948 81.009 2.836 -13.712 1.00 0.00 N ATOM 1949 CA PHE B 948 79.580 2.698 -13.966 1.00 0.00 C ATOM 1950 C PHE B 948 78.801 3.733 -13.154 1.00 0.00 C ATOM 1951 O PHE B 948 79.342 4.370 -12.256 1.00 0.00 O ATOM 1952 CB PHE B 948 79.074 1.274 -13.668 1.00 0.00 C ATOM 1953 CG PHE B 948 79.055 0.989 -12.186 1.00 0.00 C ATOM 1954 CD1 PHE B 948 77.923 1.319 -11.432 1.00 0.00 C ATOM 1955 CD2 PHE B 948 80.146 0.361 -11.574 1.00 0.00 C ATOM 1956 CE1 PHE B 948 77.884 1.027 -10.064 1.00 0.00 C ATOM 1957 CE2 PHE B 948 80.108 0.071 -10.204 1.00 0.00 C ATOM 1958 CZ PHE B 948 78.976 0.403 -9.448 1.00 0.00 C ATOM 0 H PHE B 948 81.248 3.249 -12.810 1.00 0.00 H new ATOM 0 HA PHE B 948 79.412 2.879 -15.028 1.00 0.00 H new ATOM 0 HB2 PHE B 948 78.070 1.151 -14.075 1.00 0.00 H new ATOM 0 HB3 PHE B 948 79.713 0.548 -14.170 1.00 0.00 H new ATOM 0 HD1 PHE B 948 77.080 1.799 -11.906 1.00 0.00 H new ATOM 0 HD2 PHE B 948 81.017 0.100 -12.158 1.00 0.00 H new ATOM 0 HE1 PHE B 948 77.011 1.283 -9.483 1.00 0.00 H new ATOM 0 HE2 PHE B 948 80.952 -0.409 -9.730 1.00 0.00 H new ATOM 0 HZ PHE B 948 78.946 0.178 -8.392 1.00 0.00 H new ATOM 1968 N GLU B 949 77.535 3.910 -13.481 1.00 0.00 N ATOM 1969 CA GLU B 949 76.718 4.871 -12.771 1.00 0.00 C ATOM 1970 C GLU B 949 75.970 4.177 -11.649 1.00 0.00 C ATOM 1971 O GLU B 949 75.185 3.256 -11.881 1.00 0.00 O ATOM 1972 CB GLU B 949 75.717 5.526 -13.724 1.00 0.00 C ATOM 1973 CG GLU B 949 76.466 6.337 -14.788 1.00 0.00 C ATOM 1974 CD GLU B 949 76.932 5.424 -15.920 1.00 0.00 C ATOM 1975 OE1 GLU B 949 76.696 4.229 -15.829 1.00 0.00 O ATOM 1976 OE2 GLU B 949 77.519 5.932 -16.860 1.00 0.00 O ATOM 0 H GLU B 949 77.055 3.406 -14.226 1.00 0.00 H new ATOM 0 HA GLU B 949 77.367 5.642 -12.355 1.00 0.00 H new ATOM 0 HB2 GLU B 949 75.103 4.763 -14.201 1.00 0.00 H new ATOM 0 HB3 GLU B 949 75.042 6.176 -13.167 1.00 0.00 H new ATOM 0 HG2 GLU B 949 75.816 7.117 -15.185 1.00 0.00 H new ATOM 0 HG3 GLU B 949 77.324 6.836 -14.337 1.00 0.00 H new ATOM 1983 N TYR B 950 76.209 4.631 -10.434 1.00 0.00 N ATOM 1984 CA TYR B 950 75.544 4.055 -9.289 1.00 0.00 C ATOM 1985 C TYR B 950 74.287 4.833 -8.983 1.00 0.00 C ATOM 1986 O TYR B 950 74.334 6.011 -8.627 1.00 0.00 O ATOM 1987 CB TYR B 950 76.480 4.056 -8.085 1.00 0.00 C ATOM 1988 CG TYR B 950 75.679 3.890 -6.820 1.00 0.00 C ATOM 1989 CD1 TYR B 950 75.089 2.658 -6.514 1.00 0.00 C ATOM 1990 CD2 TYR B 950 75.543 4.969 -5.943 1.00 0.00 C ATOM 1991 CE1 TYR B 950 74.363 2.506 -5.329 1.00 0.00 C ATOM 1992 CE2 TYR B 950 74.814 4.822 -4.761 1.00 0.00 C ATOM 1993 CZ TYR B 950 74.223 3.590 -4.452 1.00 0.00 C ATOM 1994 OH TYR B 950 73.506 3.443 -3.280 1.00 0.00 O ATOM 0 H TYR B 950 76.854 5.391 -10.218 1.00 0.00 H new ATOM 0 HA TYR B 950 75.272 3.024 -9.514 1.00 0.00 H new ATOM 0 HB2 TYR B 950 77.206 3.248 -8.176 1.00 0.00 H new ATOM 0 HB3 TYR B 950 77.043 4.989 -8.051 1.00 0.00 H new ATOM 0 HD1 TYR B 950 75.195 1.825 -7.193 1.00 0.00 H new ATOM 0 HD2 TYR B 950 76.002 5.918 -6.179 1.00 0.00 H new ATOM 0 HE1 TYR B 950 73.911 1.555 -5.090 1.00 0.00 H new ATOM 0 HE2 TYR B 950 74.706 5.658 -4.085 1.00 0.00 H new ATOM 0 HH TYR B 950 73.573 2.516 -2.969 1.00 0.00 H new ATOM 2004 N ILE B 951 73.165 4.159 -9.135 1.00 0.00 N ATOM 2005 CA ILE B 951 71.885 4.773 -8.885 1.00 0.00 C ATOM 2006 C ILE B 951 71.022 3.841 -8.059 1.00 0.00 C ATOM 2007 O ILE B 951 70.663 2.749 -8.501 1.00 0.00 O ATOM 2008 CB ILE B 951 71.205 5.085 -10.215 1.00 0.00 C ATOM 2009 CG1 ILE B 951 69.876 5.789 -9.940 1.00 0.00 C ATOM 2010 CG2 ILE B 951 70.958 3.790 -10.987 1.00 0.00 C ATOM 2011 CD1 ILE B 951 69.353 6.430 -11.227 1.00 0.00 C ATOM 0 H ILE B 951 73.118 3.184 -9.431 1.00 0.00 H new ATOM 0 HA ILE B 951 72.026 5.701 -8.331 1.00 0.00 H new ATOM 0 HB ILE B 951 71.846 5.733 -10.813 1.00 0.00 H new ATOM 0 HG12 ILE B 951 69.148 5.074 -9.557 1.00 0.00 H new ATOM 0 HG13 ILE B 951 70.010 6.551 -9.172 1.00 0.00 H new ATOM 0 HG21 ILE B 951 70.472 4.019 -11.936 1.00 0.00 H new ATOM 0 HG22 ILE B 951 71.909 3.293 -11.177 1.00 0.00 H new ATOM 0 HG23 ILE B 951 70.316 3.133 -10.400 1.00 0.00 H new ATOM 0 HD11 ILE B 951 68.406 6.930 -11.025 1.00 0.00 H new ATOM 0 HD12 ILE B 951 70.078 7.158 -11.591 1.00 0.00 H new ATOM 0 HD13 ILE B 951 69.202 5.659 -11.982 1.00 0.00 H new ATOM 2023 N ASP B 952 70.701 4.276 -6.853 1.00 0.00 N ATOM 2024 CA ASP B 952 69.887 3.465 -5.969 1.00 0.00 C ATOM 2025 C ASP B 952 68.528 3.204 -6.597 1.00 0.00 C ATOM 2026 O ASP B 952 67.540 3.866 -6.273 1.00 0.00 O ATOM 2027 CB ASP B 952 69.712 4.180 -4.631 1.00 0.00 C ATOM 2028 CG ASP B 952 69.034 5.529 -4.844 1.00 0.00 C ATOM 2029 OD1 ASP B 952 68.765 5.864 -5.986 1.00 0.00 O ATOM 2030 OD2 ASP B 952 68.794 6.211 -3.861 1.00 0.00 O ATOM 0 H ASP B 952 70.988 5.176 -6.468 1.00 0.00 H new ATOM 0 HA ASP B 952 70.386 2.510 -5.805 1.00 0.00 H new ATOM 0 HB2 ASP B 952 69.115 3.566 -3.957 1.00 0.00 H new ATOM 0 HB3 ASP B 952 70.683 4.323 -4.156 1.00 0.00 H new ATOM 2035 N ASP B 953 68.487 2.229 -7.496 1.00 0.00 N ATOM 2036 CA ASP B 953 67.238 1.883 -8.164 1.00 0.00 C ATOM 2037 C ASP B 953 66.415 0.932 -7.303 1.00 0.00 C ATOM 2038 O ASP B 953 66.964 -0.066 -6.864 1.00 0.00 O ATOM 2039 CB ASP B 953 67.520 1.231 -9.518 1.00 0.00 C ATOM 2040 CG ASP B 953 66.205 0.939 -10.235 1.00 0.00 C ATOM 2041 OD1 ASP B 953 65.166 1.133 -9.626 1.00 0.00 O ATOM 2042 OD2 ASP B 953 66.256 0.527 -11.382 1.00 0.00 O ATOM 2043 OXT ASP B 953 65.246 1.214 -7.092 1.00 0.00 O ATOM 0 H ASP B 953 69.292 1.670 -7.777 1.00 0.00 H new ATOM 0 HA ASP B 953 66.672 2.801 -8.319 1.00 0.00 H new ATOM 0 HB2 ASP B 953 68.139 1.890 -10.127 1.00 0.00 H new ATOM 0 HB3 ASP B 953 68.081 0.307 -9.377 1.00 0.00 H new