USER MOD reduce.3.24.130724 H: found=0, std=0, add=664, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 665 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 64 GLN : amide:sc= 0 X(o=-0.38,f=-0.38) USER MOD Set 1.2: A 66 HIS :FLIP no HD1:sc= -0.376 F(o=-1.2,f=-0.38) USER MOD Set 2.1: A 33 CYS SG : rot -38:sc= -0.784 USER MOD Set 2.2: A 38 MET CE :methyl -118:sc= -1.54 (180deg=-0.256) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ -174:sc= -0.169 (180deg=-0.209) USER MOD Single : A 21 THR OG1 : rot -78:sc= 0.293 USER MOD Single : A 23 CYS SG : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot -160:sc=-0.00931 USER MOD Single : A 39 LYS NZ :NH3+ -151:sc= 0 (180deg=-0.287) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 GLN : amide:sc= -0.18 K(o=-0.18,f=-0.85) USER MOD Single : A 49 THR OG1 : rot 79:sc= 0.484 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 177:sc= 0.118 (180deg=0.116) USER MOD Single : A 57 LYS NZ :NH3+ -132:sc= 1.57 (180deg=-0.924) USER MOD Single : A 60 ASN : amide:sc= -1.56 X(o=-1.6,f=-1.2) USER MOD Single : A 61 TYR OH : rot -121:sc= -1.3 USER MOD Single : A 70 HIS : +bothHN:sc= -0.9 K(o=-0.9,f=-7.1!) USER MOD Single : A 83 CYS SG : rot 12:sc= 1.13 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 16 -14.885 9.501 3.202 1.00 0.00 N ATOM 2 CA SER A 16 -13.906 8.743 2.433 1.00 0.00 C ATOM 3 C SER A 16 -12.485 9.085 2.870 1.00 0.00 C ATOM 4 O SER A 16 -11.932 10.111 2.471 1.00 0.00 O ATOM 5 CB SER A 16 -14.073 9.024 0.938 1.00 0.00 C ATOM 6 OG SER A 16 -13.029 8.428 0.188 1.00 0.00 O ATOM 0 HA SER A 16 -14.078 7.683 2.619 1.00 0.00 H new ATOM 0 HB2 SER A 16 -15.035 8.640 0.598 1.00 0.00 H new ATOM 0 HB3 SER A 16 -14.080 10.100 0.766 1.00 0.00 H new ATOM 0 HG SER A 16 -13.159 8.621 -0.764 1.00 0.00 H new ATOM 12 N GLU A 17 -11.899 8.220 3.689 1.00 0.00 N ATOM 13 CA GLU A 17 -10.542 8.428 4.181 1.00 0.00 C ATOM 14 C GLU A 17 -9.548 8.486 3.025 1.00 0.00 C ATOM 15 O GLU A 17 -9.930 8.381 1.859 1.00 0.00 O ATOM 16 CB GLU A 17 -10.154 7.308 5.150 1.00 0.00 C ATOM 17 CG GLU A 17 -10.259 7.705 6.613 1.00 0.00 C ATOM 18 CD GLU A 17 -10.838 6.603 7.478 1.00 0.00 C ATOM 19 OE1 GLU A 17 -12.061 6.363 7.394 1.00 0.00 O ATOM 20 OE2 GLU A 17 -10.068 5.980 8.239 1.00 0.00 O ATOM 0 H GLU A 17 -12.343 7.366 4.027 1.00 0.00 H new ATOM 0 HA GLU A 17 -10.513 9.382 4.708 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -10.795 6.445 4.970 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -9.131 6.995 4.940 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -9.270 7.971 6.985 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -10.882 8.595 6.700 1.00 0.00 H new ATOM 27 N PHE A 18 -8.271 8.652 3.354 1.00 0.00 N ATOM 28 CA PHE A 18 -7.223 8.721 2.340 1.00 0.00 C ATOM 29 C PHE A 18 -6.894 7.332 1.812 1.00 0.00 C ATOM 30 O PHE A 18 -6.113 6.599 2.419 1.00 0.00 O ATOM 31 CB PHE A 18 -5.962 9.362 2.920 1.00 0.00 C ATOM 32 CG PHE A 18 -5.148 10.107 1.903 1.00 0.00 C ATOM 33 CD1 PHE A 18 -4.273 9.433 1.065 1.00 0.00 C ATOM 34 CD2 PHE A 18 -5.259 11.482 1.783 1.00 0.00 C ATOM 35 CE1 PHE A 18 -3.526 10.118 0.128 1.00 0.00 C ATOM 36 CE2 PHE A 18 -4.513 12.171 0.848 1.00 0.00 C ATOM 37 CZ PHE A 18 -3.646 11.489 0.019 1.00 0.00 C ATOM 0 H PHE A 18 -7.936 8.741 4.313 1.00 0.00 H new ATOM 0 HA PHE A 18 -7.589 9.334 1.516 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -6.246 10.047 3.719 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -5.344 8.586 3.371 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -4.175 8.361 1.146 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -5.937 12.021 2.428 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -2.848 9.582 -0.519 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -4.608 13.244 0.765 1.00 0.00 H new ATOM 0 HZ PHE A 18 -3.062 12.027 -0.714 1.00 0.00 H new ATOM 47 N LYS A 19 -7.490 6.968 0.685 1.00 0.00 N ATOM 48 CA LYS A 19 -7.248 5.659 0.097 1.00 0.00 C ATOM 49 C LYS A 19 -6.217 5.737 -1.024 1.00 0.00 C ATOM 50 O LYS A 19 -6.423 6.417 -2.032 1.00 0.00 O ATOM 51 CB LYS A 19 -8.553 5.066 -0.436 1.00 0.00 C ATOM 52 CG LYS A 19 -9.351 4.314 0.616 1.00 0.00 C ATOM 53 CD LYS A 19 -10.076 3.120 0.016 1.00 0.00 C ATOM 54 CE LYS A 19 -11.371 2.824 0.756 1.00 0.00 C ATOM 55 NZ LYS A 19 -11.138 2.572 2.206 1.00 0.00 N ATOM 0 H LYS A 19 -8.140 7.556 0.163 1.00 0.00 H new ATOM 0 HA LYS A 19 -6.853 5.011 0.879 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -9.168 5.869 -0.842 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -8.326 4.390 -1.260 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -8.683 3.975 1.408 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -10.075 4.987 1.076 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -10.292 3.315 -1.034 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -9.428 2.244 0.051 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -12.056 3.664 0.639 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -11.854 1.955 0.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -12.028 2.275 2.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -10.427 1.822 2.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -10.796 3.443 2.659 1.00 0.00 H new ATOM 69 N VAL A 20 -5.113 5.022 -0.847 1.00 0.00 N ATOM 70 CA VAL A 20 -4.051 4.991 -1.843 1.00 0.00 C ATOM 71 C VAL A 20 -3.716 3.555 -2.229 1.00 0.00 C ATOM 72 O VAL A 20 -3.723 2.658 -1.385 1.00 0.00 O ATOM 73 CB VAL A 20 -2.773 5.688 -1.339 1.00 0.00 C ATOM 74 CG1 VAL A 20 -2.930 7.200 -1.399 1.00 0.00 C ATOM 75 CG2 VAL A 20 -2.436 5.233 0.074 1.00 0.00 C ATOM 0 H VAL A 20 -4.930 4.454 -0.020 1.00 0.00 H new ATOM 0 HA VAL A 20 -4.420 5.530 -2.716 1.00 0.00 H new ATOM 0 HB VAL A 20 -1.947 5.406 -1.991 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -2.017 7.675 -1.039 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -3.117 7.506 -2.428 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -3.769 7.504 -0.772 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.530 5.736 0.412 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -3.260 5.481 0.743 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.276 4.155 0.081 1.00 0.00 H new ATOM 85 N THR A 21 -3.429 3.343 -3.508 1.00 0.00 N ATOM 86 CA THR A 21 -3.096 2.011 -4.002 1.00 0.00 C ATOM 87 C THR A 21 -1.619 1.915 -4.361 1.00 0.00 C ATOM 88 O THR A 21 -1.174 2.482 -5.357 1.00 0.00 O ATOM 89 CB THR A 21 -3.951 1.668 -5.224 1.00 0.00 C ATOM 90 OG1 THR A 21 -5.303 2.034 -5.008 1.00 0.00 O ATOM 91 CG2 THR A 21 -3.925 0.197 -5.581 1.00 0.00 C ATOM 0 H THR A 21 -3.420 4.073 -4.220 1.00 0.00 H new ATOM 0 HA THR A 21 -3.305 1.296 -3.207 1.00 0.00 H new ATOM 0 HB THR A 21 -3.515 2.232 -6.049 1.00 0.00 H new ATOM 0 HG1 THR A 21 -5.737 1.363 -4.441 1.00 0.00 H new ATOM 0 HG21 THR A 21 -4.552 0.024 -6.456 1.00 0.00 H new ATOM 0 HG22 THR A 21 -2.901 -0.106 -5.802 1.00 0.00 H new ATOM 0 HG23 THR A 21 -4.303 -0.388 -4.742 1.00 0.00 H new ATOM 99 N VAL A 22 -0.862 1.191 -3.544 1.00 0.00 N ATOM 100 CA VAL A 22 0.563 1.017 -3.777 1.00 0.00 C ATOM 101 C VAL A 22 0.851 -0.349 -4.385 1.00 0.00 C ATOM 102 O VAL A 22 0.791 -1.370 -3.699 1.00 0.00 O ATOM 103 CB VAL A 22 1.376 1.171 -2.477 1.00 0.00 C ATOM 104 CG1 VAL A 22 1.698 2.634 -2.217 1.00 0.00 C ATOM 105 CG2 VAL A 22 0.635 0.563 -1.294 1.00 0.00 C ATOM 0 H VAL A 22 -1.214 0.715 -2.713 1.00 0.00 H new ATOM 0 HA VAL A 22 0.866 1.798 -4.474 1.00 0.00 H new ATOM 0 HB VAL A 22 2.314 0.630 -2.599 1.00 0.00 H new ATOM 0 HG11 VAL A 22 2.272 2.722 -1.295 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.282 3.031 -3.047 1.00 0.00 H new ATOM 0 HG13 VAL A 22 0.771 3.199 -2.122 1.00 0.00 H new ATOM 0 HG21 VAL A 22 1.231 0.685 -0.390 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -0.324 1.066 -1.168 1.00 0.00 H new ATOM 0 HG23 VAL A 22 0.467 -0.498 -1.477 1.00 0.00 H new ATOM 115 N CYS A 23 1.160 -0.364 -5.676 1.00 0.00 N ATOM 116 CA CYS A 23 1.455 -1.608 -6.376 1.00 0.00 C ATOM 117 C CYS A 23 2.864 -2.092 -6.055 1.00 0.00 C ATOM 118 O CYS A 23 3.844 -1.591 -6.605 1.00 0.00 O ATOM 119 CB CYS A 23 1.299 -1.419 -7.887 1.00 0.00 C ATOM 120 SG CYS A 23 1.198 -2.965 -8.817 1.00 0.00 S ATOM 0 H CYS A 23 1.213 0.471 -6.259 1.00 0.00 H new ATOM 0 HA CYS A 23 0.745 -2.363 -6.037 1.00 0.00 H new ATOM 0 HB2 CYS A 23 0.400 -0.833 -8.078 1.00 0.00 H new ATOM 0 HB3 CYS A 23 2.143 -0.838 -8.259 1.00 0.00 H new ATOM 0 HG CYS A 23 1.065 -2.702 -10.083 1.00 0.00 H new ATOM 126 N PHE A 24 2.956 -3.075 -5.166 1.00 0.00 N ATOM 127 CA PHE A 24 4.246 -3.631 -4.777 1.00 0.00 C ATOM 128 C PHE A 24 4.705 -4.677 -5.784 1.00 0.00 C ATOM 129 O PHE A 24 4.246 -5.819 -5.758 1.00 0.00 O ATOM 130 CB PHE A 24 4.158 -4.252 -3.381 1.00 0.00 C ATOM 131 CG PHE A 24 4.441 -3.280 -2.271 1.00 0.00 C ATOM 132 CD1 PHE A 24 3.536 -2.277 -1.963 1.00 0.00 C ATOM 133 CD2 PHE A 24 5.612 -3.371 -1.535 1.00 0.00 C ATOM 134 CE1 PHE A 24 3.793 -1.382 -0.943 1.00 0.00 C ATOM 135 CE2 PHE A 24 5.875 -2.479 -0.513 1.00 0.00 C ATOM 136 CZ PHE A 24 4.964 -1.482 -0.217 1.00 0.00 C ATOM 0 H PHE A 24 2.154 -3.502 -4.702 1.00 0.00 H new ATOM 0 HA PHE A 24 4.976 -2.821 -4.759 1.00 0.00 H new ATOM 0 HB2 PHE A 24 3.161 -4.670 -3.241 1.00 0.00 H new ATOM 0 HB3 PHE A 24 4.863 -5.080 -3.316 1.00 0.00 H new ATOM 0 HD1 PHE A 24 2.619 -2.194 -2.527 1.00 0.00 H new ATOM 0 HD2 PHE A 24 6.327 -4.148 -1.763 1.00 0.00 H new ATOM 0 HE1 PHE A 24 3.079 -0.605 -0.713 1.00 0.00 H new ATOM 0 HE2 PHE A 24 6.791 -2.560 0.054 1.00 0.00 H new ATOM 0 HZ PHE A 24 5.168 -0.783 0.580 1.00 0.00 H new ATOM 146 N GLY A 25 5.610 -4.281 -6.673 1.00 0.00 N ATOM 147 CA GLY A 25 6.113 -5.199 -7.680 1.00 0.00 C ATOM 148 C GLY A 25 5.004 -5.778 -8.537 1.00 0.00 C ATOM 149 O GLY A 25 4.683 -5.238 -9.597 1.00 0.00 O ATOM 0 H GLY A 25 6.004 -3.341 -6.715 1.00 0.00 H new ATOM 0 HA2 GLY A 25 6.828 -4.679 -8.318 1.00 0.00 H new ATOM 0 HA3 GLY A 25 6.653 -6.010 -7.192 1.00 0.00 H new ATOM 153 N ARG A 26 4.416 -6.878 -8.078 1.00 0.00 N ATOM 154 CA ARG A 26 3.335 -7.531 -8.805 1.00 0.00 C ATOM 155 C ARG A 26 2.149 -7.800 -7.882 1.00 0.00 C ATOM 156 O ARG A 26 1.416 -8.772 -8.063 1.00 0.00 O ATOM 157 CB ARG A 26 3.826 -8.840 -9.427 1.00 0.00 C ATOM 158 CG ARG A 26 3.722 -8.871 -10.941 1.00 0.00 C ATOM 159 CD ARG A 26 2.272 -8.885 -11.400 1.00 0.00 C ATOM 160 NE ARG A 26 2.082 -9.708 -12.591 1.00 0.00 N ATOM 161 CZ ARG A 26 2.411 -9.320 -13.822 1.00 0.00 C ATOM 162 NH1 ARG A 26 2.950 -8.123 -14.025 1.00 0.00 N ATOM 163 NH2 ARG A 26 2.205 -10.130 -14.850 1.00 0.00 N ATOM 0 H ARG A 26 4.671 -7.336 -7.203 1.00 0.00 H new ATOM 0 HA ARG A 26 3.008 -6.863 -9.602 1.00 0.00 H new ATOM 0 HB2 ARG A 26 4.865 -9.002 -9.139 1.00 0.00 H new ATOM 0 HB3 ARG A 26 3.248 -9.667 -9.015 1.00 0.00 H new ATOM 0 HG2 ARG A 26 4.229 -8.001 -11.359 1.00 0.00 H new ATOM 0 HG3 ARG A 26 4.234 -9.753 -11.324 1.00 0.00 H new ATOM 0 HD2 ARG A 26 1.641 -9.261 -10.595 1.00 0.00 H new ATOM 0 HD3 ARG A 26 1.948 -7.865 -11.609 1.00 0.00 H new ATOM 0 HE ARG A 26 1.673 -10.635 -12.473 1.00 0.00 H new ATOM 0 HH11 ARG A 26 3.113 -7.497 -13.237 1.00 0.00 H new ATOM 0 HH12 ARG A 26 3.200 -7.830 -14.969 1.00 0.00 H new ATOM 0 HH21 ARG A 26 1.794 -11.051 -14.699 1.00 0.00 H new ATOM 0 HH22 ARG A 26 2.457 -9.832 -15.792 1.00 0.00 H new ATOM 177 N THR A 27 1.968 -6.930 -6.892 1.00 0.00 N ATOM 178 CA THR A 27 0.874 -7.071 -5.938 1.00 0.00 C ATOM 179 C THR A 27 0.351 -5.702 -5.511 1.00 0.00 C ATOM 180 O THR A 27 1.093 -4.887 -4.962 1.00 0.00 O ATOM 181 CB THR A 27 1.340 -7.858 -4.711 1.00 0.00 C ATOM 182 OG1 THR A 27 1.816 -9.138 -5.088 1.00 0.00 O ATOM 183 CG2 THR A 27 0.251 -8.060 -3.679 1.00 0.00 C ATOM 0 H THR A 27 2.566 -6.120 -6.730 1.00 0.00 H new ATOM 0 HA THR A 27 0.065 -7.616 -6.424 1.00 0.00 H new ATOM 0 HB THR A 27 2.132 -7.256 -4.266 1.00 0.00 H new ATOM 0 HG1 THR A 27 1.809 -9.732 -4.309 1.00 0.00 H new ATOM 0 HG21 THR A 27 0.649 -8.625 -2.836 1.00 0.00 H new ATOM 0 HG22 THR A 27 -0.105 -7.090 -3.331 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.577 -8.611 -4.126 1.00 0.00 H new ATOM 191 N ARG A 28 -0.930 -5.457 -5.766 1.00 0.00 N ATOM 192 CA ARG A 28 -1.551 -4.187 -5.407 1.00 0.00 C ATOM 193 C ARG A 28 -2.089 -4.226 -3.981 1.00 0.00 C ATOM 194 O ARG A 28 -2.868 -5.111 -3.625 1.00 0.00 O ATOM 195 CB ARG A 28 -2.679 -3.852 -6.383 1.00 0.00 C ATOM 196 CG ARG A 28 -2.219 -3.057 -7.595 1.00 0.00 C ATOM 197 CD ARG A 28 -3.359 -2.262 -8.211 1.00 0.00 C ATOM 198 NE ARG A 28 -4.483 -3.119 -8.588 1.00 0.00 N ATOM 199 CZ ARG A 28 -5.557 -3.323 -7.829 1.00 0.00 C ATOM 200 NH1 ARG A 28 -5.673 -2.731 -6.646 1.00 0.00 N ATOM 201 NH2 ARG A 28 -6.523 -4.125 -8.254 1.00 0.00 N ATOM 0 H ARG A 28 -1.558 -6.121 -6.220 1.00 0.00 H new ATOM 0 HA ARG A 28 -0.788 -3.410 -5.465 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -3.143 -4.779 -6.721 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -3.447 -3.285 -5.857 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -1.418 -2.378 -7.302 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -1.805 -3.736 -8.340 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -3.700 -1.508 -7.502 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -2.997 -1.731 -9.091 1.00 0.00 H new ATOM 0 HE ARG A 28 -4.441 -3.591 -9.491 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -4.934 -2.113 -6.311 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -6.501 -2.895 -6.073 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -6.442 -4.584 -9.161 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -7.347 -4.283 -7.674 1.00 0.00 H new ATOM 215 N VAL A 29 -1.669 -3.262 -3.167 1.00 0.00 N ATOM 216 CA VAL A 29 -2.110 -3.185 -1.781 1.00 0.00 C ATOM 217 C VAL A 29 -2.682 -1.809 -1.460 1.00 0.00 C ATOM 218 O VAL A 29 -1.988 -0.798 -1.565 1.00 0.00 O ATOM 219 CB VAL A 29 -0.955 -3.487 -0.806 1.00 0.00 C ATOM 220 CG1 VAL A 29 -1.475 -3.610 0.617 1.00 0.00 C ATOM 221 CG2 VAL A 29 -0.221 -4.753 -1.224 1.00 0.00 C ATOM 0 H VAL A 29 -1.023 -2.523 -3.445 1.00 0.00 H new ATOM 0 HA VAL A 29 -2.889 -3.937 -1.656 1.00 0.00 H new ATOM 0 HB VAL A 29 -0.250 -2.657 -0.840 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -0.645 -3.823 1.291 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -1.951 -2.675 0.912 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -2.202 -4.420 0.670 1.00 0.00 H new ATOM 0 HG21 VAL A 29 0.591 -4.951 -0.524 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -0.915 -5.594 -1.221 1.00 0.00 H new ATOM 0 HG23 VAL A 29 0.187 -4.623 -2.226 1.00 0.00 H new ATOM 231 N ASP A 30 -3.952 -1.779 -1.069 1.00 0.00 N ATOM 232 CA ASP A 30 -4.618 -0.526 -0.733 1.00 0.00 C ATOM 233 C ASP A 30 -4.284 -0.097 0.693 1.00 0.00 C ATOM 234 O ASP A 30 -4.056 -0.933 1.566 1.00 0.00 O ATOM 235 CB ASP A 30 -6.132 -0.672 -0.890 1.00 0.00 C ATOM 236 CG ASP A 30 -6.532 -1.063 -2.301 1.00 0.00 C ATOM 237 OD1 ASP A 30 -6.337 -0.243 -3.222 1.00 0.00 O ATOM 238 OD2 ASP A 30 -7.040 -2.188 -2.484 1.00 0.00 O ATOM 0 H ASP A 30 -4.540 -2.607 -0.977 1.00 0.00 H new ATOM 0 HA ASP A 30 -4.259 0.242 -1.418 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -6.496 -1.424 -0.190 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -6.614 0.269 -0.626 1.00 0.00 H new ATOM 243 N VAL A 31 -4.256 1.211 0.919 1.00 0.00 N ATOM 244 CA VAL A 31 -3.951 1.753 2.237 1.00 0.00 C ATOM 245 C VAL A 31 -4.855 2.939 2.568 1.00 0.00 C ATOM 246 O VAL A 31 -4.605 4.061 2.124 1.00 0.00 O ATOM 247 CB VAL A 31 -2.480 2.200 2.335 1.00 0.00 C ATOM 248 CG1 VAL A 31 -2.123 2.551 3.772 1.00 0.00 C ATOM 249 CG2 VAL A 31 -1.556 1.116 1.799 1.00 0.00 C ATOM 0 H VAL A 31 -4.441 1.916 0.206 1.00 0.00 H new ATOM 0 HA VAL A 31 -4.128 0.953 2.956 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.349 3.093 1.724 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.080 2.864 3.822 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -2.763 3.363 4.118 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.270 1.677 4.407 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.521 1.449 1.876 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.688 0.204 2.382 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.796 0.917 0.755 1.00 0.00 H new ATOM 259 N PRO A 32 -5.926 2.707 3.349 1.00 0.00 N ATOM 260 CA PRO A 32 -6.868 3.756 3.731 1.00 0.00 C ATOM 261 C PRO A 32 -6.400 4.550 4.948 1.00 0.00 C ATOM 262 O PRO A 32 -6.775 4.247 6.080 1.00 0.00 O ATOM 263 CB PRO A 32 -8.128 2.964 4.066 1.00 0.00 C ATOM 264 CG PRO A 32 -7.620 1.670 4.610 1.00 0.00 C ATOM 265 CD PRO A 32 -6.308 1.396 3.914 1.00 0.00 C ATOM 0 HA PRO A 32 -6.998 4.501 2.946 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -8.744 3.488 4.797 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -8.746 2.808 3.182 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -7.481 1.731 5.689 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -8.332 0.866 4.425 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -5.556 1.026 4.611 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -6.419 0.642 3.135 1.00 0.00 H new ATOM 273 N CYS A 33 -5.581 5.568 4.706 1.00 0.00 N ATOM 274 CA CYS A 33 -5.066 6.408 5.781 1.00 0.00 C ATOM 275 C CYS A 33 -6.209 7.072 6.543 1.00 0.00 C ATOM 276 O CYS A 33 -7.199 7.499 5.947 1.00 0.00 O ATOM 277 CB CYS A 33 -4.122 7.473 5.219 1.00 0.00 C ATOM 278 SG CYS A 33 -2.595 7.680 6.165 1.00 0.00 S ATOM 0 H CYS A 33 -5.260 5.831 3.774 1.00 0.00 H new ATOM 0 HA CYS A 33 -4.511 5.774 6.472 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -3.868 7.212 4.192 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -4.648 8.427 5.185 1.00 0.00 H new ATOM 0 HG CYS A 33 -2.852 7.568 7.434 1.00 0.00 H new ATOM 284 N GLY A 34 -6.066 7.152 7.861 1.00 0.00 N ATOM 285 CA GLY A 34 -7.094 7.760 8.686 1.00 0.00 C ATOM 286 C GLY A 34 -7.483 9.151 8.218 1.00 0.00 C ATOM 287 O GLY A 34 -8.592 9.615 8.488 1.00 0.00 O ATOM 0 H GLY A 34 -5.255 6.806 8.374 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -7.978 7.122 8.685 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -6.741 7.814 9.716 1.00 0.00 H new ATOM 291 N ASP A 35 -6.572 9.816 7.517 1.00 0.00 N ATOM 292 CA ASP A 35 -6.830 11.161 7.015 1.00 0.00 C ATOM 293 C ASP A 35 -5.864 11.519 5.890 1.00 0.00 C ATOM 294 O ASP A 35 -6.259 12.102 4.880 1.00 0.00 O ATOM 295 CB ASP A 35 -6.712 12.181 8.150 1.00 0.00 C ATOM 296 CG ASP A 35 -8.044 12.815 8.498 1.00 0.00 C ATOM 297 OD1 ASP A 35 -8.736 13.291 7.575 1.00 0.00 O ATOM 298 OD2 ASP A 35 -8.395 12.835 9.698 1.00 0.00 O ATOM 0 H ASP A 35 -5.650 9.447 7.284 1.00 0.00 H new ATOM 0 HA ASP A 35 -7.844 11.185 6.617 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -6.304 11.691 9.034 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -6.006 12.960 7.863 1.00 0.00 H new ATOM 303 N GLY A 36 -4.597 11.169 6.075 1.00 0.00 N ATOM 304 CA GLY A 36 -3.590 11.465 5.071 1.00 0.00 C ATOM 305 C GLY A 36 -2.480 12.352 5.602 1.00 0.00 C ATOM 306 O GLY A 36 -1.666 12.863 4.833 1.00 0.00 O ATOM 0 H GLY A 36 -4.248 10.685 6.902 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -3.161 10.532 4.706 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -4.064 11.953 4.219 1.00 0.00 H new ATOM 310 N ARG A 37 -2.443 12.534 6.921 1.00 0.00 N ATOM 311 CA ARG A 37 -1.424 13.364 7.550 1.00 0.00 C ATOM 312 C ARG A 37 -0.268 12.508 8.060 1.00 0.00 C ATOM 313 O ARG A 37 0.382 12.848 9.049 1.00 0.00 O ATOM 314 CB ARG A 37 -2.034 14.166 8.702 1.00 0.00 C ATOM 315 CG ARG A 37 -2.136 15.655 8.418 1.00 0.00 C ATOM 316 CD ARG A 37 -1.903 16.481 9.675 1.00 0.00 C ATOM 317 NE ARG A 37 -2.883 16.182 10.715 1.00 0.00 N ATOM 318 CZ ARG A 37 -2.708 16.466 12.002 1.00 0.00 C ATOM 319 NH1 ARG A 37 -1.593 17.058 12.414 1.00 0.00 N ATOM 320 NH2 ARG A 37 -3.652 16.160 12.885 1.00 0.00 N ATOM 0 H ARG A 37 -3.108 12.117 7.572 1.00 0.00 H new ATOM 0 HA ARG A 37 -1.036 14.056 6.803 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -3.029 13.777 8.918 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -1.431 14.016 9.598 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -1.405 15.932 7.659 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -3.121 15.882 8.010 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -0.900 16.287 10.055 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -1.950 17.541 9.426 1.00 0.00 H new ATOM 0 HE ARG A 37 -3.754 15.728 10.438 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -0.864 17.298 11.742 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -1.465 17.273 13.403 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -4.512 15.707 12.576 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -3.517 16.378 13.872 1.00 0.00 H new ATOM 334 N MET A 38 -0.018 11.396 7.377 1.00 0.00 N ATOM 335 CA MET A 38 1.059 10.491 7.754 1.00 0.00 C ATOM 336 C MET A 38 2.195 10.551 6.742 1.00 0.00 C ATOM 337 O MET A 38 1.961 10.700 5.543 1.00 0.00 O ATOM 338 CB MET A 38 0.537 9.057 7.861 1.00 0.00 C ATOM 339 CG MET A 38 1.467 8.125 8.620 1.00 0.00 C ATOM 340 SD MET A 38 0.593 6.746 9.388 1.00 0.00 S ATOM 341 CE MET A 38 -0.321 6.102 7.989 1.00 0.00 C ATOM 0 H MET A 38 -0.549 11.100 6.558 1.00 0.00 H new ATOM 0 HA MET A 38 1.440 10.806 8.726 1.00 0.00 H new ATOM 0 HB2 MET A 38 -0.434 9.069 8.355 1.00 0.00 H new ATOM 0 HB3 MET A 38 0.379 8.661 6.858 1.00 0.00 H new ATOM 0 HG2 MET A 38 2.222 7.736 7.937 1.00 0.00 H new ATOM 0 HG3 MET A 38 1.993 8.690 9.389 1.00 0.00 H new ATOM 0 HE1 MET A 38 -1.390 6.180 8.186 1.00 0.00 H new ATOM 0 HE2 MET A 38 -0.074 6.677 7.097 1.00 0.00 H new ATOM 0 HE3 MET A 38 -0.056 5.056 7.831 1.00 0.00 H new ATOM 351 N LYS A 39 3.422 10.432 7.230 1.00 0.00 N ATOM 352 CA LYS A 39 4.590 10.470 6.361 1.00 0.00 C ATOM 353 C LYS A 39 4.630 9.240 5.463 1.00 0.00 C ATOM 354 O LYS A 39 4.264 8.138 5.879 1.00 0.00 O ATOM 355 CB LYS A 39 5.871 10.553 7.194 1.00 0.00 C ATOM 356 CG LYS A 39 5.897 11.728 8.158 1.00 0.00 C ATOM 357 CD LYS A 39 7.281 12.352 8.239 1.00 0.00 C ATOM 358 CE LYS A 39 7.319 13.490 9.246 1.00 0.00 C ATOM 359 NZ LYS A 39 6.547 14.674 8.778 1.00 0.00 N ATOM 0 H LYS A 39 3.634 10.309 8.220 1.00 0.00 H new ATOM 0 HA LYS A 39 4.520 11.358 5.733 1.00 0.00 H new ATOM 0 HB2 LYS A 39 5.987 9.628 7.759 1.00 0.00 H new ATOM 0 HB3 LYS A 39 6.727 10.626 6.523 1.00 0.00 H new ATOM 0 HG2 LYS A 39 5.176 12.480 7.836 1.00 0.00 H new ATOM 0 HG3 LYS A 39 5.589 11.394 9.149 1.00 0.00 H new ATOM 0 HD2 LYS A 39 8.009 11.591 8.520 1.00 0.00 H new ATOM 0 HD3 LYS A 39 7.572 12.724 7.257 1.00 0.00 H new ATOM 0 HE2 LYS A 39 6.914 13.146 10.198 1.00 0.00 H new ATOM 0 HE3 LYS A 39 8.354 13.780 9.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 6.960 15.539 9.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 6.583 14.724 7.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 5.557 14.587 9.086 1.00 0.00 H new ATOM 373 N VAL A 40 5.080 9.430 4.226 1.00 0.00 N ATOM 374 CA VAL A 40 5.169 8.329 3.275 1.00 0.00 C ATOM 375 C VAL A 40 5.862 7.126 3.902 1.00 0.00 C ATOM 376 O VAL A 40 5.436 5.989 3.719 1.00 0.00 O ATOM 377 CB VAL A 40 5.926 8.741 1.998 1.00 0.00 C ATOM 378 CG1 VAL A 40 5.916 7.612 0.977 1.00 0.00 C ATOM 379 CG2 VAL A 40 5.329 10.011 1.407 1.00 0.00 C ATOM 0 H VAL A 40 5.387 10.332 3.861 1.00 0.00 H new ATOM 0 HA VAL A 40 4.148 8.060 3.004 1.00 0.00 H new ATOM 0 HB VAL A 40 6.963 8.945 2.266 1.00 0.00 H new ATOM 0 HG11 VAL A 40 6.456 7.925 0.083 1.00 0.00 H new ATOM 0 HG12 VAL A 40 6.398 6.732 1.403 1.00 0.00 H new ATOM 0 HG13 VAL A 40 4.887 7.370 0.713 1.00 0.00 H new ATOM 0 HG21 VAL A 40 5.877 10.286 0.506 1.00 0.00 H new ATOM 0 HG22 VAL A 40 4.282 9.839 1.156 1.00 0.00 H new ATOM 0 HG23 VAL A 40 5.399 10.819 2.135 1.00 0.00 H new ATOM 389 N PHE A 41 6.928 7.389 4.653 1.00 0.00 N ATOM 390 CA PHE A 41 7.681 6.327 5.315 1.00 0.00 C ATOM 391 C PHE A 41 6.748 5.407 6.095 1.00 0.00 C ATOM 392 O PHE A 41 6.921 4.188 6.096 1.00 0.00 O ATOM 393 CB PHE A 41 8.730 6.931 6.255 1.00 0.00 C ATOM 394 CG PHE A 41 9.498 5.905 7.041 1.00 0.00 C ATOM 395 CD1 PHE A 41 8.930 5.293 8.147 1.00 0.00 C ATOM 396 CD2 PHE A 41 10.788 5.556 6.675 1.00 0.00 C ATOM 397 CE1 PHE A 41 9.634 4.350 8.872 1.00 0.00 C ATOM 398 CE2 PHE A 41 11.497 4.614 7.397 1.00 0.00 C ATOM 399 CZ PHE A 41 10.919 4.010 8.497 1.00 0.00 C ATOM 0 H PHE A 41 7.290 8.328 4.819 1.00 0.00 H new ATOM 0 HA PHE A 41 8.186 5.737 4.550 1.00 0.00 H new ATOM 0 HB2 PHE A 41 9.430 7.526 5.669 1.00 0.00 H new ATOM 0 HB3 PHE A 41 8.235 7.611 6.948 1.00 0.00 H new ATOM 0 HD1 PHE A 41 7.926 5.556 8.446 1.00 0.00 H new ATOM 0 HD2 PHE A 41 11.245 6.025 5.816 1.00 0.00 H new ATOM 0 HE1 PHE A 41 9.179 3.879 9.731 1.00 0.00 H new ATOM 0 HE2 PHE A 41 12.502 4.350 7.101 1.00 0.00 H new ATOM 0 HZ PHE A 41 11.471 3.274 9.062 1.00 0.00 H new ATOM 409 N SER A 42 5.751 5.996 6.745 1.00 0.00 N ATOM 410 CA SER A 42 4.787 5.223 7.516 1.00 0.00 C ATOM 411 C SER A 42 3.829 4.494 6.582 1.00 0.00 C ATOM 412 O SER A 42 3.353 3.402 6.893 1.00 0.00 O ATOM 413 CB SER A 42 4.008 6.135 8.464 1.00 0.00 C ATOM 414 OG SER A 42 4.505 6.039 9.788 1.00 0.00 O ATOM 0 H SER A 42 5.590 7.003 6.753 1.00 0.00 H new ATOM 0 HA SER A 42 5.328 4.486 8.109 1.00 0.00 H new ATOM 0 HB2 SER A 42 4.078 7.167 8.120 1.00 0.00 H new ATOM 0 HB3 SER A 42 2.952 5.864 8.448 1.00 0.00 H new ATOM 0 HG SER A 42 3.991 6.633 10.374 1.00 0.00 H new ATOM 420 N LEU A 43 3.555 5.104 5.432 1.00 0.00 N ATOM 421 CA LEU A 43 2.659 4.507 4.450 1.00 0.00 C ATOM 422 C LEU A 43 3.315 3.308 3.779 1.00 0.00 C ATOM 423 O LEU A 43 2.665 2.294 3.524 1.00 0.00 O ATOM 424 CB LEU A 43 2.257 5.541 3.396 1.00 0.00 C ATOM 425 CG LEU A 43 1.116 5.112 2.471 1.00 0.00 C ATOM 426 CD1 LEU A 43 -0.223 5.567 3.030 1.00 0.00 C ATOM 427 CD2 LEU A 43 1.328 5.667 1.071 1.00 0.00 C ATOM 0 H LEU A 43 3.940 6.008 5.159 1.00 0.00 H new ATOM 0 HA LEU A 43 1.764 4.167 4.971 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.967 6.461 3.904 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.130 5.775 2.787 1.00 0.00 H new ATOM 0 HG LEU A 43 1.111 4.024 2.412 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.023 5.253 2.359 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.378 5.121 4.013 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.230 6.653 3.119 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.507 5.352 0.427 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.360 6.756 1.112 1.00 0.00 H new ATOM 0 HD23 LEU A 43 2.269 5.292 0.669 1.00 0.00 H new ATOM 439 N ILE A 44 4.608 3.426 3.496 1.00 0.00 N ATOM 440 CA ILE A 44 5.348 2.348 2.857 1.00 0.00 C ATOM 441 C ILE A 44 5.488 1.156 3.795 1.00 0.00 C ATOM 442 O ILE A 44 5.335 0.008 3.382 1.00 0.00 O ATOM 443 CB ILE A 44 6.747 2.807 2.411 1.00 0.00 C ATOM 444 CG1 ILE A 44 6.638 4.108 1.608 1.00 0.00 C ATOM 445 CG2 ILE A 44 7.422 1.715 1.594 1.00 0.00 C ATOM 446 CD1 ILE A 44 7.864 4.426 0.777 1.00 0.00 C ATOM 0 H ILE A 44 5.163 4.257 3.699 1.00 0.00 H new ATOM 0 HA ILE A 44 4.780 2.052 1.975 1.00 0.00 H new ATOM 0 HB ILE A 44 7.360 2.998 3.292 1.00 0.00 H new ATOM 0 HG12 ILE A 44 5.772 4.044 0.949 1.00 0.00 H new ATOM 0 HG13 ILE A 44 6.455 4.933 2.296 1.00 0.00 H new ATOM 0 HG21 ILE A 44 8.411 2.051 1.284 1.00 0.00 H new ATOM 0 HG22 ILE A 44 7.518 0.814 2.200 1.00 0.00 H new ATOM 0 HG23 ILE A 44 6.820 1.496 0.712 1.00 0.00 H new ATOM 0 HD11 ILE A 44 7.707 5.361 0.240 1.00 0.00 H new ATOM 0 HD12 ILE A 44 8.731 4.524 1.430 1.00 0.00 H new ATOM 0 HD13 ILE A 44 8.038 3.622 0.062 1.00 0.00 H new ATOM 458 N GLN A 45 5.777 1.437 5.061 1.00 0.00 N ATOM 459 CA GLN A 45 5.932 0.385 6.058 1.00 0.00 C ATOM 460 C GLN A 45 4.612 -0.348 6.271 1.00 0.00 C ATOM 461 O GLN A 45 4.589 -1.561 6.470 1.00 0.00 O ATOM 462 CB GLN A 45 6.428 0.970 7.382 1.00 0.00 C ATOM 463 CG GLN A 45 7.385 0.054 8.130 1.00 0.00 C ATOM 464 CD GLN A 45 6.812 -0.441 9.444 1.00 0.00 C ATOM 465 OE1 GLN A 45 6.562 0.344 10.359 1.00 0.00 O ATOM 466 NE2 GLN A 45 6.601 -1.747 9.544 1.00 0.00 N ATOM 0 H GLN A 45 5.908 2.383 5.420 1.00 0.00 H new ATOM 0 HA GLN A 45 6.672 -0.327 5.691 1.00 0.00 H new ATOM 0 HB2 GLN A 45 6.925 1.920 7.187 1.00 0.00 H new ATOM 0 HB3 GLN A 45 5.570 1.184 8.019 1.00 0.00 H new ATOM 0 HG2 GLN A 45 7.631 -0.801 7.500 1.00 0.00 H new ATOM 0 HG3 GLN A 45 8.316 0.587 8.322 1.00 0.00 H new ATOM 0 HE21 GLN A 45 6.823 -2.361 8.760 1.00 0.00 H new ATOM 0 HE22 GLN A 45 6.217 -2.137 10.405 1.00 0.00 H new ATOM 475 N GLN A 46 3.513 0.398 6.222 1.00 0.00 N ATOM 476 CA GLN A 46 2.190 -0.187 6.402 1.00 0.00 C ATOM 477 C GLN A 46 1.851 -1.101 5.229 1.00 0.00 C ATOM 478 O GLN A 46 1.246 -2.159 5.404 1.00 0.00 O ATOM 479 CB GLN A 46 1.135 0.913 6.536 1.00 0.00 C ATOM 480 CG GLN A 46 0.709 1.175 7.970 1.00 0.00 C ATOM 481 CD GLN A 46 -0.599 0.495 8.323 1.00 0.00 C ATOM 482 OE1 GLN A 46 -1.519 0.430 7.507 1.00 0.00 O ATOM 483 NE2 GLN A 46 -0.689 -0.019 9.545 1.00 0.00 N ATOM 0 H GLN A 46 3.512 1.405 6.060 1.00 0.00 H new ATOM 0 HA GLN A 46 2.195 -0.779 7.317 1.00 0.00 H new ATOM 0 HB2 GLN A 46 1.528 1.835 6.108 1.00 0.00 H new ATOM 0 HB3 GLN A 46 0.258 0.637 5.950 1.00 0.00 H new ATOM 0 HG2 GLN A 46 1.489 0.827 8.646 1.00 0.00 H new ATOM 0 HG3 GLN A 46 0.609 2.249 8.125 1.00 0.00 H new ATOM 0 HE21 GLN A 46 0.098 0.057 10.190 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -1.545 -0.490 9.838 1.00 0.00 H new ATOM 492 N ALA A 47 2.251 -0.682 4.032 1.00 0.00 N ATOM 493 CA ALA A 47 1.996 -1.459 2.825 1.00 0.00 C ATOM 494 C ALA A 47 2.943 -2.651 2.735 1.00 0.00 C ATOM 495 O ALA A 47 2.544 -3.742 2.326 1.00 0.00 O ATOM 496 CB ALA A 47 2.132 -0.579 1.593 1.00 0.00 C ATOM 0 H ALA A 47 2.753 0.191 3.873 1.00 0.00 H new ATOM 0 HA ALA A 47 0.976 -1.840 2.873 1.00 0.00 H new ATOM 0 HB1 ALA A 47 1.939 -1.172 0.699 1.00 0.00 H new ATOM 0 HB2 ALA A 47 1.413 0.238 1.648 1.00 0.00 H new ATOM 0 HB3 ALA A 47 3.142 -0.171 1.547 1.00 0.00 H new ATOM 502 N VAL A 48 4.198 -2.435 3.122 1.00 0.00 N ATOM 503 CA VAL A 48 5.198 -3.496 3.084 1.00 0.00 C ATOM 504 C VAL A 48 4.758 -4.678 3.947 1.00 0.00 C ATOM 505 O VAL A 48 4.874 -5.836 3.543 1.00 0.00 O ATOM 506 CB VAL A 48 6.585 -2.978 3.547 1.00 0.00 C ATOM 507 CG1 VAL A 48 6.871 -3.331 5.002 1.00 0.00 C ATOM 508 CG2 VAL A 48 7.681 -3.520 2.640 1.00 0.00 C ATOM 0 H VAL A 48 4.544 -1.539 3.464 1.00 0.00 H new ATOM 0 HA VAL A 48 5.290 -3.831 2.051 1.00 0.00 H new ATOM 0 HB VAL A 48 6.569 -1.890 3.476 1.00 0.00 H new ATOM 0 HG11 VAL A 48 7.852 -2.949 5.283 1.00 0.00 H new ATOM 0 HG12 VAL A 48 6.110 -2.883 5.641 1.00 0.00 H new ATOM 0 HG13 VAL A 48 6.855 -4.414 5.124 1.00 0.00 H new ATOM 0 HG21 VAL A 48 8.649 -3.148 2.977 1.00 0.00 H new ATOM 0 HG22 VAL A 48 7.678 -4.609 2.677 1.00 0.00 H new ATOM 0 HG23 VAL A 48 7.502 -3.191 1.616 1.00 0.00 H new ATOM 518 N THR A 49 4.242 -4.369 5.133 1.00 0.00 N ATOM 519 CA THR A 49 3.771 -5.396 6.053 1.00 0.00 C ATOM 520 C THR A 49 2.519 -6.069 5.505 1.00 0.00 C ATOM 521 O THR A 49 2.405 -7.294 5.515 1.00 0.00 O ATOM 522 CB THR A 49 3.482 -4.785 7.425 1.00 0.00 C ATOM 523 OG1 THR A 49 4.637 -4.151 7.945 1.00 0.00 O ATOM 524 CG2 THR A 49 3.017 -5.799 8.447 1.00 0.00 C ATOM 0 H THR A 49 4.140 -3.415 5.479 1.00 0.00 H new ATOM 0 HA THR A 49 4.552 -6.149 6.160 1.00 0.00 H new ATOM 0 HB THR A 49 2.679 -4.068 7.257 1.00 0.00 H new ATOM 0 HG1 THR A 49 4.749 -3.276 7.519 1.00 0.00 H new ATOM 0 HG21 THR A 49 2.830 -5.299 9.397 1.00 0.00 H new ATOM 0 HG22 THR A 49 2.099 -6.272 8.099 1.00 0.00 H new ATOM 0 HG23 THR A 49 3.787 -6.559 8.582 1.00 0.00 H new ATOM 532 N ARG A 50 1.583 -5.258 5.022 1.00 0.00 N ATOM 533 CA ARG A 50 0.341 -5.775 4.461 1.00 0.00 C ATOM 534 C ARG A 50 0.619 -6.610 3.216 1.00 0.00 C ATOM 535 O ARG A 50 -0.109 -7.555 2.913 1.00 0.00 O ATOM 536 CB ARG A 50 -0.608 -4.625 4.116 1.00 0.00 C ATOM 537 CG ARG A 50 -1.981 -5.086 3.656 1.00 0.00 C ATOM 538 CD ARG A 50 -3.069 -4.114 4.084 1.00 0.00 C ATOM 539 NE ARG A 50 -4.316 -4.797 4.411 1.00 0.00 N ATOM 540 CZ ARG A 50 -5.501 -4.194 4.463 1.00 0.00 C ATOM 541 NH1 ARG A 50 -5.604 -2.895 4.210 1.00 0.00 N ATOM 542 NH2 ARG A 50 -6.587 -4.891 4.767 1.00 0.00 N ATOM 0 H ARG A 50 1.661 -4.241 5.008 1.00 0.00 H new ATOM 0 HA ARG A 50 -0.131 -6.411 5.210 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -0.723 -3.985 4.991 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -0.157 -4.016 3.333 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -1.987 -5.186 2.571 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -2.191 -6.073 4.068 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -2.728 -3.547 4.951 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -3.248 -3.396 3.284 1.00 0.00 H new ATOM 0 HE ARG A 50 -4.277 -5.796 4.612 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -4.772 -2.354 3.974 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -6.515 -2.438 4.251 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -6.514 -5.890 4.961 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -7.495 -4.429 4.807 1.00 0.00 H new ATOM 556 N TYR A 51 1.683 -6.256 2.500 1.00 0.00 N ATOM 557 CA TYR A 51 2.065 -6.974 1.290 1.00 0.00 C ATOM 558 C TYR A 51 2.488 -8.402 1.625 1.00 0.00 C ATOM 559 O TYR A 51 1.921 -9.365 1.109 1.00 0.00 O ATOM 560 CB TYR A 51 3.203 -6.234 0.576 1.00 0.00 C ATOM 561 CG TYR A 51 3.929 -7.066 -0.459 1.00 0.00 C ATOM 562 CD1 TYR A 51 3.272 -7.527 -1.594 1.00 0.00 C ATOM 563 CD2 TYR A 51 5.269 -7.391 -0.299 1.00 0.00 C ATOM 564 CE1 TYR A 51 3.932 -8.289 -2.540 1.00 0.00 C ATOM 565 CE2 TYR A 51 5.937 -8.151 -1.242 1.00 0.00 C ATOM 566 CZ TYR A 51 5.264 -8.598 -2.358 1.00 0.00 C ATOM 567 OH TYR A 51 5.924 -9.356 -3.298 1.00 0.00 O ATOM 0 H TYR A 51 2.295 -5.476 2.738 1.00 0.00 H new ATOM 0 HA TYR A 51 1.203 -7.019 0.625 1.00 0.00 H new ATOM 0 HB2 TYR A 51 2.797 -5.346 0.092 1.00 0.00 H new ATOM 0 HB3 TYR A 51 3.922 -5.891 1.320 1.00 0.00 H new ATOM 0 HD1 TYR A 51 2.229 -7.286 -1.739 1.00 0.00 H new ATOM 0 HD2 TYR A 51 5.799 -7.045 0.576 1.00 0.00 H new ATOM 0 HE1 TYR A 51 3.408 -8.640 -3.416 1.00 0.00 H new ATOM 0 HE2 TYR A 51 6.981 -8.393 -1.104 1.00 0.00 H new ATOM 0 HH TYR A 51 6.855 -9.483 -3.021 1.00 0.00 H new ATOM 577 N ARG A 52 3.486 -8.529 2.495 1.00 0.00 N ATOM 578 CA ARG A 52 3.987 -9.837 2.902 1.00 0.00 C ATOM 579 C ARG A 52 2.861 -10.703 3.463 1.00 0.00 C ATOM 580 O ARG A 52 2.809 -11.907 3.214 1.00 0.00 O ATOM 581 CB ARG A 52 5.090 -9.675 3.948 1.00 0.00 C ATOM 582 CG ARG A 52 6.196 -10.711 3.836 1.00 0.00 C ATOM 583 CD ARG A 52 6.938 -10.880 5.152 1.00 0.00 C ATOM 584 NE ARG A 52 7.264 -9.593 5.764 1.00 0.00 N ATOM 585 CZ ARG A 52 7.536 -9.436 7.058 1.00 0.00 C ATOM 586 NH1 ARG A 52 7.529 -10.477 7.879 1.00 0.00 N ATOM 587 NH2 ARG A 52 7.818 -8.229 7.532 1.00 0.00 N ATOM 0 H ARG A 52 3.964 -7.741 2.932 1.00 0.00 H new ATOM 0 HA ARG A 52 4.396 -10.333 2.022 1.00 0.00 H new ATOM 0 HB2 ARG A 52 5.525 -8.680 3.853 1.00 0.00 H new ATOM 0 HB3 ARG A 52 4.647 -9.735 4.942 1.00 0.00 H new ATOM 0 HG2 ARG A 52 5.770 -11.667 3.532 1.00 0.00 H new ATOM 0 HG3 ARG A 52 6.898 -10.412 3.057 1.00 0.00 H new ATOM 0 HD2 ARG A 52 6.328 -11.465 5.840 1.00 0.00 H new ATOM 0 HD3 ARG A 52 7.855 -11.444 4.982 1.00 0.00 H new ATOM 0 HE ARG A 52 7.284 -8.768 5.165 1.00 0.00 H new ATOM 0 HH11 ARG A 52 7.314 -11.408 7.521 1.00 0.00 H new ATOM 0 HH12 ARG A 52 7.739 -10.347 8.869 1.00 0.00 H new ATOM 0 HH21 ARG A 52 7.826 -7.424 6.905 1.00 0.00 H new ATOM 0 HH22 ARG A 52 8.027 -8.106 8.523 1.00 0.00 H new ATOM 601 N LYS A 53 1.965 -10.081 4.223 1.00 0.00 N ATOM 602 CA LYS A 53 0.843 -10.796 4.820 1.00 0.00 C ATOM 603 C LYS A 53 -0.192 -11.177 3.766 1.00 0.00 C ATOM 604 O LYS A 53 -0.684 -12.305 3.745 1.00 0.00 O ATOM 605 CB LYS A 53 0.190 -9.942 5.908 1.00 0.00 C ATOM 606 CG LYS A 53 1.031 -9.814 7.168 1.00 0.00 C ATOM 607 CD LYS A 53 1.350 -11.174 7.769 1.00 0.00 C ATOM 608 CE LYS A 53 2.822 -11.524 7.611 1.00 0.00 C ATOM 609 NZ LYS A 53 3.109 -12.921 8.036 1.00 0.00 N ATOM 0 H LYS A 53 1.994 -9.085 4.440 1.00 0.00 H new ATOM 0 HA LYS A 53 1.228 -11.713 5.266 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -0.005 -8.947 5.509 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -0.775 -10.376 6.168 1.00 0.00 H new ATOM 0 HG2 LYS A 53 1.959 -9.292 6.935 1.00 0.00 H new ATOM 0 HG3 LYS A 53 0.499 -9.207 7.901 1.00 0.00 H new ATOM 0 HD2 LYS A 53 1.086 -11.176 8.827 1.00 0.00 H new ATOM 0 HD3 LYS A 53 0.740 -11.938 7.287 1.00 0.00 H new ATOM 0 HE2 LYS A 53 3.116 -11.394 6.570 1.00 0.00 H new ATOM 0 HE3 LYS A 53 3.425 -10.834 8.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 4.112 -13.137 7.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 2.900 -13.025 9.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 2.516 -13.579 7.491 1.00 0.00 H new ATOM 623 N ALA A 54 -0.520 -10.230 2.892 1.00 0.00 N ATOM 624 CA ALA A 54 -1.498 -10.468 1.838 1.00 0.00 C ATOM 625 C ALA A 54 -1.029 -11.568 0.892 1.00 0.00 C ATOM 626 O ALA A 54 -1.804 -12.443 0.509 1.00 0.00 O ATOM 627 CB ALA A 54 -1.764 -9.184 1.066 1.00 0.00 C ATOM 0 H ALA A 54 -0.122 -9.291 2.894 1.00 0.00 H new ATOM 0 HA ALA A 54 -2.426 -10.798 2.305 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -2.496 -9.376 0.282 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.151 -8.424 1.745 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -0.836 -8.830 0.617 1.00 0.00 H new ATOM 633 N VAL A 55 0.247 -11.516 0.522 1.00 0.00 N ATOM 634 CA VAL A 55 0.823 -12.507 -0.378 1.00 0.00 C ATOM 635 C VAL A 55 1.065 -13.840 0.334 1.00 0.00 C ATOM 636 O VAL A 55 1.427 -14.831 -0.299 1.00 0.00 O ATOM 637 CB VAL A 55 2.152 -12.007 -0.978 1.00 0.00 C ATOM 638 CG1 VAL A 55 3.182 -11.777 0.119 1.00 0.00 C ATOM 639 CG2 VAL A 55 2.675 -12.989 -2.016 1.00 0.00 C ATOM 0 H VAL A 55 0.901 -10.798 0.832 1.00 0.00 H new ATOM 0 HA VAL A 55 0.101 -12.661 -1.180 1.00 0.00 H new ATOM 0 HB VAL A 55 1.968 -11.055 -1.476 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.113 -11.424 -0.324 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.808 -11.030 0.819 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.364 -12.712 0.649 1.00 0.00 H new ATOM 0 HG21 VAL A 55 3.614 -12.618 -2.428 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.842 -13.959 -1.547 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.944 -13.095 -2.818 1.00 0.00 H new ATOM 649 N ALA A 56 0.867 -13.857 1.651 1.00 0.00 N ATOM 650 CA ALA A 56 1.065 -15.069 2.441 1.00 0.00 C ATOM 651 C ALA A 56 2.548 -15.403 2.571 1.00 0.00 C ATOM 652 O ALA A 56 2.932 -16.573 2.592 1.00 0.00 O ATOM 653 CB ALA A 56 0.311 -16.238 1.825 1.00 0.00 C ATOM 0 H ALA A 56 0.570 -13.045 2.192 1.00 0.00 H new ATOM 0 HA ALA A 56 0.669 -14.886 3.440 1.00 0.00 H new ATOM 0 HB1 ALA A 56 0.471 -17.132 2.428 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.754 -16.008 1.793 1.00 0.00 H new ATOM 0 HB3 ALA A 56 0.675 -16.413 0.813 1.00 0.00 H new ATOM 659 N LYS A 57 3.376 -14.368 2.662 1.00 0.00 N ATOM 660 CA LYS A 57 4.817 -14.551 2.795 1.00 0.00 C ATOM 661 C LYS A 57 5.254 -14.399 4.248 1.00 0.00 C ATOM 662 O LYS A 57 4.424 -14.235 5.142 1.00 0.00 O ATOM 663 CB LYS A 57 5.565 -13.547 1.919 1.00 0.00 C ATOM 664 CG LYS A 57 5.842 -14.060 0.517 1.00 0.00 C ATOM 665 CD LYS A 57 6.254 -12.934 -0.411 1.00 0.00 C ATOM 666 CE LYS A 57 7.062 -13.447 -1.594 1.00 0.00 C ATOM 667 NZ LYS A 57 8.384 -12.772 -1.698 1.00 0.00 N ATOM 0 H LYS A 57 3.074 -13.394 2.646 1.00 0.00 H new ATOM 0 HA LYS A 57 5.060 -15.561 2.465 1.00 0.00 H new ATOM 0 HB2 LYS A 57 4.982 -12.628 1.853 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.510 -13.291 2.398 1.00 0.00 H new ATOM 0 HG2 LYS A 57 6.630 -14.812 0.552 1.00 0.00 H new ATOM 0 HG3 LYS A 57 4.951 -14.550 0.124 1.00 0.00 H new ATOM 0 HD2 LYS A 57 5.365 -12.418 -0.774 1.00 0.00 H new ATOM 0 HD3 LYS A 57 6.843 -12.203 0.143 1.00 0.00 H new ATOM 0 HE2 LYS A 57 7.210 -14.522 -1.493 1.00 0.00 H new ATOM 0 HE3 LYS A 57 6.500 -13.288 -2.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 8.538 -12.459 -2.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 8.404 -11.948 -1.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 9.136 -13.437 -1.425 1.00 0.00 H new ATOM 681 N ASP A 58 6.562 -14.454 4.478 1.00 0.00 N ATOM 682 CA ASP A 58 7.108 -14.321 5.824 1.00 0.00 C ATOM 683 C ASP A 58 8.511 -13.719 5.784 1.00 0.00 C ATOM 684 O ASP A 58 9.054 -13.464 4.711 1.00 0.00 O ATOM 685 CB ASP A 58 7.137 -15.687 6.518 1.00 0.00 C ATOM 686 CG ASP A 58 6.070 -15.818 7.587 1.00 0.00 C ATOM 687 OD1 ASP A 58 5.588 -14.773 8.077 1.00 0.00 O ATOM 688 OD2 ASP A 58 5.712 -16.963 7.932 1.00 0.00 O ATOM 0 H ASP A 58 7.263 -14.590 3.750 1.00 0.00 H new ATOM 0 HA ASP A 58 6.464 -13.649 6.391 1.00 0.00 H new ATOM 0 HB2 ASP A 58 7.000 -16.472 5.774 1.00 0.00 H new ATOM 0 HB3 ASP A 58 8.118 -15.842 6.967 1.00 0.00 H new ATOM 693 N PRO A 59 9.119 -13.482 6.960 1.00 0.00 N ATOM 694 CA PRO A 59 10.466 -12.902 7.055 1.00 0.00 C ATOM 695 C PRO A 59 11.536 -13.781 6.406 1.00 0.00 C ATOM 696 O PRO A 59 12.668 -13.343 6.206 1.00 0.00 O ATOM 697 CB PRO A 59 10.714 -12.797 8.566 1.00 0.00 C ATOM 698 CG PRO A 59 9.362 -12.870 9.189 1.00 0.00 C ATOM 699 CD PRO A 59 8.543 -13.749 8.289 1.00 0.00 C ATOM 0 HA PRO A 59 10.525 -11.948 6.531 1.00 0.00 H new ATOM 0 HB2 PRO A 59 11.354 -13.606 8.917 1.00 0.00 H new ATOM 0 HB3 PRO A 59 11.214 -11.862 8.819 1.00 0.00 H new ATOM 0 HG2 PRO A 59 9.417 -13.285 10.196 1.00 0.00 H new ATOM 0 HG3 PRO A 59 8.918 -11.878 9.277 1.00 0.00 H new ATOM 0 HD2 PRO A 59 8.629 -14.800 8.563 1.00 0.00 H new ATOM 0 HD3 PRO A 59 7.484 -13.494 8.329 1.00 0.00 H new ATOM 707 N ASN A 60 11.173 -15.023 6.085 1.00 0.00 N ATOM 708 CA ASN A 60 12.103 -15.966 5.466 1.00 0.00 C ATOM 709 C ASN A 60 12.917 -15.309 4.352 1.00 0.00 C ATOM 710 O ASN A 60 14.077 -15.657 4.132 1.00 0.00 O ATOM 711 CB ASN A 60 11.341 -17.170 4.908 1.00 0.00 C ATOM 712 CG ASN A 60 10.234 -16.761 3.954 1.00 0.00 C ATOM 713 OD1 ASN A 60 9.059 -16.742 4.320 1.00 0.00 O ATOM 714 ND2 ASN A 60 10.606 -16.432 2.722 1.00 0.00 N ATOM 0 H ASN A 60 10.239 -15.400 6.244 1.00 0.00 H new ATOM 0 HA ASN A 60 12.796 -16.298 6.239 1.00 0.00 H new ATOM 0 HB2 ASN A 60 12.038 -17.830 4.391 1.00 0.00 H new ATOM 0 HB3 ASN A 60 10.914 -17.741 5.733 1.00 0.00 H new ATOM 0 HD21 ASN A 60 9.906 -16.149 2.036 1.00 0.00 H new ATOM 0 HD22 ASN A 60 11.592 -16.462 2.462 1.00 0.00 H new ATOM 721 N TYR A 61 12.306 -14.357 3.655 1.00 0.00 N ATOM 722 CA TYR A 61 12.985 -13.656 2.568 1.00 0.00 C ATOM 723 C TYR A 61 13.177 -12.179 2.906 1.00 0.00 C ATOM 724 O TYR A 61 12.426 -11.612 3.700 1.00 0.00 O ATOM 725 CB TYR A 61 12.200 -13.816 1.258 1.00 0.00 C ATOM 726 CG TYR A 61 11.051 -12.844 1.095 1.00 0.00 C ATOM 727 CD1 TYR A 61 9.942 -12.899 1.928 1.00 0.00 C ATOM 728 CD2 TYR A 61 11.077 -11.871 0.102 1.00 0.00 C ATOM 729 CE1 TYR A 61 8.893 -12.014 1.781 1.00 0.00 C ATOM 730 CE2 TYR A 61 10.032 -10.982 -0.053 1.00 0.00 C ATOM 731 CZ TYR A 61 8.942 -11.056 0.789 1.00 0.00 C ATOM 732 OH TYR A 61 7.899 -10.170 0.636 1.00 0.00 O ATOM 0 H TYR A 61 11.347 -14.053 3.821 1.00 0.00 H new ATOM 0 HA TYR A 61 13.972 -14.100 2.438 1.00 0.00 H new ATOM 0 HB2 TYR A 61 12.886 -13.692 0.420 1.00 0.00 H new ATOM 0 HB3 TYR A 61 11.810 -14.833 1.204 1.00 0.00 H new ATOM 0 HD1 TYR A 61 9.899 -13.648 2.705 1.00 0.00 H new ATOM 0 HD2 TYR A 61 11.929 -11.810 -0.559 1.00 0.00 H new ATOM 0 HE1 TYR A 61 8.038 -12.071 2.439 1.00 0.00 H new ATOM 0 HE2 TYR A 61 10.068 -10.232 -0.830 1.00 0.00 H new ATOM 0 HH TYR A 61 7.527 -10.255 -0.267 1.00 0.00 H new ATOM 742 N TRP A 62 14.190 -11.561 2.303 1.00 0.00 N ATOM 743 CA TRP A 62 14.480 -10.153 2.548 1.00 0.00 C ATOM 744 C TRP A 62 13.624 -9.254 1.661 1.00 0.00 C ATOM 745 O TRP A 62 13.235 -9.644 0.558 1.00 0.00 O ATOM 746 CB TRP A 62 15.971 -9.867 2.320 1.00 0.00 C ATOM 747 CG TRP A 62 16.292 -9.344 0.950 1.00 0.00 C ATOM 748 CD1 TRP A 62 16.024 -9.951 -0.242 1.00 0.00 C ATOM 749 CD2 TRP A 62 16.933 -8.104 0.632 1.00 0.00 C ATOM 750 NE1 TRP A 62 16.468 -9.171 -1.282 1.00 0.00 N ATOM 751 CE2 TRP A 62 17.029 -8.031 -0.770 1.00 0.00 C ATOM 752 CE3 TRP A 62 17.439 -7.048 1.396 1.00 0.00 C ATOM 753 CZ2 TRP A 62 17.608 -6.946 -1.424 1.00 0.00 C ATOM 754 CZ3 TRP A 62 18.011 -5.971 0.746 1.00 0.00 C ATOM 755 CH2 TRP A 62 18.092 -5.926 -0.651 1.00 0.00 C ATOM 0 H TRP A 62 14.822 -12.013 1.643 1.00 0.00 H new ATOM 0 HA TRP A 62 14.235 -9.933 3.587 1.00 0.00 H new ATOM 0 HB2 TRP A 62 16.309 -9.143 3.062 1.00 0.00 H new ATOM 0 HB3 TRP A 62 16.536 -10.784 2.489 1.00 0.00 H new ATOM 0 HD1 TRP A 62 15.534 -10.907 -0.352 1.00 0.00 H new ATOM 0 HE1 TRP A 62 16.392 -9.403 -2.272 1.00 0.00 H new ATOM 0 HE3 TRP A 62 17.384 -7.074 2.474 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 17.673 -6.911 -2.502 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 18.403 -5.149 1.326 1.00 0.00 H new ATOM 0 HH2 TRP A 62 18.545 -5.070 -1.128 1.00 0.00 H new ATOM 766 N ILE A 63 13.347 -8.045 2.153 1.00 0.00 N ATOM 767 CA ILE A 63 12.548 -7.075 1.414 1.00 0.00 C ATOM 768 C ILE A 63 13.115 -5.666 1.576 1.00 0.00 C ATOM 769 O ILE A 63 13.060 -5.084 2.660 1.00 0.00 O ATOM 770 CB ILE A 63 11.078 -7.078 1.886 1.00 0.00 C ATOM 771 CG1 ILE A 63 10.488 -8.483 1.784 1.00 0.00 C ATOM 772 CG2 ILE A 63 10.249 -6.094 1.070 1.00 0.00 C ATOM 773 CD1 ILE A 63 9.195 -8.651 2.551 1.00 0.00 C ATOM 0 H ILE A 63 13.667 -7.717 3.064 1.00 0.00 H new ATOM 0 HA ILE A 63 12.586 -7.367 0.364 1.00 0.00 H new ATOM 0 HB ILE A 63 11.053 -6.765 2.930 1.00 0.00 H new ATOM 0 HG12 ILE A 63 10.312 -8.719 0.735 1.00 0.00 H new ATOM 0 HG13 ILE A 63 11.218 -9.203 2.155 1.00 0.00 H new ATOM 0 HG21 ILE A 63 9.216 -6.112 1.419 1.00 0.00 H new ATOM 0 HG22 ILE A 63 10.655 -5.090 1.189 1.00 0.00 H new ATOM 0 HG23 ILE A 63 10.282 -6.376 0.018 1.00 0.00 H new ATOM 0 HD11 ILE A 63 8.833 -9.672 2.434 1.00 0.00 H new ATOM 0 HD12 ILE A 63 9.369 -8.446 3.607 1.00 0.00 H new ATOM 0 HD13 ILE A 63 8.450 -7.955 2.165 1.00 0.00 H new ATOM 785 N GLN A 64 13.652 -5.120 0.490 1.00 0.00 N ATOM 786 CA GLN A 64 14.220 -3.777 0.510 1.00 0.00 C ATOM 787 C GLN A 64 13.321 -2.798 -0.239 1.00 0.00 C ATOM 788 O GLN A 64 13.299 -2.778 -1.469 1.00 0.00 O ATOM 789 CB GLN A 64 15.616 -3.783 -0.115 1.00 0.00 C ATOM 790 CG GLN A 64 16.606 -2.876 0.598 1.00 0.00 C ATOM 791 CD GLN A 64 16.979 -1.658 -0.223 1.00 0.00 C ATOM 792 OE1 GLN A 64 16.569 -0.538 0.083 1.00 0.00 O ATOM 793 NE2 GLN A 64 17.761 -1.871 -1.276 1.00 0.00 N ATOM 0 H GLN A 64 13.706 -5.587 -0.415 1.00 0.00 H new ATOM 0 HA GLN A 64 14.295 -3.455 1.549 1.00 0.00 H new ATOM 0 HB2 GLN A 64 16.002 -4.802 -0.111 1.00 0.00 H new ATOM 0 HB3 GLN A 64 15.539 -3.475 -1.158 1.00 0.00 H new ATOM 0 HG2 GLN A 64 16.178 -2.552 1.547 1.00 0.00 H new ATOM 0 HG3 GLN A 64 17.508 -3.442 0.832 1.00 0.00 H new ATOM 0 HE21 GLN A 64 18.078 -2.816 -1.493 1.00 0.00 H new ATOM 0 HE22 GLN A 64 18.044 -1.090 -1.867 1.00 0.00 H new ATOM 802 N VAL A 65 12.581 -1.989 0.512 1.00 0.00 N ATOM 803 CA VAL A 65 11.680 -1.009 -0.085 1.00 0.00 C ATOM 804 C VAL A 65 12.434 0.252 -0.491 1.00 0.00 C ATOM 805 O VAL A 65 12.902 1.010 0.358 1.00 0.00 O ATOM 806 CB VAL A 65 10.540 -0.623 0.880 1.00 0.00 C ATOM 807 CG1 VAL A 65 9.405 0.047 0.122 1.00 0.00 C ATOM 808 CG2 VAL A 65 10.034 -1.845 1.635 1.00 0.00 C ATOM 0 H VAL A 65 12.587 -1.992 1.532 1.00 0.00 H new ATOM 0 HA VAL A 65 11.250 -1.477 -0.971 1.00 0.00 H new ATOM 0 HB VAL A 65 10.934 0.086 1.608 1.00 0.00 H new ATOM 0 HG11 VAL A 65 8.609 0.313 0.818 1.00 0.00 H new ATOM 0 HG12 VAL A 65 9.776 0.948 -0.366 1.00 0.00 H new ATOM 0 HG13 VAL A 65 9.015 -0.639 -0.630 1.00 0.00 H new ATOM 0 HG21 VAL A 65 9.231 -1.549 2.310 1.00 0.00 H new ATOM 0 HG22 VAL A 65 9.659 -2.582 0.925 1.00 0.00 H new ATOM 0 HG23 VAL A 65 10.850 -2.280 2.212 1.00 0.00 H new ATOM 818 N HIS A 66 12.552 0.468 -1.798 1.00 0.00 N ATOM 819 CA HIS A 66 13.255 1.635 -2.321 1.00 0.00 C ATOM 820 C HIS A 66 12.403 2.892 -2.192 1.00 0.00 C ATOM 821 O HIS A 66 12.694 3.773 -1.383 1.00 0.00 O ATOM 822 CB HIS A 66 13.642 1.411 -3.783 1.00 0.00 C ATOM 823 CG HIS A 66 14.455 0.173 -4.005 1.00 0.00 C ATOM 824 ND1 HIS A 66 14.133 -1.007 -4.586 1.00 0.00 N flip ATOM 825 CD2 HIS A 66 15.770 0.056 -3.609 1.00 0.00 C flip ATOM 826 CE1 HIS A 66 15.249 -1.806 -4.531 1.00 0.00 C flip ATOM 827 NE2 HIS A 66 16.223 -1.141 -3.938 1.00 0.00 N flip ATOM 0 H HIS A 66 12.170 -0.150 -2.514 1.00 0.00 H new ATOM 0 HA HIS A 66 14.161 1.775 -1.731 1.00 0.00 H new ATOM 0 HB2 HIS A 66 12.735 1.353 -4.385 1.00 0.00 H new ATOM 0 HB3 HIS A 66 14.206 2.274 -4.137 1.00 0.00 H new ATOM 0 HD2 HIS A 66 16.341 0.823 -3.108 1.00 0.00 H new ATOM 0 HE1 HIS A 66 15.318 -2.814 -4.911 1.00 0.00 H new ATOM 0 HE2 HIS A 66 17.165 -1.491 -3.763 1.00 0.00 H new ATOM 836 N ARG A 67 11.351 2.971 -2.999 1.00 0.00 N ATOM 837 CA ARG A 67 10.456 4.123 -2.981 1.00 0.00 C ATOM 838 C ARG A 67 9.223 3.863 -3.841 1.00 0.00 C ATOM 839 O ARG A 67 9.064 2.780 -4.402 1.00 0.00 O ATOM 840 CB ARG A 67 11.187 5.372 -3.477 1.00 0.00 C ATOM 841 CG ARG A 67 12.042 5.126 -4.711 1.00 0.00 C ATOM 842 CD ARG A 67 12.308 6.417 -5.469 1.00 0.00 C ATOM 843 NE ARG A 67 13.263 7.275 -4.771 1.00 0.00 N ATOM 844 CZ ARG A 67 13.950 8.254 -5.358 1.00 0.00 C ATOM 845 NH1 ARG A 67 13.789 8.503 -6.650 1.00 0.00 N ATOM 846 NH2 ARG A 67 14.798 8.984 -4.648 1.00 0.00 N ATOM 0 H ARG A 67 11.096 2.250 -3.675 1.00 0.00 H new ATOM 0 HA ARG A 67 10.133 4.287 -1.953 1.00 0.00 H new ATOM 0 HB2 ARG A 67 10.454 6.147 -3.701 1.00 0.00 H new ATOM 0 HB3 ARG A 67 11.820 5.754 -2.676 1.00 0.00 H new ATOM 0 HG2 ARG A 67 12.989 4.675 -4.415 1.00 0.00 H new ATOM 0 HG3 ARG A 67 11.541 4.414 -5.367 1.00 0.00 H new ATOM 0 HD2 ARG A 67 12.690 6.182 -6.462 1.00 0.00 H new ATOM 0 HD3 ARG A 67 11.371 6.956 -5.608 1.00 0.00 H new ATOM 0 HE ARG A 67 13.413 7.115 -3.775 1.00 0.00 H new ATOM 0 HH11 ARG A 67 13.137 7.944 -7.200 1.00 0.00 H new ATOM 0 HH12 ARG A 67 14.317 9.254 -7.094 1.00 0.00 H new ATOM 0 HH21 ARG A 67 14.924 8.796 -3.653 1.00 0.00 H new ATOM 0 HH22 ARG A 67 15.325 9.734 -5.096 1.00 0.00 H new ATOM 860 N LEU A 68 8.353 4.864 -3.943 1.00 0.00 N ATOM 861 CA LEU A 68 7.136 4.738 -4.738 1.00 0.00 C ATOM 862 C LEU A 68 7.057 5.838 -5.791 1.00 0.00 C ATOM 863 O LEU A 68 7.783 6.829 -5.724 1.00 0.00 O ATOM 864 CB LEU A 68 5.896 4.787 -3.838 1.00 0.00 C ATOM 865 CG LEU A 68 6.117 4.332 -2.394 1.00 0.00 C ATOM 866 CD1 LEU A 68 4.957 4.769 -1.510 1.00 0.00 C ATOM 867 CD2 LEU A 68 6.298 2.823 -2.334 1.00 0.00 C ATOM 0 H LEU A 68 8.468 5.769 -3.486 1.00 0.00 H new ATOM 0 HA LEU A 68 7.167 3.774 -5.245 1.00 0.00 H new ATOM 0 HB2 LEU A 68 5.517 5.809 -3.825 1.00 0.00 H new ATOM 0 HB3 LEU A 68 5.120 4.164 -4.283 1.00 0.00 H new ATOM 0 HG LEU A 68 7.026 4.803 -2.020 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.133 4.436 -0.487 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.875 5.856 -1.528 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.031 4.329 -1.881 1.00 0.00 H new ATOM 0 HD21 LEU A 68 6.454 2.516 -1.300 1.00 0.00 H new ATOM 0 HD22 LEU A 68 5.407 2.334 -2.727 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.163 2.536 -2.932 1.00 0.00 H new ATOM 879 N GLU A 69 6.170 5.654 -6.764 1.00 0.00 N ATOM 880 CA GLU A 69 5.995 6.630 -7.833 1.00 0.00 C ATOM 881 C GLU A 69 4.547 6.655 -8.313 1.00 0.00 C ATOM 882 O GLU A 69 3.918 5.610 -8.474 1.00 0.00 O ATOM 883 CB GLU A 69 6.926 6.308 -9.003 1.00 0.00 C ATOM 884 CG GLU A 69 7.130 7.475 -9.955 1.00 0.00 C ATOM 885 CD GLU A 69 8.332 7.284 -10.861 1.00 0.00 C ATOM 886 OE1 GLU A 69 8.254 6.441 -11.780 1.00 0.00 O ATOM 887 OE2 GLU A 69 9.350 7.977 -10.652 1.00 0.00 O ATOM 0 H GLU A 69 5.562 4.838 -6.834 1.00 0.00 H new ATOM 0 HA GLU A 69 6.246 7.614 -7.438 1.00 0.00 H new ATOM 0 HB2 GLU A 69 7.894 5.996 -8.611 1.00 0.00 H new ATOM 0 HB3 GLU A 69 6.519 5.463 -9.559 1.00 0.00 H new ATOM 0 HG2 GLU A 69 6.236 7.602 -10.565 1.00 0.00 H new ATOM 0 HG3 GLU A 69 7.256 8.392 -9.379 1.00 0.00 H new ATOM 894 N HIS A 70 4.023 7.855 -8.540 1.00 0.00 N ATOM 895 CA HIS A 70 2.650 8.013 -9.001 1.00 0.00 C ATOM 896 C HIS A 70 2.480 7.457 -10.412 1.00 0.00 C ATOM 897 O HIS A 70 1.690 6.541 -10.637 1.00 0.00 O ATOM 898 CB HIS A 70 2.246 9.488 -8.970 1.00 0.00 C ATOM 899 CG HIS A 70 1.741 9.939 -7.633 1.00 0.00 C ATOM 900 ND1 HIS A 70 0.495 9.602 -7.147 1.00 0.00 N ATOM 901 CD2 HIS A 70 2.320 10.705 -6.680 1.00 0.00 C ATOM 902 CE1 HIS A 70 0.332 10.141 -5.952 1.00 0.00 C ATOM 903 NE2 HIS A 70 1.425 10.814 -5.645 1.00 0.00 N ATOM 0 H HIS A 70 4.529 8.731 -8.412 1.00 0.00 H new ATOM 0 HA HIS A 70 2.002 7.451 -8.329 1.00 0.00 H new ATOM 0 HB2 HIS A 70 3.105 10.098 -9.250 1.00 0.00 H new ATOM 0 HB3 HIS A 70 1.473 9.661 -9.719 1.00 0.00 H new ATOM 0 HD1 HIS A 70 -0.193 9.027 -7.634 1.00 0.00 H new ATOM 0 HD2 HIS A 70 3.304 11.148 -6.725 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -0.547 10.047 -5.331 1.00 0.00 H new ATOM 0 HE2 HIS A 70 1.580 11.331 -4.779 1.00 0.00 H new ATOM 912 N GLY A 71 3.228 8.017 -11.357 1.00 0.00 N ATOM 913 CA GLY A 71 3.146 7.562 -12.732 1.00 0.00 C ATOM 914 C GLY A 71 3.998 8.394 -13.671 1.00 0.00 C ATOM 915 O GLY A 71 3.475 9.195 -14.448 1.00 0.00 O ATOM 0 H GLY A 71 3.889 8.777 -11.195 1.00 0.00 H new ATOM 0 HA2 GLY A 71 3.463 6.520 -12.786 1.00 0.00 H new ATOM 0 HA3 GLY A 71 2.108 7.597 -13.062 1.00 0.00 H new ATOM 919 N ASP A 72 5.312 8.208 -13.599 1.00 0.00 N ATOM 920 CA ASP A 72 6.236 8.948 -14.449 1.00 0.00 C ATOM 921 C ASP A 72 6.114 10.450 -14.208 1.00 0.00 C ATOM 922 O ASP A 72 6.229 11.249 -15.138 1.00 0.00 O ATOM 923 CB ASP A 72 5.971 8.633 -15.922 1.00 0.00 C ATOM 924 CG ASP A 72 7.203 8.821 -16.786 1.00 0.00 C ATOM 925 OD1 ASP A 72 7.956 9.787 -16.542 1.00 0.00 O ATOM 926 OD2 ASP A 72 7.415 8.002 -17.705 1.00 0.00 O ATOM 0 H ASP A 72 5.760 7.551 -12.961 1.00 0.00 H new ATOM 0 HA ASP A 72 7.250 8.639 -14.195 1.00 0.00 H new ATOM 0 HB2 ASP A 72 5.621 7.605 -16.013 1.00 0.00 H new ATOM 0 HB3 ASP A 72 5.171 9.276 -16.290 1.00 0.00 H new ATOM 931 N GLY A 73 5.881 10.826 -12.955 1.00 0.00 N ATOM 932 CA GLY A 73 5.749 12.230 -12.616 1.00 0.00 C ATOM 933 C GLY A 73 5.162 12.440 -11.234 1.00 0.00 C ATOM 934 O GLY A 73 4.101 13.049 -11.087 1.00 0.00 O ATOM 0 H GLY A 73 5.781 10.184 -12.169 1.00 0.00 H new ATOM 0 HA2 GLY A 73 6.728 12.707 -12.668 1.00 0.00 H new ATOM 0 HA3 GLY A 73 5.116 12.721 -13.355 1.00 0.00 H new ATOM 938 N GLY A 74 5.854 11.938 -10.216 1.00 0.00 N ATOM 939 CA GLY A 74 5.380 12.084 -8.853 1.00 0.00 C ATOM 940 C GLY A 74 6.019 11.086 -7.906 1.00 0.00 C ATOM 941 O GLY A 74 5.324 10.324 -7.236 1.00 0.00 O ATOM 0 H GLY A 74 6.735 11.433 -10.311 1.00 0.00 H new ATOM 0 HA2 GLY A 74 5.590 13.096 -8.505 1.00 0.00 H new ATOM 0 HA3 GLY A 74 4.298 11.958 -8.833 1.00 0.00 H new ATOM 945 N ILE A 75 7.348 11.092 -7.850 1.00 0.00 N ATOM 946 CA ILE A 75 8.080 10.181 -6.980 1.00 0.00 C ATOM 947 C ILE A 75 7.675 10.367 -5.523 1.00 0.00 C ATOM 948 O ILE A 75 7.266 11.456 -5.115 1.00 0.00 O ATOM 949 CB ILE A 75 9.603 10.376 -7.102 1.00 0.00 C ATOM 950 CG1 ILE A 75 10.016 10.433 -8.575 1.00 0.00 C ATOM 951 CG2 ILE A 75 10.336 9.255 -6.378 1.00 0.00 C ATOM 952 CD1 ILE A 75 11.511 10.551 -8.787 1.00 0.00 C ATOM 0 H ILE A 75 7.939 11.718 -8.397 1.00 0.00 H new ATOM 0 HA ILE A 75 7.825 9.172 -7.303 1.00 0.00 H new ATOM 0 HB ILE A 75 9.875 11.322 -6.635 1.00 0.00 H new ATOM 0 HG12 ILE A 75 9.657 9.535 -9.078 1.00 0.00 H new ATOM 0 HG13 ILE A 75 9.523 11.282 -9.048 1.00 0.00 H new ATOM 0 HG21 ILE A 75 11.412 9.404 -6.471 1.00 0.00 H new ATOM 0 HG22 ILE A 75 10.059 9.261 -5.324 1.00 0.00 H new ATOM 0 HG23 ILE A 75 10.063 8.297 -6.820 1.00 0.00 H new ATOM 0 HD11 ILE A 75 11.725 10.586 -9.855 1.00 0.00 H new ATOM 0 HD12 ILE A 75 11.875 11.463 -8.314 1.00 0.00 H new ATOM 0 HD13 ILE A 75 12.010 9.689 -8.345 1.00 0.00 H new ATOM 964 N LEU A 76 7.795 9.300 -4.743 1.00 0.00 N ATOM 965 CA LEU A 76 7.445 9.342 -3.328 1.00 0.00 C ATOM 966 C LEU A 76 8.600 8.844 -2.466 1.00 0.00 C ATOM 967 O LEU A 76 8.941 7.660 -2.490 1.00 0.00 O ATOM 968 CB LEU A 76 6.195 8.498 -3.065 1.00 0.00 C ATOM 969 CG LEU A 76 4.944 8.938 -3.829 1.00 0.00 C ATOM 970 CD1 LEU A 76 4.713 8.045 -5.037 1.00 0.00 C ATOM 971 CD2 LEU A 76 3.728 8.927 -2.914 1.00 0.00 C ATOM 0 H LEU A 76 8.133 8.393 -5.067 1.00 0.00 H new ATOM 0 HA LEU A 76 7.238 10.378 -3.061 1.00 0.00 H new ATOM 0 HB2 LEU A 76 6.414 7.462 -3.323 1.00 0.00 H new ATOM 0 HB3 LEU A 76 5.977 8.522 -1.997 1.00 0.00 H new ATOM 0 HG LEU A 76 5.098 9.958 -4.182 1.00 0.00 H new ATOM 0 HD11 LEU A 76 3.819 8.374 -5.567 1.00 0.00 H new ATOM 0 HD12 LEU A 76 5.573 8.105 -5.704 1.00 0.00 H new ATOM 0 HD13 LEU A 76 4.581 7.014 -4.708 1.00 0.00 H new ATOM 0 HD21 LEU A 76 2.848 9.243 -3.474 1.00 0.00 H new ATOM 0 HD22 LEU A 76 3.571 7.919 -2.529 1.00 0.00 H new ATOM 0 HD23 LEU A 76 3.893 9.611 -2.082 1.00 0.00 H new ATOM 983 N ASP A 77 9.196 9.756 -1.706 1.00 0.00 N ATOM 984 CA ASP A 77 10.313 9.414 -0.834 1.00 0.00 C ATOM 985 C ASP A 77 9.825 9.118 0.583 1.00 0.00 C ATOM 986 O ASP A 77 8.634 8.896 0.803 1.00 0.00 O ATOM 987 CB ASP A 77 11.335 10.554 -0.811 1.00 0.00 C ATOM 988 CG ASP A 77 12.764 10.047 -0.815 1.00 0.00 C ATOM 989 OD1 ASP A 77 12.979 8.871 -0.454 1.00 0.00 O ATOM 990 OD2 ASP A 77 13.670 10.828 -1.179 1.00 0.00 O ATOM 0 H ASP A 77 8.924 10.739 -1.676 1.00 0.00 H new ATOM 0 HA ASP A 77 10.791 8.517 -1.227 1.00 0.00 H new ATOM 0 HB2 ASP A 77 11.178 11.197 -1.677 1.00 0.00 H new ATOM 0 HB3 ASP A 77 11.172 11.167 0.075 1.00 0.00 H new ATOM 995 N LEU A 78 10.750 9.112 1.537 1.00 0.00 N ATOM 996 CA LEU A 78 10.413 8.838 2.928 1.00 0.00 C ATOM 997 C LEU A 78 10.570 10.091 3.785 1.00 0.00 C ATOM 998 O LEU A 78 11.546 10.232 4.523 1.00 0.00 O ATOM 999 CB LEU A 78 11.301 7.717 3.472 1.00 0.00 C ATOM 1000 CG LEU A 78 11.498 6.534 2.524 1.00 0.00 C ATOM 1001 CD1 LEU A 78 12.823 5.841 2.802 1.00 0.00 C ATOM 1002 CD2 LEU A 78 10.343 5.550 2.657 1.00 0.00 C ATOM 0 H LEU A 78 11.740 9.294 1.371 1.00 0.00 H new ATOM 0 HA LEU A 78 9.370 8.523 2.971 1.00 0.00 H new ATOM 0 HB2 LEU A 78 12.278 8.134 3.717 1.00 0.00 H new ATOM 0 HB3 LEU A 78 10.868 7.350 4.403 1.00 0.00 H new ATOM 0 HG LEU A 78 11.516 6.911 1.501 1.00 0.00 H new ATOM 0 HD11 LEU A 78 12.945 5.002 2.117 1.00 0.00 H new ATOM 0 HD12 LEU A 78 13.640 6.548 2.659 1.00 0.00 H new ATOM 0 HD13 LEU A 78 12.834 5.476 3.829 1.00 0.00 H new ATOM 0 HD21 LEU A 78 10.498 4.713 1.976 1.00 0.00 H new ATOM 0 HD22 LEU A 78 10.296 5.180 3.681 1.00 0.00 H new ATOM 0 HD23 LEU A 78 9.407 6.051 2.409 1.00 0.00 H new ATOM 1014 N ASP A 79 9.604 11.000 3.682 1.00 0.00 N ATOM 1015 CA ASP A 79 9.638 12.239 4.450 1.00 0.00 C ATOM 1016 C ASP A 79 8.388 13.078 4.196 1.00 0.00 C ATOM 1017 O ASP A 79 7.648 13.406 5.126 1.00 0.00 O ATOM 1018 CB ASP A 79 10.890 13.047 4.098 1.00 0.00 C ATOM 1019 CG ASP A 79 11.662 13.481 5.328 1.00 0.00 C ATOM 1020 OD1 ASP A 79 11.028 13.970 6.286 1.00 0.00 O ATOM 1021 OD2 ASP A 79 12.902 13.333 5.333 1.00 0.00 O ATOM 0 H ASP A 79 8.790 10.901 3.075 1.00 0.00 H new ATOM 0 HA ASP A 79 9.666 11.978 5.508 1.00 0.00 H new ATOM 0 HB2 ASP A 79 11.538 12.448 3.458 1.00 0.00 H new ATOM 0 HB3 ASP A 79 10.601 13.928 3.524 1.00 0.00 H new ATOM 1026 N ASP A 80 8.159 13.426 2.934 1.00 0.00 N ATOM 1027 CA ASP A 80 7.000 14.230 2.557 1.00 0.00 C ATOM 1028 C ASP A 80 5.699 13.560 2.988 1.00 0.00 C ATOM 1029 O ASP A 80 5.517 12.357 2.800 1.00 0.00 O ATOM 1030 CB ASP A 80 6.989 14.465 1.047 1.00 0.00 C ATOM 1031 CG ASP A 80 8.222 15.207 0.566 1.00 0.00 C ATOM 1032 OD1 ASP A 80 9.338 14.675 0.735 1.00 0.00 O ATOM 1033 OD2 ASP A 80 8.069 16.322 0.023 1.00 0.00 O ATOM 0 H ASP A 80 8.761 13.164 2.153 1.00 0.00 H new ATOM 0 HA ASP A 80 7.076 15.189 3.070 1.00 0.00 H new ATOM 0 HB2 ASP A 80 6.923 13.506 0.534 1.00 0.00 H new ATOM 0 HB3 ASP A 80 6.099 15.033 0.777 1.00 0.00 H new ATOM 1038 N ILE A 81 4.797 14.347 3.568 1.00 0.00 N ATOM 1039 CA ILE A 81 3.512 13.835 4.027 1.00 0.00 C ATOM 1040 C ILE A 81 2.749 13.153 2.898 1.00 0.00 C ATOM 1041 O ILE A 81 3.010 13.392 1.721 1.00 0.00 O ATOM 1042 CB ILE A 81 2.661 14.972 4.627 1.00 0.00 C ATOM 1043 CG1 ILE A 81 3.294 15.442 5.929 1.00 0.00 C ATOM 1044 CG2 ILE A 81 1.224 14.520 4.864 1.00 0.00 C ATOM 1045 CD1 ILE A 81 3.274 14.381 7.007 1.00 0.00 C ATOM 0 H ILE A 81 4.934 15.344 3.731 1.00 0.00 H new ATOM 0 HA ILE A 81 3.710 13.092 4.800 1.00 0.00 H new ATOM 0 HB ILE A 81 2.632 15.799 3.918 1.00 0.00 H new ATOM 0 HG12 ILE A 81 4.325 15.741 5.739 1.00 0.00 H new ATOM 0 HG13 ILE A 81 2.766 16.326 6.286 1.00 0.00 H new ATOM 0 HG21 ILE A 81 0.649 15.343 5.288 1.00 0.00 H new ATOM 0 HG22 ILE A 81 0.778 14.215 3.918 1.00 0.00 H new ATOM 0 HG23 ILE A 81 1.217 13.678 5.557 1.00 0.00 H new ATOM 0 HD11 ILE A 81 3.738 14.773 7.912 1.00 0.00 H new ATOM 0 HD12 ILE A 81 2.243 14.099 7.221 1.00 0.00 H new ATOM 0 HD13 ILE A 81 3.826 13.505 6.666 1.00 0.00 H new ATOM 1057 N LEU A 82 1.806 12.296 3.275 1.00 0.00 N ATOM 1058 CA LEU A 82 1.005 11.566 2.304 1.00 0.00 C ATOM 1059 C LEU A 82 0.044 12.495 1.566 1.00 0.00 C ATOM 1060 O LEU A 82 0.032 12.543 0.338 1.00 0.00 O ATOM 1061 CB LEU A 82 0.223 10.446 2.996 1.00 0.00 C ATOM 1062 CG LEU A 82 -0.727 9.662 2.089 1.00 0.00 C ATOM 1063 CD1 LEU A 82 0.045 8.653 1.253 1.00 0.00 C ATOM 1064 CD2 LEU A 82 -1.797 8.966 2.915 1.00 0.00 C ATOM 0 H LEU A 82 1.579 12.091 4.248 1.00 0.00 H new ATOM 0 HA LEU A 82 1.684 11.130 1.572 1.00 0.00 H new ATOM 0 HB2 LEU A 82 0.933 9.749 3.441 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -0.354 10.878 3.813 1.00 0.00 H new ATOM 0 HG LEU A 82 -1.217 10.363 1.413 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -0.647 8.105 0.614 1.00 0.00 H new ATOM 0 HD12 LEU A 82 0.774 9.176 0.634 1.00 0.00 H new ATOM 0 HD13 LEU A 82 0.562 7.955 1.911 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -2.464 8.413 2.254 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -1.325 8.276 3.615 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -2.370 9.710 3.469 1.00 0.00 H new ATOM 1076 N CYS A 83 -0.767 13.225 2.325 1.00 0.00 N ATOM 1077 CA CYS A 83 -1.739 14.149 1.744 1.00 0.00 C ATOM 1078 C CYS A 83 -1.078 15.115 0.763 1.00 0.00 C ATOM 1079 O CYS A 83 -1.739 15.660 -0.123 1.00 0.00 O ATOM 1080 CB CYS A 83 -2.448 14.933 2.852 1.00 0.00 C ATOM 1081 SG CYS A 83 -4.151 14.410 3.153 1.00 0.00 S ATOM 0 H CYS A 83 -0.772 13.196 3.345 1.00 0.00 H new ATOM 0 HA CYS A 83 -2.471 13.559 1.192 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -1.879 14.830 3.776 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -2.445 15.992 2.592 1.00 0.00 H new ATOM 0 HG CYS A 83 -4.378 13.292 2.530 1.00 0.00 H new ATOM 1087 N ASP A 84 0.223 15.335 0.929 1.00 0.00 N ATOM 1088 CA ASP A 84 0.958 16.245 0.060 1.00 0.00 C ATOM 1089 C ASP A 84 1.386 15.559 -1.237 1.00 0.00 C ATOM 1090 O ASP A 84 1.006 15.986 -2.328 1.00 0.00 O ATOM 1091 CB ASP A 84 2.188 16.793 0.789 1.00 0.00 C ATOM 1092 CG ASP A 84 2.340 18.292 0.620 1.00 0.00 C ATOM 1093 OD1 ASP A 84 1.418 19.032 1.028 1.00 0.00 O ATOM 1094 OD2 ASP A 84 3.378 18.727 0.081 1.00 0.00 O ATOM 0 H ASP A 84 0.788 14.896 1.656 1.00 0.00 H new ATOM 0 HA ASP A 84 0.292 17.068 -0.198 1.00 0.00 H new ATOM 0 HB2 ASP A 84 2.114 16.555 1.850 1.00 0.00 H new ATOM 0 HB3 ASP A 84 3.082 16.295 0.413 1.00 0.00 H new ATOM 1099 N VAL A 85 2.187 14.506 -1.112 1.00 0.00 N ATOM 1100 CA VAL A 85 2.675 13.776 -2.278 1.00 0.00 C ATOM 1101 C VAL A 85 1.585 12.916 -2.909 1.00 0.00 C ATOM 1102 O VAL A 85 1.417 12.907 -4.127 1.00 0.00 O ATOM 1103 CB VAL A 85 3.876 12.882 -1.918 1.00 0.00 C ATOM 1104 CG1 VAL A 85 5.044 13.725 -1.427 1.00 0.00 C ATOM 1105 CG2 VAL A 85 3.484 11.845 -0.876 1.00 0.00 C ATOM 0 H VAL A 85 2.512 14.139 -0.217 1.00 0.00 H new ATOM 0 HA VAL A 85 2.989 14.529 -3.001 1.00 0.00 H new ATOM 0 HB VAL A 85 4.190 12.355 -2.819 1.00 0.00 H new ATOM 0 HG11 VAL A 85 5.883 13.075 -1.178 1.00 0.00 H new ATOM 0 HG12 VAL A 85 5.345 14.421 -2.210 1.00 0.00 H new ATOM 0 HG13 VAL A 85 4.742 14.284 -0.541 1.00 0.00 H new ATOM 0 HG21 VAL A 85 4.348 11.225 -0.637 1.00 0.00 H new ATOM 0 HG22 VAL A 85 3.138 12.349 0.027 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.685 11.217 -1.270 1.00 0.00 H new ATOM 1115 N ALA A 86 0.850 12.190 -2.076 1.00 0.00 N ATOM 1116 CA ALA A 86 -0.216 11.321 -2.558 1.00 0.00 C ATOM 1117 C ALA A 86 -1.558 12.046 -2.569 1.00 0.00 C ATOM 1118 O ALA A 86 -1.667 13.178 -2.101 1.00 0.00 O ATOM 1119 CB ALA A 86 -0.301 10.067 -1.702 1.00 0.00 C ATOM 0 H ALA A 86 0.973 12.186 -1.063 1.00 0.00 H new ATOM 0 HA ALA A 86 0.020 11.035 -3.583 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -1.101 9.427 -2.073 1.00 0.00 H new ATOM 0 HB2 ALA A 86 0.646 9.529 -1.750 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -0.508 10.345 -0.669 1.00 0.00 H new ATOM 1125 N ASP A 87 -2.577 11.378 -3.100 1.00 0.00 N ATOM 1126 CA ASP A 87 -3.916 11.951 -3.169 1.00 0.00 C ATOM 1127 C ASP A 87 -4.971 10.900 -2.836 1.00 0.00 C ATOM 1128 O ASP A 87 -4.738 9.701 -2.993 1.00 0.00 O ATOM 1129 CB ASP A 87 -4.178 12.528 -4.561 1.00 0.00 C ATOM 1130 CG ASP A 87 -3.506 13.872 -4.765 1.00 0.00 C ATOM 1131 OD1 ASP A 87 -2.330 13.891 -5.189 1.00 0.00 O ATOM 1132 OD2 ASP A 87 -4.154 14.906 -4.502 1.00 0.00 O ATOM 0 H ASP A 87 -2.501 10.438 -3.489 1.00 0.00 H new ATOM 0 HA ASP A 87 -3.979 12.754 -2.434 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -3.820 11.827 -5.315 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -5.252 12.635 -4.711 1.00 0.00 H new ATOM 1137 N ASP A 88 -6.131 11.355 -2.373 1.00 0.00 N ATOM 1138 CA ASP A 88 -7.222 10.451 -2.016 1.00 0.00 C ATOM 1139 C ASP A 88 -7.587 9.549 -3.192 1.00 0.00 C ATOM 1140 O ASP A 88 -7.551 9.976 -4.345 1.00 0.00 O ATOM 1141 CB ASP A 88 -8.447 11.250 -1.569 1.00 0.00 C ATOM 1142 CG ASP A 88 -8.475 11.476 -0.070 1.00 0.00 C ATOM 1143 OD1 ASP A 88 -7.817 12.428 0.399 1.00 0.00 O ATOM 1144 OD2 ASP A 88 -9.156 10.701 0.634 1.00 0.00 O ATOM 0 H ASP A 88 -6.341 12.344 -2.236 1.00 0.00 H new ATOM 0 HA ASP A 88 -6.887 9.823 -1.191 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -8.455 12.213 -2.079 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -9.352 10.722 -1.871 1.00 0.00 H new ATOM 1149 N LYS A 89 -7.936 8.300 -2.884 1.00 0.00 N ATOM 1150 CA LYS A 89 -8.311 7.317 -3.905 1.00 0.00 C ATOM 1151 C LYS A 89 -7.407 7.413 -5.134 1.00 0.00 C ATOM 1152 O LYS A 89 -7.885 7.500 -6.265 1.00 0.00 O ATOM 1153 CB LYS A 89 -9.778 7.498 -4.307 1.00 0.00 C ATOM 1154 CG LYS A 89 -10.056 8.779 -5.081 1.00 0.00 C ATOM 1155 CD LYS A 89 -11.065 8.545 -6.194 1.00 0.00 C ATOM 1156 CE LYS A 89 -11.513 9.855 -6.822 1.00 0.00 C ATOM 1157 NZ LYS A 89 -12.824 10.310 -6.281 1.00 0.00 N ATOM 0 H LYS A 89 -7.967 7.942 -1.930 1.00 0.00 H new ATOM 0 HA LYS A 89 -8.182 6.324 -3.474 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -10.085 6.646 -4.913 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -10.394 7.488 -3.408 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -10.433 9.543 -4.401 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -9.126 9.160 -5.504 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -10.624 7.906 -6.959 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -11.931 8.016 -5.797 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -10.759 10.621 -6.640 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -11.589 9.733 -7.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -13.094 11.206 -6.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -13.549 9.590 -6.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -12.745 10.452 -5.254 1.00 0.00 H new ATOM 1171 N ASP A 90 -6.100 7.396 -4.901 1.00 0.00 N ATOM 1172 CA ASP A 90 -5.129 7.485 -5.988 1.00 0.00 C ATOM 1173 C ASP A 90 -4.373 6.171 -6.162 1.00 0.00 C ATOM 1174 O ASP A 90 -4.500 5.256 -5.348 1.00 0.00 O ATOM 1175 CB ASP A 90 -4.141 8.623 -5.722 1.00 0.00 C ATOM 1176 CG ASP A 90 -3.549 9.186 -6.999 1.00 0.00 C ATOM 1177 OD1 ASP A 90 -4.329 9.585 -7.890 1.00 0.00 O ATOM 1178 OD2 ASP A 90 -2.305 9.227 -7.109 1.00 0.00 O ATOM 0 H ASP A 90 -5.687 7.322 -3.971 1.00 0.00 H new ATOM 0 HA ASP A 90 -5.674 7.689 -6.909 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -4.647 9.420 -5.177 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -3.337 8.260 -5.081 1.00 0.00 H new ATOM 1183 N ARG A 91 -3.585 6.087 -7.232 1.00 0.00 N ATOM 1184 CA ARG A 91 -2.806 4.889 -7.522 1.00 0.00 C ATOM 1185 C ARG A 91 -1.317 5.214 -7.600 1.00 0.00 C ATOM 1186 O ARG A 91 -0.931 6.298 -8.041 1.00 0.00 O ATOM 1187 CB ARG A 91 -3.269 4.258 -8.836 1.00 0.00 C ATOM 1188 CG ARG A 91 -4.528 3.416 -8.698 1.00 0.00 C ATOM 1189 CD ARG A 91 -5.763 4.170 -9.163 1.00 0.00 C ATOM 1190 NE ARG A 91 -6.463 3.468 -10.236 1.00 0.00 N ATOM 1191 CZ ARG A 91 -6.090 3.501 -11.514 1.00 0.00 C ATOM 1192 NH1 ARG A 91 -5.024 4.202 -11.883 1.00 0.00 N ATOM 1193 NH2 ARG A 91 -6.784 2.834 -12.425 1.00 0.00 N ATOM 0 H ARG A 91 -3.470 6.838 -7.913 1.00 0.00 H new ATOM 0 HA ARG A 91 -2.964 4.179 -6.710 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -3.449 5.048 -9.565 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -2.467 3.635 -9.232 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -4.419 2.501 -9.281 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -4.654 3.118 -7.657 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -6.440 4.311 -8.320 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -5.473 5.162 -9.508 1.00 0.00 H new ATOM 0 HE ARG A 91 -7.287 2.919 -9.992 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -4.487 4.718 -11.186 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -4.742 4.224 -12.863 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -7.604 2.295 -12.147 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -6.498 2.860 -13.404 1.00 0.00 H new ATOM 1207 N LEU A 92 -0.486 4.270 -7.171 1.00 0.00 N ATOM 1208 CA LEU A 92 0.962 4.453 -7.193 1.00 0.00 C ATOM 1209 C LEU A 92 1.676 3.123 -7.413 1.00 0.00 C ATOM 1210 O LEU A 92 1.062 2.059 -7.344 1.00 0.00 O ATOM 1211 CB LEU A 92 1.439 5.084 -5.882 1.00 0.00 C ATOM 1212 CG LEU A 92 0.507 6.146 -5.291 1.00 0.00 C ATOM 1213 CD1 LEU A 92 -0.587 5.493 -4.461 1.00 0.00 C ATOM 1214 CD2 LEU A 92 1.297 7.136 -4.449 1.00 0.00 C ATOM 0 H LEU A 92 -0.790 3.369 -6.803 1.00 0.00 H new ATOM 0 HA LEU A 92 1.204 5.119 -8.021 1.00 0.00 H new ATOM 0 HB2 LEU A 92 1.575 4.292 -5.145 1.00 0.00 H new ATOM 0 HB3 LEU A 92 2.417 5.535 -6.049 1.00 0.00 H new ATOM 0 HG LEU A 92 0.037 6.689 -6.111 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -1.240 6.263 -4.049 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -1.170 4.822 -5.091 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -0.136 4.926 -3.647 1.00 0.00 H new ATOM 0 HD21 LEU A 92 0.620 7.884 -4.036 1.00 0.00 H new ATOM 0 HD22 LEU A 92 1.793 6.607 -3.635 1.00 0.00 H new ATOM 0 HD23 LEU A 92 2.045 7.627 -5.071 1.00 0.00 H new ATOM 1226 N VAL A 93 2.978 3.193 -7.675 1.00 0.00 N ATOM 1227 CA VAL A 93 3.780 1.995 -7.901 1.00 0.00 C ATOM 1228 C VAL A 93 4.913 1.896 -6.882 1.00 0.00 C ATOM 1229 O VAL A 93 5.746 2.797 -6.777 1.00 0.00 O ATOM 1230 CB VAL A 93 4.373 1.977 -9.325 1.00 0.00 C ATOM 1231 CG1 VAL A 93 5.313 3.155 -9.537 1.00 0.00 C ATOM 1232 CG2 VAL A 93 5.086 0.658 -9.588 1.00 0.00 C ATOM 0 H VAL A 93 3.500 4.067 -7.736 1.00 0.00 H new ATOM 0 HA VAL A 93 3.116 1.138 -7.785 1.00 0.00 H new ATOM 0 HB VAL A 93 3.554 2.071 -10.038 1.00 0.00 H new ATOM 0 HG11 VAL A 93 5.718 3.120 -10.548 1.00 0.00 H new ATOM 0 HG12 VAL A 93 4.765 4.087 -9.398 1.00 0.00 H new ATOM 0 HG13 VAL A 93 6.130 3.103 -8.817 1.00 0.00 H new ATOM 0 HG21 VAL A 93 5.498 0.662 -10.597 1.00 0.00 H new ATOM 0 HG22 VAL A 93 5.893 0.531 -8.867 1.00 0.00 H new ATOM 0 HG23 VAL A 93 4.378 -0.165 -9.489 1.00 0.00 H new ATOM 1242 N ALA A 94 4.935 0.799 -6.135 1.00 0.00 N ATOM 1243 CA ALA A 94 5.962 0.584 -5.124 1.00 0.00 C ATOM 1244 C ALA A 94 7.098 -0.281 -5.658 1.00 0.00 C ATOM 1245 O ALA A 94 6.886 -1.428 -6.057 1.00 0.00 O ATOM 1246 CB ALA A 94 5.354 -0.051 -3.881 1.00 0.00 C ATOM 0 H ALA A 94 4.253 0.044 -6.211 1.00 0.00 H new ATOM 0 HA ALA A 94 6.379 1.556 -4.860 1.00 0.00 H new ATOM 0 HB1 ALA A 94 6.132 -0.206 -3.134 1.00 0.00 H new ATOM 0 HB2 ALA A 94 4.587 0.608 -3.474 1.00 0.00 H new ATOM 0 HB3 ALA A 94 4.907 -1.010 -4.144 1.00 0.00 H new ATOM 1252 N VAL A 95 8.304 0.278 -5.661 1.00 0.00 N ATOM 1253 CA VAL A 95 9.481 -0.439 -6.139 1.00 0.00 C ATOM 1254 C VAL A 95 10.350 -0.892 -4.972 1.00 0.00 C ATOM 1255 O VAL A 95 10.820 -0.074 -4.180 1.00 0.00 O ATOM 1256 CB VAL A 95 10.326 0.436 -7.086 1.00 0.00 C ATOM 1257 CG1 VAL A 95 11.433 -0.386 -7.727 1.00 0.00 C ATOM 1258 CG2 VAL A 95 9.444 1.079 -8.145 1.00 0.00 C ATOM 0 H VAL A 95 8.492 1.227 -5.337 1.00 0.00 H new ATOM 0 HA VAL A 95 9.124 -1.311 -6.687 1.00 0.00 H new ATOM 0 HB VAL A 95 10.790 1.231 -6.502 1.00 0.00 H new ATOM 0 HG11 VAL A 95 12.019 0.249 -8.392 1.00 0.00 H new ATOM 0 HG12 VAL A 95 12.080 -0.793 -6.950 1.00 0.00 H new ATOM 0 HG13 VAL A 95 10.994 -1.204 -8.299 1.00 0.00 H new ATOM 0 HG21 VAL A 95 10.057 1.693 -8.805 1.00 0.00 H new ATOM 0 HG22 VAL A 95 8.950 0.302 -8.728 1.00 0.00 H new ATOM 0 HG23 VAL A 95 8.692 1.704 -7.662 1.00 0.00 H new ATOM 1268 N PHE A 96 10.557 -2.200 -4.866 1.00 0.00 N ATOM 1269 CA PHE A 96 11.365 -2.759 -3.790 1.00 0.00 C ATOM 1270 C PHE A 96 12.118 -3.999 -4.255 1.00 0.00 C ATOM 1271 O PHE A 96 12.025 -4.399 -5.416 1.00 0.00 O ATOM 1272 CB PHE A 96 10.476 -3.111 -2.595 1.00 0.00 C ATOM 1273 CG PHE A 96 9.522 -4.241 -2.866 1.00 0.00 C ATOM 1274 CD1 PHE A 96 8.568 -4.134 -3.864 1.00 0.00 C ATOM 1275 CD2 PHE A 96 9.586 -5.410 -2.126 1.00 0.00 C ATOM 1276 CE1 PHE A 96 7.693 -5.173 -4.117 1.00 0.00 C ATOM 1277 CE2 PHE A 96 8.712 -6.452 -2.375 1.00 0.00 C ATOM 1278 CZ PHE A 96 7.765 -6.332 -3.372 1.00 0.00 C ATOM 0 H PHE A 96 10.177 -2.892 -5.512 1.00 0.00 H new ATOM 0 HA PHE A 96 12.095 -2.007 -3.491 1.00 0.00 H new ATOM 0 HB2 PHE A 96 11.109 -3.376 -1.748 1.00 0.00 H new ATOM 0 HB3 PHE A 96 9.907 -2.228 -2.304 1.00 0.00 H new ATOM 0 HD1 PHE A 96 8.507 -3.229 -4.451 1.00 0.00 H new ATOM 0 HD2 PHE A 96 10.327 -5.509 -1.346 1.00 0.00 H new ATOM 0 HE1 PHE A 96 6.953 -5.078 -4.898 1.00 0.00 H new ATOM 0 HE2 PHE A 96 8.770 -7.358 -1.790 1.00 0.00 H new ATOM 0 HZ PHE A 96 7.081 -7.144 -3.569 1.00 0.00 H new ATOM 1288 N ASP A 97 12.857 -4.610 -3.335 1.00 0.00 N ATOM 1289 CA ASP A 97 13.621 -5.812 -3.637 1.00 0.00 C ATOM 1290 C ASP A 97 13.109 -6.986 -2.811 1.00 0.00 C ATOM 1291 O ASP A 97 12.466 -6.794 -1.779 1.00 0.00 O ATOM 1292 CB ASP A 97 15.108 -5.585 -3.358 1.00 0.00 C ATOM 1293 CG ASP A 97 15.998 -6.233 -4.400 1.00 0.00 C ATOM 1294 OD1 ASP A 97 16.340 -7.422 -4.231 1.00 0.00 O ATOM 1295 OD2 ASP A 97 16.353 -5.551 -5.384 1.00 0.00 O ATOM 0 H ASP A 97 12.942 -4.290 -2.370 1.00 0.00 H new ATOM 0 HA ASP A 97 13.495 -6.043 -4.695 1.00 0.00 H new ATOM 0 HB2 ASP A 97 15.310 -4.514 -3.327 1.00 0.00 H new ATOM 0 HB3 ASP A 97 15.355 -5.984 -2.374 1.00 0.00 H new ATOM 1300 N GLU A 98 13.390 -8.202 -3.266 1.00 0.00 N ATOM 1301 CA GLU A 98 12.947 -9.395 -2.557 1.00 0.00 C ATOM 1302 C GLU A 98 13.774 -10.611 -2.952 1.00 0.00 C ATOM 1303 O GLU A 98 14.051 -10.829 -4.132 1.00 0.00 O ATOM 1304 CB GLU A 98 11.467 -9.659 -2.838 1.00 0.00 C ATOM 1305 CG GLU A 98 11.121 -9.677 -4.317 1.00 0.00 C ATOM 1306 CD GLU A 98 9.954 -10.594 -4.633 1.00 0.00 C ATOM 1307 OE1 GLU A 98 9.872 -11.679 -4.020 1.00 0.00 O ATOM 1308 OE2 GLU A 98 9.125 -10.226 -5.490 1.00 0.00 O ATOM 0 H GLU A 98 13.920 -8.386 -4.118 1.00 0.00 H new ATOM 0 HA GLU A 98 13.085 -9.220 -1.490 1.00 0.00 H new ATOM 0 HB2 GLU A 98 11.187 -10.616 -2.397 1.00 0.00 H new ATOM 0 HB3 GLU A 98 10.870 -8.893 -2.343 1.00 0.00 H new ATOM 0 HG2 GLU A 98 10.881 -8.665 -4.642 1.00 0.00 H new ATOM 0 HG3 GLU A 98 11.994 -9.997 -4.887 1.00 0.00 H new ATOM 1315 N GLN A 99 14.159 -11.410 -1.961 1.00 0.00 N ATOM 1316 CA GLN A 99 14.946 -12.611 -2.216 1.00 0.00 C ATOM 1317 C GLN A 99 14.326 -13.829 -1.539 1.00 0.00 C ATOM 1318 O GLN A 99 14.808 -14.289 -0.504 1.00 0.00 O ATOM 1319 CB GLN A 99 16.393 -12.439 -1.752 1.00 0.00 C ATOM 1320 CG GLN A 99 17.338 -13.464 -2.347 1.00 0.00 C ATOM 1321 CD GLN A 99 18.668 -13.524 -1.623 1.00 0.00 C ATOM 1322 OE1 GLN A 99 19.603 -12.795 -1.954 1.00 0.00 O ATOM 1323 NE2 GLN A 99 18.760 -14.396 -0.625 1.00 0.00 N ATOM 0 H GLN A 99 13.940 -11.248 -0.978 1.00 0.00 H new ATOM 0 HA GLN A 99 14.946 -12.772 -3.294 1.00 0.00 H new ATOM 0 HB2 GLN A 99 16.737 -11.440 -2.019 1.00 0.00 H new ATOM 0 HB3 GLN A 99 16.430 -12.509 -0.665 1.00 0.00 H new ATOM 0 HG2 GLN A 99 16.868 -14.447 -2.316 1.00 0.00 H new ATOM 0 HG3 GLN A 99 17.511 -13.226 -3.397 1.00 0.00 H new ATOM 0 HE21 GLN A 99 17.960 -14.981 -0.384 1.00 0.00 H new ATOM 0 HE22 GLN A 99 19.630 -14.480 -0.100 1.00 0.00 H new ATOM 1332 N ASP A 100 13.256 -14.348 -2.133 1.00 0.00 N ATOM 1333 CA ASP A 100 12.570 -15.513 -1.589 1.00 0.00 C ATOM 1334 C ASP A 100 13.174 -16.803 -2.132 1.00 0.00 C ATOM 1335 O ASP A 100 12.669 -17.889 -1.777 1.00 0.00 O ATOM 1336 CB ASP A 100 11.078 -15.455 -1.922 1.00 0.00 C ATOM 1337 CG ASP A 100 10.220 -16.109 -0.855 1.00 0.00 C ATOM 1338 OD1 ASP A 100 10.550 -17.238 -0.438 1.00 0.00 O ATOM 1339 OD2 ASP A 100 9.220 -15.489 -0.437 1.00 0.00 O ATOM 1340 OXT ASP A 100 14.147 -16.717 -2.911 1.00 0.00 O ATOM 0 H ASP A 100 12.846 -13.980 -2.991 1.00 0.00 H new ATOM 0 HA ASP A 100 12.694 -15.503 -0.506 1.00 0.00 H new ATOM 0 HB2 ASP A 100 10.775 -14.415 -2.040 1.00 0.00 H new ATOM 0 HB3 ASP A 100 10.903 -15.948 -2.878 1.00 0.00 H new TER 1345 ASP A 100