USER MOD reduce.3.24.130724 H: found=0, std=0, add=976, rem=0, adj=29 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 84:sc= 0.449 USER MOD Set 2.1: A 88 CYS SG : rot -170:sc= -4.67! USER MOD Set 2.2: A 90 SER OG : rot -16:sc= 1.15 USER MOD Set 3.1: A 58 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Set 3.2: A 60 CYS SG : rot 180:sc= 0 USER MOD Set 4.1: A 50 GLN :FLIP amide:sc= -5.65! C(o=-7.9!,f=-5.6!) USER MOD Set 4.2: A 52 THR OG1 : rot 77:sc= 0.0901 USER MOD Single : A 21 LYS NZ :NH3+ 158:sc=-0.00539 (180deg=-0.432) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 MET CE :methyl -174:sc= -0.833 (180deg=-0.905) USER MOD Single : A 32 SER OG : rot 120:sc= -1.66 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 57:sc= -0.0877! USER MOD Single : A 37 THR OG1 : rot 81:sc= 1.12 USER MOD Single : A 39 THR OG1 : rot 180:sc=-0.00248 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.191) USER MOD Single : A 48 TYR OH : rot 180:sc= -0.982 USER MOD Single : A 51 GLN : amide:sc= 0.331 X(o=0.33,f=-0.0091) USER MOD Single : A 55 SER OG : rot -76:sc= 0.866 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -0.045 K(o=-0.045,f=-1.8!) USER MOD Single : A 80 CYS SG : rot 33:sc= 0.8 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 GLN :FLIP amide:sc= -9.4! C(o=-10!,f=-9.4!) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 166:sc= -0.124 (180deg=-0.628) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 SER OG : rot 180:sc=-0.00228 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 GLN : amide:sc= -5.24 K(o=-5.2,f=-9.7!) USER MOD Single : A 113 LYS NZ :NH3+ -161:sc= -0.0597 (180deg=-0.541) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 GLN : amide:sc= -0.156 X(o=-0.16,f=-0.3) USER MOD Single : A 120 HIS : +bothHN:sc= -0.0189! C(o=-0.019!,f=-11!) USER MOD Single : A 123 LYS NZ :NH3+ 157:sc= 0.00266 (180deg=-0.317) USER MOD Single : A 125 ASN : amide:sc= -3.36! C(o=-3.4!,f=-5.5!) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 129 ASN : amide:sc= -1.18 K(o=-1.2,f=-2.2!) USER MOD Single : B 950 TYR OH : rot 30:sc= -0.543 USER MOD ----------------------------------------------------------------- ATOM 17 N LYS A 21 98.399 -6.211 18.674 1.00 0.00 N ATOM 18 CA LYS A 21 97.646 -5.005 18.353 1.00 0.00 C ATOM 19 C LYS A 21 97.068 -5.091 16.945 1.00 0.00 C ATOM 20 O LYS A 21 95.938 -4.668 16.702 1.00 0.00 O ATOM 21 CB LYS A 21 98.551 -3.777 18.460 1.00 0.00 C ATOM 22 CG LYS A 21 98.701 -3.376 19.929 1.00 0.00 C ATOM 23 CD LYS A 21 99.689 -2.213 20.043 1.00 0.00 C ATOM 24 CE LYS A 21 99.221 -1.254 21.140 1.00 0.00 C ATOM 25 NZ LYS A 21 99.009 -2.010 22.406 1.00 0.00 N ATOM 0 HA LYS A 21 96.826 -4.914 19.065 1.00 0.00 H new ATOM 0 HB2 LYS A 21 99.529 -3.995 18.030 1.00 0.00 H new ATOM 0 HB3 LYS A 21 98.129 -2.951 17.888 1.00 0.00 H new ATOM 0 HG2 LYS A 21 97.733 -3.086 20.338 1.00 0.00 H new ATOM 0 HG3 LYS A 21 99.053 -4.225 20.515 1.00 0.00 H new ATOM 0 HD2 LYS A 21 100.685 -2.589 20.274 1.00 0.00 H new ATOM 0 HD3 LYS A 21 99.760 -1.687 19.091 1.00 0.00 H new ATOM 0 HE2 LYS A 21 99.963 -0.470 21.292 1.00 0.00 H new ATOM 0 HE3 LYS A 21 98.296 -0.763 20.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 99.060 -1.356 23.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 98.074 -2.464 22.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 99.745 -2.738 22.503 1.00 0.00 H new ATOM 39 N TYR A 22 97.847 -5.638 16.024 1.00 0.00 N ATOM 40 CA TYR A 22 97.401 -5.772 14.641 1.00 0.00 C ATOM 41 C TYR A 22 96.819 -7.161 14.399 1.00 0.00 C ATOM 42 O TYR A 22 97.553 -8.150 14.347 1.00 0.00 O ATOM 43 CB TYR A 22 98.574 -5.532 13.691 1.00 0.00 C ATOM 44 CG TYR A 22 99.048 -4.104 13.824 1.00 0.00 C ATOM 45 CD1 TYR A 22 100.102 -3.794 14.692 1.00 0.00 C ATOM 46 CD2 TYR A 22 98.433 -3.090 13.079 1.00 0.00 C ATOM 47 CE1 TYR A 22 100.540 -2.470 14.817 1.00 0.00 C ATOM 48 CE2 TYR A 22 98.872 -1.766 13.203 1.00 0.00 C ATOM 49 CZ TYR A 22 99.926 -1.456 14.071 1.00 0.00 C ATOM 50 OH TYR A 22 100.358 -0.151 14.194 1.00 0.00 O ATOM 0 H TYR A 22 98.785 -5.995 16.205 1.00 0.00 H new ATOM 0 HA TYR A 22 96.625 -5.030 14.453 1.00 0.00 H new ATOM 0 HB2 TYR A 22 99.388 -6.219 13.921 1.00 0.00 H new ATOM 0 HB3 TYR A 22 98.270 -5.731 12.663 1.00 0.00 H new ATOM 0 HD1 TYR A 22 100.577 -4.576 15.265 1.00 0.00 H new ATOM 0 HD2 TYR A 22 97.620 -3.329 12.409 1.00 0.00 H new ATOM 0 HE1 TYR A 22 101.351 -2.231 15.489 1.00 0.00 H new ATOM 0 HE2 TYR A 22 98.397 -0.984 12.629 1.00 0.00 H new ATOM 0 HH TYR A 22 99.827 0.426 13.607 1.00 0.00 H new ATOM 60 N LEU A 23 95.500 -7.223 14.227 1.00 0.00 N ATOM 61 CA LEU A 23 94.835 -8.497 13.971 1.00 0.00 C ATOM 62 C LEU A 23 94.614 -8.689 12.476 1.00 0.00 C ATOM 63 O LEU A 23 94.955 -9.735 11.921 1.00 0.00 O ATOM 64 CB LEU A 23 93.489 -8.539 14.697 1.00 0.00 C ATOM 65 CG LEU A 23 93.716 -8.389 16.203 1.00 0.00 C ATOM 66 CD1 LEU A 23 92.368 -8.330 16.922 1.00 0.00 C ATOM 67 CD2 LEU A 23 94.519 -9.586 16.723 1.00 0.00 C ATOM 0 H LEU A 23 94.877 -6.416 14.260 1.00 0.00 H new ATOM 0 HA LEU A 23 95.471 -9.301 14.341 1.00 0.00 H new ATOM 0 HB2 LEU A 23 92.843 -7.739 14.334 1.00 0.00 H new ATOM 0 HB3 LEU A 23 92.980 -9.480 14.487 1.00 0.00 H new ATOM 0 HG LEU A 23 94.269 -7.470 16.394 1.00 0.00 H new ATOM 0 HD11 LEU A 23 92.532 -8.223 17.994 1.00 0.00 H new ATOM 0 HD12 LEU A 23 91.797 -7.477 16.555 1.00 0.00 H new ATOM 0 HD13 LEU A 23 91.813 -9.248 16.730 1.00 0.00 H new ATOM 0 HD21 LEU A 23 94.680 -9.478 17.796 1.00 0.00 H new ATOM 0 HD22 LEU A 23 93.967 -10.506 16.530 1.00 0.00 H new ATOM 0 HD23 LEU A 23 95.482 -9.627 16.214 1.00 0.00 H new ATOM 79 N VAL A 24 94.067 -7.663 11.824 1.00 0.00 N ATOM 80 CA VAL A 24 93.838 -7.727 10.382 1.00 0.00 C ATOM 81 C VAL A 24 94.384 -6.469 9.712 1.00 0.00 C ATOM 82 O VAL A 24 93.998 -5.350 10.053 1.00 0.00 O ATOM 83 CB VAL A 24 92.347 -7.864 10.092 1.00 0.00 C ATOM 84 CG1 VAL A 24 92.125 -7.970 8.586 1.00 0.00 C ATOM 85 CG2 VAL A 24 91.806 -9.116 10.783 1.00 0.00 C ATOM 0 H VAL A 24 93.778 -6.790 12.264 1.00 0.00 H new ATOM 0 HA VAL A 24 94.357 -8.598 9.982 1.00 0.00 H new ATOM 0 HB VAL A 24 91.822 -6.987 10.471 1.00 0.00 H new ATOM 0 HG11 VAL A 24 91.059 -8.068 8.381 1.00 0.00 H new ATOM 0 HG12 VAL A 24 92.507 -7.074 8.098 1.00 0.00 H new ATOM 0 HG13 VAL A 24 92.650 -8.844 8.202 1.00 0.00 H new ATOM 0 HG21 VAL A 24 90.740 -9.214 10.576 1.00 0.00 H new ATOM 0 HG22 VAL A 24 92.331 -9.994 10.408 1.00 0.00 H new ATOM 0 HG23 VAL A 24 91.960 -9.033 11.859 1.00 0.00 H new ATOM 95 N GLU A 25 95.287 -6.658 8.760 1.00 0.00 N ATOM 96 CA GLU A 25 95.891 -5.529 8.054 1.00 0.00 C ATOM 97 C GLU A 25 96.193 -5.900 6.605 1.00 0.00 C ATOM 98 O GLU A 25 96.863 -6.899 6.337 1.00 0.00 O ATOM 99 CB GLU A 25 97.184 -5.110 8.757 1.00 0.00 C ATOM 100 CG GLU A 25 97.238 -3.588 8.861 1.00 0.00 C ATOM 101 CD GLU A 25 98.592 -3.146 9.406 1.00 0.00 C ATOM 102 OE1 GLU A 25 99.252 -3.963 10.026 1.00 0.00 O ATOM 103 OE2 GLU A 25 98.947 -1.996 9.201 1.00 0.00 O ATOM 0 H GLU A 25 95.618 -7.574 8.458 1.00 0.00 H new ATOM 0 HA GLU A 25 95.185 -4.698 8.062 1.00 0.00 H new ATOM 0 HB2 GLU A 25 97.230 -5.555 9.751 1.00 0.00 H new ATOM 0 HB3 GLU A 25 98.047 -5.478 8.203 1.00 0.00 H new ATOM 0 HG2 GLU A 25 97.069 -3.143 7.880 1.00 0.00 H new ATOM 0 HG3 GLU A 25 96.441 -3.232 9.514 1.00 0.00 H new ATOM 110 N PHE A 26 95.690 -5.090 5.677 1.00 0.00 N ATOM 111 CA PHE A 26 95.913 -5.347 4.255 1.00 0.00 C ATOM 112 C PHE A 26 95.643 -4.090 3.437 1.00 0.00 C ATOM 113 O PHE A 26 95.525 -2.998 3.988 1.00 0.00 O ATOM 114 CB PHE A 26 94.995 -6.481 3.783 1.00 0.00 C ATOM 115 CG PHE A 26 95.808 -7.735 3.578 1.00 0.00 C ATOM 116 CD1 PHE A 26 95.751 -8.768 4.521 1.00 0.00 C ATOM 117 CD2 PHE A 26 96.617 -7.867 2.443 1.00 0.00 C ATOM 118 CE1 PHE A 26 96.504 -9.932 4.329 1.00 0.00 C ATOM 119 CE2 PHE A 26 97.370 -9.032 2.251 1.00 0.00 C ATOM 120 CZ PHE A 26 97.313 -10.065 3.194 1.00 0.00 C ATOM 0 H PHE A 26 95.132 -4.260 5.879 1.00 0.00 H new ATOM 0 HA PHE A 26 96.953 -5.640 4.112 1.00 0.00 H new ATOM 0 HB2 PHE A 26 94.212 -6.659 4.520 1.00 0.00 H new ATOM 0 HB3 PHE A 26 94.500 -6.200 2.853 1.00 0.00 H new ATOM 0 HD1 PHE A 26 95.126 -8.667 5.396 1.00 0.00 H new ATOM 0 HD2 PHE A 26 96.660 -7.070 1.715 1.00 0.00 H new ATOM 0 HE1 PHE A 26 96.461 -10.728 5.057 1.00 0.00 H new ATOM 0 HE2 PHE A 26 97.994 -9.133 1.376 1.00 0.00 H new ATOM 0 HZ PHE A 26 97.893 -10.964 3.046 1.00 0.00 H new ATOM 130 N ARG A 27 95.544 -4.253 2.122 1.00 0.00 N ATOM 131 CA ARG A 27 95.280 -3.127 1.237 1.00 0.00 C ATOM 132 C ARG A 27 93.867 -3.217 0.668 1.00 0.00 C ATOM 133 O ARG A 27 93.285 -4.302 0.590 1.00 0.00 O ATOM 134 CB ARG A 27 96.291 -3.117 0.091 1.00 0.00 C ATOM 135 CG ARG A 27 97.659 -3.563 0.610 1.00 0.00 C ATOM 136 CD ARG A 27 98.696 -3.430 -0.504 1.00 0.00 C ATOM 137 NE ARG A 27 99.813 -4.338 -0.259 1.00 0.00 N ATOM 138 CZ ARG A 27 100.737 -4.060 0.653 1.00 0.00 C ATOM 139 NH1 ARG A 27 101.727 -4.887 0.851 1.00 0.00 N ATOM 140 NH2 ARG A 27 100.654 -2.962 1.352 1.00 0.00 N ATOM 0 H ARG A 27 95.642 -5.151 1.648 1.00 0.00 H new ATOM 0 HA ARG A 27 95.373 -2.206 1.812 1.00 0.00 H new ATOM 0 HB2 ARG A 27 95.959 -3.782 -0.706 1.00 0.00 H new ATOM 0 HB3 ARG A 27 96.361 -2.117 -0.337 1.00 0.00 H new ATOM 0 HG2 ARG A 27 97.950 -2.955 1.467 1.00 0.00 H new ATOM 0 HG3 ARG A 27 97.610 -4.596 0.954 1.00 0.00 H new ATOM 0 HD2 ARG A 27 98.238 -3.656 -1.467 1.00 0.00 H new ATOM 0 HD3 ARG A 27 99.057 -2.403 -0.555 1.00 0.00 H new ATOM 0 HE ARG A 27 99.885 -5.201 -0.798 1.00 0.00 H new ATOM 0 HH11 ARG A 27 101.791 -5.746 0.305 1.00 0.00 H new ATOM 0 HH12 ARG A 27 102.437 -4.674 1.551 1.00 0.00 H new ATOM 0 HH21 ARG A 27 99.879 -2.317 1.198 1.00 0.00 H new ATOM 0 HH22 ARG A 27 101.364 -2.749 2.053 1.00 0.00 H new ATOM 154 N ALA A 28 93.323 -2.075 0.263 1.00 0.00 N ATOM 155 CA ALA A 28 91.983 -2.040 -0.310 1.00 0.00 C ATOM 156 C ALA A 28 91.808 -0.803 -1.184 1.00 0.00 C ATOM 157 O ALA A 28 92.278 0.282 -0.843 1.00 0.00 O ATOM 158 CB ALA A 28 90.937 -2.029 0.807 1.00 0.00 C ATOM 0 H ALA A 28 93.785 -1.168 0.320 1.00 0.00 H new ATOM 0 HA ALA A 28 91.848 -2.929 -0.925 1.00 0.00 H new ATOM 0 HB1 ALA A 28 89.939 -2.003 0.370 1.00 0.00 H new ATOM 0 HB2 ALA A 28 91.044 -2.928 1.414 1.00 0.00 H new ATOM 0 HB3 ALA A 28 91.082 -1.149 1.433 1.00 0.00 H new ATOM 164 N GLY A 29 91.124 -0.977 -2.307 1.00 0.00 N ATOM 165 CA GLY A 29 90.882 0.139 -3.224 1.00 0.00 C ATOM 166 C GLY A 29 89.432 0.598 -3.156 1.00 0.00 C ATOM 167 O GLY A 29 88.512 -0.214 -3.228 1.00 0.00 O ATOM 0 H GLY A 29 90.729 -1.868 -2.607 1.00 0.00 H new ATOM 0 HA2 GLY A 29 91.542 0.970 -2.973 1.00 0.00 H new ATOM 0 HA3 GLY A 29 91.124 -0.164 -4.243 1.00 0.00 H new ATOM 171 N LYS A 30 89.237 1.906 -3.039 1.00 0.00 N ATOM 172 CA LYS A 30 87.890 2.466 -2.980 1.00 0.00 C ATOM 173 C LYS A 30 87.349 2.707 -4.384 1.00 0.00 C ATOM 174 O LYS A 30 87.942 2.271 -5.371 1.00 0.00 O ATOM 175 CB LYS A 30 87.909 3.783 -2.200 1.00 0.00 C ATOM 176 CG LYS A 30 87.297 3.563 -0.815 1.00 0.00 C ATOM 177 CD LYS A 30 87.401 4.854 0.004 1.00 0.00 C ATOM 178 CE LYS A 30 86.230 5.779 -0.340 1.00 0.00 C ATOM 179 NZ LYS A 30 86.259 6.966 0.556 1.00 0.00 N ATOM 0 H LYS A 30 89.987 2.595 -2.983 1.00 0.00 H new ATOM 0 HA LYS A 30 87.239 1.754 -2.473 1.00 0.00 H new ATOM 0 HB2 LYS A 30 88.932 4.147 -2.104 1.00 0.00 H new ATOM 0 HB3 LYS A 30 87.349 4.546 -2.740 1.00 0.00 H new ATOM 0 HG2 LYS A 30 86.253 3.264 -0.911 1.00 0.00 H new ATOM 0 HG3 LYS A 30 87.815 2.752 -0.302 1.00 0.00 H new ATOM 0 HD2 LYS A 30 87.393 4.622 1.069 1.00 0.00 H new ATOM 0 HD3 LYS A 30 88.346 5.354 -0.206 1.00 0.00 H new ATOM 0 HE2 LYS A 30 86.295 6.094 -1.381 1.00 0.00 H new ATOM 0 HE3 LYS A 30 85.286 5.246 -0.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 85.464 7.596 0.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 86.178 6.656 1.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 87.155 7.477 0.426 1.00 0.00 H new ATOM 193 N MET A 31 86.220 3.403 -4.467 1.00 0.00 N ATOM 194 CA MET A 31 85.609 3.705 -5.756 1.00 0.00 C ATOM 195 C MET A 31 85.354 5.204 -5.888 1.00 0.00 C ATOM 196 O MET A 31 85.020 5.876 -4.912 1.00 0.00 O ATOM 197 CB MET A 31 84.293 2.945 -5.903 1.00 0.00 C ATOM 198 CG MET A 31 84.541 1.451 -5.695 1.00 0.00 C ATOM 199 SD MET A 31 83.273 0.499 -6.567 1.00 0.00 S ATOM 200 CE MET A 31 84.089 0.477 -8.186 1.00 0.00 C ATOM 0 H MET A 31 85.712 3.767 -3.661 1.00 0.00 H new ATOM 0 HA MET A 31 86.295 3.393 -6.544 1.00 0.00 H new ATOM 0 HB2 MET A 31 83.567 3.309 -5.175 1.00 0.00 H new ATOM 0 HB3 MET A 31 83.868 3.120 -6.891 1.00 0.00 H new ATOM 0 HG2 MET A 31 85.531 1.181 -6.064 1.00 0.00 H new ATOM 0 HG3 MET A 31 84.522 1.213 -4.631 1.00 0.00 H new ATOM 0 HE1 MET A 31 83.425 0.024 -8.922 1.00 0.00 H new ATOM 0 HE2 MET A 31 84.324 1.497 -8.489 1.00 0.00 H new ATOM 0 HE3 MET A 31 85.009 -0.103 -8.122 1.00 0.00 H new ATOM 210 N SER A 32 85.508 5.725 -7.105 1.00 0.00 N ATOM 211 CA SER A 32 85.292 7.142 -7.349 1.00 0.00 C ATOM 212 C SER A 32 83.804 7.423 -7.534 1.00 0.00 C ATOM 213 O SER A 32 83.166 6.856 -8.424 1.00 0.00 O ATOM 214 CB SER A 32 86.051 7.575 -8.603 1.00 0.00 C ATOM 215 OG SER A 32 85.788 8.947 -8.856 1.00 0.00 O ATOM 0 H SER A 32 85.780 5.188 -7.929 1.00 0.00 H new ATOM 0 HA SER A 32 85.658 7.705 -6.490 1.00 0.00 H new ATOM 0 HB2 SER A 32 87.121 7.416 -8.468 1.00 0.00 H new ATOM 0 HB3 SER A 32 85.744 6.970 -9.456 1.00 0.00 H new ATOM 0 HG SER A 32 86.628 9.451 -8.834 1.00 0.00 H new ATOM 221 N LEU A 33 83.266 8.299 -6.693 1.00 0.00 N ATOM 222 CA LEU A 33 81.856 8.656 -6.761 1.00 0.00 C ATOM 223 C LEU A 33 81.675 10.071 -7.295 1.00 0.00 C ATOM 224 O LEU A 33 81.999 11.044 -6.619 1.00 0.00 O ATOM 225 CB LEU A 33 81.216 8.546 -5.373 1.00 0.00 C ATOM 226 CG LEU A 33 80.197 7.403 -5.360 1.00 0.00 C ATOM 227 CD1 LEU A 33 79.082 7.700 -6.366 1.00 0.00 C ATOM 228 CD2 LEU A 33 80.896 6.096 -5.742 1.00 0.00 C ATOM 0 H LEU A 33 83.786 8.775 -5.956 1.00 0.00 H new ATOM 0 HA LEU A 33 81.366 7.962 -7.444 1.00 0.00 H new ATOM 0 HB2 LEU A 33 81.985 8.368 -4.621 1.00 0.00 H new ATOM 0 HB3 LEU A 33 80.727 9.485 -5.113 1.00 0.00 H new ATOM 0 HG LEU A 33 79.768 7.309 -4.362 1.00 0.00 H new ATOM 0 HD11 LEU A 33 78.357 6.886 -6.356 1.00 0.00 H new ATOM 0 HD12 LEU A 33 78.585 8.632 -6.094 1.00 0.00 H new ATOM 0 HD13 LEU A 33 79.509 7.794 -7.365 1.00 0.00 H new ATOM 0 HD21 LEU A 33 80.173 5.281 -5.733 1.00 0.00 H new ATOM 0 HD22 LEU A 33 81.324 6.191 -6.740 1.00 0.00 H new ATOM 0 HD23 LEU A 33 81.689 5.885 -5.025 1.00 0.00 H new ATOM 240 N LYS A 34 81.161 10.176 -8.517 1.00 0.00 N ATOM 241 CA LYS A 34 80.950 11.475 -9.138 1.00 0.00 C ATOM 242 C LYS A 34 79.714 11.448 -10.032 1.00 0.00 C ATOM 243 O LYS A 34 79.576 10.573 -10.881 1.00 0.00 O ATOM 244 CB LYS A 34 82.178 11.861 -9.966 1.00 0.00 C ATOM 245 CG LYS A 34 83.061 10.632 -10.195 1.00 0.00 C ATOM 246 CD LYS A 34 83.968 10.865 -11.399 1.00 0.00 C ATOM 247 CE LYS A 34 85.084 9.817 -11.406 1.00 0.00 C ATOM 248 NZ LYS A 34 85.532 9.579 -12.806 1.00 0.00 N ATOM 0 H LYS A 34 80.885 9.380 -9.092 1.00 0.00 H new ATOM 0 HA LYS A 34 80.796 12.214 -8.352 1.00 0.00 H new ATOM 0 HB2 LYS A 34 81.865 12.278 -10.923 1.00 0.00 H new ATOM 0 HB3 LYS A 34 82.745 12.636 -9.451 1.00 0.00 H new ATOM 0 HG2 LYS A 34 83.663 10.435 -9.308 1.00 0.00 H new ATOM 0 HG3 LYS A 34 82.440 9.752 -10.361 1.00 0.00 H new ATOM 0 HD2 LYS A 34 83.390 10.803 -12.321 1.00 0.00 H new ATOM 0 HD3 LYS A 34 84.395 11.867 -11.358 1.00 0.00 H new ATOM 0 HE2 LYS A 34 85.922 10.158 -10.798 1.00 0.00 H new ATOM 0 HE3 LYS A 34 84.727 8.887 -10.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 86.290 8.867 -12.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 84.731 9.236 -13.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 85.888 10.468 -13.212 1.00 0.00 H new ATOM 262 N GLY A 35 78.820 12.414 -9.832 1.00 0.00 N ATOM 263 CA GLY A 35 77.600 12.493 -10.631 1.00 0.00 C ATOM 264 C GLY A 35 77.048 11.101 -10.921 1.00 0.00 C ATOM 265 O GLY A 35 76.956 10.687 -12.075 1.00 0.00 O ATOM 0 H GLY A 35 78.916 13.147 -9.129 1.00 0.00 H new ATOM 0 HA2 GLY A 35 76.851 13.082 -10.102 1.00 0.00 H new ATOM 0 HA3 GLY A 35 77.807 13.009 -11.569 1.00 0.00 H new ATOM 269 N THR A 36 76.723 10.368 -9.863 1.00 0.00 N ATOM 270 CA THR A 36 76.224 9.006 -10.007 1.00 0.00 C ATOM 271 C THR A 36 77.144 8.207 -10.936 1.00 0.00 C ATOM 272 O THR A 36 76.721 7.705 -11.978 1.00 0.00 O ATOM 273 CB THR A 36 74.808 9.031 -10.588 1.00 0.00 C ATOM 274 OG1 THR A 36 74.671 10.151 -11.455 1.00 0.00 O ATOM 275 CG2 THR A 36 73.790 9.130 -9.454 1.00 0.00 C ATOM 0 H THR A 36 76.796 10.693 -8.899 1.00 0.00 H new ATOM 0 HA THR A 36 76.204 8.531 -9.026 1.00 0.00 H new ATOM 0 HB THR A 36 74.630 8.114 -11.151 1.00 0.00 H new ATOM 0 HG1 THR A 36 75.351 10.105 -12.159 1.00 0.00 H new ATOM 0 HG21 THR A 36 72.783 9.148 -9.870 1.00 0.00 H new ATOM 0 HG22 THR A 36 73.895 8.269 -8.794 1.00 0.00 H new ATOM 0 HG23 THR A 36 73.965 10.044 -8.887 1.00 0.00 H new ATOM 283 N THR A 37 78.394 8.049 -10.522 1.00 0.00 N ATOM 284 CA THR A 37 79.358 7.275 -11.305 1.00 0.00 C ATOM 285 C THR A 37 80.323 6.547 -10.378 1.00 0.00 C ATOM 286 O THR A 37 80.942 7.163 -9.517 1.00 0.00 O ATOM 287 CB THR A 37 80.136 8.192 -12.246 1.00 0.00 C ATOM 288 OG1 THR A 37 79.221 9.017 -12.953 1.00 0.00 O ATOM 289 CG2 THR A 37 80.934 7.349 -13.234 1.00 0.00 C ATOM 0 H THR A 37 78.766 8.441 -9.657 1.00 0.00 H new ATOM 0 HA THR A 37 78.813 6.541 -11.899 1.00 0.00 H new ATOM 0 HB THR A 37 80.821 8.815 -11.670 1.00 0.00 H new ATOM 0 HG1 THR A 37 78.955 9.771 -12.386 1.00 0.00 H new ATOM 0 HG21 THR A 37 81.489 8.004 -13.906 1.00 0.00 H new ATOM 0 HG22 THR A 37 81.631 6.713 -12.689 1.00 0.00 H new ATOM 0 HG23 THR A 37 80.253 6.727 -13.815 1.00 0.00 H new ATOM 297 N VAL A 38 80.431 5.238 -10.545 1.00 0.00 N ATOM 298 CA VAL A 38 81.304 4.436 -9.688 1.00 0.00 C ATOM 299 C VAL A 38 82.394 3.762 -10.507 1.00 0.00 C ATOM 300 O VAL A 38 82.122 2.803 -11.224 1.00 0.00 O ATOM 301 CB VAL A 38 80.474 3.373 -8.971 1.00 0.00 C ATOM 302 CG1 VAL A 38 81.332 2.673 -7.915 1.00 0.00 C ATOM 303 CG2 VAL A 38 79.269 4.025 -8.295 1.00 0.00 C ATOM 0 H VAL A 38 79.931 4.708 -11.259 1.00 0.00 H new ATOM 0 HA VAL A 38 81.776 5.094 -8.958 1.00 0.00 H new ATOM 0 HB VAL A 38 80.127 2.641 -9.701 1.00 0.00 H new ATOM 0 HG11 VAL A 38 80.736 1.915 -7.406 1.00 0.00 H new ATOM 0 HG12 VAL A 38 82.187 2.199 -8.397 1.00 0.00 H new ATOM 0 HG13 VAL A 38 81.685 3.405 -7.189 1.00 0.00 H new ATOM 0 HG21 VAL A 38 78.681 3.262 -7.785 1.00 0.00 H new ATOM 0 HG22 VAL A 38 79.613 4.762 -7.570 1.00 0.00 H new ATOM 0 HG23 VAL A 38 78.652 4.517 -9.047 1.00 0.00 H new ATOM 313 N THR A 39 83.622 4.260 -10.369 1.00 0.00 N ATOM 314 CA THR A 39 84.743 3.688 -11.092 1.00 0.00 C ATOM 315 C THR A 39 85.912 3.428 -10.147 1.00 0.00 C ATOM 316 O THR A 39 85.913 3.886 -9.005 1.00 0.00 O ATOM 317 CB THR A 39 85.191 4.630 -12.198 1.00 0.00 C ATOM 318 OG1 THR A 39 86.451 5.199 -11.867 1.00 0.00 O ATOM 319 CG2 THR A 39 84.159 5.744 -12.374 1.00 0.00 C ATOM 0 H THR A 39 83.859 5.050 -9.769 1.00 0.00 H new ATOM 0 HA THR A 39 84.420 2.743 -11.529 1.00 0.00 H new ATOM 0 HB THR A 39 85.283 4.069 -13.128 1.00 0.00 H new ATOM 0 HG1 THR A 39 86.735 5.804 -12.584 1.00 0.00 H new ATOM 0 HG21 THR A 39 84.483 6.418 -13.167 1.00 0.00 H new ATOM 0 HG22 THR A 39 83.195 5.309 -12.638 1.00 0.00 H new ATOM 0 HG23 THR A 39 84.062 6.301 -11.442 1.00 0.00 H new ATOM 327 N PRO A 40 86.904 2.714 -10.601 1.00 0.00 N ATOM 328 CA PRO A 40 88.108 2.397 -9.781 1.00 0.00 C ATOM 329 C PRO A 40 88.753 3.654 -9.198 1.00 0.00 C ATOM 330 O PRO A 40 89.067 4.597 -9.927 1.00 0.00 O ATOM 331 CB PRO A 40 89.056 1.717 -10.779 1.00 0.00 C ATOM 332 CG PRO A 40 88.176 1.182 -11.855 1.00 0.00 C ATOM 333 CD PRO A 40 86.988 2.118 -11.939 1.00 0.00 C ATOM 0 HA PRO A 40 87.864 1.774 -8.920 1.00 0.00 H new ATOM 0 HB2 PRO A 40 89.780 2.426 -11.180 1.00 0.00 H new ATOM 0 HB3 PRO A 40 89.623 0.918 -10.301 1.00 0.00 H new ATOM 0 HG2 PRO A 40 88.706 1.141 -12.806 1.00 0.00 H new ATOM 0 HG3 PRO A 40 87.855 0.166 -11.625 1.00 0.00 H new ATOM 0 HD2 PRO A 40 87.134 2.879 -12.706 1.00 0.00 H new ATOM 0 HD3 PRO A 40 86.075 1.580 -12.194 1.00 0.00 H new ATOM 341 N ASP A 41 88.958 3.652 -7.886 1.00 0.00 N ATOM 342 CA ASP A 41 89.573 4.796 -7.217 1.00 0.00 C ATOM 343 C ASP A 41 91.091 4.736 -7.348 1.00 0.00 C ATOM 344 O ASP A 41 91.746 3.903 -6.723 1.00 0.00 O ATOM 345 CB ASP A 41 89.188 4.806 -5.736 1.00 0.00 C ATOM 346 CG ASP A 41 89.810 6.009 -5.041 1.00 0.00 C ATOM 347 OD1 ASP A 41 90.570 6.710 -5.685 1.00 0.00 O ATOM 348 OD2 ASP A 41 89.522 6.207 -3.872 1.00 0.00 O ATOM 0 H ASP A 41 88.711 2.879 -7.268 1.00 0.00 H new ATOM 0 HA ASP A 41 89.212 5.709 -7.691 1.00 0.00 H new ATOM 0 HB2 ASP A 41 88.103 4.839 -5.635 1.00 0.00 H new ATOM 0 HB3 ASP A 41 89.525 3.886 -5.259 1.00 0.00 H new ATOM 353 N LYS A 42 91.644 5.629 -8.163 1.00 0.00 N ATOM 354 CA LYS A 42 93.086 5.666 -8.370 1.00 0.00 C ATOM 355 C LYS A 42 93.812 5.835 -7.041 1.00 0.00 C ATOM 356 O LYS A 42 94.997 5.521 -6.926 1.00 0.00 O ATOM 357 CB LYS A 42 93.448 6.824 -9.305 1.00 0.00 C ATOM 358 CG LYS A 42 93.022 8.150 -8.668 1.00 0.00 C ATOM 359 CD LYS A 42 93.364 9.306 -9.611 1.00 0.00 C ATOM 360 CE LYS A 42 92.221 9.513 -10.607 1.00 0.00 C ATOM 361 NZ LYS A 42 92.539 10.665 -11.494 1.00 0.00 N ATOM 0 H LYS A 42 91.120 6.331 -8.686 1.00 0.00 H new ATOM 0 HA LYS A 42 93.396 4.724 -8.822 1.00 0.00 H new ATOM 0 HB2 LYS A 42 94.521 6.829 -9.496 1.00 0.00 H new ATOM 0 HB3 LYS A 42 92.953 6.696 -10.268 1.00 0.00 H new ATOM 0 HG2 LYS A 42 91.952 8.139 -8.463 1.00 0.00 H new ATOM 0 HG3 LYS A 42 93.528 8.285 -7.712 1.00 0.00 H new ATOM 0 HD2 LYS A 42 93.530 10.218 -9.038 1.00 0.00 H new ATOM 0 HD3 LYS A 42 94.290 9.091 -10.144 1.00 0.00 H new ATOM 0 HE2 LYS A 42 92.075 8.611 -11.202 1.00 0.00 H new ATOM 0 HE3 LYS A 42 91.288 9.697 -10.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 91.763 10.806 -12.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 92.657 11.523 -10.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 93.420 10.471 -12.012 1.00 0.00 H new ATOM 375 N ARG A 43 93.095 6.337 -6.041 1.00 0.00 N ATOM 376 CA ARG A 43 93.689 6.544 -4.725 1.00 0.00 C ATOM 377 C ARG A 43 93.577 5.272 -3.889 1.00 0.00 C ATOM 378 O ARG A 43 92.528 4.991 -3.306 1.00 0.00 O ATOM 379 CB ARG A 43 92.973 7.691 -4.005 1.00 0.00 C ATOM 380 CG ARG A 43 93.773 8.093 -2.762 1.00 0.00 C ATOM 381 CD ARG A 43 93.016 9.180 -1.999 1.00 0.00 C ATOM 382 NE ARG A 43 92.793 10.338 -2.862 1.00 0.00 N ATOM 383 CZ ARG A 43 91.629 10.526 -3.479 1.00 0.00 C ATOM 384 NH1 ARG A 43 91.455 11.570 -4.240 1.00 0.00 N ATOM 385 NH2 ARG A 43 90.660 9.661 -3.329 1.00 0.00 N ATOM 0 H ARG A 43 92.114 6.605 -6.114 1.00 0.00 H new ATOM 0 HA ARG A 43 94.742 6.796 -4.853 1.00 0.00 H new ATOM 0 HB2 ARG A 43 92.867 8.545 -4.674 1.00 0.00 H new ATOM 0 HB3 ARG A 43 91.967 7.383 -3.719 1.00 0.00 H new ATOM 0 HG2 ARG A 43 93.930 7.226 -2.121 1.00 0.00 H new ATOM 0 HG3 ARG A 43 94.759 8.457 -3.053 1.00 0.00 H new ATOM 0 HD2 ARG A 43 92.061 8.790 -1.647 1.00 0.00 H new ATOM 0 HD3 ARG A 43 93.583 9.478 -1.117 1.00 0.00 H new ATOM 0 HE ARG A 43 93.544 11.015 -2.994 1.00 0.00 H new ATOM 0 HH11 ARG A 43 92.211 12.243 -4.363 1.00 0.00 H new ATOM 0 HH12 ARG A 43 90.563 11.714 -4.713 1.00 0.00 H new ATOM 0 HH21 ARG A 43 90.796 8.841 -2.738 1.00 0.00 H new ATOM 0 HH22 ARG A 43 89.768 9.807 -3.803 1.00 0.00 H new ATOM 399 N LYS A 44 94.667 4.516 -3.825 1.00 0.00 N ATOM 400 CA LYS A 44 94.685 3.281 -3.049 1.00 0.00 C ATOM 401 C LYS A 44 94.858 3.587 -1.563 1.00 0.00 C ATOM 402 O LYS A 44 95.618 4.484 -1.183 1.00 0.00 O ATOM 403 CB LYS A 44 95.826 2.379 -3.524 1.00 0.00 C ATOM 404 CG LYS A 44 97.051 3.235 -3.849 1.00 0.00 C ATOM 405 CD LYS A 44 98.268 2.331 -4.041 1.00 0.00 C ATOM 406 CE LYS A 44 99.189 2.930 -5.104 1.00 0.00 C ATOM 407 NZ LYS A 44 99.652 4.277 -4.663 1.00 0.00 N ATOM 0 H LYS A 44 95.544 4.734 -4.297 1.00 0.00 H new ATOM 0 HA LYS A 44 93.735 2.768 -3.196 1.00 0.00 H new ATOM 0 HB2 LYS A 44 96.073 1.650 -2.752 1.00 0.00 H new ATOM 0 HB3 LYS A 44 95.517 1.818 -4.406 1.00 0.00 H new ATOM 0 HG2 LYS A 44 96.871 3.818 -4.752 1.00 0.00 H new ATOM 0 HG3 LYS A 44 97.236 3.945 -3.043 1.00 0.00 H new ATOM 0 HD2 LYS A 44 98.805 2.223 -3.099 1.00 0.00 H new ATOM 0 HD3 LYS A 44 97.949 1.333 -4.342 1.00 0.00 H new ATOM 0 HE2 LYS A 44 100.045 2.276 -5.268 1.00 0.00 H new ATOM 0 HE3 LYS A 44 98.661 3.009 -6.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 100.439 4.588 -5.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 98.868 4.956 -4.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 99.972 4.228 -3.675 1.00 0.00 H new ATOM 421 N GLY A 45 94.146 2.838 -0.727 1.00 0.00 N ATOM 422 CA GLY A 45 94.221 3.040 0.717 1.00 0.00 C ATOM 423 C GLY A 45 94.592 1.755 1.435 1.00 0.00 C ATOM 424 O GLY A 45 94.753 0.709 0.805 1.00 0.00 O ATOM 0 H GLY A 45 93.516 2.092 -1.020 1.00 0.00 H new ATOM 0 HA2 GLY A 45 94.959 3.810 0.941 1.00 0.00 H new ATOM 0 HA3 GLY A 45 93.261 3.401 1.086 1.00 0.00 H new ATOM 428 N LEU A 46 94.720 1.843 2.758 1.00 0.00 N ATOM 429 CA LEU A 46 95.070 0.672 3.551 1.00 0.00 C ATOM 430 C LEU A 46 94.010 0.397 4.605 1.00 0.00 C ATOM 431 O LEU A 46 93.614 1.297 5.344 1.00 0.00 O ATOM 432 CB LEU A 46 96.430 0.882 4.228 1.00 0.00 C ATOM 433 CG LEU A 46 97.165 -0.457 4.369 1.00 0.00 C ATOM 434 CD1 LEU A 46 98.669 -0.220 4.308 1.00 0.00 C ATOM 435 CD2 LEU A 46 96.798 -1.099 5.707 1.00 0.00 C ATOM 0 H LEU A 46 94.588 2.700 3.294 1.00 0.00 H new ATOM 0 HA LEU A 46 95.128 -0.187 2.883 1.00 0.00 H new ATOM 0 HB2 LEU A 46 97.033 1.576 3.642 1.00 0.00 H new ATOM 0 HB3 LEU A 46 96.289 1.333 5.210 1.00 0.00 H new ATOM 0 HG LEU A 46 96.872 -1.122 3.557 1.00 0.00 H new ATOM 0 HD11 LEU A 46 99.192 -1.171 4.408 1.00 0.00 H new ATOM 0 HD12 LEU A 46 98.927 0.237 3.353 1.00 0.00 H new ATOM 0 HD13 LEU A 46 98.966 0.444 5.120 1.00 0.00 H new ATOM 0 HD21 LEU A 46 97.319 -2.051 5.809 1.00 0.00 H new ATOM 0 HD22 LEU A 46 97.091 -0.436 6.521 1.00 0.00 H new ATOM 0 HD23 LEU A 46 95.722 -1.269 5.746 1.00 0.00 H new ATOM 447 N VAL A 47 93.550 -0.850 4.668 1.00 0.00 N ATOM 448 CA VAL A 47 92.526 -1.224 5.635 1.00 0.00 C ATOM 449 C VAL A 47 93.157 -1.888 6.855 1.00 0.00 C ATOM 450 O VAL A 47 93.776 -2.946 6.744 1.00 0.00 O ATOM 451 CB VAL A 47 91.527 -2.189 4.989 1.00 0.00 C ATOM 452 CG1 VAL A 47 92.240 -3.484 4.602 1.00 0.00 C ATOM 453 CG2 VAL A 47 90.403 -2.504 5.979 1.00 0.00 C ATOM 0 H VAL A 47 93.867 -1.611 4.067 1.00 0.00 H new ATOM 0 HA VAL A 47 92.007 -0.320 5.954 1.00 0.00 H new ATOM 0 HB VAL A 47 91.106 -1.726 4.097 1.00 0.00 H new ATOM 0 HG11 VAL A 47 91.527 -4.169 4.143 1.00 0.00 H new ATOM 0 HG12 VAL A 47 93.038 -3.262 3.894 1.00 0.00 H new ATOM 0 HG13 VAL A 47 92.664 -3.946 5.493 1.00 0.00 H new ATOM 0 HG21 VAL A 47 89.693 -3.191 5.517 1.00 0.00 H new ATOM 0 HG22 VAL A 47 90.824 -2.964 6.873 1.00 0.00 H new ATOM 0 HG23 VAL A 47 89.890 -1.582 6.253 1.00 0.00 H new ATOM 463 N TYR A 48 92.984 -1.263 8.018 1.00 0.00 N ATOM 464 CA TYR A 48 93.528 -1.806 9.253 1.00 0.00 C ATOM 465 C TYR A 48 92.436 -1.926 10.309 1.00 0.00 C ATOM 466 O TYR A 48 91.778 -0.942 10.651 1.00 0.00 O ATOM 467 CB TYR A 48 94.650 -0.903 9.769 1.00 0.00 C ATOM 468 CG TYR A 48 94.844 -1.135 11.249 1.00 0.00 C ATOM 469 CD1 TYR A 48 94.852 -2.439 11.763 1.00 0.00 C ATOM 470 CD2 TYR A 48 95.011 -0.046 12.110 1.00 0.00 C ATOM 471 CE1 TYR A 48 95.032 -2.651 13.127 1.00 0.00 C ATOM 472 CE2 TYR A 48 95.189 -0.259 13.482 1.00 0.00 C ATOM 473 CZ TYR A 48 95.197 -1.560 13.991 1.00 0.00 C ATOM 474 OH TYR A 48 95.384 -1.765 15.344 1.00 0.00 O ATOM 0 H TYR A 48 92.474 -0.386 8.127 1.00 0.00 H new ATOM 0 HA TYR A 48 93.929 -2.799 9.050 1.00 0.00 H new ATOM 0 HB2 TYR A 48 95.576 -1.113 9.233 1.00 0.00 H new ATOM 0 HB3 TYR A 48 94.404 0.143 9.583 1.00 0.00 H new ATOM 0 HD1 TYR A 48 94.718 -3.281 11.100 1.00 0.00 H new ATOM 0 HD2 TYR A 48 95.003 0.960 11.716 1.00 0.00 H new ATOM 0 HE1 TYR A 48 95.045 -3.657 13.520 1.00 0.00 H new ATOM 0 HE2 TYR A 48 95.320 0.582 14.147 1.00 0.00 H new ATOM 0 HH TYR A 48 95.482 -0.901 15.795 1.00 0.00 H new ATOM 484 N ILE A 49 92.242 -3.142 10.811 1.00 0.00 N ATOM 485 CA ILE A 49 91.210 -3.387 11.812 1.00 0.00 C ATOM 486 C ILE A 49 91.805 -4.071 13.043 1.00 0.00 C ATOM 487 O ILE A 49 92.592 -5.012 12.924 1.00 0.00 O ATOM 488 CB ILE A 49 90.109 -4.266 11.220 1.00 0.00 C ATOM 489 CG1 ILE A 49 89.593 -3.633 9.923 1.00 0.00 C ATOM 490 CG2 ILE A 49 88.948 -4.389 12.210 1.00 0.00 C ATOM 491 CD1 ILE A 49 88.504 -4.522 9.315 1.00 0.00 C ATOM 0 H ILE A 49 92.781 -3.966 10.544 1.00 0.00 H new ATOM 0 HA ILE A 49 90.788 -2.428 12.113 1.00 0.00 H new ATOM 0 HB ILE A 49 90.517 -5.256 11.015 1.00 0.00 H new ATOM 0 HG12 ILE A 49 89.194 -2.639 10.125 1.00 0.00 H new ATOM 0 HG13 ILE A 49 90.413 -3.510 9.215 1.00 0.00 H new ATOM 0 HG21 ILE A 49 88.168 -5.017 11.780 1.00 0.00 H new ATOM 0 HG22 ILE A 49 89.306 -4.838 13.136 1.00 0.00 H new ATOM 0 HG23 ILE A 49 88.542 -3.399 12.420 1.00 0.00 H new ATOM 0 HD11 ILE A 49 88.138 -4.070 8.393 1.00 0.00 H new ATOM 0 HD12 ILE A 49 88.918 -5.507 9.098 1.00 0.00 H new ATOM 0 HD13 ILE A 49 87.680 -4.623 10.021 1.00 0.00 H new ATOM 503 N GLN A 50 91.403 -3.601 14.220 1.00 0.00 N ATOM 504 CA GLN A 50 91.879 -4.184 15.465 1.00 0.00 C ATOM 505 C GLN A 50 90.741 -4.315 16.473 1.00 0.00 C ATOM 506 O GLN A 50 89.852 -3.471 16.531 1.00 0.00 O ATOM 507 CB GLN A 50 92.994 -3.316 16.052 1.00 0.00 C ATOM 508 CG GLN A 50 93.214 -3.680 17.524 1.00 0.00 C ATOM 509 CD GLN A 50 92.290 -2.852 18.413 1.00 0.00 C ATOM 510 OE1 GLN A 50 91.333 -2.146 17.871 1.00 0.00 O flip ATOM 511 NE2 GLN A 50 92.435 -2.859 19.632 1.00 0.00 N flip ATOM 0 H GLN A 50 90.753 -2.823 14.335 1.00 0.00 H new ATOM 0 HA GLN A 50 92.268 -5.180 15.252 1.00 0.00 H new ATOM 0 HB2 GLN A 50 93.916 -3.463 15.490 1.00 0.00 H new ATOM 0 HB3 GLN A 50 92.731 -2.262 15.964 1.00 0.00 H new ATOM 0 HG2 GLN A 50 93.022 -4.742 17.677 1.00 0.00 H new ATOM 0 HG3 GLN A 50 94.253 -3.501 17.800 1.00 0.00 H new ATOM 0 HE21 GLN A 50 93.182 -3.411 20.054 1.00 0.00 H new ATOM 0 HE22 GLN A 50 91.808 -2.313 20.223 1.00 0.00 H new ATOM 520 N GLN A 51 90.777 -5.380 17.268 1.00 0.00 N ATOM 521 CA GLN A 51 89.751 -5.607 18.275 1.00 0.00 C ATOM 522 C GLN A 51 90.136 -4.944 19.597 1.00 0.00 C ATOM 523 O GLN A 51 91.226 -5.165 20.121 1.00 0.00 O ATOM 524 CB GLN A 51 89.559 -7.106 18.493 1.00 0.00 C ATOM 525 CG GLN A 51 88.240 -7.349 19.233 1.00 0.00 C ATOM 526 CD GLN A 51 88.455 -8.352 20.364 1.00 0.00 C ATOM 527 OE1 GLN A 51 88.955 -9.455 20.132 1.00 0.00 O ATOM 528 NE2 GLN A 51 88.110 -8.032 21.581 1.00 0.00 N ATOM 0 H GLN A 51 91.503 -6.096 17.233 1.00 0.00 H new ATOM 0 HA GLN A 51 88.819 -5.167 17.921 1.00 0.00 H new ATOM 0 HB2 GLN A 51 89.552 -7.626 17.535 1.00 0.00 H new ATOM 0 HB3 GLN A 51 90.391 -7.510 19.069 1.00 0.00 H new ATOM 0 HG2 GLN A 51 87.861 -6.410 19.636 1.00 0.00 H new ATOM 0 HG3 GLN A 51 87.488 -7.726 18.540 1.00 0.00 H new ATOM 0 HE21 GLN A 51 87.697 -7.119 21.771 1.00 0.00 H new ATOM 0 HE22 GLN A 51 88.254 -8.695 22.343 1.00 0.00 H new ATOM 537 N THR A 52 89.232 -4.132 20.129 1.00 0.00 N ATOM 538 CA THR A 52 89.478 -3.440 21.388 1.00 0.00 C ATOM 539 C THR A 52 89.047 -4.308 22.566 1.00 0.00 C ATOM 540 O THR A 52 88.219 -5.205 22.423 1.00 0.00 O ATOM 541 CB THR A 52 88.717 -2.113 21.420 1.00 0.00 C ATOM 542 OG1 THR A 52 88.981 -1.388 20.227 1.00 0.00 O ATOM 543 CG2 THR A 52 89.172 -1.291 22.627 1.00 0.00 C ATOM 0 H THR A 52 88.323 -3.936 19.709 1.00 0.00 H new ATOM 0 HA THR A 52 90.547 -3.241 21.468 1.00 0.00 H new ATOM 0 HB THR A 52 87.648 -2.310 21.498 1.00 0.00 H new ATOM 0 HG1 THR A 52 88.460 -1.770 19.490 1.00 0.00 H new ATOM 0 HG21 THR A 52 88.629 -0.346 22.649 1.00 0.00 H new ATOM 0 HG22 THR A 52 88.970 -1.847 23.543 1.00 0.00 H new ATOM 0 HG23 THR A 52 90.241 -1.094 22.551 1.00 0.00 H new ATOM 551 N ASP A 53 89.609 -4.031 23.734 1.00 0.00 N ATOM 552 CA ASP A 53 89.274 -4.793 24.931 1.00 0.00 C ATOM 553 C ASP A 53 87.785 -4.694 25.237 1.00 0.00 C ATOM 554 O ASP A 53 87.163 -5.668 25.662 1.00 0.00 O ATOM 555 CB ASP A 53 90.077 -4.272 26.129 1.00 0.00 C ATOM 556 CG ASP A 53 91.536 -4.692 26.004 1.00 0.00 C ATOM 557 OD1 ASP A 53 91.830 -5.492 25.132 1.00 0.00 O ATOM 558 OD2 ASP A 53 92.337 -4.222 26.795 1.00 0.00 O ATOM 0 H ASP A 53 90.294 -3.290 23.879 1.00 0.00 H new ATOM 0 HA ASP A 53 89.526 -5.838 24.749 1.00 0.00 H new ATOM 0 HB2 ASP A 53 90.006 -3.185 26.179 1.00 0.00 H new ATOM 0 HB3 ASP A 53 89.656 -4.662 27.056 1.00 0.00 H new ATOM 563 N ASP A 54 87.218 -3.515 25.012 1.00 0.00 N ATOM 564 CA ASP A 54 85.799 -3.301 25.263 1.00 0.00 C ATOM 565 C ASP A 54 84.957 -4.214 24.385 1.00 0.00 C ATOM 566 O ASP A 54 83.730 -4.188 24.459 1.00 0.00 O ATOM 567 CB ASP A 54 85.430 -1.843 24.982 1.00 0.00 C ATOM 568 CG ASP A 54 85.698 -0.990 26.217 1.00 0.00 C ATOM 569 OD1 ASP A 54 86.796 -0.469 26.326 1.00 0.00 O ATOM 570 OD2 ASP A 54 84.804 -0.875 27.038 1.00 0.00 O ATOM 0 H ASP A 54 87.715 -2.698 24.659 1.00 0.00 H new ATOM 0 HA ASP A 54 85.598 -3.532 26.309 1.00 0.00 H new ATOM 0 HB2 ASP A 54 86.010 -1.469 24.138 1.00 0.00 H new ATOM 0 HB3 ASP A 54 84.379 -1.773 24.702 1.00 0.00 H new ATOM 575 N SER A 55 85.622 -5.012 23.551 1.00 0.00 N ATOM 576 CA SER A 55 84.924 -5.933 22.660 1.00 0.00 C ATOM 577 C SER A 55 84.468 -5.211 21.398 1.00 0.00 C ATOM 578 O SER A 55 83.590 -5.692 20.682 1.00 0.00 O ATOM 579 CB SER A 55 83.712 -6.539 23.372 1.00 0.00 C ATOM 580 OG SER A 55 82.572 -5.725 23.134 1.00 0.00 O ATOM 0 H SER A 55 86.639 -5.038 23.475 1.00 0.00 H new ATOM 0 HA SER A 55 85.613 -6.730 22.382 1.00 0.00 H new ATOM 0 HB2 SER A 55 83.532 -7.551 23.010 1.00 0.00 H new ATOM 0 HB3 SER A 55 83.904 -6.612 24.443 1.00 0.00 H new ATOM 0 HG SER A 55 82.624 -4.919 23.689 1.00 0.00 H new ATOM 586 N LEU A 56 85.070 -4.055 21.135 1.00 0.00 N ATOM 587 CA LEU A 56 84.717 -3.272 19.954 1.00 0.00 C ATOM 588 C LEU A 56 85.835 -3.328 18.920 1.00 0.00 C ATOM 589 O LEU A 56 87.001 -3.453 19.267 1.00 0.00 O ATOM 590 CB LEU A 56 84.460 -1.817 20.348 1.00 0.00 C ATOM 591 CG LEU A 56 83.026 -1.672 20.858 1.00 0.00 C ATOM 592 CD1 LEU A 56 82.832 -2.542 22.100 1.00 0.00 C ATOM 593 CD2 LEU A 56 82.759 -0.208 21.213 1.00 0.00 C ATOM 0 H LEU A 56 85.798 -3.642 21.718 1.00 0.00 H new ATOM 0 HA LEU A 56 83.812 -3.696 19.519 1.00 0.00 H new ATOM 0 HB2 LEU A 56 85.165 -1.508 21.120 1.00 0.00 H new ATOM 0 HB3 LEU A 56 84.620 -1.163 19.491 1.00 0.00 H new ATOM 0 HG LEU A 56 82.331 -1.992 20.082 1.00 0.00 H new ATOM 0 HD11 LEU A 56 81.809 -2.437 22.462 1.00 0.00 H new ATOM 0 HD12 LEU A 56 83.022 -3.585 21.847 1.00 0.00 H new ATOM 0 HD13 LEU A 56 83.526 -2.225 22.878 1.00 0.00 H new ATOM 0 HD21 LEU A 56 81.737 -0.102 21.577 1.00 0.00 H new ATOM 0 HD22 LEU A 56 83.455 0.111 21.989 1.00 0.00 H new ATOM 0 HD23 LEU A 56 82.894 0.412 20.327 1.00 0.00 H new ATOM 605 N ILE A 57 85.467 -3.238 17.648 1.00 0.00 N ATOM 606 CA ILE A 57 86.450 -3.278 16.570 1.00 0.00 C ATOM 607 C ILE A 57 86.742 -1.872 16.062 1.00 0.00 C ATOM 608 O ILE A 57 85.830 -1.118 15.734 1.00 0.00 O ATOM 609 CB ILE A 57 85.933 -4.151 15.423 1.00 0.00 C ATOM 610 CG1 ILE A 57 86.242 -5.623 15.720 1.00 0.00 C ATOM 611 CG2 ILE A 57 86.618 -3.742 14.120 1.00 0.00 C ATOM 612 CD1 ILE A 57 85.763 -5.976 17.128 1.00 0.00 C ATOM 0 H ILE A 57 84.501 -3.137 17.338 1.00 0.00 H new ATOM 0 HA ILE A 57 87.374 -3.707 16.958 1.00 0.00 H new ATOM 0 HB ILE A 57 84.856 -4.018 15.325 1.00 0.00 H new ATOM 0 HG12 ILE A 57 85.750 -6.263 14.987 1.00 0.00 H new ATOM 0 HG13 ILE A 57 87.313 -5.804 15.634 1.00 0.00 H new ATOM 0 HG21 ILE A 57 86.249 -4.364 13.304 1.00 0.00 H new ATOM 0 HG22 ILE A 57 86.399 -2.696 13.906 1.00 0.00 H new ATOM 0 HG23 ILE A 57 87.696 -3.874 14.218 1.00 0.00 H new ATOM 0 HD11 ILE A 57 85.984 -7.023 17.336 1.00 0.00 H new ATOM 0 HD12 ILE A 57 86.275 -5.346 17.855 1.00 0.00 H new ATOM 0 HD13 ILE A 57 84.688 -5.811 17.198 1.00 0.00 H new ATOM 624 N HIS A 58 88.027 -1.533 15.987 1.00 0.00 N ATOM 625 CA HIS A 58 88.431 -0.217 15.508 1.00 0.00 C ATOM 626 C HIS A 58 88.744 -0.263 14.016 1.00 0.00 C ATOM 627 O HIS A 58 89.657 -0.969 13.586 1.00 0.00 O ATOM 628 CB HIS A 58 89.663 0.262 16.275 1.00 0.00 C ATOM 629 CG HIS A 58 89.602 1.755 16.440 1.00 0.00 C ATOM 630 ND1 HIS A 58 89.779 2.370 17.669 1.00 0.00 N ATOM 631 CD2 HIS A 58 89.381 2.768 15.541 1.00 0.00 C ATOM 632 CE1 HIS A 58 89.662 3.696 17.480 1.00 0.00 C ATOM 633 NE2 HIS A 58 89.420 3.994 16.201 1.00 0.00 N ATOM 0 H HIS A 58 88.799 -2.146 16.250 1.00 0.00 H new ATOM 0 HA HIS A 58 87.608 0.478 15.674 1.00 0.00 H new ATOM 0 HB2 HIS A 58 89.707 -0.221 17.251 1.00 0.00 H new ATOM 0 HB3 HIS A 58 90.570 -0.019 15.739 1.00 0.00 H new ATOM 0 HD2 HIS A 58 89.204 2.635 14.484 1.00 0.00 H new ATOM 0 HE1 HIS A 58 89.753 4.430 18.267 1.00 0.00 H new ATOM 0 HE2 HIS A 58 89.291 4.921 15.795 1.00 0.00 H new ATOM 641 N PHE A 59 87.981 0.494 13.231 1.00 0.00 N ATOM 642 CA PHE A 59 88.190 0.528 11.788 1.00 0.00 C ATOM 643 C PHE A 59 89.008 1.751 11.398 1.00 0.00 C ATOM 644 O PHE A 59 88.546 2.883 11.536 1.00 0.00 O ATOM 645 CB PHE A 59 86.840 0.568 11.070 1.00 0.00 C ATOM 646 CG PHE A 59 87.058 0.523 9.578 1.00 0.00 C ATOM 647 CD1 PHE A 59 87.222 -0.708 8.931 1.00 0.00 C ATOM 648 CD2 PHE A 59 87.100 1.711 8.839 1.00 0.00 C ATOM 649 CE1 PHE A 59 87.428 -0.751 7.547 1.00 0.00 C ATOM 650 CE2 PHE A 59 87.307 1.669 7.456 1.00 0.00 C ATOM 651 CZ PHE A 59 87.470 0.437 6.809 1.00 0.00 C ATOM 0 H PHE A 59 87.221 1.086 13.566 1.00 0.00 H new ATOM 0 HA PHE A 59 88.734 -0.370 11.494 1.00 0.00 H new ATOM 0 HB2 PHE A 59 86.225 -0.276 11.383 1.00 0.00 H new ATOM 0 HB3 PHE A 59 86.299 1.475 11.341 1.00 0.00 H new ATOM 0 HD1 PHE A 59 87.190 -1.625 9.500 1.00 0.00 H new ATOM 0 HD2 PHE A 59 86.972 2.661 9.337 1.00 0.00 H new ATOM 0 HE1 PHE A 59 87.554 -1.701 7.049 1.00 0.00 H new ATOM 0 HE2 PHE A 59 87.341 2.586 6.887 1.00 0.00 H new ATOM 0 HZ PHE A 59 87.628 0.404 5.741 1.00 0.00 H new ATOM 661 N CYS A 60 90.221 1.515 10.907 1.00 0.00 N ATOM 662 CA CYS A 60 91.098 2.606 10.494 1.00 0.00 C ATOM 663 C CYS A 60 91.483 2.457 9.025 1.00 0.00 C ATOM 664 O CYS A 60 92.010 1.422 8.615 1.00 0.00 O ATOM 665 CB CYS A 60 92.358 2.613 11.358 1.00 0.00 C ATOM 666 SG CYS A 60 91.912 2.955 13.079 1.00 0.00 S ATOM 0 H CYS A 60 90.618 0.583 10.786 1.00 0.00 H new ATOM 0 HA CYS A 60 90.565 3.548 10.622 1.00 0.00 H new ATOM 0 HB2 CYS A 60 92.865 1.651 11.287 1.00 0.00 H new ATOM 0 HB3 CYS A 60 93.056 3.368 10.996 1.00 0.00 H new ATOM 0 HG CYS A 60 92.985 2.958 13.813 1.00 0.00 H new ATOM 672 N TRP A 61 91.233 3.502 8.244 1.00 0.00 N ATOM 673 CA TRP A 61 91.570 3.485 6.821 1.00 0.00 C ATOM 674 C TRP A 61 92.452 4.677 6.478 1.00 0.00 C ATOM 675 O TRP A 61 92.022 5.833 6.561 1.00 0.00 O ATOM 676 CB TRP A 61 90.297 3.531 5.981 1.00 0.00 C ATOM 677 CG TRP A 61 90.665 3.529 4.534 1.00 0.00 C ATOM 678 CD1 TRP A 61 91.018 2.433 3.827 1.00 0.00 C ATOM 679 CD2 TRP A 61 90.699 4.648 3.602 1.00 0.00 C ATOM 680 NE1 TRP A 61 91.287 2.810 2.529 1.00 0.00 N ATOM 681 CE2 TRP A 61 91.100 4.165 2.336 1.00 0.00 C ATOM 682 CE3 TRP A 61 90.431 6.023 3.734 1.00 0.00 C ATOM 683 CZ2 TRP A 61 91.228 5.013 1.235 1.00 0.00 C ATOM 684 CZ3 TRP A 61 90.557 6.880 2.628 1.00 0.00 C ATOM 685 CH2 TRP A 61 90.957 6.377 1.382 1.00 0.00 C ATOM 0 H TRP A 61 90.801 4.368 8.567 1.00 0.00 H new ATOM 0 HA TRP A 61 92.111 2.565 6.601 1.00 0.00 H new ATOM 0 HB2 TRP A 61 89.665 2.673 6.209 1.00 0.00 H new ATOM 0 HB3 TRP A 61 89.720 4.424 6.221 1.00 0.00 H new ATOM 0 HD1 TRP A 61 91.079 1.427 4.215 1.00 0.00 H new ATOM 0 HE1 TRP A 61 91.588 2.165 1.798 1.00 0.00 H new ATOM 0 HE3 TRP A 61 90.127 6.422 4.691 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 91.534 4.619 0.277 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 90.344 7.933 2.738 1.00 0.00 H new ATOM 0 HH2 TRP A 61 91.056 7.042 0.537 1.00 0.00 H new ATOM 696 N LYS A 62 93.696 4.387 6.106 1.00 0.00 N ATOM 697 CA LYS A 62 94.648 5.438 5.756 1.00 0.00 C ATOM 698 C LYS A 62 95.016 5.374 4.277 1.00 0.00 C ATOM 699 O LYS A 62 94.916 4.328 3.651 1.00 0.00 O ATOM 700 CB LYS A 62 95.915 5.296 6.602 1.00 0.00 C ATOM 701 CG LYS A 62 95.897 3.949 7.330 1.00 0.00 C ATOM 702 CD LYS A 62 97.237 3.728 8.042 1.00 0.00 C ATOM 703 CE LYS A 62 97.596 2.244 8.001 1.00 0.00 C ATOM 704 NZ LYS A 62 98.584 1.941 9.074 1.00 0.00 N ATOM 0 H LYS A 62 94.067 3.439 6.039 1.00 0.00 H new ATOM 0 HA LYS A 62 94.177 6.401 5.955 1.00 0.00 H new ATOM 0 HB2 LYS A 62 96.798 5.366 5.967 1.00 0.00 H new ATOM 0 HB3 LYS A 62 95.976 6.110 7.324 1.00 0.00 H new ATOM 0 HG2 LYS A 62 95.082 3.927 8.053 1.00 0.00 H new ATOM 0 HG3 LYS A 62 95.715 3.143 6.619 1.00 0.00 H new ATOM 0 HD2 LYS A 62 98.018 4.316 7.560 1.00 0.00 H new ATOM 0 HD3 LYS A 62 97.173 4.069 9.075 1.00 0.00 H new ATOM 0 HE2 LYS A 62 96.700 1.638 8.136 1.00 0.00 H new ATOM 0 HE3 LYS A 62 98.011 1.986 7.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 98.828 0.930 9.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 99.443 2.509 8.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 98.172 2.172 10.001 1.00 0.00 H new ATOM 718 N ASP A 63 95.458 6.503 3.735 1.00 0.00 N ATOM 719 CA ASP A 63 95.858 6.566 2.338 1.00 0.00 C ATOM 720 C ASP A 63 97.315 6.162 2.181 1.00 0.00 C ATOM 721 O ASP A 63 98.170 6.649 2.895 1.00 0.00 O ATOM 722 CB ASP A 63 95.651 7.977 1.788 1.00 0.00 C ATOM 723 CG ASP A 63 94.161 8.258 1.620 1.00 0.00 C ATOM 724 OD1 ASP A 63 93.391 7.313 1.664 1.00 0.00 O ATOM 725 OD2 ASP A 63 93.814 9.415 1.454 1.00 0.00 O ATOM 0 H ASP A 63 95.548 7.384 4.242 1.00 0.00 H new ATOM 0 HA ASP A 63 95.237 5.870 1.774 1.00 0.00 H new ATOM 0 HB2 ASP A 63 96.093 8.708 2.464 1.00 0.00 H new ATOM 0 HB3 ASP A 63 96.159 8.081 0.829 1.00 0.00 H new ATOM 730 N ARG A 64 97.586 5.260 1.252 1.00 0.00 N ATOM 731 CA ARG A 64 98.952 4.798 1.014 1.00 0.00 C ATOM 732 C ARG A 64 99.801 5.908 0.403 1.00 0.00 C ATOM 733 O ARG A 64 100.982 6.049 0.721 1.00 0.00 O ATOM 734 CB ARG A 64 98.940 3.585 0.081 1.00 0.00 C ATOM 735 CG ARG A 64 98.336 2.385 0.812 1.00 0.00 C ATOM 736 CD ARG A 64 98.198 1.211 -0.159 1.00 0.00 C ATOM 737 NE ARG A 64 99.510 0.797 -0.640 1.00 0.00 N ATOM 738 CZ ARG A 64 99.633 -0.078 -1.633 1.00 0.00 C ATOM 739 NH1 ARG A 64 100.819 -0.434 -2.045 1.00 0.00 N ATOM 740 NH2 ARG A 64 98.569 -0.581 -2.197 1.00 0.00 N ATOM 0 H ARG A 64 96.883 4.831 0.650 1.00 0.00 H new ATOM 0 HA ARG A 64 99.388 4.514 1.972 1.00 0.00 H new ATOM 0 HB2 ARG A 64 98.361 3.808 -0.815 1.00 0.00 H new ATOM 0 HB3 ARG A 64 99.954 3.353 -0.245 1.00 0.00 H new ATOM 0 HG2 ARG A 64 98.969 2.102 1.653 1.00 0.00 H new ATOM 0 HG3 ARG A 64 97.361 2.648 1.221 1.00 0.00 H new ATOM 0 HD2 ARG A 64 97.705 0.375 0.337 1.00 0.00 H new ATOM 0 HD3 ARG A 64 97.568 1.498 -1.001 1.00 0.00 H new ATOM 0 HE ARG A 64 100.348 1.185 -0.207 1.00 0.00 H new ATOM 0 HH11 ARG A 64 101.651 -0.041 -1.605 1.00 0.00 H new ATOM 0 HH12 ARG A 64 100.914 -1.105 -2.807 1.00 0.00 H new ATOM 0 HH21 ARG A 64 97.642 -0.303 -1.876 1.00 0.00 H new ATOM 0 HH22 ARG A 64 98.665 -1.252 -2.959 1.00 0.00 H new ATOM 754 N THR A 65 99.196 6.680 -0.491 1.00 0.00 N ATOM 755 CA THR A 65 99.904 7.769 -1.152 1.00 0.00 C ATOM 756 C THR A 65 100.340 8.824 -0.142 1.00 0.00 C ATOM 757 O THR A 65 101.465 9.321 -0.196 1.00 0.00 O ATOM 758 CB THR A 65 99.007 8.411 -2.211 1.00 0.00 C ATOM 759 OG1 THR A 65 98.658 7.441 -3.190 1.00 0.00 O ATOM 760 CG2 THR A 65 99.751 9.568 -2.882 1.00 0.00 C ATOM 0 H THR A 65 98.222 6.573 -0.774 1.00 0.00 H new ATOM 0 HA THR A 65 100.792 7.357 -1.631 1.00 0.00 H new ATOM 0 HB THR A 65 98.102 8.790 -1.736 1.00 0.00 H new ATOM 0 HG1 THR A 65 98.082 7.853 -3.867 1.00 0.00 H new ATOM 0 HG21 THR A 65 99.110 10.024 -3.636 1.00 0.00 H new ATOM 0 HG22 THR A 65 100.016 10.314 -2.132 1.00 0.00 H new ATOM 0 HG23 THR A 65 100.658 9.192 -3.356 1.00 0.00 H new ATOM 768 N SER A 66 99.437 9.173 0.766 1.00 0.00 N ATOM 769 CA SER A 66 99.731 10.182 1.776 1.00 0.00 C ATOM 770 C SER A 66 100.228 9.536 3.063 1.00 0.00 C ATOM 771 O SER A 66 100.994 10.139 3.815 1.00 0.00 O ATOM 772 CB SER A 66 98.478 11.007 2.064 1.00 0.00 C ATOM 773 OG SER A 66 98.026 11.617 0.859 1.00 0.00 O ATOM 0 H SER A 66 98.500 8.775 0.824 1.00 0.00 H new ATOM 0 HA SER A 66 100.517 10.833 1.392 1.00 0.00 H new ATOM 0 HB2 SER A 66 97.696 10.369 2.477 1.00 0.00 H new ATOM 0 HB3 SER A 66 98.695 11.770 2.812 1.00 0.00 H new ATOM 0 HG SER A 66 97.221 12.145 1.042 1.00 0.00 H new ATOM 779 N GLY A 67 99.778 8.315 3.313 1.00 0.00 N ATOM 780 CA GLY A 67 100.176 7.596 4.520 1.00 0.00 C ATOM 781 C GLY A 67 99.510 8.195 5.750 1.00 0.00 C ATOM 782 O GLY A 67 99.929 7.944 6.879 1.00 0.00 O ATOM 0 H GLY A 67 99.142 7.802 2.703 1.00 0.00 H new ATOM 0 HA2 GLY A 67 99.903 6.545 4.429 1.00 0.00 H new ATOM 0 HA3 GLY A 67 101.260 7.636 4.632 1.00 0.00 H new ATOM 786 N ASN A 68 98.472 8.997 5.520 1.00 0.00 N ATOM 787 CA ASN A 68 97.757 9.639 6.624 1.00 0.00 C ATOM 788 C ASN A 68 96.375 9.022 6.802 1.00 0.00 C ATOM 789 O ASN A 68 95.824 8.433 5.872 1.00 0.00 O ATOM 790 CB ASN A 68 97.617 11.137 6.352 1.00 0.00 C ATOM 791 CG ASN A 68 98.983 11.812 6.433 1.00 0.00 C ATOM 792 OD1 ASN A 68 99.906 11.278 7.048 1.00 0.00 O ATOM 793 ND2 ASN A 68 99.168 12.962 5.843 1.00 0.00 N ATOM 0 H ASN A 68 98.110 9.217 4.592 1.00 0.00 H new ATOM 0 HA ASN A 68 98.329 9.486 7.539 1.00 0.00 H new ATOM 0 HB2 ASN A 68 97.181 11.297 5.366 1.00 0.00 H new ATOM 0 HB3 ASN A 68 96.937 11.585 7.077 1.00 0.00 H new ATOM 0 HD21 ASN A 68 100.078 13.419 5.891 1.00 0.00 H new ATOM 0 HD22 ASN A 68 98.402 13.403 5.334 1.00 0.00 H new ATOM 800 N VAL A 69 95.819 9.156 8.002 1.00 0.00 N ATOM 801 CA VAL A 69 94.501 8.611 8.290 1.00 0.00 C ATOM 802 C VAL A 69 93.411 9.554 7.796 1.00 0.00 C ATOM 803 O VAL A 69 93.435 10.748 8.092 1.00 0.00 O ATOM 804 CB VAL A 69 94.346 8.386 9.792 1.00 0.00 C ATOM 805 CG1 VAL A 69 95.456 7.462 10.291 1.00 0.00 C ATOM 806 CG2 VAL A 69 94.433 9.729 10.519 1.00 0.00 C ATOM 0 H VAL A 69 96.260 9.636 8.787 1.00 0.00 H new ATOM 0 HA VAL A 69 94.401 7.658 7.770 1.00 0.00 H new ATOM 0 HB VAL A 69 93.378 7.926 9.991 1.00 0.00 H new ATOM 0 HG11 VAL A 69 95.343 7.303 11.363 1.00 0.00 H new ATOM 0 HG12 VAL A 69 95.392 6.505 9.774 1.00 0.00 H new ATOM 0 HG13 VAL A 69 96.426 7.918 10.092 1.00 0.00 H new ATOM 0 HG21 VAL A 69 94.322 9.570 11.592 1.00 0.00 H new ATOM 0 HG22 VAL A 69 95.400 10.189 10.318 1.00 0.00 H new ATOM 0 HG23 VAL A 69 93.638 10.386 10.166 1.00 0.00 H new ATOM 816 N GLU A 70 92.453 9.006 7.055 1.00 0.00 N ATOM 817 CA GLU A 70 91.348 9.805 6.534 1.00 0.00 C ATOM 818 C GLU A 70 90.043 9.432 7.229 1.00 0.00 C ATOM 819 O GLU A 70 89.188 10.287 7.464 1.00 0.00 O ATOM 820 CB GLU A 70 91.207 9.587 5.026 1.00 0.00 C ATOM 821 CG GLU A 70 91.810 10.778 4.278 1.00 0.00 C ATOM 822 CD GLU A 70 93.286 10.924 4.632 1.00 0.00 C ATOM 823 OE1 GLU A 70 94.012 9.958 4.467 1.00 0.00 O ATOM 824 OE2 GLU A 70 93.667 12.000 5.062 1.00 0.00 O ATOM 0 H GLU A 70 92.419 8.018 6.803 1.00 0.00 H new ATOM 0 HA GLU A 70 91.563 10.856 6.728 1.00 0.00 H new ATOM 0 HB2 GLU A 70 91.712 8.667 4.732 1.00 0.00 H new ATOM 0 HB3 GLU A 70 90.156 9.472 4.761 1.00 0.00 H new ATOM 0 HG2 GLU A 70 91.698 10.637 3.203 1.00 0.00 H new ATOM 0 HG3 GLU A 70 91.273 11.690 4.538 1.00 0.00 H new ATOM 831 N ASP A 71 89.899 8.149 7.554 1.00 0.00 N ATOM 832 CA ASP A 71 88.691 7.676 8.225 1.00 0.00 C ATOM 833 C ASP A 71 89.051 6.715 9.353 1.00 0.00 C ATOM 834 O ASP A 71 89.717 5.703 9.130 1.00 0.00 O ATOM 835 CB ASP A 71 87.776 6.975 7.220 1.00 0.00 C ATOM 836 CG ASP A 71 86.456 6.606 7.886 1.00 0.00 C ATOM 837 OD1 ASP A 71 85.738 7.513 8.271 1.00 0.00 O ATOM 838 OD2 ASP A 71 86.184 5.423 8.001 1.00 0.00 O ATOM 0 H ASP A 71 90.594 7.427 7.366 1.00 0.00 H new ATOM 0 HA ASP A 71 88.169 8.534 8.648 1.00 0.00 H new ATOM 0 HB2 ASP A 71 87.592 7.627 6.366 1.00 0.00 H new ATOM 0 HB3 ASP A 71 88.263 6.078 6.837 1.00 0.00 H new ATOM 843 N ASP A 72 88.609 7.036 10.569 1.00 0.00 N ATOM 844 CA ASP A 72 88.896 6.191 11.720 1.00 0.00 C ATOM 845 C ASP A 72 87.789 6.319 12.762 1.00 0.00 C ATOM 846 O ASP A 72 87.614 7.380 13.364 1.00 0.00 O ATOM 847 CB ASP A 72 90.237 6.593 12.336 1.00 0.00 C ATOM 848 CG ASP A 72 90.387 8.110 12.310 1.00 0.00 C ATOM 849 OD1 ASP A 72 89.944 8.747 13.252 1.00 0.00 O ATOM 850 OD2 ASP A 72 90.948 8.614 11.350 1.00 0.00 O ATOM 0 H ASP A 72 88.056 7.867 10.778 1.00 0.00 H new ATOM 0 HA ASP A 72 88.947 5.154 11.389 1.00 0.00 H new ATOM 0 HB2 ASP A 72 90.299 6.230 13.362 1.00 0.00 H new ATOM 0 HB3 ASP A 72 91.054 6.129 11.784 1.00 0.00 H new ATOM 855 N LEU A 73 87.042 5.236 12.973 1.00 0.00 N ATOM 856 CA LEU A 73 85.959 5.247 13.935 1.00 0.00 C ATOM 857 C LEU A 73 85.681 3.832 14.440 1.00 0.00 C ATOM 858 O LEU A 73 85.867 2.855 13.713 1.00 0.00 O ATOM 859 CB LEU A 73 84.693 5.821 13.287 1.00 0.00 C ATOM 860 CG LEU A 73 83.641 6.085 14.365 1.00 0.00 C ATOM 861 CD1 LEU A 73 84.121 7.200 15.299 1.00 0.00 C ATOM 862 CD2 LEU A 73 82.325 6.501 13.708 1.00 0.00 C ATOM 0 H LEU A 73 87.172 4.347 12.489 1.00 0.00 H new ATOM 0 HA LEU A 73 86.249 5.872 14.780 1.00 0.00 H new ATOM 0 HB2 LEU A 73 84.929 6.746 12.760 1.00 0.00 H new ATOM 0 HB3 LEU A 73 84.303 5.123 12.546 1.00 0.00 H new ATOM 0 HG LEU A 73 83.486 5.174 14.943 1.00 0.00 H new ATOM 0 HD11 LEU A 73 83.367 7.383 16.065 1.00 0.00 H new ATOM 0 HD12 LEU A 73 85.055 6.900 15.774 1.00 0.00 H new ATOM 0 HD13 LEU A 73 84.283 8.112 14.724 1.00 0.00 H new ATOM 0 HD21 LEU A 73 81.577 6.689 14.478 1.00 0.00 H new ATOM 0 HD22 LEU A 73 82.480 7.409 13.125 1.00 0.00 H new ATOM 0 HD23 LEU A 73 81.978 5.703 13.052 1.00 0.00 H new ATOM 874 N ILE A 74 85.235 3.732 15.687 1.00 0.00 N ATOM 875 CA ILE A 74 84.928 2.438 16.279 1.00 0.00 C ATOM 876 C ILE A 74 83.619 1.887 15.731 1.00 0.00 C ATOM 877 O ILE A 74 82.651 2.626 15.550 1.00 0.00 O ATOM 878 CB ILE A 74 84.832 2.566 17.795 1.00 0.00 C ATOM 879 CG1 ILE A 74 86.217 2.849 18.377 1.00 0.00 C ATOM 880 CG2 ILE A 74 84.284 1.262 18.385 1.00 0.00 C ATOM 881 CD1 ILE A 74 86.087 3.223 19.855 1.00 0.00 C ATOM 0 H ILE A 74 85.079 4.529 16.304 1.00 0.00 H new ATOM 0 HA ILE A 74 85.732 1.748 16.022 1.00 0.00 H new ATOM 0 HB ILE A 74 84.162 3.388 18.046 1.00 0.00 H new ATOM 0 HG12 ILE A 74 86.854 1.971 18.268 1.00 0.00 H new ATOM 0 HG13 ILE A 74 86.695 3.660 17.827 1.00 0.00 H new ATOM 0 HG21 ILE A 74 84.215 1.354 19.469 1.00 0.00 H new ATOM 0 HG22 ILE A 74 83.294 1.065 17.974 1.00 0.00 H new ATOM 0 HG23 ILE A 74 84.952 0.439 18.132 1.00 0.00 H new ATOM 0 HD11 ILE A 74 87.076 3.424 20.268 1.00 0.00 H new ATOM 0 HD12 ILE A 74 85.465 4.113 19.952 1.00 0.00 H new ATOM 0 HD13 ILE A 74 85.627 2.398 20.400 1.00 0.00 H new ATOM 893 N ILE A 75 83.598 0.585 15.461 1.00 0.00 N ATOM 894 CA ILE A 75 82.401 -0.059 14.934 1.00 0.00 C ATOM 895 C ILE A 75 81.969 -1.215 15.834 1.00 0.00 C ATOM 896 O ILE A 75 82.754 -2.132 16.107 1.00 0.00 O ATOM 897 CB ILE A 75 82.669 -0.583 13.523 1.00 0.00 C ATOM 898 CG1 ILE A 75 83.077 0.580 12.614 1.00 0.00 C ATOM 899 CG2 ILE A 75 81.400 -1.238 12.970 1.00 0.00 C ATOM 900 CD1 ILE A 75 83.508 0.040 11.247 1.00 0.00 C ATOM 0 H ILE A 75 84.392 -0.041 15.598 1.00 0.00 H new ATOM 0 HA ILE A 75 81.600 0.680 14.903 1.00 0.00 H new ATOM 0 HB ILE A 75 83.473 -1.318 13.558 1.00 0.00 H new ATOM 0 HG12 ILE A 75 82.243 1.272 12.496 1.00 0.00 H new ATOM 0 HG13 ILE A 75 83.894 1.140 13.069 1.00 0.00 H new ATOM 0 HG21 ILE A 75 81.592 -1.611 11.964 1.00 0.00 H new ATOM 0 HG22 ILE A 75 81.108 -2.067 13.615 1.00 0.00 H new ATOM 0 HG23 ILE A 75 80.596 -0.503 12.937 1.00 0.00 H new ATOM 0 HD11 ILE A 75 83.798 0.870 10.603 1.00 0.00 H new ATOM 0 HD12 ILE A 75 84.355 -0.634 11.373 1.00 0.00 H new ATOM 0 HD13 ILE A 75 82.678 -0.501 10.791 1.00 0.00 H new ATOM 912 N PHE A 76 80.711 -1.174 16.275 1.00 0.00 N ATOM 913 CA PHE A 76 80.180 -2.227 17.118 1.00 0.00 C ATOM 914 C PHE A 76 79.879 -3.473 16.288 1.00 0.00 C ATOM 915 O PHE A 76 79.571 -3.384 15.098 1.00 0.00 O ATOM 916 CB PHE A 76 78.903 -1.752 17.820 1.00 0.00 C ATOM 917 CG PHE A 76 79.259 -0.716 18.851 1.00 0.00 C ATOM 918 CD1 PHE A 76 79.588 0.582 18.447 1.00 0.00 C ATOM 919 CD2 PHE A 76 79.261 -1.051 20.208 1.00 0.00 C ATOM 920 CE1 PHE A 76 79.913 1.549 19.402 1.00 0.00 C ATOM 921 CE2 PHE A 76 79.587 -0.083 21.166 1.00 0.00 C ATOM 922 CZ PHE A 76 79.915 1.218 20.763 1.00 0.00 C ATOM 0 H PHE A 76 80.051 -0.426 16.061 1.00 0.00 H new ATOM 0 HA PHE A 76 80.929 -2.476 17.870 1.00 0.00 H new ATOM 0 HB2 PHE A 76 78.208 -1.333 17.092 1.00 0.00 H new ATOM 0 HB3 PHE A 76 78.399 -2.595 18.293 1.00 0.00 H new ATOM 0 HD1 PHE A 76 79.591 0.837 17.397 1.00 0.00 H new ATOM 0 HD2 PHE A 76 79.011 -2.055 20.517 1.00 0.00 H new ATOM 0 HE1 PHE A 76 80.163 2.552 19.090 1.00 0.00 H new ATOM 0 HE2 PHE A 76 79.586 -0.339 22.215 1.00 0.00 H new ATOM 0 HZ PHE A 76 80.169 1.965 21.501 1.00 0.00 H new ATOM 932 N PRO A 77 79.954 -4.625 16.886 1.00 0.00 N ATOM 933 CA PRO A 77 79.688 -5.919 16.186 1.00 0.00 C ATOM 934 C PRO A 77 78.282 -5.982 15.603 1.00 0.00 C ATOM 935 O PRO A 77 77.309 -5.657 16.284 1.00 0.00 O ATOM 936 CB PRO A 77 79.866 -6.973 17.291 1.00 0.00 C ATOM 937 CG PRO A 77 79.773 -6.226 18.577 1.00 0.00 C ATOM 938 CD PRO A 77 80.302 -4.840 18.298 1.00 0.00 C ATOM 0 HA PRO A 77 80.354 -6.066 15.335 1.00 0.00 H new ATOM 0 HB2 PRO A 77 79.095 -7.741 17.228 1.00 0.00 H new ATOM 0 HB3 PRO A 77 80.828 -7.478 17.200 1.00 0.00 H new ATOM 0 HG2 PRO A 77 78.743 -6.186 18.930 1.00 0.00 H new ATOM 0 HG3 PRO A 77 80.358 -6.716 19.355 1.00 0.00 H new ATOM 0 HD2 PRO A 77 79.839 -4.095 18.945 1.00 0.00 H new ATOM 0 HD3 PRO A 77 81.378 -4.779 18.461 1.00 0.00 H new ATOM 946 N ASP A 78 78.186 -6.409 14.345 1.00 0.00 N ATOM 947 CA ASP A 78 76.894 -6.517 13.679 1.00 0.00 C ATOM 948 C ASP A 78 76.429 -5.150 13.187 1.00 0.00 C ATOM 949 O ASP A 78 75.467 -5.050 12.423 1.00 0.00 O ATOM 950 CB ASP A 78 75.856 -7.093 14.643 1.00 0.00 C ATOM 951 CG ASP A 78 74.803 -7.881 13.874 1.00 0.00 C ATOM 952 OD1 ASP A 78 75.184 -8.665 13.021 1.00 0.00 O ATOM 953 OD2 ASP A 78 73.630 -7.685 14.147 1.00 0.00 O ATOM 0 H ASP A 78 78.983 -6.684 13.771 1.00 0.00 H new ATOM 0 HA ASP A 78 77.003 -7.182 12.822 1.00 0.00 H new ATOM 0 HB2 ASP A 78 76.345 -7.740 15.371 1.00 0.00 H new ATOM 0 HB3 ASP A 78 75.381 -6.287 15.202 1.00 0.00 H new ATOM 958 N ASP A 79 77.103 -4.095 13.643 1.00 0.00 N ATOM 959 CA ASP A 79 76.733 -2.743 13.251 1.00 0.00 C ATOM 960 C ASP A 79 76.871 -2.557 11.746 1.00 0.00 C ATOM 961 O ASP A 79 75.981 -2.007 11.096 1.00 0.00 O ATOM 962 CB ASP A 79 77.629 -1.736 13.968 1.00 0.00 C ATOM 963 CG ASP A 79 77.130 -0.317 13.720 1.00 0.00 C ATOM 964 OD1 ASP A 79 76.069 -0.180 13.133 1.00 0.00 O ATOM 965 OD2 ASP A 79 77.817 0.612 14.116 1.00 0.00 O ATOM 0 H ASP A 79 77.900 -4.152 14.278 1.00 0.00 H new ATOM 0 HA ASP A 79 75.692 -2.579 13.530 1.00 0.00 H new ATOM 0 HB2 ASP A 79 77.639 -1.944 15.038 1.00 0.00 H new ATOM 0 HB3 ASP A 79 78.655 -1.835 13.615 1.00 0.00 H new ATOM 970 N CYS A 80 77.991 -3.011 11.194 1.00 0.00 N ATOM 971 CA CYS A 80 78.235 -2.880 9.766 1.00 0.00 C ATOM 972 C CYS A 80 77.987 -4.205 9.055 1.00 0.00 C ATOM 973 O CYS A 80 78.588 -5.224 9.397 1.00 0.00 O ATOM 974 CB CYS A 80 79.679 -2.435 9.528 1.00 0.00 C ATOM 975 SG CYS A 80 80.816 -3.692 10.164 1.00 0.00 S ATOM 0 H CYS A 80 78.740 -3.470 11.712 1.00 0.00 H new ATOM 0 HA CYS A 80 77.550 -2.133 9.364 1.00 0.00 H new ATOM 0 HB2 CYS A 80 79.851 -2.280 8.463 1.00 0.00 H new ATOM 0 HB3 CYS A 80 79.862 -1.481 10.023 1.00 0.00 H new ATOM 0 HG CYS A 80 80.280 -4.869 10.032 1.00 0.00 H new ATOM 981 N GLU A 81 77.108 -4.178 8.060 1.00 0.00 N ATOM 982 CA GLU A 81 76.793 -5.384 7.299 1.00 0.00 C ATOM 983 C GLU A 81 77.398 -5.307 5.902 1.00 0.00 C ATOM 984 O GLU A 81 77.542 -4.223 5.340 1.00 0.00 O ATOM 985 CB GLU A 81 75.277 -5.554 7.193 1.00 0.00 C ATOM 986 CG GLU A 81 74.676 -4.353 6.458 1.00 0.00 C ATOM 987 CD GLU A 81 73.157 -4.465 6.434 1.00 0.00 C ATOM 988 OE1 GLU A 81 72.647 -5.459 6.922 1.00 0.00 O ATOM 989 OE2 GLU A 81 72.524 -3.551 5.930 1.00 0.00 O ATOM 0 H GLU A 81 76.604 -3.343 7.762 1.00 0.00 H new ATOM 0 HA GLU A 81 77.218 -6.242 7.820 1.00 0.00 H new ATOM 0 HB2 GLU A 81 75.041 -6.475 6.660 1.00 0.00 H new ATOM 0 HB3 GLU A 81 74.840 -5.640 8.188 1.00 0.00 H new ATOM 0 HG2 GLU A 81 74.973 -3.428 6.952 1.00 0.00 H new ATOM 0 HG3 GLU A 81 75.062 -4.309 5.440 1.00 0.00 H new ATOM 996 N PHE A 82 77.747 -6.463 5.349 1.00 0.00 N ATOM 997 CA PHE A 82 78.337 -6.513 4.014 1.00 0.00 C ATOM 998 C PHE A 82 77.288 -6.920 2.986 1.00 0.00 C ATOM 999 O PHE A 82 76.527 -7.862 3.205 1.00 0.00 O ATOM 1000 CB PHE A 82 79.491 -7.517 3.992 1.00 0.00 C ATOM 1001 CG PHE A 82 78.938 -8.920 3.898 1.00 0.00 C ATOM 1002 CD1 PHE A 82 78.886 -9.569 2.659 1.00 0.00 C ATOM 1003 CD2 PHE A 82 78.479 -9.571 5.049 1.00 0.00 C ATOM 1004 CE1 PHE A 82 78.372 -10.869 2.570 1.00 0.00 C ATOM 1005 CE2 PHE A 82 77.965 -10.869 4.961 1.00 0.00 C ATOM 1006 CZ PHE A 82 77.913 -11.520 3.722 1.00 0.00 C ATOM 0 H PHE A 82 77.634 -7.372 5.799 1.00 0.00 H new ATOM 0 HA PHE A 82 78.714 -5.522 3.763 1.00 0.00 H new ATOM 0 HB2 PHE A 82 80.146 -7.316 3.144 1.00 0.00 H new ATOM 0 HB3 PHE A 82 80.095 -7.413 4.893 1.00 0.00 H new ATOM 0 HD1 PHE A 82 79.242 -9.067 1.771 1.00 0.00 H new ATOM 0 HD2 PHE A 82 78.522 -9.071 6.005 1.00 0.00 H new ATOM 0 HE1 PHE A 82 78.330 -11.369 1.614 1.00 0.00 H new ATOM 0 HE2 PHE A 82 77.608 -11.369 5.849 1.00 0.00 H new ATOM 0 HZ PHE A 82 77.519 -12.523 3.655 1.00 0.00 H new ATOM 1016 N LYS A 83 77.250 -6.202 1.869 1.00 0.00 N ATOM 1017 CA LYS A 83 76.284 -6.491 0.816 1.00 0.00 C ATOM 1018 C LYS A 83 76.974 -6.563 -0.539 1.00 0.00 C ATOM 1019 O LYS A 83 78.108 -6.111 -0.690 1.00 0.00 O ATOM 1020 CB LYS A 83 75.203 -5.409 0.784 1.00 0.00 C ATOM 1021 CG LYS A 83 74.747 -5.100 2.208 1.00 0.00 C ATOM 1022 CD LYS A 83 73.601 -4.085 2.174 1.00 0.00 C ATOM 1023 CE LYS A 83 72.268 -4.818 2.013 1.00 0.00 C ATOM 1024 NZ LYS A 83 71.151 -3.836 2.082 1.00 0.00 N ATOM 0 H LYS A 83 77.873 -5.420 1.670 1.00 0.00 H new ATOM 0 HA LYS A 83 75.824 -7.456 1.028 1.00 0.00 H new ATOM 0 HB2 LYS A 83 75.591 -4.507 0.312 1.00 0.00 H new ATOM 0 HB3 LYS A 83 74.356 -5.744 0.185 1.00 0.00 H new ATOM 0 HG2 LYS A 83 74.421 -6.015 2.702 1.00 0.00 H new ATOM 0 HG3 LYS A 83 75.580 -4.703 2.789 1.00 0.00 H new ATOM 0 HD2 LYS A 83 73.595 -3.497 3.092 1.00 0.00 H new ATOM 0 HD3 LYS A 83 73.745 -3.387 1.349 1.00 0.00 H new ATOM 0 HE2 LYS A 83 72.244 -5.346 1.060 1.00 0.00 H new ATOM 0 HE3 LYS A 83 72.156 -5.568 2.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 70.244 -4.333 1.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 71.171 -3.351 3.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 71.256 -3.136 1.320 1.00 0.00 H new ATOM 1038 N ARG A 84 76.279 -7.130 -1.520 1.00 0.00 N ATOM 1039 CA ARG A 84 76.832 -7.252 -2.866 1.00 0.00 C ATOM 1040 C ARG A 84 75.996 -6.453 -3.859 1.00 0.00 C ATOM 1041 O ARG A 84 74.767 -6.448 -3.783 1.00 0.00 O ATOM 1042 CB ARG A 84 76.859 -8.724 -3.287 1.00 0.00 C ATOM 1043 CG ARG A 84 75.444 -9.302 -3.225 1.00 0.00 C ATOM 1044 CD ARG A 84 75.482 -10.785 -3.597 1.00 0.00 C ATOM 1045 NE ARG A 84 76.296 -11.524 -2.640 1.00 0.00 N ATOM 1046 CZ ARG A 84 76.728 -12.752 -2.910 1.00 0.00 C ATOM 1047 NH1 ARG A 84 77.454 -13.394 -2.037 1.00 0.00 N ATOM 1048 NH2 ARG A 84 76.427 -13.313 -4.050 1.00 0.00 N ATOM 0 H ARG A 84 75.339 -7.510 -1.411 1.00 0.00 H new ATOM 0 HA ARG A 84 77.848 -6.857 -2.861 1.00 0.00 H new ATOM 0 HB2 ARG A 84 77.256 -8.816 -4.298 1.00 0.00 H new ATOM 0 HB3 ARG A 84 77.522 -9.288 -2.631 1.00 0.00 H new ATOM 0 HG2 ARG A 84 75.033 -9.178 -2.223 1.00 0.00 H new ATOM 0 HG3 ARG A 84 74.789 -8.761 -3.908 1.00 0.00 H new ATOM 0 HD2 ARG A 84 74.470 -11.189 -3.613 1.00 0.00 H new ATOM 0 HD3 ARG A 84 75.889 -10.905 -4.601 1.00 0.00 H new ATOM 0 HE ARG A 84 76.538 -11.092 -1.748 1.00 0.00 H new ATOM 0 HH11 ARG A 84 77.690 -12.954 -1.148 1.00 0.00 H new ATOM 0 HH12 ARG A 84 77.786 -14.336 -2.244 1.00 0.00 H new ATOM 0 HH21 ARG A 84 75.861 -12.809 -4.733 1.00 0.00 H new ATOM 0 HH22 ARG A 84 76.758 -14.255 -4.258 1.00 0.00 H new ATOM 1062 N VAL A 85 76.673 -5.774 -4.786 1.00 0.00 N ATOM 1063 CA VAL A 85 75.982 -4.971 -5.786 1.00 0.00 C ATOM 1064 C VAL A 85 76.229 -5.543 -7.182 1.00 0.00 C ATOM 1065 O VAL A 85 77.202 -5.183 -7.845 1.00 0.00 O ATOM 1066 CB VAL A 85 76.462 -3.527 -5.729 1.00 0.00 C ATOM 1067 CG1 VAL A 85 77.955 -3.470 -6.027 1.00 0.00 C ATOM 1068 CG2 VAL A 85 75.698 -2.695 -6.761 1.00 0.00 C ATOM 0 H VAL A 85 77.690 -5.766 -4.862 1.00 0.00 H new ATOM 0 HA VAL A 85 74.913 -4.997 -5.573 1.00 0.00 H new ATOM 0 HB VAL A 85 76.280 -3.124 -4.733 1.00 0.00 H new ATOM 0 HG11 VAL A 85 78.295 -2.435 -5.985 1.00 0.00 H new ATOM 0 HG12 VAL A 85 78.496 -4.060 -5.287 1.00 0.00 H new ATOM 0 HG13 VAL A 85 78.143 -3.874 -7.022 1.00 0.00 H new ATOM 0 HG21 VAL A 85 76.041 -1.661 -6.721 1.00 0.00 H new ATOM 0 HG22 VAL A 85 75.877 -3.098 -7.758 1.00 0.00 H new ATOM 0 HG23 VAL A 85 74.631 -2.732 -6.541 1.00 0.00 H new ATOM 1078 N PRO A 86 75.382 -6.430 -7.633 1.00 0.00 N ATOM 1079 CA PRO A 86 75.528 -7.074 -8.969 1.00 0.00 C ATOM 1080 C PRO A 86 75.803 -6.059 -10.075 1.00 0.00 C ATOM 1081 O PRO A 86 74.891 -5.383 -10.550 1.00 0.00 O ATOM 1082 CB PRO A 86 74.174 -7.756 -9.179 1.00 0.00 C ATOM 1083 CG PRO A 86 73.645 -8.023 -7.809 1.00 0.00 C ATOM 1084 CD PRO A 86 74.195 -6.920 -6.917 1.00 0.00 C ATOM 0 HA PRO A 86 76.374 -7.761 -9.005 1.00 0.00 H new ATOM 0 HB2 PRO A 86 73.496 -7.116 -9.744 1.00 0.00 H new ATOM 0 HB3 PRO A 86 74.284 -8.681 -9.744 1.00 0.00 H new ATOM 0 HG2 PRO A 86 72.555 -8.019 -7.805 1.00 0.00 H new ATOM 0 HG3 PRO A 86 73.961 -9.004 -7.454 1.00 0.00 H new ATOM 0 HD2 PRO A 86 73.463 -6.126 -6.770 1.00 0.00 H new ATOM 0 HD3 PRO A 86 74.455 -7.300 -5.929 1.00 0.00 H new ATOM 1092 N GLN A 87 77.064 -5.975 -10.493 1.00 0.00 N ATOM 1093 CA GLN A 87 77.442 -5.055 -11.558 1.00 0.00 C ATOM 1094 C GLN A 87 77.628 -5.809 -12.871 1.00 0.00 C ATOM 1095 O GLN A 87 77.131 -5.387 -13.917 1.00 0.00 O ATOM 1096 CB GLN A 87 78.747 -4.344 -11.192 1.00 0.00 C ATOM 1097 CG GLN A 87 78.457 -3.238 -10.176 1.00 0.00 C ATOM 1098 CD GLN A 87 79.742 -2.841 -9.459 1.00 0.00 C ATOM 1099 OE1 GLN A 87 80.888 -3.266 -9.913 1.00 0.00 O flip ATOM 1100 NE2 GLN A 87 79.702 -2.137 -8.455 1.00 0.00 N flip ATOM 0 H GLN A 87 77.833 -6.528 -10.114 1.00 0.00 H new ATOM 0 HA GLN A 87 76.647 -4.320 -11.680 1.00 0.00 H new ATOM 0 HB2 GLN A 87 79.458 -5.058 -10.776 1.00 0.00 H new ATOM 0 HB3 GLN A 87 79.206 -3.921 -12.085 1.00 0.00 H new ATOM 0 HG2 GLN A 87 78.030 -2.372 -10.681 1.00 0.00 H new ATOM 0 HG3 GLN A 87 77.718 -3.582 -9.452 1.00 0.00 H new ATOM 0 HE21 GLN A 87 78.805 -1.805 -8.100 1.00 0.00 H new ATOM 0 HE22 GLN A 87 80.566 -1.884 -7.975 1.00 0.00 H new ATOM 1109 N CYS A 88 78.337 -6.937 -12.807 1.00 0.00 N ATOM 1110 CA CYS A 88 78.569 -7.742 -13.999 1.00 0.00 C ATOM 1111 C CYS A 88 78.816 -9.198 -13.616 1.00 0.00 C ATOM 1112 O CYS A 88 79.224 -9.496 -12.493 1.00 0.00 O ATOM 1113 CB CYS A 88 79.765 -7.197 -14.778 1.00 0.00 C ATOM 1114 SG CYS A 88 80.974 -8.509 -15.038 1.00 0.00 S ATOM 0 H CYS A 88 78.754 -7.307 -11.953 1.00 0.00 H new ATOM 0 HA CYS A 88 77.682 -7.691 -14.631 1.00 0.00 H new ATOM 0 HB2 CYS A 88 79.435 -6.799 -15.737 1.00 0.00 H new ATOM 0 HB3 CYS A 88 80.222 -6.372 -14.231 1.00 0.00 H new ATOM 0 HG CYS A 88 82.073 -7.999 -15.511 1.00 0.00 H new ATOM 1120 N PRO A 89 78.567 -10.102 -14.520 1.00 0.00 N ATOM 1121 CA PRO A 89 78.735 -11.565 -14.272 1.00 0.00 C ATOM 1122 C PRO A 89 80.166 -11.931 -13.885 1.00 0.00 C ATOM 1123 O PRO A 89 80.387 -12.823 -13.068 1.00 0.00 O ATOM 1124 CB PRO A 89 78.353 -12.211 -15.611 1.00 0.00 C ATOM 1125 CG PRO A 89 78.446 -11.117 -16.622 1.00 0.00 C ATOM 1126 CD PRO A 89 78.103 -9.835 -15.887 1.00 0.00 C ATOM 0 HA PRO A 89 78.122 -11.905 -13.437 1.00 0.00 H new ATOM 0 HB2 PRO A 89 79.027 -13.031 -15.857 1.00 0.00 H new ATOM 0 HB3 PRO A 89 77.346 -12.626 -15.573 1.00 0.00 H new ATOM 0 HG2 PRO A 89 79.447 -11.065 -17.049 1.00 0.00 H new ATOM 0 HG3 PRO A 89 77.756 -11.290 -17.448 1.00 0.00 H new ATOM 0 HD2 PRO A 89 78.608 -8.973 -16.323 1.00 0.00 H new ATOM 0 HD3 PRO A 89 77.033 -9.627 -15.916 1.00 0.00 H new ATOM 1134 N SER A 90 81.128 -11.231 -14.468 1.00 0.00 N ATOM 1135 CA SER A 90 82.533 -11.481 -14.175 1.00 0.00 C ATOM 1136 C SER A 90 83.103 -10.381 -13.283 1.00 0.00 C ATOM 1137 O SER A 90 84.305 -10.344 -13.023 1.00 0.00 O ATOM 1138 CB SER A 90 83.334 -11.554 -15.474 1.00 0.00 C ATOM 1139 OG SER A 90 83.245 -10.309 -16.152 1.00 0.00 O ATOM 0 H SER A 90 80.963 -10.487 -15.146 1.00 0.00 H new ATOM 0 HA SER A 90 82.608 -12.433 -13.649 1.00 0.00 H new ATOM 0 HB2 SER A 90 84.376 -11.790 -15.259 1.00 0.00 H new ATOM 0 HB3 SER A 90 82.950 -12.354 -16.107 1.00 0.00 H new ATOM 0 HG SER A 90 82.506 -9.785 -15.778 1.00 0.00 H new ATOM 1145 N GLY A 91 82.235 -9.483 -12.827 1.00 0.00 N ATOM 1146 CA GLY A 91 82.664 -8.381 -11.973 1.00 0.00 C ATOM 1147 C GLY A 91 81.740 -8.236 -10.771 1.00 0.00 C ATOM 1148 O GLY A 91 80.511 -8.248 -10.913 1.00 0.00 O ATOM 0 H GLY A 91 81.236 -9.496 -13.033 1.00 0.00 H new ATOM 0 HA2 GLY A 91 83.685 -8.555 -11.633 1.00 0.00 H new ATOM 0 HA3 GLY A 91 82.672 -7.453 -12.545 1.00 0.00 H new ATOM 1152 N ARG A 92 82.336 -8.094 -9.590 1.00 0.00 N ATOM 1153 CA ARG A 92 81.559 -7.945 -8.366 1.00 0.00 C ATOM 1154 C ARG A 92 82.207 -6.918 -7.441 1.00 0.00 C ATOM 1155 O ARG A 92 83.413 -6.688 -7.502 1.00 0.00 O ATOM 1156 CB ARG A 92 81.452 -9.289 -7.648 1.00 0.00 C ATOM 1157 CG ARG A 92 80.745 -10.299 -8.558 1.00 0.00 C ATOM 1158 CD ARG A 92 80.391 -11.549 -7.753 1.00 0.00 C ATOM 1159 NE ARG A 92 81.603 -12.140 -7.188 1.00 0.00 N ATOM 1160 CZ ARG A 92 81.964 -11.906 -5.928 1.00 0.00 C ATOM 1161 NH1 ARG A 92 83.046 -12.449 -5.448 1.00 0.00 N ATOM 1162 NH2 ARG A 92 81.237 -11.124 -5.173 1.00 0.00 N ATOM 0 H ARG A 92 83.347 -8.079 -9.456 1.00 0.00 H new ATOM 0 HA ARG A 92 80.561 -7.597 -8.632 1.00 0.00 H new ATOM 0 HB2 ARG A 92 82.445 -9.653 -7.385 1.00 0.00 H new ATOM 0 HB3 ARG A 92 80.898 -9.173 -6.716 1.00 0.00 H new ATOM 0 HG2 ARG A 92 79.842 -9.856 -8.978 1.00 0.00 H new ATOM 0 HG3 ARG A 92 81.390 -10.564 -9.396 1.00 0.00 H new ATOM 0 HD2 ARG A 92 79.695 -11.292 -6.954 1.00 0.00 H new ATOM 0 HD3 ARG A 92 79.888 -12.273 -8.393 1.00 0.00 H new ATOM 0 HE ARG A 92 82.183 -12.743 -7.771 1.00 0.00 H new ATOM 0 HH11 ARG A 92 83.618 -13.054 -6.037 1.00 0.00 H new ATOM 0 HH12 ARG A 92 83.322 -12.269 -4.483 1.00 0.00 H new ATOM 0 HH21 ARG A 92 80.393 -10.693 -5.549 1.00 0.00 H new ATOM 0 HH22 ARG A 92 81.514 -10.945 -4.208 1.00 0.00 H new ATOM 1176 N VAL A 93 81.394 -6.305 -6.586 1.00 0.00 N ATOM 1177 CA VAL A 93 81.894 -5.304 -5.651 1.00 0.00 C ATOM 1178 C VAL A 93 81.275 -5.498 -4.271 1.00 0.00 C ATOM 1179 O VAL A 93 80.187 -6.060 -4.143 1.00 0.00 O ATOM 1180 CB VAL A 93 81.579 -3.900 -6.164 1.00 0.00 C ATOM 1181 CG1 VAL A 93 81.848 -2.880 -5.056 1.00 0.00 C ATOM 1182 CG2 VAL A 93 82.468 -3.588 -7.369 1.00 0.00 C ATOM 0 H VAL A 93 80.392 -6.483 -6.522 1.00 0.00 H new ATOM 0 HA VAL A 93 82.974 -5.423 -5.570 1.00 0.00 H new ATOM 0 HB VAL A 93 80.531 -3.847 -6.460 1.00 0.00 H new ATOM 0 HG11 VAL A 93 81.623 -1.878 -5.422 1.00 0.00 H new ATOM 0 HG12 VAL A 93 81.217 -3.102 -4.196 1.00 0.00 H new ATOM 0 HG13 VAL A 93 82.896 -2.932 -4.760 1.00 0.00 H new ATOM 0 HG21 VAL A 93 82.245 -2.586 -7.736 1.00 0.00 H new ATOM 0 HG22 VAL A 93 83.515 -3.640 -7.072 1.00 0.00 H new ATOM 0 HG23 VAL A 93 82.278 -4.315 -8.159 1.00 0.00 H new ATOM 1192 N TYR A 94 81.978 -5.036 -3.240 1.00 0.00 N ATOM 1193 CA TYR A 94 81.485 -5.175 -1.874 1.00 0.00 C ATOM 1194 C TYR A 94 80.929 -3.848 -1.371 1.00 0.00 C ATOM 1195 O TYR A 94 81.509 -2.787 -1.617 1.00 0.00 O ATOM 1196 CB TYR A 94 82.622 -5.626 -0.956 1.00 0.00 C ATOM 1197 CG TYR A 94 83.066 -7.014 -1.349 1.00 0.00 C ATOM 1198 CD1 TYR A 94 84.052 -7.182 -2.329 1.00 0.00 C ATOM 1199 CD2 TYR A 94 82.491 -8.134 -0.737 1.00 0.00 C ATOM 1200 CE1 TYR A 94 84.465 -8.469 -2.694 1.00 0.00 C ATOM 1201 CE2 TYR A 94 82.904 -9.421 -1.101 1.00 0.00 C ATOM 1202 CZ TYR A 94 83.890 -9.589 -2.082 1.00 0.00 C ATOM 1203 OH TYR A 94 84.296 -10.857 -2.442 1.00 0.00 O ATOM 0 H TYR A 94 82.880 -4.568 -3.323 1.00 0.00 H new ATOM 0 HA TYR A 94 80.689 -5.920 -1.867 1.00 0.00 H new ATOM 0 HB2 TYR A 94 83.459 -4.931 -1.028 1.00 0.00 H new ATOM 0 HB3 TYR A 94 82.290 -5.619 0.082 1.00 0.00 H new ATOM 0 HD1 TYR A 94 84.494 -6.318 -2.803 1.00 0.00 H new ATOM 0 HD2 TYR A 94 81.728 -8.005 0.017 1.00 0.00 H new ATOM 0 HE1 TYR A 94 85.227 -8.598 -3.448 1.00 0.00 H new ATOM 0 HE2 TYR A 94 82.463 -10.284 -0.626 1.00 0.00 H new ATOM 0 HH TYR A 94 83.798 -11.520 -1.921 1.00 0.00 H new ATOM 1213 N VAL A 95 79.792 -3.913 -0.678 1.00 0.00 N ATOM 1214 CA VAL A 95 79.163 -2.710 -0.149 1.00 0.00 C ATOM 1215 C VAL A 95 78.880 -2.861 1.340 1.00 0.00 C ATOM 1216 O VAL A 95 78.227 -3.811 1.758 1.00 0.00 O ATOM 1217 CB VAL A 95 77.857 -2.435 -0.897 1.00 0.00 C ATOM 1218 CG1 VAL A 95 77.180 -1.196 -0.309 1.00 0.00 C ATOM 1219 CG2 VAL A 95 78.156 -2.197 -2.378 1.00 0.00 C ATOM 0 H VAL A 95 79.294 -4.779 -0.473 1.00 0.00 H new ATOM 0 HA VAL A 95 79.846 -1.872 -0.290 1.00 0.00 H new ATOM 0 HB VAL A 95 77.194 -3.294 -0.793 1.00 0.00 H new ATOM 0 HG11 VAL A 95 76.250 -1.002 -0.843 1.00 0.00 H new ATOM 0 HG12 VAL A 95 76.964 -1.365 0.746 1.00 0.00 H new ATOM 0 HG13 VAL A 95 77.843 -0.337 -0.410 1.00 0.00 H new ATOM 0 HG21 VAL A 95 77.225 -2.001 -2.910 1.00 0.00 H new ATOM 0 HG22 VAL A 95 78.821 -1.339 -2.482 1.00 0.00 H new ATOM 0 HG23 VAL A 95 78.636 -3.081 -2.799 1.00 0.00 H new ATOM 1229 N LEU A 96 79.363 -1.909 2.133 1.00 0.00 N ATOM 1230 CA LEU A 96 79.143 -1.941 3.574 1.00 0.00 C ATOM 1231 C LEU A 96 78.124 -0.889 3.982 1.00 0.00 C ATOM 1232 O LEU A 96 78.151 0.230 3.472 1.00 0.00 O ATOM 1233 CB LEU A 96 80.462 -1.693 4.309 1.00 0.00 C ATOM 1234 CG LEU A 96 81.286 -2.982 4.323 1.00 0.00 C ATOM 1235 CD1 LEU A 96 82.749 -2.649 4.621 1.00 0.00 C ATOM 1236 CD2 LEU A 96 80.749 -3.923 5.411 1.00 0.00 C ATOM 0 H LEU A 96 79.906 -1.111 1.804 1.00 0.00 H new ATOM 0 HA LEU A 96 78.758 -2.925 3.843 1.00 0.00 H new ATOM 0 HB2 LEU A 96 81.021 -0.897 3.818 1.00 0.00 H new ATOM 0 HB3 LEU A 96 80.266 -1.362 5.329 1.00 0.00 H new ATOM 0 HG LEU A 96 81.212 -3.469 3.350 1.00 0.00 H new ATOM 0 HD11 LEU A 96 83.336 -3.567 4.631 1.00 0.00 H new ATOM 0 HD12 LEU A 96 83.134 -1.980 3.851 1.00 0.00 H new ATOM 0 HD13 LEU A 96 82.820 -2.162 5.593 1.00 0.00 H new ATOM 0 HD21 LEU A 96 81.336 -4.841 5.420 1.00 0.00 H new ATOM 0 HD22 LEU A 96 80.823 -3.435 6.383 1.00 0.00 H new ATOM 0 HD23 LEU A 96 79.706 -4.162 5.203 1.00 0.00 H new ATOM 1248 N LYS A 97 77.224 -1.252 4.897 1.00 0.00 N ATOM 1249 CA LYS A 97 76.196 -0.325 5.353 1.00 0.00 C ATOM 1250 C LYS A 97 76.229 -0.202 6.872 1.00 0.00 C ATOM 1251 O LYS A 97 76.261 -1.206 7.586 1.00 0.00 O ATOM 1252 CB LYS A 97 74.821 -0.817 4.903 1.00 0.00 C ATOM 1253 CG LYS A 97 73.768 0.236 5.252 1.00 0.00 C ATOM 1254 CD LYS A 97 72.414 -0.193 4.687 1.00 0.00 C ATOM 1255 CE LYS A 97 71.360 0.865 5.026 1.00 0.00 C ATOM 1256 NZ LYS A 97 71.720 2.153 4.368 1.00 0.00 N ATOM 0 H LYS A 97 77.188 -2.174 5.332 1.00 0.00 H new ATOM 0 HA LYS A 97 76.389 0.656 4.918 1.00 0.00 H new ATOM 0 HB2 LYS A 97 74.823 -1.004 3.829 1.00 0.00 H new ATOM 0 HB3 LYS A 97 74.583 -1.762 5.391 1.00 0.00 H new ATOM 0 HG2 LYS A 97 73.702 0.355 6.333 1.00 0.00 H new ATOM 0 HG3 LYS A 97 74.056 1.204 4.841 1.00 0.00 H new ATOM 0 HD2 LYS A 97 72.483 -0.320 3.607 1.00 0.00 H new ATOM 0 HD3 LYS A 97 72.123 -1.157 5.103 1.00 0.00 H new ATOM 0 HE2 LYS A 97 70.377 0.535 4.690 1.00 0.00 H new ATOM 0 HE3 LYS A 97 71.299 1.000 6.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 70.904 2.797 4.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 72.520 2.588 4.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 71.988 1.975 3.379 1.00 0.00 H new ATOM 1270 N PHE A 98 76.222 1.033 7.359 1.00 0.00 N ATOM 1271 CA PHE A 98 76.253 1.274 8.796 1.00 0.00 C ATOM 1272 C PHE A 98 74.836 1.336 9.357 1.00 0.00 C ATOM 1273 O PHE A 98 74.086 2.269 9.073 1.00 0.00 O ATOM 1274 CB PHE A 98 76.976 2.593 9.085 1.00 0.00 C ATOM 1275 CG PHE A 98 78.448 2.438 8.780 1.00 0.00 C ATOM 1276 CD1 PHE A 98 78.901 2.511 7.457 1.00 0.00 C ATOM 1277 CD2 PHE A 98 79.360 2.217 9.820 1.00 0.00 C ATOM 1278 CE1 PHE A 98 80.265 2.371 7.175 1.00 0.00 C ATOM 1279 CE2 PHE A 98 80.724 2.078 9.537 1.00 0.00 C ATOM 1280 CZ PHE A 98 81.176 2.150 8.214 1.00 0.00 C ATOM 0 H PHE A 98 76.195 1.876 6.786 1.00 0.00 H new ATOM 0 HA PHE A 98 76.786 0.453 9.275 1.00 0.00 H new ATOM 0 HB2 PHE A 98 76.551 3.393 8.480 1.00 0.00 H new ATOM 0 HB3 PHE A 98 76.838 2.875 10.129 1.00 0.00 H new ATOM 0 HD1 PHE A 98 78.198 2.675 6.654 1.00 0.00 H new ATOM 0 HD2 PHE A 98 79.011 2.154 10.840 1.00 0.00 H new ATOM 0 HE1 PHE A 98 80.614 2.434 6.155 1.00 0.00 H new ATOM 0 HE2 PHE A 98 81.428 1.915 10.340 1.00 0.00 H new ATOM 0 HZ PHE A 98 82.227 2.035 7.995 1.00 0.00 H new ATOM 1290 N LYS A 99 74.481 0.335 10.159 1.00 0.00 N ATOM 1291 CA LYS A 99 73.152 0.284 10.756 1.00 0.00 C ATOM 1292 C LYS A 99 72.921 1.489 11.662 1.00 0.00 C ATOM 1293 O LYS A 99 71.782 1.908 11.872 1.00 0.00 O ATOM 1294 CB LYS A 99 72.985 -1.006 11.561 1.00 0.00 C ATOM 1295 CG LYS A 99 72.896 -2.196 10.603 1.00 0.00 C ATOM 1296 CD LYS A 99 72.684 -3.481 11.406 1.00 0.00 C ATOM 1297 CE LYS A 99 72.542 -4.665 10.447 1.00 0.00 C ATOM 1298 NZ LYS A 99 72.321 -5.914 11.230 1.00 0.00 N ATOM 0 H LYS A 99 75.090 -0.445 10.408 1.00 0.00 H new ATOM 0 HA LYS A 99 72.416 0.305 9.952 1.00 0.00 H new ATOM 0 HB2 LYS A 99 73.827 -1.135 12.241 1.00 0.00 H new ATOM 0 HB3 LYS A 99 72.086 -0.951 12.174 1.00 0.00 H new ATOM 0 HG2 LYS A 99 72.073 -2.052 9.902 1.00 0.00 H new ATOM 0 HG3 LYS A 99 73.809 -2.270 10.012 1.00 0.00 H new ATOM 0 HD2 LYS A 99 73.525 -3.644 12.080 1.00 0.00 H new ATOM 0 HD3 LYS A 99 71.792 -3.392 12.026 1.00 0.00 H new ATOM 0 HE2 LYS A 99 71.708 -4.497 9.766 1.00 0.00 H new ATOM 0 HE3 LYS A 99 73.439 -4.761 9.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 72.224 -6.719 10.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 73.131 -6.075 11.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 71.453 -5.820 11.796 1.00 0.00 H new ATOM 1312 N ALA A 100 74.005 2.044 12.187 1.00 0.00 N ATOM 1313 CA ALA A 100 73.908 3.208 13.060 1.00 0.00 C ATOM 1314 C ALA A 100 73.371 4.410 12.289 1.00 0.00 C ATOM 1315 O ALA A 100 72.798 5.330 12.873 1.00 0.00 O ATOM 1316 CB ALA A 100 75.284 3.543 13.639 1.00 0.00 C ATOM 0 H ALA A 100 74.955 1.711 12.026 1.00 0.00 H new ATOM 0 HA ALA A 100 73.220 2.974 13.873 1.00 0.00 H new ATOM 0 HB1 ALA A 100 75.203 4.414 14.290 1.00 0.00 H new ATOM 0 HB2 ALA A 100 75.654 2.694 14.214 1.00 0.00 H new ATOM 0 HB3 ALA A 100 75.977 3.761 12.827 1.00 0.00 H new ATOM 1322 N GLY A 101 73.564 4.399 10.973 1.00 0.00 N ATOM 1323 CA GLY A 101 73.097 5.495 10.131 1.00 0.00 C ATOM 1324 C GLY A 101 72.633 4.977 8.774 1.00 0.00 C ATOM 1325 O GLY A 101 71.813 4.061 8.694 1.00 0.00 O ATOM 0 H GLY A 101 74.037 3.649 10.470 1.00 0.00 H new ATOM 0 HA2 GLY A 101 72.277 6.016 10.626 1.00 0.00 H new ATOM 0 HA3 GLY A 101 73.899 6.221 9.993 1.00 0.00 H new ATOM 1329 N SER A 102 73.159 5.571 7.709 1.00 0.00 N ATOM 1330 CA SER A 102 72.794 5.162 6.357 1.00 0.00 C ATOM 1331 C SER A 102 73.978 5.320 5.410 1.00 0.00 C ATOM 1332 O SER A 102 73.807 5.390 4.194 1.00 0.00 O ATOM 1333 CB SER A 102 71.622 6.003 5.857 1.00 0.00 C ATOM 1334 OG SER A 102 70.501 5.804 6.709 1.00 0.00 O ATOM 0 H SER A 102 73.836 6.333 7.754 1.00 0.00 H new ATOM 0 HA SER A 102 72.503 4.112 6.382 1.00 0.00 H new ATOM 0 HB2 SER A 102 71.898 7.057 5.840 1.00 0.00 H new ATOM 0 HB3 SER A 102 71.370 5.723 4.834 1.00 0.00 H new ATOM 0 HG SER A 102 69.748 6.344 6.391 1.00 0.00 H new ATOM 1340 N LYS A 103 75.178 5.384 5.977 1.00 0.00 N ATOM 1341 CA LYS A 103 76.386 5.540 5.175 1.00 0.00 C ATOM 1342 C LYS A 103 76.696 4.259 4.410 1.00 0.00 C ATOM 1343 O LYS A 103 76.533 3.159 4.939 1.00 0.00 O ATOM 1344 CB LYS A 103 77.570 5.895 6.075 1.00 0.00 C ATOM 1345 CG LYS A 103 78.756 6.330 5.211 1.00 0.00 C ATOM 1346 CD LYS A 103 80.015 5.589 5.662 1.00 0.00 C ATOM 1347 CE LYS A 103 81.196 6.006 4.786 1.00 0.00 C ATOM 1348 NZ LYS A 103 82.470 5.579 5.431 1.00 0.00 N ATOM 0 H LYS A 103 75.340 5.331 6.983 1.00 0.00 H new ATOM 0 HA LYS A 103 76.218 6.345 4.459 1.00 0.00 H new ATOM 0 HB2 LYS A 103 77.292 6.696 6.760 1.00 0.00 H new ATOM 0 HB3 LYS A 103 77.847 5.035 6.685 1.00 0.00 H new ATOM 0 HG2 LYS A 103 78.552 6.117 4.162 1.00 0.00 H new ATOM 0 HG3 LYS A 103 78.905 7.406 5.295 1.00 0.00 H new ATOM 0 HD2 LYS A 103 80.227 5.814 6.707 1.00 0.00 H new ATOM 0 HD3 LYS A 103 79.860 4.512 5.593 1.00 0.00 H new ATOM 0 HE2 LYS A 103 81.107 5.554 3.798 1.00 0.00 H new ATOM 0 HE3 LYS A 103 81.193 7.087 4.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 83.273 5.863 4.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 82.555 6.030 6.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 82.472 4.545 5.545 1.00 0.00 H new ATOM 1362 N ARG A 104 77.143 4.410 3.166 1.00 0.00 N ATOM 1363 CA ARG A 104 77.476 3.256 2.339 1.00 0.00 C ATOM 1364 C ARG A 104 78.914 3.356 1.843 1.00 0.00 C ATOM 1365 O ARG A 104 79.326 4.390 1.314 1.00 0.00 O ATOM 1366 CB ARG A 104 76.528 3.177 1.143 1.00 0.00 C ATOM 1367 CG ARG A 104 76.302 4.580 0.576 1.00 0.00 C ATOM 1368 CD ARG A 104 74.979 5.138 1.102 1.00 0.00 C ATOM 1369 NE ARG A 104 73.865 4.330 0.618 1.00 0.00 N ATOM 1370 CZ ARG A 104 73.358 4.517 -0.598 1.00 0.00 C ATOM 1371 NH1 ARG A 104 72.361 3.782 -1.009 1.00 0.00 N ATOM 1372 NH2 ARG A 104 73.860 5.432 -1.380 1.00 0.00 N ATOM 0 H ARG A 104 77.282 5.313 2.712 1.00 0.00 H new ATOM 0 HA ARG A 104 77.370 2.355 2.944 1.00 0.00 H new ATOM 0 HB2 ARG A 104 76.947 2.527 0.376 1.00 0.00 H new ATOM 0 HB3 ARG A 104 75.577 2.739 1.447 1.00 0.00 H new ATOM 0 HG2 ARG A 104 77.124 5.236 0.862 1.00 0.00 H new ATOM 0 HG3 ARG A 104 76.286 4.545 -0.513 1.00 0.00 H new ATOM 0 HD2 ARG A 104 74.986 5.145 2.192 1.00 0.00 H new ATOM 0 HD3 ARG A 104 74.857 6.171 0.777 1.00 0.00 H new ATOM 0 HE ARG A 104 73.468 3.610 1.222 1.00 0.00 H new ATOM 0 HH11 ARG A 104 71.971 3.064 -0.398 1.00 0.00 H new ATOM 0 HH12 ARG A 104 71.972 3.925 -1.941 1.00 0.00 H new ATOM 0 HH21 ARG A 104 74.641 6.004 -1.060 1.00 0.00 H new ATOM 0 HH22 ARG A 104 73.471 5.575 -2.312 1.00 0.00 H new ATOM 1386 N LEU A 105 79.672 2.276 2.015 1.00 0.00 N ATOM 1387 CA LEU A 105 81.064 2.253 1.579 1.00 0.00 C ATOM 1388 C LEU A 105 81.278 1.159 0.539 1.00 0.00 C ATOM 1389 O LEU A 105 81.078 -0.023 0.820 1.00 0.00 O ATOM 1390 CB LEU A 105 81.983 2.008 2.779 1.00 0.00 C ATOM 1391 CG LEU A 105 83.343 2.663 2.525 1.00 0.00 C ATOM 1392 CD1 LEU A 105 84.235 2.482 3.753 1.00 0.00 C ATOM 1393 CD2 LEU A 105 84.007 2.010 1.311 1.00 0.00 C ATOM 0 H LEU A 105 79.348 1.412 2.450 1.00 0.00 H new ATOM 0 HA LEU A 105 81.303 3.217 1.131 1.00 0.00 H new ATOM 0 HB2 LEU A 105 81.534 2.418 3.684 1.00 0.00 H new ATOM 0 HB3 LEU A 105 82.108 0.938 2.942 1.00 0.00 H new ATOM 0 HG LEU A 105 83.202 3.727 2.333 1.00 0.00 H new ATOM 0 HD11 LEU A 105 85.203 2.949 3.571 1.00 0.00 H new ATOM 0 HD12 LEU A 105 83.763 2.949 4.617 1.00 0.00 H new ATOM 0 HD13 LEU A 105 84.375 1.419 3.947 1.00 0.00 H new ATOM 0 HD21 LEU A 105 84.975 2.477 1.131 1.00 0.00 H new ATOM 0 HD22 LEU A 105 84.147 0.946 1.501 1.00 0.00 H new ATOM 0 HD23 LEU A 105 83.372 2.141 0.435 1.00 0.00 H new ATOM 1405 N PHE A 106 81.687 1.561 -0.661 1.00 0.00 N ATOM 1406 CA PHE A 106 81.927 0.607 -1.739 1.00 0.00 C ATOM 1407 C PHE A 106 83.417 0.510 -2.050 1.00 0.00 C ATOM 1408 O PHE A 106 84.074 1.518 -2.309 1.00 0.00 O ATOM 1409 CB PHE A 106 81.169 1.041 -2.994 1.00 0.00 C ATOM 1410 CG PHE A 106 80.507 2.377 -2.747 1.00 0.00 C ATOM 1411 CD1 PHE A 106 81.287 3.529 -2.603 1.00 0.00 C ATOM 1412 CD2 PHE A 106 79.111 2.461 -2.662 1.00 0.00 C ATOM 1413 CE1 PHE A 106 80.674 4.767 -2.376 1.00 0.00 C ATOM 1414 CE2 PHE A 106 78.498 3.698 -2.434 1.00 0.00 C ATOM 1415 CZ PHE A 106 79.279 4.851 -2.291 1.00 0.00 C ATOM 0 H PHE A 106 81.858 2.535 -0.911 1.00 0.00 H new ATOM 0 HA PHE A 106 81.572 -0.372 -1.418 1.00 0.00 H new ATOM 0 HB2 PHE A 106 81.854 1.113 -3.839 1.00 0.00 H new ATOM 0 HB3 PHE A 106 80.419 0.294 -3.255 1.00 0.00 H new ATOM 0 HD1 PHE A 106 82.363 3.463 -2.667 1.00 0.00 H new ATOM 0 HD2 PHE A 106 78.508 1.572 -2.772 1.00 0.00 H new ATOM 0 HE1 PHE A 106 81.277 5.657 -2.267 1.00 0.00 H new ATOM 0 HE2 PHE A 106 77.422 3.763 -2.368 1.00 0.00 H new ATOM 0 HZ PHE A 106 78.805 5.806 -2.115 1.00 0.00 H new ATOM 1425 N PHE A 107 83.944 -0.711 -2.023 1.00 0.00 N ATOM 1426 CA PHE A 107 85.358 -0.927 -2.304 1.00 0.00 C ATOM 1427 C PHE A 107 85.587 -2.350 -2.817 1.00 0.00 C ATOM 1428 O PHE A 107 84.670 -3.180 -2.812 1.00 0.00 O ATOM 1429 CB PHE A 107 86.186 -0.698 -1.039 1.00 0.00 C ATOM 1430 CG PHE A 107 86.179 -1.951 -0.199 1.00 0.00 C ATOM 1431 CD1 PHE A 107 87.339 -2.731 -0.100 1.00 0.00 C ATOM 1432 CD2 PHE A 107 85.018 -2.332 0.481 1.00 0.00 C ATOM 1433 CE1 PHE A 107 87.333 -3.896 0.675 1.00 0.00 C ATOM 1434 CE2 PHE A 107 85.013 -3.499 1.255 1.00 0.00 C ATOM 1435 CZ PHE A 107 86.173 -4.278 1.357 1.00 0.00 C ATOM 0 H PHE A 107 83.418 -1.559 -1.811 1.00 0.00 H new ATOM 0 HA PHE A 107 85.670 -0.219 -3.071 1.00 0.00 H new ATOM 0 HB2 PHE A 107 87.209 -0.431 -1.305 1.00 0.00 H new ATOM 0 HB3 PHE A 107 85.777 0.136 -0.470 1.00 0.00 H new ATOM 0 HD1 PHE A 107 88.237 -2.433 -0.621 1.00 0.00 H new ATOM 0 HD2 PHE A 107 84.126 -1.727 0.409 1.00 0.00 H new ATOM 0 HE1 PHE A 107 88.225 -4.501 0.747 1.00 0.00 H new ATOM 0 HE2 PHE A 107 84.114 -3.799 1.774 1.00 0.00 H new ATOM 0 HZ PHE A 107 86.172 -5.173 1.962 1.00 0.00 H new ATOM 1445 N TRP A 108 86.808 -2.618 -3.269 1.00 0.00 N ATOM 1446 CA TRP A 108 87.150 -3.932 -3.791 1.00 0.00 C ATOM 1447 C TRP A 108 88.550 -4.338 -3.338 1.00 0.00 C ATOM 1448 O TRP A 108 89.381 -3.490 -3.021 1.00 0.00 O ATOM 1449 CB TRP A 108 87.087 -3.917 -5.321 1.00 0.00 C ATOM 1450 CG TRP A 108 87.924 -2.793 -5.840 1.00 0.00 C ATOM 1451 CD1 TRP A 108 87.713 -1.478 -5.581 1.00 0.00 C ATOM 1452 CD2 TRP A 108 89.080 -2.851 -6.726 1.00 0.00 C ATOM 1453 NE1 TRP A 108 88.679 -0.735 -6.227 1.00 0.00 N ATOM 1454 CE2 TRP A 108 89.545 -1.532 -6.946 1.00 0.00 C ATOM 1455 CE3 TRP A 108 89.776 -3.909 -7.337 1.00 0.00 C ATOM 1456 CZ2 TRP A 108 90.648 -1.272 -7.758 1.00 0.00 C ATOM 1457 CZ3 TRP A 108 90.888 -3.649 -8.157 1.00 0.00 C ATOM 1458 CH2 TRP A 108 91.325 -2.335 -8.361 1.00 0.00 C ATOM 0 H TRP A 108 87.573 -1.944 -3.284 1.00 0.00 H new ATOM 0 HA TRP A 108 86.432 -4.657 -3.406 1.00 0.00 H new ATOM 0 HB2 TRP A 108 87.445 -4.866 -5.720 1.00 0.00 H new ATOM 0 HB3 TRP A 108 86.055 -3.800 -5.653 1.00 0.00 H new ATOM 0 HD1 TRP A 108 86.918 -1.078 -4.969 1.00 0.00 H new ATOM 0 HE1 TRP A 108 88.745 0.282 -6.179 1.00 0.00 H new ATOM 0 HE3 TRP A 108 89.454 -4.927 -7.175 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 90.977 -0.256 -7.920 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 91.408 -4.468 -8.632 1.00 0.00 H new ATOM 0 HH2 TRP A 108 92.186 -2.143 -8.985 1.00 0.00 H new ATOM 1469 N MET A 109 88.790 -5.642 -3.296 1.00 0.00 N ATOM 1470 CA MET A 109 90.081 -6.173 -2.865 1.00 0.00 C ATOM 1471 C MET A 109 91.164 -5.903 -3.908 1.00 0.00 C ATOM 1472 O MET A 109 91.691 -6.819 -4.535 1.00 0.00 O ATOM 1473 CB MET A 109 89.974 -7.672 -2.585 1.00 0.00 C ATOM 1474 CG MET A 109 90.014 -7.913 -1.077 1.00 0.00 C ATOM 1475 SD MET A 109 88.675 -6.995 -0.279 1.00 0.00 S ATOM 1476 CE MET A 109 89.144 -7.351 1.431 1.00 0.00 C ATOM 0 H MET A 109 88.108 -6.354 -3.555 1.00 0.00 H new ATOM 0 HA MET A 109 90.365 -5.663 -1.944 1.00 0.00 H new ATOM 0 HB2 MET A 109 89.047 -8.065 -3.002 1.00 0.00 H new ATOM 0 HB3 MET A 109 90.793 -8.203 -3.071 1.00 0.00 H new ATOM 0 HG2 MET A 109 89.914 -8.978 -0.866 1.00 0.00 H new ATOM 0 HG3 MET A 109 90.976 -7.597 -0.674 1.00 0.00 H new ATOM 0 HE1 MET A 109 88.438 -6.872 2.109 1.00 0.00 H new ATOM 0 HE2 MET A 109 89.130 -8.428 1.595 1.00 0.00 H new ATOM 0 HE3 MET A 109 90.147 -6.968 1.621 1.00 0.00 H new ATOM 1486 N GLN A 110 91.469 -4.634 -4.125 1.00 0.00 N ATOM 1487 CA GLN A 110 92.476 -4.273 -5.117 1.00 0.00 C ATOM 1488 C GLN A 110 93.837 -4.822 -4.709 1.00 0.00 C ATOM 1489 O GLN A 110 94.814 -4.684 -5.439 1.00 0.00 O ATOM 1490 CB GLN A 110 92.557 -2.746 -5.241 1.00 0.00 C ATOM 1491 CG GLN A 110 93.657 -2.201 -4.320 1.00 0.00 C ATOM 1492 CD GLN A 110 93.574 -0.685 -4.234 1.00 0.00 C ATOM 1493 OE1 GLN A 110 93.623 -0.121 -3.141 1.00 0.00 O ATOM 1494 NE2 GLN A 110 93.433 0.015 -5.328 1.00 0.00 N ATOM 0 H GLN A 110 91.043 -3.846 -3.638 1.00 0.00 H new ATOM 0 HA GLN A 110 92.192 -4.702 -6.078 1.00 0.00 H new ATOM 0 HB2 GLN A 110 92.765 -2.468 -6.274 1.00 0.00 H new ATOM 0 HB3 GLN A 110 91.598 -2.300 -4.978 1.00 0.00 H new ATOM 0 HG2 GLN A 110 93.555 -2.634 -3.325 1.00 0.00 H new ATOM 0 HG3 GLN A 110 94.636 -2.497 -4.697 1.00 0.00 H new ATOM 0 HE21 GLN A 110 93.393 -0.455 -6.232 1.00 0.00 H new ATOM 0 HE22 GLN A 110 93.363 1.031 -5.278 1.00 0.00 H new ATOM 1503 N GLU A 111 93.899 -5.419 -3.521 1.00 0.00 N ATOM 1504 CA GLU A 111 95.152 -5.944 -3.016 1.00 0.00 C ATOM 1505 C GLU A 111 95.704 -7.014 -3.963 1.00 0.00 C ATOM 1506 O GLU A 111 94.935 -7.747 -4.593 1.00 0.00 O ATOM 1507 CB GLU A 111 94.948 -6.539 -1.626 1.00 0.00 C ATOM 1508 CG GLU A 111 94.090 -7.800 -1.728 1.00 0.00 C ATOM 1509 CD GLU A 111 93.700 -8.282 -0.336 1.00 0.00 C ATOM 1510 OE1 GLU A 111 94.037 -7.605 0.619 1.00 0.00 O ATOM 1511 OE2 GLU A 111 93.070 -9.324 -0.248 1.00 0.00 O ATOM 0 H GLU A 111 93.100 -5.548 -2.900 1.00 0.00 H new ATOM 0 HA GLU A 111 95.870 -5.126 -2.953 1.00 0.00 H new ATOM 0 HB2 GLU A 111 95.912 -6.778 -1.177 1.00 0.00 H new ATOM 0 HB3 GLU A 111 94.465 -5.810 -0.975 1.00 0.00 H new ATOM 0 HG2 GLU A 111 93.194 -7.593 -2.314 1.00 0.00 H new ATOM 0 HG3 GLU A 111 94.640 -8.582 -2.251 1.00 0.00 H new ATOM 1518 N PRO A 112 97.002 -7.125 -4.064 1.00 0.00 N ATOM 1519 CA PRO A 112 97.657 -8.129 -4.951 1.00 0.00 C ATOM 1520 C PRO A 112 97.131 -9.543 -4.717 1.00 0.00 C ATOM 1521 O PRO A 112 96.910 -10.297 -5.666 1.00 0.00 O ATOM 1522 CB PRO A 112 99.134 -8.040 -4.561 1.00 0.00 C ATOM 1523 CG PRO A 112 99.313 -6.675 -3.991 1.00 0.00 C ATOM 1524 CD PRO A 112 97.993 -6.304 -3.347 1.00 0.00 C ATOM 0 HA PRO A 112 97.466 -7.924 -6.005 1.00 0.00 H new ATOM 0 HB2 PRO A 112 99.394 -8.807 -3.832 1.00 0.00 H new ATOM 0 HB3 PRO A 112 99.778 -8.191 -5.427 1.00 0.00 H new ATOM 0 HG2 PRO A 112 100.120 -6.663 -3.258 1.00 0.00 H new ATOM 0 HG3 PRO A 112 99.579 -5.961 -4.770 1.00 0.00 H new ATOM 0 HD2 PRO A 112 97.995 -6.523 -2.279 1.00 0.00 H new ATOM 0 HD3 PRO A 112 97.782 -5.240 -3.454 1.00 0.00 H new ATOM 1532 N LYS A 113 96.926 -9.896 -3.453 1.00 0.00 N ATOM 1533 CA LYS A 113 96.429 -11.223 -3.113 1.00 0.00 C ATOM 1534 C LYS A 113 94.921 -11.304 -3.323 1.00 0.00 C ATOM 1535 O LYS A 113 94.144 -10.827 -2.499 1.00 0.00 O ATOM 1536 CB LYS A 113 96.758 -11.546 -1.653 1.00 0.00 C ATOM 1537 CG LYS A 113 98.267 -11.752 -1.502 1.00 0.00 C ATOM 1538 CD LYS A 113 98.590 -12.129 -0.055 1.00 0.00 C ATOM 1539 CE LYS A 113 100.103 -12.279 0.109 1.00 0.00 C ATOM 1540 NZ LYS A 113 100.596 -13.370 -0.779 1.00 0.00 N ATOM 0 H LYS A 113 97.095 -9.287 -2.653 1.00 0.00 H new ATOM 0 HA LYS A 113 96.915 -11.948 -3.766 1.00 0.00 H new ATOM 0 HB2 LYS A 113 96.425 -10.734 -1.006 1.00 0.00 H new ATOM 0 HB3 LYS A 113 96.225 -12.443 -1.339 1.00 0.00 H new ATOM 0 HG2 LYS A 113 98.607 -12.537 -2.178 1.00 0.00 H new ATOM 0 HG3 LYS A 113 98.798 -10.841 -1.779 1.00 0.00 H new ATOM 0 HD2 LYS A 113 98.214 -11.363 0.624 1.00 0.00 H new ATOM 0 HD3 LYS A 113 98.091 -13.061 0.209 1.00 0.00 H new ATOM 0 HE2 LYS A 113 100.601 -11.341 -0.139 1.00 0.00 H new ATOM 0 HE3 LYS A 113 100.346 -12.504 1.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 101.529 -13.691 -0.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 99.927 -14.166 -0.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 100.676 -13.015 -1.753 1.00 0.00 H new ATOM 1554 N THR A 114 94.517 -11.926 -4.426 1.00 0.00 N ATOM 1555 CA THR A 114 93.100 -12.079 -4.736 1.00 0.00 C ATOM 1556 C THR A 114 92.686 -13.542 -4.648 1.00 0.00 C ATOM 1557 O THR A 114 91.529 -13.885 -4.895 1.00 0.00 O ATOM 1558 CB THR A 114 92.812 -11.543 -6.139 1.00 0.00 C ATOM 1559 OG1 THR A 114 93.654 -12.199 -7.076 1.00 0.00 O ATOM 1560 CG2 THR A 114 93.071 -10.036 -6.178 1.00 0.00 C ATOM 0 H THR A 114 95.148 -12.331 -5.118 1.00 0.00 H new ATOM 0 HA THR A 114 92.524 -11.510 -4.007 1.00 0.00 H new ATOM 0 HB THR A 114 91.769 -11.733 -6.394 1.00 0.00 H new ATOM 0 HG1 THR A 114 93.470 -11.858 -7.976 1.00 0.00 H new ATOM 0 HG21 THR A 114 92.865 -9.657 -7.179 1.00 0.00 H new ATOM 0 HG22 THR A 114 92.421 -9.536 -5.460 1.00 0.00 H new ATOM 0 HG23 THR A 114 94.112 -9.839 -5.923 1.00 0.00 H new ATOM 1568 N ASP A 115 93.637 -14.401 -4.297 1.00 0.00 N ATOM 1569 CA ASP A 115 93.356 -15.828 -4.178 1.00 0.00 C ATOM 1570 C ASP A 115 92.936 -16.182 -2.756 1.00 0.00 C ATOM 1571 O ASP A 115 92.379 -17.252 -2.516 1.00 0.00 O ATOM 1572 CB ASP A 115 94.597 -16.637 -4.562 1.00 0.00 C ATOM 1573 CG ASP A 115 94.917 -16.434 -6.039 1.00 0.00 C ATOM 1574 OD1 ASP A 115 93.988 -16.227 -6.803 1.00 0.00 O ATOM 1575 OD2 ASP A 115 96.086 -16.481 -6.385 1.00 0.00 O ATOM 0 H ASP A 115 94.601 -14.138 -4.091 1.00 0.00 H new ATOM 0 HA ASP A 115 92.536 -16.072 -4.854 1.00 0.00 H new ATOM 0 HB2 ASP A 115 95.446 -16.328 -3.952 1.00 0.00 H new ATOM 0 HB3 ASP A 115 94.428 -17.695 -4.360 1.00 0.00 H new ATOM 1580 N GLN A 116 93.203 -15.273 -1.819 1.00 0.00 N ATOM 1581 CA GLN A 116 92.849 -15.497 -0.424 1.00 0.00 C ATOM 1582 C GLN A 116 91.853 -14.446 0.045 1.00 0.00 C ATOM 1583 O GLN A 116 91.649 -14.264 1.244 1.00 0.00 O ATOM 1584 CB GLN A 116 94.105 -15.442 0.447 1.00 0.00 C ATOM 1585 CG GLN A 116 95.099 -16.511 -0.014 1.00 0.00 C ATOM 1586 CD GLN A 116 94.497 -17.900 0.177 1.00 0.00 C ATOM 1587 OE1 GLN A 116 94.178 -18.579 -0.799 1.00 0.00 O ATOM 1588 NE2 GLN A 116 94.325 -18.364 1.384 1.00 0.00 N ATOM 0 H GLN A 116 93.661 -14.380 -2.002 1.00 0.00 H new ATOM 0 HA GLN A 116 92.390 -16.482 -0.334 1.00 0.00 H new ATOM 0 HB2 GLN A 116 94.562 -14.454 0.382 1.00 0.00 H new ATOM 0 HB3 GLN A 116 93.842 -15.603 1.492 1.00 0.00 H new ATOM 0 HG2 GLN A 116 95.352 -16.356 -1.063 1.00 0.00 H new ATOM 0 HG3 GLN A 116 96.026 -16.426 0.553 1.00 0.00 H new ATOM 0 HE21 GLN A 116 94.590 -17.799 2.190 1.00 0.00 H new ATOM 0 HE22 GLN A 116 93.925 -19.292 1.521 1.00 0.00 H new ATOM 1597 N ASP A 117 91.246 -13.746 -0.906 1.00 0.00 N ATOM 1598 CA ASP A 117 90.284 -12.707 -0.577 1.00 0.00 C ATOM 1599 C ASP A 117 89.073 -13.293 0.142 1.00 0.00 C ATOM 1600 O ASP A 117 88.461 -12.636 0.984 1.00 0.00 O ATOM 1601 CB ASP A 117 89.828 -11.989 -1.850 1.00 0.00 C ATOM 1602 CG ASP A 117 89.222 -12.995 -2.823 1.00 0.00 C ATOM 1603 OD1 ASP A 117 89.289 -14.178 -2.537 1.00 0.00 O ATOM 1604 OD2 ASP A 117 88.700 -12.567 -3.839 1.00 0.00 O ATOM 0 H ASP A 117 91.403 -13.879 -1.905 1.00 0.00 H new ATOM 0 HA ASP A 117 90.771 -11.993 0.087 1.00 0.00 H new ATOM 0 HB2 ASP A 117 89.094 -11.222 -1.603 1.00 0.00 H new ATOM 0 HB3 ASP A 117 90.674 -11.483 -2.316 1.00 0.00 H new ATOM 1609 N GLU A 118 88.727 -14.527 -0.204 1.00 0.00 N ATOM 1610 CA GLU A 118 87.585 -15.187 0.406 1.00 0.00 C ATOM 1611 C GLU A 118 87.809 -15.380 1.902 1.00 0.00 C ATOM 1612 O GLU A 118 86.932 -15.087 2.712 1.00 0.00 O ATOM 1613 CB GLU A 118 87.356 -16.548 -0.258 1.00 0.00 C ATOM 1614 CG GLU A 118 86.109 -17.208 0.340 1.00 0.00 C ATOM 1615 CD GLU A 118 85.851 -18.548 -0.341 1.00 0.00 C ATOM 1616 OE1 GLU A 118 86.606 -18.892 -1.235 1.00 0.00 O ATOM 1617 OE2 GLU A 118 84.904 -19.212 0.046 1.00 0.00 O ATOM 0 H GLU A 118 89.219 -15.086 -0.900 1.00 0.00 H new ATOM 0 HA GLU A 118 86.707 -14.558 0.263 1.00 0.00 H new ATOM 0 HB2 GLU A 118 87.233 -16.423 -1.334 1.00 0.00 H new ATOM 0 HB3 GLU A 118 88.226 -17.188 -0.109 1.00 0.00 H new ATOM 0 HG2 GLU A 118 86.244 -17.355 1.412 1.00 0.00 H new ATOM 0 HG3 GLU A 118 85.246 -16.555 0.214 1.00 0.00 H new ATOM 1624 N GLU A 119 88.986 -15.881 2.260 1.00 0.00 N ATOM 1625 CA GLU A 119 89.306 -16.121 3.657 1.00 0.00 C ATOM 1626 C GLU A 119 89.332 -14.813 4.435 1.00 0.00 C ATOM 1627 O GLU A 119 88.831 -14.736 5.554 1.00 0.00 O ATOM 1628 CB GLU A 119 90.669 -16.812 3.770 1.00 0.00 C ATOM 1629 CG GLU A 119 90.574 -18.238 3.219 1.00 0.00 C ATOM 1630 CD GLU A 119 89.630 -19.073 4.077 1.00 0.00 C ATOM 1631 OE1 GLU A 119 89.734 -18.986 5.290 1.00 0.00 O ATOM 1632 OE2 GLU A 119 88.813 -19.780 3.511 1.00 0.00 O ATOM 0 H GLU A 119 89.728 -16.127 1.605 1.00 0.00 H new ATOM 0 HA GLU A 119 88.535 -16.765 4.080 1.00 0.00 H new ATOM 0 HB2 GLU A 119 91.420 -16.248 3.217 1.00 0.00 H new ATOM 0 HB3 GLU A 119 90.990 -16.835 4.811 1.00 0.00 H new ATOM 0 HG2 GLU A 119 90.217 -18.215 2.190 1.00 0.00 H new ATOM 0 HG3 GLU A 119 91.563 -18.696 3.203 1.00 0.00 H new ATOM 1639 N HIS A 120 89.908 -13.783 3.828 1.00 0.00 N ATOM 1640 CA HIS A 120 89.980 -12.476 4.470 1.00 0.00 C ATOM 1641 C HIS A 120 88.583 -11.902 4.672 1.00 0.00 C ATOM 1642 O HIS A 120 88.271 -11.384 5.733 1.00 0.00 O ATOM 1643 CB HIS A 120 90.807 -11.518 3.611 1.00 0.00 C ATOM 1644 CG HIS A 120 92.268 -11.836 3.765 1.00 0.00 C ATOM 1645 ND1 HIS A 120 92.878 -12.868 3.070 1.00 0.00 N ATOM 1646 CD2 HIS A 120 93.254 -11.269 4.534 1.00 0.00 C ATOM 1647 CE1 HIS A 120 94.173 -12.890 3.431 1.00 0.00 C ATOM 1648 NE2 HIS A 120 94.457 -11.936 4.321 1.00 0.00 N ATOM 0 H HIS A 120 90.329 -13.826 2.900 1.00 0.00 H new ATOM 0 HA HIS A 120 90.456 -12.595 5.443 1.00 0.00 H new ATOM 0 HB2 HIS A 120 90.514 -11.606 2.565 1.00 0.00 H new ATOM 0 HB3 HIS A 120 90.615 -10.488 3.910 1.00 0.00 H new ATOM 0 HD1 HIS A 120 92.427 -13.497 2.405 1.00 0.00 H new ATOM 0 HD2 HIS A 120 93.117 -10.432 5.203 1.00 0.00 H new ATOM 0 HE1 HIS A 120 94.896 -13.594 3.047 1.00 0.00 H new ATOM 0 HE2 HIS A 120 95.360 -11.739 4.752 1.00 0.00 H new ATOM 1656 N CYS A 121 87.746 -12.012 3.649 1.00 0.00 N ATOM 1657 CA CYS A 121 86.380 -11.505 3.726 1.00 0.00 C ATOM 1658 C CYS A 121 85.571 -12.305 4.741 1.00 0.00 C ATOM 1659 O CYS A 121 84.775 -11.756 5.494 1.00 0.00 O ATOM 1660 CB CYS A 121 85.714 -11.587 2.353 1.00 0.00 C ATOM 1661 SG CYS A 121 86.476 -10.384 1.237 1.00 0.00 S ATOM 0 H CYS A 121 87.987 -12.446 2.758 1.00 0.00 H new ATOM 0 HA CYS A 121 86.414 -10.464 4.047 1.00 0.00 H new ATOM 0 HB2 CYS A 121 85.819 -12.593 1.946 1.00 0.00 H new ATOM 0 HB3 CYS A 121 84.646 -11.389 2.443 1.00 0.00 H new ATOM 0 HG CYS A 121 87.556 -10.893 0.722 1.00 0.00 H new ATOM 1667 N ARG A 122 85.769 -13.614 4.747 1.00 0.00 N ATOM 1668 CA ARG A 122 85.057 -14.483 5.676 1.00 0.00 C ATOM 1669 C ARG A 122 85.569 -14.292 7.098 1.00 0.00 C ATOM 1670 O ARG A 122 84.793 -14.286 8.054 1.00 0.00 O ATOM 1671 CB ARG A 122 85.226 -15.944 5.257 1.00 0.00 C ATOM 1672 CG ARG A 122 84.470 -16.197 3.951 1.00 0.00 C ATOM 1673 CD ARG A 122 83.029 -16.612 4.264 1.00 0.00 C ATOM 1674 NE ARG A 122 82.275 -16.786 3.028 1.00 0.00 N ATOM 1675 CZ ARG A 122 80.997 -17.148 3.051 1.00 0.00 C ATOM 1676 NH1 ARG A 122 80.342 -17.296 1.931 1.00 0.00 N ATOM 1677 NH2 ARG A 122 80.397 -17.357 4.190 1.00 0.00 N ATOM 0 H ARG A 122 86.414 -14.098 4.122 1.00 0.00 H new ATOM 0 HA ARG A 122 84.000 -14.219 5.651 1.00 0.00 H new ATOM 0 HB2 ARG A 122 86.283 -16.175 5.127 1.00 0.00 H new ATOM 0 HB3 ARG A 122 84.850 -16.603 6.040 1.00 0.00 H new ATOM 0 HG2 ARG A 122 84.475 -15.297 3.336 1.00 0.00 H new ATOM 0 HG3 ARG A 122 84.968 -16.978 3.376 1.00 0.00 H new ATOM 0 HD2 ARG A 122 83.026 -17.541 4.834 1.00 0.00 H new ATOM 0 HD3 ARG A 122 82.552 -15.855 4.886 1.00 0.00 H new ATOM 0 HE ARG A 122 82.736 -16.627 2.132 1.00 0.00 H new ATOM 0 HH11 ARG A 122 80.812 -17.134 1.040 1.00 0.00 H new ATOM 0 HH12 ARG A 122 79.361 -17.574 1.947 1.00 0.00 H new ATOM 0 HH21 ARG A 122 80.909 -17.243 5.065 1.00 0.00 H new ATOM 0 HH22 ARG A 122 79.416 -17.635 4.206 1.00 0.00 H new ATOM 1691 N LYS A 123 86.883 -14.152 7.231 1.00 0.00 N ATOM 1692 CA LYS A 123 87.492 -13.973 8.546 1.00 0.00 C ATOM 1693 C LYS A 123 87.135 -12.619 9.136 1.00 0.00 C ATOM 1694 O LYS A 123 86.800 -12.522 10.316 1.00 0.00 O ATOM 1695 CB LYS A 123 89.018 -14.097 8.433 1.00 0.00 C ATOM 1696 CG LYS A 123 89.397 -15.566 8.219 1.00 0.00 C ATOM 1697 CD LYS A 123 89.465 -16.283 9.570 1.00 0.00 C ATOM 1698 CE LYS A 123 88.838 -17.670 9.444 1.00 0.00 C ATOM 1699 NZ LYS A 123 89.554 -18.448 8.396 1.00 0.00 N ATOM 0 H LYS A 123 87.543 -14.159 6.453 1.00 0.00 H new ATOM 0 HA LYS A 123 87.106 -14.749 9.207 1.00 0.00 H new ATOM 0 HB2 LYS A 123 89.382 -13.492 7.603 1.00 0.00 H new ATOM 0 HB3 LYS A 123 89.492 -13.716 9.337 1.00 0.00 H new ATOM 0 HG2 LYS A 123 88.663 -16.051 7.575 1.00 0.00 H new ATOM 0 HG3 LYS A 123 90.359 -15.633 7.712 1.00 0.00 H new ATOM 0 HD2 LYS A 123 90.502 -16.369 9.896 1.00 0.00 H new ATOM 0 HD3 LYS A 123 88.940 -15.703 10.328 1.00 0.00 H new ATOM 0 HE2 LYS A 123 88.891 -18.192 10.399 1.00 0.00 H new ATOM 0 HE3 LYS A 123 87.782 -17.581 9.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 89.416 -19.465 8.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 89.178 -18.197 7.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 90.569 -18.226 8.432 1.00 0.00 H new ATOM 1713 N VAL A 124 87.190 -11.582 8.308 1.00 0.00 N ATOM 1714 CA VAL A 124 86.869 -10.238 8.767 1.00 0.00 C ATOM 1715 C VAL A 124 85.384 -10.143 9.102 1.00 0.00 C ATOM 1716 O VAL A 124 84.987 -9.391 9.989 1.00 0.00 O ATOM 1717 CB VAL A 124 87.231 -9.214 7.690 1.00 0.00 C ATOM 1718 CG1 VAL A 124 86.043 -8.995 6.756 1.00 0.00 C ATOM 1719 CG2 VAL A 124 87.616 -7.893 8.348 1.00 0.00 C ATOM 0 H VAL A 124 87.452 -11.646 7.324 1.00 0.00 H new ATOM 0 HA VAL A 124 87.449 -10.023 9.665 1.00 0.00 H new ATOM 0 HB VAL A 124 88.074 -9.590 7.111 1.00 0.00 H new ATOM 0 HG11 VAL A 124 86.310 -8.264 5.993 1.00 0.00 H new ATOM 0 HG12 VAL A 124 85.777 -9.938 6.278 1.00 0.00 H new ATOM 0 HG13 VAL A 124 85.193 -8.626 7.329 1.00 0.00 H new ATOM 0 HG21 VAL A 124 87.874 -7.165 7.579 1.00 0.00 H new ATOM 0 HG22 VAL A 124 86.776 -7.520 8.934 1.00 0.00 H new ATOM 0 HG23 VAL A 124 88.474 -8.049 9.002 1.00 0.00 H new ATOM 1729 N ASN A 125 84.573 -10.906 8.376 1.00 0.00 N ATOM 1730 CA ASN A 125 83.136 -10.910 8.610 1.00 0.00 C ATOM 1731 C ASN A 125 82.821 -11.482 9.984 1.00 0.00 C ATOM 1732 O ASN A 125 81.995 -10.949 10.723 1.00 0.00 O ATOM 1733 CB ASN A 125 82.426 -11.731 7.533 1.00 0.00 C ATOM 1734 CG ASN A 125 80.922 -11.732 7.781 1.00 0.00 C ATOM 1735 OD1 ASN A 125 80.473 -12.092 8.870 1.00 0.00 O ATOM 1736 ND2 ASN A 125 80.112 -11.352 6.833 1.00 0.00 N ATOM 0 H ASN A 125 84.884 -11.524 7.627 1.00 0.00 H new ATOM 0 HA ASN A 125 82.779 -9.881 8.567 1.00 0.00 H new ATOM 0 HB2 ASN A 125 82.640 -11.315 6.548 1.00 0.00 H new ATOM 0 HB3 ASN A 125 82.804 -12.754 7.536 1.00 0.00 H new ATOM 0 HD21 ASN A 125 79.105 -11.352 6.992 1.00 0.00 H new ATOM 0 HD22 ASN A 125 80.486 -11.054 5.932 1.00 0.00 H new ATOM 1743 N GLU A 126 83.490 -12.582 10.323 1.00 0.00 N ATOM 1744 CA GLU A 126 83.274 -13.229 11.615 1.00 0.00 C ATOM 1745 C GLU A 126 83.671 -12.298 12.755 1.00 0.00 C ATOM 1746 O GLU A 126 82.958 -12.181 13.752 1.00 0.00 O ATOM 1747 CB GLU A 126 84.096 -14.515 11.699 1.00 0.00 C ATOM 1748 CG GLU A 126 83.505 -15.564 10.755 1.00 0.00 C ATOM 1749 CD GLU A 126 84.409 -16.791 10.706 1.00 0.00 C ATOM 1750 OE1 GLU A 126 85.541 -16.687 11.148 1.00 0.00 O ATOM 1751 OE2 GLU A 126 83.954 -17.819 10.231 1.00 0.00 O ATOM 0 H GLU A 126 84.180 -13.040 9.728 1.00 0.00 H new ATOM 0 HA GLU A 126 82.214 -13.467 11.706 1.00 0.00 H new ATOM 0 HB2 GLU A 126 85.133 -14.314 11.432 1.00 0.00 H new ATOM 0 HB3 GLU A 126 84.098 -14.891 12.722 1.00 0.00 H new ATOM 0 HG2 GLU A 126 82.509 -15.849 11.093 1.00 0.00 H new ATOM 0 HG3 GLU A 126 83.394 -15.144 9.755 1.00 0.00 H new ATOM 1758 N TYR A 127 84.811 -11.631 12.594 1.00 0.00 N ATOM 1759 CA TYR A 127 85.292 -10.705 13.618 1.00 0.00 C ATOM 1760 C TYR A 127 84.326 -9.533 13.779 1.00 0.00 C ATOM 1761 O TYR A 127 84.049 -9.094 14.896 1.00 0.00 O ATOM 1762 CB TYR A 127 86.675 -10.182 13.239 1.00 0.00 C ATOM 1763 CG TYR A 127 87.730 -11.146 13.729 1.00 0.00 C ATOM 1764 CD1 TYR A 127 87.715 -12.478 13.298 1.00 0.00 C ATOM 1765 CD2 TYR A 127 88.723 -10.708 14.616 1.00 0.00 C ATOM 1766 CE1 TYR A 127 88.695 -13.371 13.748 1.00 0.00 C ATOM 1767 CE2 TYR A 127 89.702 -11.602 15.065 1.00 0.00 C ATOM 1768 CZ TYR A 127 89.687 -12.933 14.635 1.00 0.00 C ATOM 1769 OH TYR A 127 90.651 -13.814 15.080 1.00 0.00 O ATOM 0 H TYR A 127 85.413 -11.712 11.775 1.00 0.00 H new ATOM 0 HA TYR A 127 85.354 -11.240 14.565 1.00 0.00 H new ATOM 0 HB2 TYR A 127 86.748 -10.066 12.158 1.00 0.00 H new ATOM 0 HB3 TYR A 127 86.836 -9.197 13.677 1.00 0.00 H new ATOM 0 HD1 TYR A 127 86.947 -12.817 12.618 1.00 0.00 H new ATOM 0 HD2 TYR A 127 88.733 -9.682 14.953 1.00 0.00 H new ATOM 0 HE1 TYR A 127 88.686 -14.397 13.411 1.00 0.00 H new ATOM 0 HE2 TYR A 127 90.470 -11.264 15.745 1.00 0.00 H new ATOM 0 HH TYR A 127 91.263 -13.349 15.688 1.00 0.00 H new ATOM 1779 N LEU A 128 83.816 -9.036 12.657 1.00 0.00 N ATOM 1780 CA LEU A 128 82.875 -7.925 12.684 1.00 0.00 C ATOM 1781 C LEU A 128 81.461 -8.415 12.949 1.00 0.00 C ATOM 1782 O LEU A 128 80.575 -7.626 13.281 1.00 0.00 O ATOM 1783 CB LEU A 128 82.921 -7.172 11.351 1.00 0.00 C ATOM 1784 CG LEU A 128 84.234 -6.390 11.245 1.00 0.00 C ATOM 1785 CD1 LEU A 128 84.428 -5.911 9.805 1.00 0.00 C ATOM 1786 CD2 LEU A 128 84.188 -5.174 12.182 1.00 0.00 C ATOM 0 H LEU A 128 84.037 -9.383 11.724 1.00 0.00 H new ATOM 0 HA LEU A 128 83.163 -7.253 13.493 1.00 0.00 H new ATOM 0 HB2 LEU A 128 82.837 -7.875 10.522 1.00 0.00 H new ATOM 0 HB3 LEU A 128 82.074 -6.490 11.278 1.00 0.00 H new ATOM 0 HG LEU A 128 85.063 -7.038 11.531 1.00 0.00 H new ATOM 0 HD11 LEU A 128 85.362 -5.355 9.729 1.00 0.00 H new ATOM 0 HD12 LEU A 128 84.463 -6.772 9.137 1.00 0.00 H new ATOM 0 HD13 LEU A 128 83.597 -5.265 9.521 1.00 0.00 H new ATOM 0 HD21 LEU A 128 85.123 -4.619 12.105 1.00 0.00 H new ATOM 0 HD22 LEU A 128 83.358 -4.527 11.898 1.00 0.00 H new ATOM 0 HD23 LEU A 128 84.050 -5.511 13.209 1.00 0.00 H new ATOM 1798 N ASN A 129 81.257 -9.719 12.803 1.00 0.00 N ATOM 1799 CA ASN A 129 79.944 -10.307 13.032 1.00 0.00 C ATOM 1800 C ASN A 129 79.926 -11.077 14.349 1.00 0.00 C ATOM 1801 O ASN A 129 78.952 -11.760 14.666 1.00 0.00 O ATOM 1802 CB ASN A 129 79.585 -11.249 11.883 1.00 0.00 C ATOM 1803 CG ASN A 129 78.163 -11.769 12.060 1.00 0.00 C ATOM 1804 OD1 ASN A 129 77.955 -12.812 12.681 1.00 0.00 O ATOM 1805 ND2 ASN A 129 77.165 -11.102 11.548 1.00 0.00 N ATOM 0 H ASN A 129 81.979 -10.385 12.529 1.00 0.00 H new ATOM 0 HA ASN A 129 79.210 -9.503 13.083 1.00 0.00 H new ATOM 0 HB2 ASN A 129 79.674 -10.725 10.931 1.00 0.00 H new ATOM 0 HB3 ASN A 129 80.285 -12.084 11.854 1.00 0.00 H new ATOM 0 HD21 ASN A 129 76.211 -11.444 11.662 1.00 0.00 H new ATOM 0 HD22 ASN A 129 77.339 -10.238 11.034 1.00 0.00 H new ATOM 1862 N PRO B 942 96.309 -6.829 -10.274 1.00 0.00 N ATOM 1863 CA PRO B 942 94.830 -6.988 -10.192 1.00 0.00 C ATOM 1864 C PRO B 942 94.100 -6.143 -11.232 1.00 0.00 C ATOM 1865 O PRO B 942 94.538 -5.041 -11.567 1.00 0.00 O ATOM 1866 CB PRO B 942 94.500 -6.520 -8.773 1.00 0.00 C ATOM 1867 CG PRO B 942 95.608 -5.600 -8.392 1.00 0.00 C ATOM 1868 CD PRO B 942 96.847 -6.108 -9.109 1.00 0.00 C ATOM 0 HA PRO B 942 94.514 -8.011 -10.394 1.00 0.00 H new ATOM 0 HB2 PRO B 942 93.537 -6.010 -8.742 1.00 0.00 H new ATOM 0 HB3 PRO B 942 94.436 -7.364 -8.086 1.00 0.00 H new ATOM 0 HG2 PRO B 942 95.381 -4.575 -8.686 1.00 0.00 H new ATOM 0 HG3 PRO B 942 95.757 -5.597 -7.312 1.00 0.00 H new ATOM 0 HD2 PRO B 942 97.498 -5.288 -9.412 1.00 0.00 H new ATOM 0 HD3 PRO B 942 97.438 -6.765 -8.470 1.00 0.00 H new ATOM 1876 N GLU B 943 92.985 -6.673 -11.737 1.00 0.00 N ATOM 1877 CA GLU B 943 92.210 -5.970 -12.737 1.00 0.00 C ATOM 1878 C GLU B 943 91.098 -5.139 -12.076 1.00 0.00 C ATOM 1879 O GLU B 943 90.219 -5.699 -11.411 1.00 0.00 O ATOM 1880 CB GLU B 943 91.594 -6.945 -13.729 1.00 0.00 C ATOM 1881 CG GLU B 943 92.716 -7.690 -14.455 1.00 0.00 C ATOM 1882 CD GLU B 943 92.122 -8.689 -15.440 1.00 0.00 C ATOM 1883 OE1 GLU B 943 90.908 -8.808 -15.472 1.00 0.00 O ATOM 1884 OE2 GLU B 943 92.889 -9.320 -16.149 1.00 0.00 O ATOM 0 H GLU B 943 92.608 -7.581 -11.466 1.00 0.00 H new ATOM 0 HA GLU B 943 92.886 -5.302 -13.271 1.00 0.00 H new ATOM 0 HB2 GLU B 943 90.947 -7.652 -13.210 1.00 0.00 H new ATOM 0 HB3 GLU B 943 90.971 -6.410 -14.446 1.00 0.00 H new ATOM 0 HG2 GLU B 943 93.353 -6.981 -14.983 1.00 0.00 H new ATOM 0 HG3 GLU B 943 93.346 -8.209 -13.733 1.00 0.00 H new ATOM 1891 N PRO B 944 91.125 -3.836 -12.234 1.00 0.00 N ATOM 1892 CA PRO B 944 90.116 -2.938 -11.630 1.00 0.00 C ATOM 1893 C PRO B 944 88.760 -3.027 -12.332 1.00 0.00 C ATOM 1894 O PRO B 944 88.684 -3.386 -13.508 1.00 0.00 O ATOM 1895 CB PRO B 944 90.728 -1.545 -11.795 1.00 0.00 C ATOM 1896 CG PRO B 944 91.641 -1.652 -12.964 1.00 0.00 C ATOM 1897 CD PRO B 944 92.123 -3.088 -13.012 1.00 0.00 C ATOM 0 HA PRO B 944 89.908 -3.199 -10.592 1.00 0.00 H new ATOM 0 HB2 PRO B 944 89.956 -0.794 -11.966 1.00 0.00 H new ATOM 0 HB3 PRO B 944 91.271 -1.245 -10.898 1.00 0.00 H new ATOM 0 HG2 PRO B 944 91.122 -1.387 -13.885 1.00 0.00 H new ATOM 0 HG3 PRO B 944 92.481 -0.965 -12.863 1.00 0.00 H new ATOM 0 HD2 PRO B 944 92.182 -3.453 -14.037 1.00 0.00 H new ATOM 0 HD3 PRO B 944 93.119 -3.187 -12.580 1.00 0.00 H new ATOM 1905 N PRO B 945 87.704 -2.696 -11.638 1.00 0.00 N ATOM 1906 CA PRO B 945 86.324 -2.722 -12.199 1.00 0.00 C ATOM 1907 C PRO B 945 86.113 -1.638 -13.251 1.00 0.00 C ATOM 1908 O PRO B 945 87.041 -0.906 -13.593 1.00 0.00 O ATOM 1909 CB PRO B 945 85.430 -2.483 -10.982 1.00 0.00 C ATOM 1910 CG PRO B 945 86.290 -1.779 -9.991 1.00 0.00 C ATOM 1911 CD PRO B 945 87.712 -2.262 -10.233 1.00 0.00 C ATOM 0 HA PRO B 945 86.109 -3.660 -12.711 1.00 0.00 H new ATOM 0 HB2 PRO B 945 84.561 -1.881 -11.246 1.00 0.00 H new ATOM 0 HB3 PRO B 945 85.056 -3.424 -10.579 1.00 0.00 H new ATOM 0 HG2 PRO B 945 86.221 -0.698 -10.116 1.00 0.00 H new ATOM 0 HG3 PRO B 945 85.972 -2.003 -8.973 1.00 0.00 H new ATOM 0 HD2 PRO B 945 88.438 -1.467 -10.065 1.00 0.00 H new ATOM 0 HD3 PRO B 945 87.975 -3.081 -9.563 1.00 0.00 H new ATOM 1919 N GLU B 946 84.891 -1.555 -13.773 1.00 0.00 N ATOM 1920 CA GLU B 946 84.571 -0.574 -14.792 1.00 0.00 C ATOM 1921 C GLU B 946 83.593 0.462 -14.251 1.00 0.00 C ATOM 1922 O GLU B 946 82.806 0.181 -13.347 1.00 0.00 O ATOM 1923 CB GLU B 946 83.959 -1.267 -16.014 1.00 0.00 C ATOM 1924 CG GLU B 946 83.060 -2.412 -15.555 1.00 0.00 C ATOM 1925 CD GLU B 946 82.367 -3.044 -16.757 1.00 0.00 C ATOM 1926 OE1 GLU B 946 82.492 -2.502 -17.842 1.00 0.00 O ATOM 1927 OE2 GLU B 946 81.725 -4.066 -16.574 1.00 0.00 O ATOM 0 H GLU B 946 84.112 -2.156 -13.504 1.00 0.00 H new ATOM 0 HA GLU B 946 85.492 -0.070 -15.084 1.00 0.00 H new ATOM 0 HB2 GLU B 946 83.383 -0.551 -16.600 1.00 0.00 H new ATOM 0 HB3 GLU B 946 84.748 -1.648 -16.662 1.00 0.00 H new ATOM 0 HG2 GLU B 946 83.652 -3.162 -15.030 1.00 0.00 H new ATOM 0 HG3 GLU B 946 82.316 -2.041 -14.849 1.00 0.00 H new ATOM 1934 N PRO B 947 83.630 1.647 -14.785 1.00 0.00 N ATOM 1935 CA PRO B 947 82.736 2.759 -14.352 1.00 0.00 C ATOM 1936 C PRO B 947 81.262 2.431 -14.564 1.00 0.00 C ATOM 1937 O PRO B 947 80.852 2.071 -15.671 1.00 0.00 O ATOM 1938 CB PRO B 947 83.162 3.943 -15.232 1.00 0.00 C ATOM 1939 CG PRO B 947 83.907 3.348 -16.372 1.00 0.00 C ATOM 1940 CD PRO B 947 84.534 2.073 -15.865 1.00 0.00 C ATOM 0 HA PRO B 947 82.831 2.961 -13.285 1.00 0.00 H new ATOM 0 HB2 PRO B 947 82.295 4.504 -15.581 1.00 0.00 H new ATOM 0 HB3 PRO B 947 83.789 4.639 -14.675 1.00 0.00 H new ATOM 0 HG2 PRO B 947 83.237 3.144 -17.207 1.00 0.00 H new ATOM 0 HG3 PRO B 947 84.670 4.036 -16.736 1.00 0.00 H new ATOM 0 HD2 PRO B 947 84.603 1.320 -16.650 1.00 0.00 H new ATOM 0 HD3 PRO B 947 85.546 2.243 -15.497 1.00 0.00 H new ATOM 1948 N PHE B 948 80.459 2.595 -13.509 1.00 0.00 N ATOM 1949 CA PHE B 948 79.026 2.340 -13.617 1.00 0.00 C ATOM 1950 C PHE B 948 78.263 3.261 -12.675 1.00 0.00 C ATOM 1951 O PHE B 948 78.771 3.652 -11.627 1.00 0.00 O ATOM 1952 CB PHE B 948 78.719 0.884 -13.271 1.00 0.00 C ATOM 1953 CG PHE B 948 78.854 0.681 -11.781 1.00 0.00 C ATOM 1954 CD1 PHE B 948 77.738 0.856 -10.953 1.00 0.00 C ATOM 1955 CD2 PHE B 948 80.087 0.309 -11.230 1.00 0.00 C ATOM 1956 CE1 PHE B 948 77.858 0.669 -9.572 1.00 0.00 C ATOM 1957 CE2 PHE B 948 80.202 0.122 -9.848 1.00 0.00 C ATOM 1958 CZ PHE B 948 79.087 0.298 -9.020 1.00 0.00 C ATOM 0 H PHE B 948 80.773 2.898 -12.587 1.00 0.00 H new ATOM 0 HA PHE B 948 78.714 2.534 -14.643 1.00 0.00 H new ATOM 0 HB2 PHE B 948 77.710 0.627 -13.594 1.00 0.00 H new ATOM 0 HB3 PHE B 948 79.402 0.221 -13.802 1.00 0.00 H new ATOM 0 HD1 PHE B 948 76.786 1.135 -11.380 1.00 0.00 H new ATOM 0 HD2 PHE B 948 80.946 0.167 -11.869 1.00 0.00 H new ATOM 0 HE1 PHE B 948 77.000 0.811 -8.932 1.00 0.00 H new ATOM 0 HE2 PHE B 948 81.153 -0.159 -9.419 1.00 0.00 H new ATOM 0 HZ PHE B 948 79.177 0.147 -7.954 1.00 0.00 H new ATOM 1968 N GLU B 949 77.041 3.616 -13.050 1.00 0.00 N ATOM 1969 CA GLU B 949 76.231 4.514 -12.240 1.00 0.00 C ATOM 1970 C GLU B 949 75.431 3.726 -11.206 1.00 0.00 C ATOM 1971 O GLU B 949 74.605 2.884 -11.556 1.00 0.00 O ATOM 1972 CB GLU B 949 75.267 5.297 -13.139 1.00 0.00 C ATOM 1973 CG GLU B 949 76.037 5.887 -14.324 1.00 0.00 C ATOM 1974 CD GLU B 949 75.134 6.821 -15.125 1.00 0.00 C ATOM 1975 OE1 GLU B 949 74.756 7.849 -14.591 1.00 0.00 O ATOM 1976 OE2 GLU B 949 74.836 6.492 -16.262 1.00 0.00 O ATOM 0 H GLU B 949 76.591 3.296 -13.908 1.00 0.00 H new ATOM 0 HA GLU B 949 76.895 5.207 -11.722 1.00 0.00 H new ATOM 0 HB2 GLU B 949 74.474 4.641 -13.498 1.00 0.00 H new ATOM 0 HB3 GLU B 949 74.789 6.094 -12.570 1.00 0.00 H new ATOM 0 HG2 GLU B 949 76.910 6.432 -13.965 1.00 0.00 H new ATOM 0 HG3 GLU B 949 76.403 5.085 -14.965 1.00 0.00 H new ATOM 1983 N TYR B 950 75.666 4.026 -9.931 1.00 0.00 N ATOM 1984 CA TYR B 950 74.946 3.358 -8.857 1.00 0.00 C ATOM 1985 C TYR B 950 73.611 4.043 -8.606 1.00 0.00 C ATOM 1986 O TYR B 950 73.568 5.196 -8.181 1.00 0.00 O ATOM 1987 CB TYR B 950 75.784 3.382 -7.574 1.00 0.00 C ATOM 1988 CG TYR B 950 74.910 3.040 -6.396 1.00 0.00 C ATOM 1989 CD1 TYR B 950 74.531 1.712 -6.164 1.00 0.00 C ATOM 1990 CD2 TYR B 950 74.480 4.052 -5.533 1.00 0.00 C ATOM 1991 CE1 TYR B 950 73.720 1.400 -5.070 1.00 0.00 C ATOM 1992 CE2 TYR B 950 73.667 3.741 -4.439 1.00 0.00 C ATOM 1993 CZ TYR B 950 73.286 2.413 -4.204 1.00 0.00 C ATOM 1994 OH TYR B 950 72.485 2.102 -3.124 1.00 0.00 O ATOM 0 H TYR B 950 76.344 4.722 -9.621 1.00 0.00 H new ATOM 0 HA TYR B 950 74.763 2.325 -9.152 1.00 0.00 H new ATOM 0 HB2 TYR B 950 76.605 2.669 -7.650 1.00 0.00 H new ATOM 0 HB3 TYR B 950 76.229 4.367 -7.436 1.00 0.00 H new ATOM 0 HD1 TYR B 950 74.865 0.930 -6.830 1.00 0.00 H new ATOM 0 HD2 TYR B 950 74.776 5.075 -5.712 1.00 0.00 H new ATOM 0 HE1 TYR B 950 73.427 0.376 -4.891 1.00 0.00 H new ATOM 0 HE2 TYR B 950 73.333 4.524 -3.775 1.00 0.00 H new ATOM 0 HH TYR B 950 72.688 1.194 -2.817 1.00 0.00 H new ATOM 2004 N ILE B 951 72.524 3.322 -8.867 1.00 0.00 N ATOM 2005 CA ILE B 951 71.187 3.869 -8.668 1.00 0.00 C ATOM 2006 C ILE B 951 70.342 2.920 -7.830 1.00 0.00 C ATOM 2007 O ILE B 951 69.925 1.867 -8.305 1.00 0.00 O ATOM 2008 CB ILE B 951 70.515 4.096 -10.023 1.00 0.00 C ATOM 2009 CG1 ILE B 951 69.066 4.531 -9.802 1.00 0.00 C ATOM 2010 CG2 ILE B 951 70.543 2.805 -10.838 1.00 0.00 C ATOM 2011 CD1 ILE B 951 68.532 5.212 -11.064 1.00 0.00 C ATOM 0 H ILE B 951 72.543 2.363 -9.215 1.00 0.00 H new ATOM 0 HA ILE B 951 71.274 4.819 -8.141 1.00 0.00 H new ATOM 0 HB ILE B 951 71.052 4.873 -10.567 1.00 0.00 H new ATOM 0 HG12 ILE B 951 68.450 3.666 -9.556 1.00 0.00 H new ATOM 0 HG13 ILE B 951 69.007 5.215 -8.956 1.00 0.00 H new ATOM 0 HG21 ILE B 951 70.063 2.973 -11.802 1.00 0.00 H new ATOM 0 HG22 ILE B 951 71.577 2.497 -10.996 1.00 0.00 H new ATOM 0 HG23 ILE B 951 70.010 2.022 -10.298 1.00 0.00 H new ATOM 0 HD11 ILE B 951 67.499 5.520 -10.902 1.00 0.00 H new ATOM 0 HD12 ILE B 951 69.141 6.087 -11.290 1.00 0.00 H new ATOM 0 HD13 ILE B 951 68.575 4.514 -11.900 1.00 0.00 H new ATOM 2023 N ASP B 952 70.099 3.298 -6.581 1.00 0.00 N ATOM 2024 CA ASP B 952 69.311 2.463 -5.683 1.00 0.00 C ATOM 2025 C ASP B 952 67.972 2.101 -6.323 1.00 0.00 C ATOM 2026 O ASP B 952 66.944 2.704 -6.027 1.00 0.00 O ATOM 2027 CB ASP B 952 69.066 3.205 -4.367 1.00 0.00 C ATOM 2028 CG ASP B 952 68.254 4.471 -4.624 1.00 0.00 C ATOM 2029 OD1 ASP B 952 68.035 4.785 -5.782 1.00 0.00 O ATOM 2030 OD2 ASP B 952 67.852 5.101 -3.659 1.00 0.00 O ATOM 0 H ASP B 952 70.433 4.170 -6.169 1.00 0.00 H new ATOM 0 HA ASP B 952 69.866 1.545 -5.487 1.00 0.00 H new ATOM 0 HB2 ASP B 952 68.535 2.558 -3.669 1.00 0.00 H new ATOM 0 HB3 ASP B 952 70.018 3.462 -3.902 1.00 0.00 H new ATOM 2035 N ASP B 953 68.000 1.099 -7.190 1.00 0.00 N ATOM 2036 CA ASP B 953 66.783 0.653 -7.863 1.00 0.00 C ATOM 2037 C ASP B 953 66.079 -0.423 -7.039 1.00 0.00 C ATOM 2038 O ASP B 953 66.224 -0.401 -5.829 1.00 0.00 O ATOM 2039 CB ASP B 953 67.121 0.100 -9.248 1.00 0.00 C ATOM 2040 CG ASP B 953 68.192 -0.978 -9.132 1.00 0.00 C ATOM 2041 OD1 ASP B 953 68.606 -1.255 -8.018 1.00 0.00 O ATOM 2042 OD2 ASP B 953 68.587 -1.507 -10.158 1.00 0.00 O ATOM 2043 OXT ASP B 953 65.408 -1.250 -7.633 1.00 0.00 O ATOM 0 H ASP B 953 68.842 0.582 -7.444 1.00 0.00 H new ATOM 0 HA ASP B 953 66.116 1.508 -7.969 1.00 0.00 H new ATOM 0 HB2 ASP B 953 66.226 -0.314 -9.712 1.00 0.00 H new ATOM 0 HB3 ASP B 953 67.472 0.905 -9.894 1.00 0.00 H new