USER MOD reduce.3.24.130724 H: found=0, std=0, add=664, rem=0, adj=14 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 51 TYR OH : rot 173:sc= 0.853 USER MOD Set 1.2: A 57 LYS NZ :NH3+ -165:sc= 0.915 (180deg=0.469) USER MOD Set 2.1: A 33 CYS SG : rot 180:sc= -1.58 USER MOD Set 2.2: A 38 MET CE :methyl -141:sc= -2.12 (180deg=0) USER MOD Set 2.3: A 42 SER OG : rot 150:sc= -0.975 USER MOD Set 2.4: A 46 GLN : amide:sc= -2.91 K(o=-7.6,f=-9.3!) USER MOD Set 3.1: A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot -45:sc= 0.554 USER MOD Single : A 23 CYS SG : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 THR OG1 : rot 75:sc= 0.12 USER MOD Single : A 53 LYS NZ :NH3+ -112:sc= 0.151 (180deg=0.0884) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 TYR OH : rot -30:sc= -0.706 USER MOD Single : A 64 GLN : amide:sc= -0.275 X(o=-0.27,f=-0.3) USER MOD Single : A 66 HIS : no HD1:sc= 0.803 K(o=0.8,f=-2.5!) USER MOD Single : A 70 HIS : +bothHN:sc= -0.284 K(o=-0.28,f=-2.7) USER MOD Single : A 83 CYS SG : rot 180:sc= -1.71 USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 16 -14.943 11.436 4.127 1.00 0.00 N ATOM 2 CA SER A 16 -14.175 10.220 3.876 1.00 0.00 C ATOM 3 C SER A 16 -12.756 10.350 4.420 1.00 0.00 C ATOM 4 O SER A 16 -12.446 11.289 5.153 1.00 0.00 O ATOM 5 CB SER A 16 -14.136 9.918 2.376 1.00 0.00 C ATOM 6 OG SER A 16 -13.124 10.670 1.729 1.00 0.00 O ATOM 0 HA SER A 16 -14.667 9.395 4.392 1.00 0.00 H new ATOM 0 HB2 SER A 16 -13.958 8.854 2.221 1.00 0.00 H new ATOM 0 HB3 SER A 16 -15.104 10.147 1.931 1.00 0.00 H new ATOM 0 HG SER A 16 -13.119 10.457 0.772 1.00 0.00 H new ATOM 12 N GLU A 17 -11.898 9.403 4.055 1.00 0.00 N ATOM 13 CA GLU A 17 -10.512 9.413 4.508 1.00 0.00 C ATOM 14 C GLU A 17 -9.555 9.261 3.329 1.00 0.00 C ATOM 15 O GLU A 17 -9.974 9.284 2.171 1.00 0.00 O ATOM 16 CB GLU A 17 -10.277 8.291 5.521 1.00 0.00 C ATOM 17 CG GLU A 17 -10.427 6.897 4.934 1.00 0.00 C ATOM 18 CD GLU A 17 -11.660 6.178 5.449 1.00 0.00 C ATOM 19 OE1 GLU A 17 -11.793 6.036 6.682 1.00 0.00 O ATOM 20 OE2 GLU A 17 -12.490 5.755 4.617 1.00 0.00 O ATOM 0 H GLU A 17 -12.138 8.620 3.447 1.00 0.00 H new ATOM 0 HA GLU A 17 -10.318 10.372 4.989 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -9.275 8.394 5.938 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -10.980 8.406 6.346 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -10.479 6.968 3.848 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -9.541 6.309 5.173 1.00 0.00 H new ATOM 27 N PHE A 18 -8.271 9.103 3.630 1.00 0.00 N ATOM 28 CA PHE A 18 -7.258 8.946 2.592 1.00 0.00 C ATOM 29 C PHE A 18 -7.210 7.504 2.098 1.00 0.00 C ATOM 30 O PHE A 18 -7.537 6.574 2.836 1.00 0.00 O ATOM 31 CB PHE A 18 -5.884 9.359 3.122 1.00 0.00 C ATOM 32 CG PHE A 18 -5.073 10.151 2.136 1.00 0.00 C ATOM 33 CD1 PHE A 18 -4.291 9.511 1.189 1.00 0.00 C ATOM 34 CD2 PHE A 18 -5.093 11.536 2.159 1.00 0.00 C ATOM 35 CE1 PHE A 18 -3.544 10.237 0.282 1.00 0.00 C ATOM 36 CE2 PHE A 18 -4.348 12.268 1.255 1.00 0.00 C ATOM 37 CZ PHE A 18 -3.573 11.618 0.316 1.00 0.00 C ATOM 0 H PHE A 18 -7.907 9.080 4.583 1.00 0.00 H new ATOM 0 HA PHE A 18 -7.526 9.592 1.756 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -6.016 9.949 4.029 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -5.328 8.464 3.402 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -4.265 8.432 1.159 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -5.698 12.049 2.892 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -2.939 9.726 -0.452 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -4.372 13.347 1.283 1.00 0.00 H new ATOM 0 HZ PHE A 18 -2.990 12.188 -0.392 1.00 0.00 H new ATOM 47 N LYS A 19 -6.803 7.322 0.847 1.00 0.00 N ATOM 48 CA LYS A 19 -6.715 5.990 0.262 1.00 0.00 C ATOM 49 C LYS A 19 -5.751 5.970 -0.919 1.00 0.00 C ATOM 50 O LYS A 19 -5.941 6.680 -1.905 1.00 0.00 O ATOM 51 CB LYS A 19 -8.099 5.518 -0.188 1.00 0.00 C ATOM 52 CG LYS A 19 -8.175 4.024 -0.455 1.00 0.00 C ATOM 53 CD LYS A 19 -9.614 3.561 -0.621 1.00 0.00 C ATOM 54 CE LYS A 19 -10.283 3.332 0.725 1.00 0.00 C ATOM 55 NZ LYS A 19 -11.757 3.168 0.591 1.00 0.00 N ATOM 0 H LYS A 19 -6.529 8.078 0.220 1.00 0.00 H new ATOM 0 HA LYS A 19 -6.334 5.312 1.026 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -8.830 5.779 0.578 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -8.380 6.055 -1.094 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -7.608 3.785 -1.355 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -7.710 3.482 0.368 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -10.175 4.306 -1.185 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -9.636 2.639 -1.201 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -9.860 2.444 1.194 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -10.070 4.173 1.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -12.176 3.014 1.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -12.165 4.025 0.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -11.961 2.350 -0.018 1.00 0.00 H new ATOM 69 N VAL A 20 -4.717 5.141 -0.812 1.00 0.00 N ATOM 70 CA VAL A 20 -3.723 5.017 -1.871 1.00 0.00 C ATOM 71 C VAL A 20 -3.368 3.554 -2.113 1.00 0.00 C ATOM 72 O VAL A 20 -3.309 2.756 -1.177 1.00 0.00 O ATOM 73 CB VAL A 20 -2.438 5.798 -1.537 1.00 0.00 C ATOM 74 CG1 VAL A 20 -2.638 7.285 -1.787 1.00 0.00 C ATOM 75 CG2 VAL A 20 -2.012 5.544 -0.100 1.00 0.00 C ATOM 0 H VAL A 20 -4.546 4.545 -0.002 1.00 0.00 H new ATOM 0 HA VAL A 20 -4.166 5.439 -2.773 1.00 0.00 H new ATOM 0 HB VAL A 20 -1.642 5.445 -2.192 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -1.720 7.821 -1.546 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -2.888 7.447 -2.835 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -3.449 7.654 -1.159 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.103 6.105 0.114 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.804 5.865 0.576 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.823 4.480 0.041 1.00 0.00 H new ATOM 85 N THR A 21 -3.141 3.206 -3.376 1.00 0.00 N ATOM 86 CA THR A 21 -2.799 1.835 -3.740 1.00 0.00 C ATOM 87 C THR A 21 -1.301 1.685 -3.979 1.00 0.00 C ATOM 88 O THR A 21 -0.747 2.281 -4.904 1.00 0.00 O ATOM 89 CB THR A 21 -3.572 1.411 -4.990 1.00 0.00 C ATOM 90 OG1 THR A 21 -4.954 1.678 -4.840 1.00 0.00 O ATOM 91 CG2 THR A 21 -3.420 -0.058 -5.317 1.00 0.00 C ATOM 0 H THR A 21 -3.188 3.853 -4.163 1.00 0.00 H new ATOM 0 HA THR A 21 -3.078 1.188 -2.909 1.00 0.00 H new ATOM 0 HB THR A 21 -3.145 1.994 -5.806 1.00 0.00 H new ATOM 0 HG1 THR A 21 -5.251 1.377 -3.956 1.00 0.00 H new ATOM 0 HG21 THR A 21 -3.993 -0.292 -6.214 1.00 0.00 H new ATOM 0 HG22 THR A 21 -2.368 -0.286 -5.489 1.00 0.00 H new ATOM 0 HG23 THR A 21 -3.789 -0.656 -4.484 1.00 0.00 H new ATOM 99 N VAL A 22 -0.652 0.880 -3.145 1.00 0.00 N ATOM 100 CA VAL A 22 0.780 0.643 -3.267 1.00 0.00 C ATOM 101 C VAL A 22 1.051 -0.658 -4.012 1.00 0.00 C ATOM 102 O VAL A 22 0.915 -1.747 -3.450 1.00 0.00 O ATOM 103 CB VAL A 22 1.461 0.583 -1.886 1.00 0.00 C ATOM 104 CG1 VAL A 22 2.973 0.531 -2.038 1.00 0.00 C ATOM 105 CG2 VAL A 22 1.042 1.769 -1.032 1.00 0.00 C ATOM 0 H VAL A 22 -1.097 0.380 -2.376 1.00 0.00 H new ATOM 0 HA VAL A 22 1.196 1.479 -3.829 1.00 0.00 H new ATOM 0 HB VAL A 22 1.140 -0.328 -1.382 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.437 0.489 -1.052 1.00 0.00 H new ATOM 0 HG12 VAL A 22 3.251 -0.356 -2.608 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.317 1.422 -2.563 1.00 0.00 H new ATOM 0 HG21 VAL A 22 1.533 1.709 -0.061 1.00 0.00 H new ATOM 0 HG22 VAL A 22 1.331 2.695 -1.529 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -0.039 1.754 -0.894 1.00 0.00 H new ATOM 115 N CYS A 23 1.426 -0.541 -5.281 1.00 0.00 N ATOM 116 CA CYS A 23 1.708 -1.711 -6.106 1.00 0.00 C ATOM 117 C CYS A 23 3.129 -2.217 -5.878 1.00 0.00 C ATOM 118 O CYS A 23 4.090 -1.652 -6.397 1.00 0.00 O ATOM 119 CB CYS A 23 1.505 -1.377 -7.584 1.00 0.00 C ATOM 120 SG CYS A 23 1.057 -2.799 -8.608 1.00 0.00 S ATOM 0 H CYS A 23 1.542 0.351 -5.761 1.00 0.00 H new ATOM 0 HA CYS A 23 1.014 -2.500 -5.817 1.00 0.00 H new ATOM 0 HB2 CYS A 23 0.725 -0.620 -7.671 1.00 0.00 H new ATOM 0 HB3 CYS A 23 2.422 -0.936 -7.975 1.00 0.00 H new ATOM 0 HG CYS A 23 0.905 -2.415 -9.841 1.00 0.00 H new ATOM 126 N PHE A 24 3.252 -3.289 -5.103 1.00 0.00 N ATOM 127 CA PHE A 24 4.554 -3.876 -4.812 1.00 0.00 C ATOM 128 C PHE A 24 4.969 -4.836 -5.921 1.00 0.00 C ATOM 129 O PHE A 24 4.534 -5.986 -5.953 1.00 0.00 O ATOM 130 CB PHE A 24 4.519 -4.617 -3.474 1.00 0.00 C ATOM 131 CG PHE A 24 4.697 -3.717 -2.286 1.00 0.00 C ATOM 132 CD1 PHE A 24 5.920 -3.116 -2.033 1.00 0.00 C ATOM 133 CD2 PHE A 24 3.644 -3.474 -1.419 1.00 0.00 C ATOM 134 CE1 PHE A 24 6.089 -2.289 -0.939 1.00 0.00 C ATOM 135 CE2 PHE A 24 3.805 -2.648 -0.325 1.00 0.00 C ATOM 136 CZ PHE A 24 5.029 -2.054 -0.083 1.00 0.00 C ATOM 0 H PHE A 24 2.466 -3.769 -4.665 1.00 0.00 H new ATOM 0 HA PHE A 24 5.284 -3.069 -4.752 1.00 0.00 H new ATOM 0 HB2 PHE A 24 3.568 -5.142 -3.383 1.00 0.00 H new ATOM 0 HB3 PHE A 24 5.303 -5.374 -3.467 1.00 0.00 H new ATOM 0 HD1 PHE A 24 6.751 -3.296 -2.699 1.00 0.00 H new ATOM 0 HD2 PHE A 24 2.685 -3.937 -1.601 1.00 0.00 H new ATOM 0 HE1 PHE A 24 7.047 -1.827 -0.753 1.00 0.00 H new ATOM 0 HE2 PHE A 24 2.975 -2.466 0.341 1.00 0.00 H new ATOM 0 HZ PHE A 24 5.157 -1.408 0.773 1.00 0.00 H new ATOM 146 N GLY A 25 5.812 -4.356 -6.830 1.00 0.00 N ATOM 147 CA GLY A 25 6.267 -5.186 -7.930 1.00 0.00 C ATOM 148 C GLY A 25 5.125 -5.646 -8.814 1.00 0.00 C ATOM 149 O GLY A 25 4.848 -5.041 -9.850 1.00 0.00 O ATOM 0 H GLY A 25 6.188 -3.408 -6.824 1.00 0.00 H new ATOM 0 HA2 GLY A 25 6.986 -4.628 -8.530 1.00 0.00 H new ATOM 0 HA3 GLY A 25 6.790 -6.056 -7.533 1.00 0.00 H new ATOM 153 N ARG A 26 4.457 -6.719 -8.403 1.00 0.00 N ATOM 154 CA ARG A 26 3.335 -7.261 -9.158 1.00 0.00 C ATOM 155 C ARG A 26 2.157 -7.562 -8.237 1.00 0.00 C ATOM 156 O ARG A 26 1.377 -8.480 -8.486 1.00 0.00 O ATOM 157 CB ARG A 26 3.759 -8.530 -9.903 1.00 0.00 C ATOM 158 CG ARG A 26 4.096 -8.291 -11.365 1.00 0.00 C ATOM 159 CD ARG A 26 3.918 -9.555 -12.191 1.00 0.00 C ATOM 160 NE ARG A 26 2.517 -9.793 -12.530 1.00 0.00 N ATOM 161 CZ ARG A 26 1.875 -9.165 -13.514 1.00 0.00 C ATOM 162 NH1 ARG A 26 2.503 -8.261 -14.255 1.00 0.00 N ATOM 163 NH2 ARG A 26 0.602 -9.443 -13.756 1.00 0.00 N ATOM 0 H ARG A 26 4.675 -7.231 -7.548 1.00 0.00 H new ATOM 0 HA ARG A 26 3.021 -6.513 -9.885 1.00 0.00 H new ATOM 0 HB2 ARG A 26 4.627 -8.962 -9.404 1.00 0.00 H new ATOM 0 HB3 ARG A 26 2.956 -9.265 -9.839 1.00 0.00 H new ATOM 0 HG2 ARG A 26 3.457 -7.502 -11.763 1.00 0.00 H new ATOM 0 HG3 ARG A 26 5.125 -7.941 -11.450 1.00 0.00 H new ATOM 0 HD2 ARG A 26 4.504 -9.476 -13.106 1.00 0.00 H new ATOM 0 HD3 ARG A 26 4.307 -10.409 -11.636 1.00 0.00 H new ATOM 0 HE ARG A 26 2.000 -10.480 -11.981 1.00 0.00 H new ATOM 0 HH11 ARG A 26 3.483 -8.044 -14.073 1.00 0.00 H new ATOM 0 HH12 ARG A 26 2.006 -7.784 -15.007 1.00 0.00 H new ATOM 0 HH21 ARG A 26 0.115 -10.137 -13.189 1.00 0.00 H new ATOM 0 HH22 ARG A 26 0.109 -8.963 -14.509 1.00 0.00 H new ATOM 177 N THR A 27 2.034 -6.777 -7.170 1.00 0.00 N ATOM 178 CA THR A 27 0.952 -6.956 -6.208 1.00 0.00 C ATOM 179 C THR A 27 0.392 -5.609 -5.763 1.00 0.00 C ATOM 180 O THR A 27 1.094 -4.806 -5.148 1.00 0.00 O ATOM 181 CB THR A 27 1.448 -7.745 -4.994 1.00 0.00 C ATOM 182 OG1 THR A 27 1.971 -8.999 -5.389 1.00 0.00 O ATOM 183 CG2 THR A 27 0.368 -8.001 -3.964 1.00 0.00 C ATOM 0 H THR A 27 2.671 -6.011 -6.950 1.00 0.00 H new ATOM 0 HA THR A 27 0.154 -7.516 -6.694 1.00 0.00 H new ATOM 0 HB THR A 27 2.219 -7.122 -4.541 1.00 0.00 H new ATOM 0 HG1 THR A 27 2.284 -9.487 -4.599 1.00 0.00 H new ATOM 0 HG21 THR A 27 0.787 -8.564 -3.130 1.00 0.00 H new ATOM 0 HG22 THR A 27 -0.021 -7.050 -3.600 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.440 -8.573 -4.419 1.00 0.00 H new ATOM 191 N ARG A 28 -0.877 -5.368 -6.077 1.00 0.00 N ATOM 192 CA ARG A 28 -1.531 -4.118 -5.708 1.00 0.00 C ATOM 193 C ARG A 28 -2.171 -4.225 -4.329 1.00 0.00 C ATOM 194 O ARG A 28 -3.035 -5.072 -4.098 1.00 0.00 O ATOM 195 CB ARG A 28 -2.592 -3.749 -6.749 1.00 0.00 C ATOM 196 CG ARG A 28 -3.526 -4.897 -7.097 1.00 0.00 C ATOM 197 CD ARG A 28 -4.984 -4.471 -7.037 1.00 0.00 C ATOM 198 NE ARG A 28 -5.840 -5.333 -7.847 1.00 0.00 N ATOM 199 CZ ARG A 28 -7.160 -5.422 -7.697 1.00 0.00 C ATOM 200 NH1 ARG A 28 -7.780 -4.705 -6.768 1.00 0.00 N ATOM 201 NH2 ARG A 28 -7.862 -6.232 -8.477 1.00 0.00 N ATOM 0 H ARG A 28 -1.472 -6.022 -6.586 1.00 0.00 H new ATOM 0 HA ARG A 28 -0.773 -3.335 -5.676 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -3.182 -2.912 -6.374 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -2.095 -3.407 -7.657 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -3.295 -5.264 -8.097 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -3.359 -5.724 -6.407 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -5.325 -4.491 -6.002 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -5.075 -3.441 -7.383 1.00 0.00 H new ATOM 0 HE ARG A 28 -5.400 -5.901 -8.571 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -7.245 -4.081 -6.164 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -8.791 -4.778 -6.658 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -7.391 -6.787 -9.192 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -8.873 -6.301 -8.362 1.00 0.00 H new ATOM 215 N VAL A 29 -1.744 -3.361 -3.414 1.00 0.00 N ATOM 216 CA VAL A 29 -2.276 -3.359 -2.057 1.00 0.00 C ATOM 217 C VAL A 29 -2.771 -1.971 -1.663 1.00 0.00 C ATOM 218 O VAL A 29 -1.993 -1.021 -1.589 1.00 0.00 O ATOM 219 CB VAL A 29 -1.218 -3.822 -1.038 1.00 0.00 C ATOM 220 CG1 VAL A 29 -1.843 -4.005 0.336 1.00 0.00 C ATOM 221 CG2 VAL A 29 -0.554 -5.108 -1.506 1.00 0.00 C ATOM 0 H VAL A 29 -1.031 -2.653 -3.588 1.00 0.00 H new ATOM 0 HA VAL A 29 -3.112 -4.058 -2.044 1.00 0.00 H new ATOM 0 HB VAL A 29 -0.451 -3.051 -0.962 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -1.080 -4.332 1.042 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -2.266 -3.058 0.672 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -2.631 -4.756 0.280 1.00 0.00 H new ATOM 0 HG21 VAL A 29 0.191 -5.420 -0.774 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.307 -5.888 -1.613 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -0.069 -4.938 -2.467 1.00 0.00 H new ATOM 231 N ASP A 30 -4.072 -1.864 -1.410 1.00 0.00 N ATOM 232 CA ASP A 30 -4.672 -0.591 -1.023 1.00 0.00 C ATOM 233 C ASP A 30 -4.332 -0.248 0.423 1.00 0.00 C ATOM 234 O ASP A 30 -4.160 -1.135 1.259 1.00 0.00 O ATOM 235 CB ASP A 30 -6.191 -0.646 -1.203 1.00 0.00 C ATOM 236 CG ASP A 30 -6.620 -0.271 -2.607 1.00 0.00 C ATOM 237 OD1 ASP A 30 -6.816 0.935 -2.867 1.00 0.00 O ATOM 238 OD2 ASP A 30 -6.760 -1.185 -3.449 1.00 0.00 O ATOM 0 H ASP A 30 -4.730 -2.641 -1.466 1.00 0.00 H new ATOM 0 HA ASP A 30 -4.264 0.187 -1.668 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -6.545 -1.651 -0.974 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -6.663 0.029 -0.489 1.00 0.00 H new ATOM 243 N VAL A 31 -4.237 1.047 0.713 1.00 0.00 N ATOM 244 CA VAL A 31 -3.915 1.505 2.059 1.00 0.00 C ATOM 245 C VAL A 31 -4.705 2.763 2.418 1.00 0.00 C ATOM 246 O VAL A 31 -4.304 3.875 2.075 1.00 0.00 O ATOM 247 CB VAL A 31 -2.412 1.800 2.209 1.00 0.00 C ATOM 248 CG1 VAL A 31 -2.061 2.063 3.665 1.00 0.00 C ATOM 249 CG2 VAL A 31 -1.583 0.650 1.653 1.00 0.00 C ATOM 0 H VAL A 31 -4.378 1.795 0.035 1.00 0.00 H new ATOM 0 HA VAL A 31 -4.190 0.699 2.739 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.179 2.697 1.635 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.994 2.270 3.751 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -2.627 2.922 4.026 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.310 1.187 4.263 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.523 0.877 1.768 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.819 -0.265 2.196 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.812 0.514 0.596 1.00 0.00 H new ATOM 259 N PRO A 32 -5.846 2.603 3.114 1.00 0.00 N ATOM 260 CA PRO A 32 -6.689 3.728 3.517 1.00 0.00 C ATOM 261 C PRO A 32 -6.175 4.415 4.779 1.00 0.00 C ATOM 262 O PRO A 32 -6.262 3.862 5.875 1.00 0.00 O ATOM 263 CB PRO A 32 -8.036 3.062 3.782 1.00 0.00 C ATOM 264 CG PRO A 32 -7.687 1.694 4.259 1.00 0.00 C ATOM 265 CD PRO A 32 -6.405 1.311 3.561 1.00 0.00 C ATOM 0 HA PRO A 32 -6.721 4.514 2.763 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -8.609 3.609 4.530 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -8.645 3.024 2.879 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -7.558 1.682 5.341 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -8.483 0.987 4.025 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -5.723 0.792 4.234 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -6.592 0.644 2.720 1.00 0.00 H new ATOM 273 N CYS A 33 -5.642 5.622 4.618 1.00 0.00 N ATOM 274 CA CYS A 33 -5.117 6.379 5.749 1.00 0.00 C ATOM 275 C CYS A 33 -6.247 7.043 6.528 1.00 0.00 C ATOM 276 O CYS A 33 -7.210 7.541 5.944 1.00 0.00 O ATOM 277 CB CYS A 33 -4.122 7.436 5.265 1.00 0.00 C ATOM 278 SG CYS A 33 -2.654 7.598 6.308 1.00 0.00 S ATOM 0 H CYS A 33 -5.562 6.096 3.718 1.00 0.00 H new ATOM 0 HA CYS A 33 -4.602 5.685 6.413 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -3.809 7.188 4.251 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -4.628 8.400 5.215 1.00 0.00 H new ATOM 0 HG CYS A 33 -1.872 8.513 5.817 1.00 0.00 H new ATOM 284 N GLY A 34 -6.122 7.045 7.853 1.00 0.00 N ATOM 285 CA GLY A 34 -7.138 7.647 8.696 1.00 0.00 C ATOM 286 C GLY A 34 -7.429 9.090 8.331 1.00 0.00 C ATOM 287 O GLY A 34 -8.576 9.452 8.074 1.00 0.00 O ATOM 0 H GLY A 34 -5.334 6.639 8.357 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -8.057 7.066 8.620 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -6.815 7.599 9.736 1.00 0.00 H new ATOM 291 N ASP A 35 -6.388 9.916 8.309 1.00 0.00 N ATOM 292 CA ASP A 35 -6.542 11.329 7.976 1.00 0.00 C ATOM 293 C ASP A 35 -5.704 11.697 6.756 1.00 0.00 C ATOM 294 O ASP A 35 -6.150 12.448 5.888 1.00 0.00 O ATOM 295 CB ASP A 35 -6.139 12.201 9.165 1.00 0.00 C ATOM 296 CG ASP A 35 -7.287 12.430 10.129 1.00 0.00 C ATOM 297 OD1 ASP A 35 -7.957 11.443 10.499 1.00 0.00 O ATOM 298 OD2 ASP A 35 -7.515 13.595 10.516 1.00 0.00 O ATOM 0 H ASP A 35 -5.430 9.633 8.517 1.00 0.00 H new ATOM 0 HA ASP A 35 -7.591 11.507 7.741 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -5.312 11.728 9.695 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -5.777 13.162 8.801 1.00 0.00 H new ATOM 303 N GLY A 36 -4.490 11.162 6.697 1.00 0.00 N ATOM 304 CA GLY A 36 -3.607 11.447 5.581 1.00 0.00 C ATOM 305 C GLY A 36 -2.350 12.184 6.004 1.00 0.00 C ATOM 306 O GLY A 36 -1.622 12.714 5.162 1.00 0.00 O ATOM 0 H GLY A 36 -4.101 10.536 7.402 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -3.329 10.512 5.095 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -4.142 12.044 4.842 1.00 0.00 H new ATOM 310 N ARG A 37 -2.090 12.219 7.308 1.00 0.00 N ATOM 311 CA ARG A 37 -0.909 12.896 7.833 1.00 0.00 C ATOM 312 C ARG A 37 0.206 11.895 8.115 1.00 0.00 C ATOM 313 O ARG A 37 1.025 12.099 9.011 1.00 0.00 O ATOM 314 CB ARG A 37 -1.261 13.664 9.109 1.00 0.00 C ATOM 315 CG ARG A 37 -1.653 15.111 8.858 1.00 0.00 C ATOM 316 CD ARG A 37 -1.820 15.876 10.161 1.00 0.00 C ATOM 317 NE ARG A 37 -3.195 15.827 10.653 1.00 0.00 N ATOM 318 CZ ARG A 37 -4.180 16.582 10.174 1.00 0.00 C ATOM 319 NH1 ARG A 37 -3.949 17.444 9.191 1.00 0.00 N ATOM 320 NH2 ARG A 37 -5.402 16.474 10.678 1.00 0.00 N ATOM 0 H ARG A 37 -2.680 11.787 8.019 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.557 13.602 7.081 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -2.082 13.156 9.614 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -0.407 13.640 9.786 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -0.892 15.595 8.246 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -2.585 15.144 8.293 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -1.151 15.460 10.914 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -1.525 16.915 10.012 1.00 0.00 H new ATOM 0 HE ARG A 37 -3.412 15.176 11.408 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -3.012 17.530 8.798 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -4.709 18.020 8.829 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -5.586 15.812 11.432 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -6.158 17.053 10.311 1.00 0.00 H new ATOM 334 N MET A 38 0.233 10.817 7.341 1.00 0.00 N ATOM 335 CA MET A 38 1.249 9.784 7.500 1.00 0.00 C ATOM 336 C MET A 38 2.318 9.911 6.425 1.00 0.00 C ATOM 337 O MET A 38 2.047 9.711 5.241 1.00 0.00 O ATOM 338 CB MET A 38 0.610 8.394 7.433 1.00 0.00 C ATOM 339 CG MET A 38 1.140 7.427 8.478 1.00 0.00 C ATOM 340 SD MET A 38 -0.169 6.471 9.269 1.00 0.00 S ATOM 341 CE MET A 38 -0.727 5.462 7.898 1.00 0.00 C ATOM 0 H MET A 38 -0.439 10.635 6.595 1.00 0.00 H new ATOM 0 HA MET A 38 1.716 9.915 8.476 1.00 0.00 H new ATOM 0 HB2 MET A 38 -0.468 8.493 7.557 1.00 0.00 H new ATOM 0 HB3 MET A 38 0.780 7.973 6.442 1.00 0.00 H new ATOM 0 HG2 MET A 38 1.850 6.745 8.009 1.00 0.00 H new ATOM 0 HG3 MET A 38 1.688 7.984 9.238 1.00 0.00 H new ATOM 0 HE1 MET A 38 -1.812 5.368 7.933 1.00 0.00 H new ATOM 0 HE2 MET A 38 -0.433 5.930 6.958 1.00 0.00 H new ATOM 0 HE3 MET A 38 -0.275 4.472 7.967 1.00 0.00 H new ATOM 351 N LYS A 39 3.537 10.239 6.840 1.00 0.00 N ATOM 352 CA LYS A 39 4.645 10.386 5.903 1.00 0.00 C ATOM 353 C LYS A 39 4.734 9.175 4.978 1.00 0.00 C ATOM 354 O LYS A 39 4.390 8.058 5.369 1.00 0.00 O ATOM 355 CB LYS A 39 5.963 10.562 6.662 1.00 0.00 C ATOM 356 CG LYS A 39 5.972 11.759 7.596 1.00 0.00 C ATOM 357 CD LYS A 39 7.387 12.242 7.870 1.00 0.00 C ATOM 358 CE LYS A 39 7.393 13.490 8.737 1.00 0.00 C ATOM 359 NZ LYS A 39 7.010 14.707 7.967 1.00 0.00 N ATOM 0 H LYS A 39 3.782 10.408 7.816 1.00 0.00 H new ATOM 0 HA LYS A 39 4.463 11.274 5.297 1.00 0.00 H new ATOM 0 HB2 LYS A 39 6.163 9.660 7.240 1.00 0.00 H new ATOM 0 HB3 LYS A 39 6.775 10.667 5.943 1.00 0.00 H new ATOM 0 HG2 LYS A 39 5.389 12.569 7.157 1.00 0.00 H new ATOM 0 HG3 LYS A 39 5.489 11.492 8.536 1.00 0.00 H new ATOM 0 HD2 LYS A 39 7.953 11.452 8.364 1.00 0.00 H new ATOM 0 HD3 LYS A 39 7.890 12.451 6.926 1.00 0.00 H new ATOM 0 HE2 LYS A 39 6.703 13.356 9.570 1.00 0.00 H new ATOM 0 HE3 LYS A 39 8.386 13.629 9.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 7.027 15.535 8.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 7.683 14.851 7.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 6.052 14.586 7.580 1.00 0.00 H new ATOM 373 N VAL A 40 5.195 9.401 3.752 1.00 0.00 N ATOM 374 CA VAL A 40 5.324 8.324 2.777 1.00 0.00 C ATOM 375 C VAL A 40 5.998 7.106 3.397 1.00 0.00 C ATOM 376 O VAL A 40 5.511 5.983 3.268 1.00 0.00 O ATOM 377 CB VAL A 40 6.129 8.770 1.540 1.00 0.00 C ATOM 378 CG1 VAL A 40 6.101 7.691 0.466 1.00 0.00 C ATOM 379 CG2 VAL A 40 5.594 10.089 1.000 1.00 0.00 C ATOM 0 H VAL A 40 5.485 10.318 3.411 1.00 0.00 H new ATOM 0 HA VAL A 40 4.314 8.061 2.462 1.00 0.00 H new ATOM 0 HB VAL A 40 7.166 8.923 1.840 1.00 0.00 H new ATOM 0 HG11 VAL A 40 6.674 8.024 -0.399 1.00 0.00 H new ATOM 0 HG12 VAL A 40 6.538 6.774 0.860 1.00 0.00 H new ATOM 0 HG13 VAL A 40 5.070 7.502 0.167 1.00 0.00 H new ATOM 0 HG21 VAL A 40 6.175 10.387 0.127 1.00 0.00 H new ATOM 0 HG22 VAL A 40 4.548 9.969 0.716 1.00 0.00 H new ATOM 0 HG23 VAL A 40 5.675 10.857 1.769 1.00 0.00 H new ATOM 389 N PHE A 41 7.117 7.341 4.082 1.00 0.00 N ATOM 390 CA PHE A 41 7.864 6.268 4.734 1.00 0.00 C ATOM 391 C PHE A 41 6.948 5.412 5.603 1.00 0.00 C ATOM 392 O PHE A 41 7.012 4.182 5.565 1.00 0.00 O ATOM 393 CB PHE A 41 8.994 6.857 5.585 1.00 0.00 C ATOM 394 CG PHE A 41 10.131 5.902 5.832 1.00 0.00 C ATOM 395 CD1 PHE A 41 9.904 4.661 6.406 1.00 0.00 C ATOM 396 CD2 PHE A 41 11.429 6.251 5.492 1.00 0.00 C ATOM 397 CE1 PHE A 41 10.951 3.785 6.630 1.00 0.00 C ATOM 398 CE2 PHE A 41 12.477 5.379 5.716 1.00 0.00 C ATOM 399 CZ PHE A 41 12.238 4.144 6.285 1.00 0.00 C ATOM 0 H PHE A 41 7.526 8.268 4.199 1.00 0.00 H new ATOM 0 HA PHE A 41 8.291 5.631 3.959 1.00 0.00 H new ATOM 0 HB2 PHE A 41 9.381 7.748 5.091 1.00 0.00 H new ATOM 0 HB3 PHE A 41 8.585 7.176 6.544 1.00 0.00 H new ATOM 0 HD1 PHE A 41 8.900 4.375 6.681 1.00 0.00 H new ATOM 0 HD2 PHE A 41 11.623 7.216 5.047 1.00 0.00 H new ATOM 0 HE1 PHE A 41 10.761 2.820 7.075 1.00 0.00 H new ATOM 0 HE2 PHE A 41 13.483 5.663 5.446 1.00 0.00 H new ATOM 0 HZ PHE A 41 13.056 3.461 6.460 1.00 0.00 H new ATOM 409 N SER A 42 6.091 6.067 6.376 1.00 0.00 N ATOM 410 CA SER A 42 5.160 5.359 7.245 1.00 0.00 C ATOM 411 C SER A 42 4.266 4.440 6.425 1.00 0.00 C ATOM 412 O SER A 42 4.012 3.297 6.806 1.00 0.00 O ATOM 413 CB SER A 42 4.309 6.352 8.037 1.00 0.00 C ATOM 414 OG SER A 42 3.499 5.684 8.989 1.00 0.00 O ATOM 0 H SER A 42 6.021 7.084 6.419 1.00 0.00 H new ATOM 0 HA SER A 42 5.734 4.754 7.947 1.00 0.00 H new ATOM 0 HB2 SER A 42 4.957 7.067 8.544 1.00 0.00 H new ATOM 0 HB3 SER A 42 3.679 6.921 7.354 1.00 0.00 H new ATOM 0 HG SER A 42 3.349 6.270 9.760 1.00 0.00 H new ATOM 420 N LEU A 43 3.799 4.946 5.289 1.00 0.00 N ATOM 421 CA LEU A 43 2.941 4.167 4.406 1.00 0.00 C ATOM 422 C LEU A 43 3.694 2.966 3.847 1.00 0.00 C ATOM 423 O LEU A 43 3.103 1.920 3.580 1.00 0.00 O ATOM 424 CB LEU A 43 2.423 5.040 3.261 1.00 0.00 C ATOM 425 CG LEU A 43 1.517 4.322 2.259 1.00 0.00 C ATOM 426 CD1 LEU A 43 0.056 4.662 2.517 1.00 0.00 C ATOM 427 CD2 LEU A 43 1.905 4.684 0.832 1.00 0.00 C ATOM 0 H LEU A 43 4.000 5.890 4.959 1.00 0.00 H new ATOM 0 HA LEU A 43 2.092 3.806 4.986 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.875 5.882 3.685 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.277 5.453 2.724 1.00 0.00 H new ATOM 0 HG LEU A 43 1.647 3.248 2.389 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.572 4.141 1.794 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.217 4.351 3.525 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.090 5.737 2.417 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.250 4.164 0.134 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.806 5.760 0.690 1.00 0.00 H new ATOM 0 HD23 LEU A 43 2.938 4.388 0.649 1.00 0.00 H new ATOM 439 N ILE A 44 5.005 3.120 3.674 1.00 0.00 N ATOM 440 CA ILE A 44 5.835 2.044 3.152 1.00 0.00 C ATOM 441 C ILE A 44 5.862 0.864 4.114 1.00 0.00 C ATOM 442 O ILE A 44 5.672 -0.282 3.712 1.00 0.00 O ATOM 443 CB ILE A 44 7.282 2.507 2.896 1.00 0.00 C ATOM 444 CG1 ILE A 44 7.288 3.836 2.134 1.00 0.00 C ATOM 445 CG2 ILE A 44 8.051 1.438 2.132 1.00 0.00 C ATOM 446 CD1 ILE A 44 8.654 4.243 1.622 1.00 0.00 C ATOM 0 H ILE A 44 5.512 3.979 3.888 1.00 0.00 H new ATOM 0 HA ILE A 44 5.390 1.740 2.204 1.00 0.00 H new ATOM 0 HB ILE A 44 7.777 2.663 3.855 1.00 0.00 H new ATOM 0 HG12 ILE A 44 6.601 3.763 1.291 1.00 0.00 H new ATOM 0 HG13 ILE A 44 6.907 4.620 2.788 1.00 0.00 H new ATOM 0 HG21 ILE A 44 9.072 1.778 1.958 1.00 0.00 H new ATOM 0 HG22 ILE A 44 8.070 0.517 2.715 1.00 0.00 H new ATOM 0 HG23 ILE A 44 7.563 1.252 1.175 1.00 0.00 H new ATOM 0 HD11 ILE A 44 8.576 5.193 1.094 1.00 0.00 H new ATOM 0 HD12 ILE A 44 9.340 4.350 2.462 1.00 0.00 H new ATOM 0 HD13 ILE A 44 9.030 3.479 0.941 1.00 0.00 H new ATOM 458 N GLN A 45 6.102 1.157 5.388 1.00 0.00 N ATOM 459 CA GLN A 45 6.156 0.119 6.411 1.00 0.00 C ATOM 460 C GLN A 45 4.823 -0.614 6.512 1.00 0.00 C ATOM 461 O GLN A 45 4.784 -1.843 6.581 1.00 0.00 O ATOM 462 CB GLN A 45 6.523 0.726 7.766 1.00 0.00 C ATOM 463 CG GLN A 45 6.801 -0.311 8.842 1.00 0.00 C ATOM 464 CD GLN A 45 6.758 0.273 10.240 1.00 0.00 C ATOM 465 OE1 GLN A 45 7.521 1.183 10.568 1.00 0.00 O ATOM 466 NE2 GLN A 45 5.863 -0.246 11.072 1.00 0.00 N ATOM 0 H GLN A 45 6.262 2.102 5.736 1.00 0.00 H new ATOM 0 HA GLN A 45 6.924 -0.599 6.124 1.00 0.00 H new ATOM 0 HB2 GLN A 45 7.403 1.357 7.645 1.00 0.00 H new ATOM 0 HB3 GLN A 45 5.710 1.372 8.097 1.00 0.00 H new ATOM 0 HG2 GLN A 45 6.068 -1.114 8.765 1.00 0.00 H new ATOM 0 HG3 GLN A 45 7.781 -0.756 8.668 1.00 0.00 H new ATOM 0 HE21 GLN A 45 5.251 -0.999 10.758 1.00 0.00 H new ATOM 0 HE22 GLN A 45 5.787 0.108 12.025 1.00 0.00 H new ATOM 475 N GLN A 46 3.735 0.144 6.514 1.00 0.00 N ATOM 476 CA GLN A 46 2.403 -0.442 6.600 1.00 0.00 C ATOM 477 C GLN A 46 2.100 -1.265 5.353 1.00 0.00 C ATOM 478 O GLN A 46 1.495 -2.335 5.432 1.00 0.00 O ATOM 479 CB GLN A 46 1.350 0.655 6.776 1.00 0.00 C ATOM 480 CG GLN A 46 0.960 0.896 8.225 1.00 0.00 C ATOM 481 CD GLN A 46 1.595 2.147 8.800 1.00 0.00 C ATOM 482 OE1 GLN A 46 0.901 3.086 9.190 1.00 0.00 O ATOM 483 NE2 GLN A 46 2.921 2.165 8.856 1.00 0.00 N ATOM 0 H GLN A 46 3.747 1.162 6.457 1.00 0.00 H new ATOM 0 HA GLN A 46 2.372 -1.101 7.468 1.00 0.00 H new ATOM 0 HB2 GLN A 46 1.731 1.584 6.351 1.00 0.00 H new ATOM 0 HB3 GLN A 46 0.459 0.386 6.208 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -0.125 0.978 8.297 1.00 0.00 H new ATOM 0 HG3 GLN A 46 1.255 0.035 8.825 1.00 0.00 H new ATOM 0 HE21 GLN A 46 3.457 1.364 8.521 1.00 0.00 H new ATOM 0 HE22 GLN A 46 3.404 2.980 9.234 1.00 0.00 H new ATOM 492 N ALA A 47 2.528 -0.756 4.204 1.00 0.00 N ATOM 493 CA ALA A 47 2.309 -1.438 2.935 1.00 0.00 C ATOM 494 C ALA A 47 3.201 -2.669 2.813 1.00 0.00 C ATOM 495 O ALA A 47 2.810 -3.675 2.222 1.00 0.00 O ATOM 496 CB ALA A 47 2.556 -0.483 1.776 1.00 0.00 C ATOM 0 H ALA A 47 3.030 0.129 4.125 1.00 0.00 H new ATOM 0 HA ALA A 47 1.272 -1.771 2.901 1.00 0.00 H new ATOM 0 HB1 ALA A 47 2.389 -1.004 0.833 1.00 0.00 H new ATOM 0 HB2 ALA A 47 1.872 0.363 1.849 1.00 0.00 H new ATOM 0 HB3 ALA A 47 3.584 -0.122 1.814 1.00 0.00 H new ATOM 502 N VAL A 48 4.405 -2.584 3.376 1.00 0.00 N ATOM 503 CA VAL A 48 5.346 -3.696 3.327 1.00 0.00 C ATOM 504 C VAL A 48 4.794 -4.905 4.081 1.00 0.00 C ATOM 505 O VAL A 48 4.859 -6.037 3.598 1.00 0.00 O ATOM 506 CB VAL A 48 6.733 -3.288 3.898 1.00 0.00 C ATOM 507 CG1 VAL A 48 6.943 -3.810 5.316 1.00 0.00 C ATOM 508 CG2 VAL A 48 7.846 -3.771 2.981 1.00 0.00 C ATOM 0 H VAL A 48 4.749 -1.760 3.869 1.00 0.00 H new ATOM 0 HA VAL A 48 5.480 -3.970 2.281 1.00 0.00 H new ATOM 0 HB VAL A 48 6.760 -2.199 3.946 1.00 0.00 H new ATOM 0 HG11 VAL A 48 7.925 -3.502 5.676 1.00 0.00 H new ATOM 0 HG12 VAL A 48 6.173 -3.404 5.971 1.00 0.00 H new ATOM 0 HG13 VAL A 48 6.882 -4.898 5.316 1.00 0.00 H new ATOM 0 HG21 VAL A 48 8.811 -3.478 3.394 1.00 0.00 H new ATOM 0 HG22 VAL A 48 7.802 -4.857 2.897 1.00 0.00 H new ATOM 0 HG23 VAL A 48 7.723 -3.325 1.994 1.00 0.00 H new ATOM 518 N THR A 49 4.245 -4.652 5.264 1.00 0.00 N ATOM 519 CA THR A 49 3.674 -5.711 6.085 1.00 0.00 C ATOM 520 C THR A 49 2.450 -6.313 5.406 1.00 0.00 C ATOM 521 O THR A 49 2.289 -7.533 5.361 1.00 0.00 O ATOM 522 CB THR A 49 3.293 -5.169 7.464 1.00 0.00 C ATOM 523 OG1 THR A 49 4.422 -4.607 8.111 1.00 0.00 O ATOM 524 CG2 THR A 49 2.714 -6.222 8.384 1.00 0.00 C ATOM 0 H THR A 49 4.184 -3.721 5.676 1.00 0.00 H new ATOM 0 HA THR A 49 4.425 -6.491 6.208 1.00 0.00 H new ATOM 0 HB THR A 49 2.528 -4.415 7.276 1.00 0.00 H new ATOM 0 HG1 THR A 49 4.629 -3.737 7.711 1.00 0.00 H new ATOM 0 HG21 THR A 49 2.466 -5.770 9.344 1.00 0.00 H new ATOM 0 HG22 THR A 49 1.813 -6.640 7.936 1.00 0.00 H new ATOM 0 HG23 THR A 49 3.446 -7.015 8.535 1.00 0.00 H new ATOM 532 N ARG A 50 1.592 -5.448 4.874 1.00 0.00 N ATOM 533 CA ARG A 50 0.385 -5.895 4.192 1.00 0.00 C ATOM 534 C ARG A 50 0.731 -6.684 2.934 1.00 0.00 C ATOM 535 O ARG A 50 -0.034 -7.545 2.500 1.00 0.00 O ATOM 536 CB ARG A 50 -0.494 -4.696 3.829 1.00 0.00 C ATOM 537 CG ARG A 50 -1.218 -4.089 5.020 1.00 0.00 C ATOM 538 CD ARG A 50 -2.603 -3.590 4.639 1.00 0.00 C ATOM 539 NE ARG A 50 -2.896 -2.285 5.225 1.00 0.00 N ATOM 540 CZ ARG A 50 -4.124 -1.781 5.334 1.00 0.00 C ATOM 541 NH1 ARG A 50 -5.173 -2.467 4.901 1.00 0.00 N ATOM 542 NH2 ARG A 50 -4.301 -0.585 5.879 1.00 0.00 N ATOM 0 H ARG A 50 1.711 -4.435 4.903 1.00 0.00 H new ATOM 0 HA ARG A 50 -0.164 -6.549 4.870 1.00 0.00 H new ATOM 0 HB2 ARG A 50 0.125 -3.930 3.362 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -1.230 -5.007 3.087 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -1.304 -4.833 5.812 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -0.631 -3.263 5.421 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -2.679 -3.525 3.554 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -3.351 -4.311 4.968 1.00 0.00 H new ATOM 0 HE ARG A 50 -2.115 -1.727 5.571 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -5.042 -3.387 4.481 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -6.110 -2.074 4.988 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -3.498 -0.053 6.214 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -5.241 -0.197 5.963 1.00 0.00 H new ATOM 556 N TYR A 51 1.890 -6.387 2.351 1.00 0.00 N ATOM 557 CA TYR A 51 2.334 -7.071 1.141 1.00 0.00 C ATOM 558 C TYR A 51 2.686 -8.528 1.438 1.00 0.00 C ATOM 559 O TYR A 51 2.124 -9.446 0.841 1.00 0.00 O ATOM 560 CB TYR A 51 3.545 -6.348 0.540 1.00 0.00 C ATOM 561 CG TYR A 51 4.264 -7.142 -0.529 1.00 0.00 C ATOM 562 CD1 TYR A 51 3.722 -7.285 -1.800 1.00 0.00 C ATOM 563 CD2 TYR A 51 5.484 -7.752 -0.263 1.00 0.00 C ATOM 564 CE1 TYR A 51 4.376 -8.013 -2.776 1.00 0.00 C ATOM 565 CE2 TYR A 51 6.144 -8.482 -1.233 1.00 0.00 C ATOM 566 CZ TYR A 51 5.586 -8.610 -2.488 1.00 0.00 C ATOM 567 OH TYR A 51 6.239 -9.338 -3.458 1.00 0.00 O ATOM 0 H TYR A 51 2.537 -5.678 2.697 1.00 0.00 H new ATOM 0 HA TYR A 51 1.517 -7.056 0.420 1.00 0.00 H new ATOM 0 HB2 TYR A 51 3.216 -5.400 0.115 1.00 0.00 H new ATOM 0 HB3 TYR A 51 4.248 -6.112 1.339 1.00 0.00 H new ATOM 0 HD1 TYR A 51 2.775 -6.820 -2.029 1.00 0.00 H new ATOM 0 HD2 TYR A 51 5.924 -7.654 0.719 1.00 0.00 H new ATOM 0 HE1 TYR A 51 3.942 -8.114 -3.760 1.00 0.00 H new ATOM 0 HE2 TYR A 51 7.092 -8.950 -1.010 1.00 0.00 H new ATOM 0 HH TYR A 51 7.126 -9.598 -3.131 1.00 0.00 H new ATOM 577 N ARG A 52 3.621 -8.732 2.361 1.00 0.00 N ATOM 578 CA ARG A 52 4.046 -10.077 2.730 1.00 0.00 C ATOM 579 C ARG A 52 2.874 -10.894 3.270 1.00 0.00 C ATOM 580 O ARG A 52 2.752 -12.085 2.987 1.00 0.00 O ATOM 581 CB ARG A 52 5.163 -10.014 3.773 1.00 0.00 C ATOM 582 CG ARG A 52 4.794 -9.220 5.015 1.00 0.00 C ATOM 583 CD ARG A 52 5.792 -9.447 6.139 1.00 0.00 C ATOM 584 NE ARG A 52 5.515 -8.600 7.296 1.00 0.00 N ATOM 585 CZ ARG A 52 6.353 -8.441 8.316 1.00 0.00 C ATOM 586 NH1 ARG A 52 7.522 -9.071 8.327 1.00 0.00 N ATOM 587 NH2 ARG A 52 6.025 -7.650 9.329 1.00 0.00 N ATOM 0 H ARG A 52 4.098 -7.985 2.866 1.00 0.00 H new ATOM 0 HA ARG A 52 4.423 -10.569 1.833 1.00 0.00 H new ATOM 0 HB2 ARG A 52 5.431 -11.029 4.067 1.00 0.00 H new ATOM 0 HB3 ARG A 52 6.048 -9.570 3.318 1.00 0.00 H new ATOM 0 HG2 ARG A 52 4.755 -8.158 4.771 1.00 0.00 H new ATOM 0 HG3 ARG A 52 3.797 -9.507 5.349 1.00 0.00 H new ATOM 0 HD2 ARG A 52 5.765 -10.494 6.441 1.00 0.00 H new ATOM 0 HD3 ARG A 52 6.800 -9.246 5.775 1.00 0.00 H new ATOM 0 HE ARG A 52 4.626 -8.101 7.323 1.00 0.00 H new ATOM 0 HH11 ARG A 52 7.780 -9.680 7.551 1.00 0.00 H new ATOM 0 HH12 ARG A 52 8.161 -8.946 9.112 1.00 0.00 H new ATOM 0 HH21 ARG A 52 5.129 -7.163 9.326 1.00 0.00 H new ATOM 0 HH22 ARG A 52 6.669 -7.529 10.111 1.00 0.00 H new ATOM 601 N LYS A 53 2.017 -10.245 4.052 1.00 0.00 N ATOM 602 CA LYS A 53 0.859 -10.912 4.634 1.00 0.00 C ATOM 603 C LYS A 53 -0.201 -11.200 3.573 1.00 0.00 C ATOM 604 O LYS A 53 -0.888 -12.220 3.630 1.00 0.00 O ATOM 605 CB LYS A 53 0.258 -10.055 5.751 1.00 0.00 C ATOM 606 CG LYS A 53 1.132 -9.971 6.989 1.00 0.00 C ATOM 607 CD LYS A 53 1.267 -11.325 7.672 1.00 0.00 C ATOM 608 CE LYS A 53 2.641 -11.933 7.439 1.00 0.00 C ATOM 609 NZ LYS A 53 2.625 -13.414 7.591 1.00 0.00 N ATOM 0 H LYS A 53 2.103 -9.259 4.297 1.00 0.00 H new ATOM 0 HA LYS A 53 1.194 -11.862 5.051 1.00 0.00 H new ATOM 0 HB2 LYS A 53 0.083 -9.048 5.371 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -0.713 -10.464 6.029 1.00 0.00 H new ATOM 0 HG2 LYS A 53 2.120 -9.602 6.713 1.00 0.00 H new ATOM 0 HG3 LYS A 53 0.706 -9.251 7.688 1.00 0.00 H new ATOM 0 HD2 LYS A 53 1.095 -11.212 8.742 1.00 0.00 H new ATOM 0 HD3 LYS A 53 0.500 -12.002 7.295 1.00 0.00 H new ATOM 0 HE2 LYS A 53 2.988 -11.674 6.438 1.00 0.00 H new ATOM 0 HE3 LYS A 53 3.353 -11.503 8.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 3.170 -13.682 8.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 1.643 -13.742 7.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 3.051 -13.854 6.750 1.00 0.00 H new ATOM 623 N ALA A 54 -0.332 -10.293 2.610 1.00 0.00 N ATOM 624 CA ALA A 54 -1.312 -10.450 1.542 1.00 0.00 C ATOM 625 C ALA A 54 -0.822 -11.422 0.475 1.00 0.00 C ATOM 626 O ALA A 54 -1.619 -12.099 -0.174 1.00 0.00 O ATOM 627 CB ALA A 54 -1.631 -9.100 0.919 1.00 0.00 C ATOM 0 H ALA A 54 0.228 -9.443 2.548 1.00 0.00 H new ATOM 0 HA ALA A 54 -2.220 -10.865 1.979 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -2.364 -9.231 0.123 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.037 -8.435 1.681 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -0.721 -8.666 0.506 1.00 0.00 H new ATOM 633 N VAL A 55 0.493 -11.486 0.295 1.00 0.00 N ATOM 634 CA VAL A 55 1.083 -12.376 -0.697 1.00 0.00 C ATOM 635 C VAL A 55 1.349 -13.768 -0.121 1.00 0.00 C ATOM 636 O VAL A 55 1.967 -14.609 -0.771 1.00 0.00 O ATOM 637 CB VAL A 55 2.401 -11.798 -1.255 1.00 0.00 C ATOM 638 CG1 VAL A 55 3.454 -11.703 -0.162 1.00 0.00 C ATOM 639 CG2 VAL A 55 2.902 -12.639 -2.419 1.00 0.00 C ATOM 0 H VAL A 55 1.169 -10.933 0.822 1.00 0.00 H new ATOM 0 HA VAL A 55 0.358 -12.463 -1.506 1.00 0.00 H new ATOM 0 HB VAL A 55 2.205 -10.790 -1.622 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.374 -11.293 -0.578 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.094 -11.052 0.634 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.649 -12.696 0.242 1.00 0.00 H new ATOM 0 HG21 VAL A 55 3.832 -12.216 -2.799 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.079 -13.660 -2.081 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.155 -12.644 -3.212 1.00 0.00 H new ATOM 649 N ALA A 56 0.873 -14.008 1.100 1.00 0.00 N ATOM 650 CA ALA A 56 1.059 -15.299 1.753 1.00 0.00 C ATOM 651 C ALA A 56 2.535 -15.587 2.007 1.00 0.00 C ATOM 652 O ALA A 56 2.979 -16.730 1.912 1.00 0.00 O ATOM 653 CB ALA A 56 0.441 -16.409 0.914 1.00 0.00 C ATOM 0 H ALA A 56 0.357 -13.325 1.655 1.00 0.00 H new ATOM 0 HA ALA A 56 0.555 -15.261 2.719 1.00 0.00 H new ATOM 0 HB1 ALA A 56 0.587 -17.367 1.413 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.626 -16.222 0.793 1.00 0.00 H new ATOM 0 HB3 ALA A 56 0.919 -16.434 -0.065 1.00 0.00 H new ATOM 659 N LYS A 57 3.291 -14.543 2.335 1.00 0.00 N ATOM 660 CA LYS A 57 4.716 -14.689 2.607 1.00 0.00 C ATOM 661 C LYS A 57 5.002 -14.540 4.098 1.00 0.00 C ATOM 662 O LYS A 57 4.084 -14.388 4.903 1.00 0.00 O ATOM 663 CB LYS A 57 5.520 -13.660 1.817 1.00 0.00 C ATOM 664 CG LYS A 57 5.889 -14.130 0.421 1.00 0.00 C ATOM 665 CD LYS A 57 6.475 -12.999 -0.402 1.00 0.00 C ATOM 666 CE LYS A 57 6.398 -13.295 -1.891 1.00 0.00 C ATOM 667 NZ LYS A 57 6.437 -12.050 -2.708 1.00 0.00 N ATOM 0 H LYS A 57 2.941 -13.589 2.419 1.00 0.00 H new ATOM 0 HA LYS A 57 5.018 -15.689 2.294 1.00 0.00 H new ATOM 0 HB2 LYS A 57 4.943 -12.738 1.742 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.431 -13.422 2.366 1.00 0.00 H new ATOM 0 HG2 LYS A 57 6.609 -14.946 0.488 1.00 0.00 H new ATOM 0 HG3 LYS A 57 5.004 -14.526 -0.078 1.00 0.00 H new ATOM 0 HD2 LYS A 57 5.939 -12.075 -0.186 1.00 0.00 H new ATOM 0 HD3 LYS A 57 7.514 -12.840 -0.115 1.00 0.00 H new ATOM 0 HE2 LYS A 57 7.228 -13.942 -2.176 1.00 0.00 H new ATOM 0 HE3 LYS A 57 5.479 -13.841 -2.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 6.131 -12.262 -3.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 5.800 -11.341 -2.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 7.407 -11.676 -2.725 1.00 0.00 H new ATOM 681 N ASP A 58 6.280 -14.585 4.457 1.00 0.00 N ATOM 682 CA ASP A 58 6.684 -14.454 5.852 1.00 0.00 C ATOM 683 C ASP A 58 7.932 -13.586 5.981 1.00 0.00 C ATOM 684 O ASP A 58 8.512 -13.164 4.980 1.00 0.00 O ATOM 685 CB ASP A 58 6.937 -15.836 6.460 1.00 0.00 C ATOM 686 CG ASP A 58 5.789 -16.303 7.333 1.00 0.00 C ATOM 687 OD1 ASP A 58 5.035 -15.441 7.834 1.00 0.00 O ATOM 688 OD2 ASP A 58 5.642 -17.529 7.517 1.00 0.00 O ATOM 0 H ASP A 58 7.053 -14.711 3.803 1.00 0.00 H new ATOM 0 HA ASP A 58 5.874 -13.968 6.397 1.00 0.00 H new ATOM 0 HB2 ASP A 58 7.098 -16.558 5.659 1.00 0.00 H new ATOM 0 HB3 ASP A 58 7.852 -15.807 7.052 1.00 0.00 H new ATOM 693 N PRO A 59 8.363 -13.303 7.224 1.00 0.00 N ATOM 694 CA PRO A 59 9.547 -12.477 7.489 1.00 0.00 C ATOM 695 C PRO A 59 10.845 -13.131 7.018 1.00 0.00 C ATOM 696 O PRO A 59 11.905 -12.505 7.042 1.00 0.00 O ATOM 697 CB PRO A 59 9.554 -12.323 9.018 1.00 0.00 C ATOM 698 CG PRO A 59 8.194 -12.741 9.467 1.00 0.00 C ATOM 699 CD PRO A 59 7.726 -13.758 8.468 1.00 0.00 C ATOM 0 HA PRO A 59 9.497 -11.530 6.951 1.00 0.00 H new ATOM 0 HB2 PRO A 59 10.325 -12.945 9.472 1.00 0.00 H new ATOM 0 HB3 PRO A 59 9.764 -11.293 9.308 1.00 0.00 H new ATOM 0 HG2 PRO A 59 8.227 -13.166 10.470 1.00 0.00 H new ATOM 0 HG3 PRO A 59 7.516 -11.889 9.504 1.00 0.00 H new ATOM 0 HD2 PRO A 59 8.040 -14.766 8.739 1.00 0.00 H new ATOM 0 HD3 PRO A 59 6.639 -13.774 8.385 1.00 0.00 H new ATOM 707 N ASN A 60 10.763 -14.391 6.594 1.00 0.00 N ATOM 708 CA ASN A 60 11.939 -15.119 6.125 1.00 0.00 C ATOM 709 C ASN A 60 12.714 -14.305 5.094 1.00 0.00 C ATOM 710 O ASN A 60 13.803 -13.806 5.371 1.00 0.00 O ATOM 711 CB ASN A 60 11.523 -16.465 5.525 1.00 0.00 C ATOM 712 CG ASN A 60 12.055 -17.641 6.321 1.00 0.00 C ATOM 713 OD1 ASN A 60 12.879 -18.416 5.832 1.00 0.00 O ATOM 714 ND2 ASN A 60 11.586 -17.781 7.555 1.00 0.00 N ATOM 0 H ASN A 60 9.896 -14.927 6.566 1.00 0.00 H new ATOM 0 HA ASN A 60 12.591 -15.295 6.981 1.00 0.00 H new ATOM 0 HB2 ASN A 60 10.435 -16.520 5.483 1.00 0.00 H new ATOM 0 HB3 ASN A 60 11.886 -16.530 4.499 1.00 0.00 H new ATOM 0 HD21 ASN A 60 11.907 -18.554 8.138 1.00 0.00 H new ATOM 0 HD22 ASN A 60 10.904 -17.116 7.920 1.00 0.00 H new ATOM 721 N TYR A 61 12.140 -14.177 3.905 1.00 0.00 N ATOM 722 CA TYR A 61 12.776 -13.422 2.830 1.00 0.00 C ATOM 723 C TYR A 61 12.895 -11.945 3.201 1.00 0.00 C ATOM 724 O TYR A 61 12.077 -11.419 3.954 1.00 0.00 O ATOM 725 CB TYR A 61 11.984 -13.590 1.527 1.00 0.00 C ATOM 726 CG TYR A 61 10.762 -12.703 1.419 1.00 0.00 C ATOM 727 CD1 TYR A 61 9.756 -12.747 2.378 1.00 0.00 C ATOM 728 CD2 TYR A 61 10.613 -11.823 0.354 1.00 0.00 C ATOM 729 CE1 TYR A 61 8.640 -11.939 2.278 1.00 0.00 C ATOM 730 CE2 TYR A 61 9.500 -11.011 0.248 1.00 0.00 C ATOM 731 CZ TYR A 61 8.516 -11.073 1.212 1.00 0.00 C ATOM 732 OH TYR A 61 7.406 -10.269 1.108 1.00 0.00 O ATOM 0 H TYR A 61 11.238 -14.584 3.660 1.00 0.00 H new ATOM 0 HA TYR A 61 13.782 -13.813 2.680 1.00 0.00 H new ATOM 0 HB2 TYR A 61 12.644 -13.382 0.685 1.00 0.00 H new ATOM 0 HB3 TYR A 61 11.672 -14.630 1.437 1.00 0.00 H new ATOM 0 HD1 TYR A 61 9.849 -13.424 3.215 1.00 0.00 H new ATOM 0 HD2 TYR A 61 11.381 -11.773 -0.404 1.00 0.00 H new ATOM 0 HE1 TYR A 61 7.868 -11.985 3.032 1.00 0.00 H new ATOM 0 HE2 TYR A 61 9.401 -10.331 -0.586 1.00 0.00 H new ATOM 0 HH TYR A 61 6.638 -10.718 1.519 1.00 0.00 H new ATOM 742 N TRP A 62 13.917 -11.284 2.667 1.00 0.00 N ATOM 743 CA TRP A 62 14.135 -9.870 2.947 1.00 0.00 C ATOM 744 C TRP A 62 13.276 -9.001 2.039 1.00 0.00 C ATOM 745 O TRP A 62 12.935 -9.403 0.925 1.00 0.00 O ATOM 746 CB TRP A 62 15.618 -9.513 2.773 1.00 0.00 C ATOM 747 CG TRP A 62 15.953 -8.937 1.427 1.00 0.00 C ATOM 748 CD1 TRP A 62 15.705 -9.502 0.209 1.00 0.00 C ATOM 749 CD2 TRP A 62 16.584 -7.679 1.161 1.00 0.00 C ATOM 750 NE1 TRP A 62 16.156 -8.682 -0.794 1.00 0.00 N ATOM 751 CE2 TRP A 62 16.697 -7.556 -0.237 1.00 0.00 C ATOM 752 CE3 TRP A 62 17.064 -6.647 1.970 1.00 0.00 C ATOM 753 CZ2 TRP A 62 17.275 -6.441 -0.841 1.00 0.00 C ATOM 754 CZ3 TRP A 62 17.634 -5.542 1.368 1.00 0.00 C ATOM 755 CH2 TRP A 62 17.735 -5.445 -0.025 1.00 0.00 C ATOM 0 H TRP A 62 14.604 -11.703 2.041 1.00 0.00 H new ATOM 0 HA TRP A 62 13.846 -9.679 3.981 1.00 0.00 H new ATOM 0 HB2 TRP A 62 15.902 -8.797 3.544 1.00 0.00 H new ATOM 0 HB3 TRP A 62 16.218 -10.409 2.933 1.00 0.00 H new ATOM 0 HD1 TRP A 62 15.223 -10.457 0.057 1.00 0.00 H new ATOM 0 HE1 TRP A 62 16.097 -8.880 -1.793 1.00 0.00 H new ATOM 0 HE3 TRP A 62 16.991 -6.711 3.046 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 17.357 -6.366 -1.915 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 18.009 -4.738 1.984 1.00 0.00 H new ATOM 0 HH2 TRP A 62 18.185 -4.567 -0.463 1.00 0.00 H new ATOM 766 N ILE A 63 12.944 -7.804 2.516 1.00 0.00 N ATOM 767 CA ILE A 63 12.140 -6.869 1.742 1.00 0.00 C ATOM 768 C ILE A 63 12.603 -5.435 1.964 1.00 0.00 C ATOM 769 O ILE A 63 12.418 -4.871 3.043 1.00 0.00 O ATOM 770 CB ILE A 63 10.646 -6.959 2.108 1.00 0.00 C ATOM 771 CG1 ILE A 63 10.181 -8.412 2.126 1.00 0.00 C ATOM 772 CG2 ILE A 63 9.813 -6.145 1.129 1.00 0.00 C ATOM 773 CD1 ILE A 63 8.871 -8.615 2.856 1.00 0.00 C ATOM 0 H ILE A 63 13.221 -7.461 3.436 1.00 0.00 H new ATOM 0 HA ILE A 63 12.270 -7.145 0.695 1.00 0.00 H new ATOM 0 HB ILE A 63 10.511 -6.546 3.108 1.00 0.00 H new ATOM 0 HG12 ILE A 63 10.075 -8.765 1.100 1.00 0.00 H new ATOM 0 HG13 ILE A 63 10.949 -9.026 2.596 1.00 0.00 H new ATOM 0 HG21 ILE A 63 8.760 -6.218 1.400 1.00 0.00 H new ATOM 0 HG22 ILE A 63 10.126 -5.101 1.165 1.00 0.00 H new ATOM 0 HG23 ILE A 63 9.956 -6.532 0.120 1.00 0.00 H new ATOM 0 HD11 ILE A 63 8.600 -9.670 2.830 1.00 0.00 H new ATOM 0 HD12 ILE A 63 8.978 -8.293 3.892 1.00 0.00 H new ATOM 0 HD13 ILE A 63 8.090 -8.028 2.372 1.00 0.00 H new ATOM 785 N GLN A 64 13.198 -4.844 0.935 1.00 0.00 N ATOM 786 CA GLN A 64 13.675 -3.470 1.013 1.00 0.00 C ATOM 787 C GLN A 64 12.882 -2.572 0.071 1.00 0.00 C ATOM 788 O GLN A 64 13.110 -2.568 -1.138 1.00 0.00 O ATOM 789 CB GLN A 64 15.161 -3.401 0.668 1.00 0.00 C ATOM 790 CG GLN A 64 15.861 -2.173 1.227 1.00 0.00 C ATOM 791 CD GLN A 64 16.583 -2.456 2.529 1.00 0.00 C ATOM 792 OE1 GLN A 64 17.812 -2.461 2.584 1.00 0.00 O ATOM 793 NE2 GLN A 64 15.818 -2.695 3.589 1.00 0.00 N ATOM 0 H GLN A 64 13.362 -5.296 0.035 1.00 0.00 H new ATOM 0 HA GLN A 64 13.532 -3.118 2.035 1.00 0.00 H new ATOM 0 HB2 GLN A 64 15.655 -4.295 1.048 1.00 0.00 H new ATOM 0 HB3 GLN A 64 15.274 -3.411 -0.416 1.00 0.00 H new ATOM 0 HG2 GLN A 64 16.576 -1.801 0.493 1.00 0.00 H new ATOM 0 HG3 GLN A 64 15.128 -1.383 1.387 1.00 0.00 H new ATOM 0 HE21 GLN A 64 14.802 -2.681 3.498 1.00 0.00 H new ATOM 0 HE22 GLN A 64 16.247 -2.893 4.493 1.00 0.00 H new ATOM 802 N VAL A 65 11.946 -1.816 0.634 1.00 0.00 N ATOM 803 CA VAL A 65 11.115 -0.919 -0.158 1.00 0.00 C ATOM 804 C VAL A 65 11.883 0.337 -0.553 1.00 0.00 C ATOM 805 O VAL A 65 11.996 1.280 0.232 1.00 0.00 O ATOM 806 CB VAL A 65 9.836 -0.508 0.598 1.00 0.00 C ATOM 807 CG1 VAL A 65 8.768 -0.037 -0.377 1.00 0.00 C ATOM 808 CG2 VAL A 65 9.315 -1.659 1.449 1.00 0.00 C ATOM 0 H VAL A 65 11.744 -1.807 1.634 1.00 0.00 H new ATOM 0 HA VAL A 65 10.832 -1.469 -1.055 1.00 0.00 H new ATOM 0 HB VAL A 65 10.085 0.319 1.263 1.00 0.00 H new ATOM 0 HG11 VAL A 65 7.872 0.249 0.175 1.00 0.00 H new ATOM 0 HG12 VAL A 65 9.139 0.822 -0.936 1.00 0.00 H new ATOM 0 HG13 VAL A 65 8.526 -0.844 -1.069 1.00 0.00 H new ATOM 0 HG21 VAL A 65 8.412 -1.345 1.973 1.00 0.00 H new ATOM 0 HG22 VAL A 65 9.085 -2.510 0.808 1.00 0.00 H new ATOM 0 HG23 VAL A 65 10.074 -1.947 2.176 1.00 0.00 H new ATOM 818 N HIS A 66 12.414 0.343 -1.774 1.00 0.00 N ATOM 819 CA HIS A 66 13.175 1.484 -2.273 1.00 0.00 C ATOM 820 C HIS A 66 12.388 2.782 -2.116 1.00 0.00 C ATOM 821 O HIS A 66 12.731 3.634 -1.297 1.00 0.00 O ATOM 822 CB HIS A 66 13.545 1.273 -3.742 1.00 0.00 C ATOM 823 CG HIS A 66 14.640 0.273 -3.946 1.00 0.00 C ATOM 824 ND1 HIS A 66 15.934 0.475 -3.513 1.00 0.00 N ATOM 825 CD2 HIS A 66 14.629 -0.944 -4.539 1.00 0.00 C ATOM 826 CE1 HIS A 66 16.670 -0.574 -3.833 1.00 0.00 C ATOM 827 NE2 HIS A 66 15.903 -1.450 -4.455 1.00 0.00 N ATOM 0 H HIS A 66 12.331 -0.429 -2.435 1.00 0.00 H new ATOM 0 HA HIS A 66 14.087 1.563 -1.682 1.00 0.00 H new ATOM 0 HB2 HIS A 66 12.660 0.947 -4.288 1.00 0.00 H new ATOM 0 HB3 HIS A 66 13.851 2.227 -4.172 1.00 0.00 H new ATOM 0 HD2 HIS A 66 13.777 -1.427 -4.994 1.00 0.00 H new ATOM 0 HE1 HIS A 66 17.722 -0.695 -3.621 1.00 0.00 H new ATOM 0 HE2 HIS A 66 16.207 -2.355 -4.815 1.00 0.00 H new ATOM 836 N ARG A 67 11.334 2.923 -2.909 1.00 0.00 N ATOM 837 CA ARG A 67 10.497 4.116 -2.862 1.00 0.00 C ATOM 838 C ARG A 67 9.179 3.885 -3.592 1.00 0.00 C ATOM 839 O ARG A 67 8.897 2.778 -4.052 1.00 0.00 O ATOM 840 CB ARG A 67 11.232 5.307 -3.478 1.00 0.00 C ATOM 841 CG ARG A 67 11.594 5.107 -4.943 1.00 0.00 C ATOM 842 CD ARG A 67 10.606 5.808 -5.862 1.00 0.00 C ATOM 843 NE ARG A 67 11.270 6.422 -7.010 1.00 0.00 N ATOM 844 CZ ARG A 67 11.660 5.747 -8.089 1.00 0.00 C ATOM 845 NH1 ARG A 67 11.456 4.437 -8.171 1.00 0.00 N ATOM 846 NH2 ARG A 67 12.254 6.382 -9.089 1.00 0.00 N ATOM 0 H ARG A 67 11.038 2.226 -3.593 1.00 0.00 H new ATOM 0 HA ARG A 67 10.280 4.334 -1.816 1.00 0.00 H new ATOM 0 HB2 ARG A 67 10.609 6.196 -3.384 1.00 0.00 H new ATOM 0 HB3 ARG A 67 12.143 5.495 -2.910 1.00 0.00 H new ATOM 0 HG2 ARG A 67 12.598 5.490 -5.126 1.00 0.00 H new ATOM 0 HG3 ARG A 67 11.613 4.042 -5.172 1.00 0.00 H new ATOM 0 HD2 ARG A 67 9.864 5.090 -6.213 1.00 0.00 H new ATOM 0 HD3 ARG A 67 10.069 6.573 -5.301 1.00 0.00 H new ATOM 0 HE ARG A 67 11.445 7.427 -6.983 1.00 0.00 H new ATOM 0 HH11 ARG A 67 10.998 3.943 -7.405 1.00 0.00 H new ATOM 0 HH12 ARG A 67 11.757 3.925 -9.000 1.00 0.00 H new ATOM 0 HH21 ARG A 67 12.412 7.388 -9.032 1.00 0.00 H new ATOM 0 HH22 ARG A 67 12.553 5.865 -9.916 1.00 0.00 H new ATOM 860 N LEU A 68 8.371 4.937 -3.694 1.00 0.00 N ATOM 861 CA LEU A 68 7.081 4.847 -4.367 1.00 0.00 C ATOM 862 C LEU A 68 6.941 5.934 -5.428 1.00 0.00 C ATOM 863 O LEU A 68 7.663 6.930 -5.410 1.00 0.00 O ATOM 864 CB LEU A 68 5.943 4.961 -3.350 1.00 0.00 C ATOM 865 CG LEU A 68 6.104 4.097 -2.099 1.00 0.00 C ATOM 866 CD1 LEU A 68 5.064 4.473 -1.054 1.00 0.00 C ATOM 867 CD2 LEU A 68 5.998 2.622 -2.453 1.00 0.00 C ATOM 0 H LEU A 68 8.588 5.861 -3.319 1.00 0.00 H new ATOM 0 HA LEU A 68 7.024 3.876 -4.859 1.00 0.00 H new ATOM 0 HB2 LEU A 68 5.853 6.003 -3.044 1.00 0.00 H new ATOM 0 HB3 LEU A 68 5.008 4.691 -3.842 1.00 0.00 H new ATOM 0 HG LEU A 68 7.093 4.279 -1.679 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.194 3.848 -0.170 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.187 5.520 -0.779 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.065 4.320 -1.463 1.00 0.00 H new ATOM 0 HD21 LEU A 68 6.115 2.022 -1.551 1.00 0.00 H new ATOM 0 HD22 LEU A 68 5.022 2.424 -2.897 1.00 0.00 H new ATOM 0 HD23 LEU A 68 6.781 2.362 -3.166 1.00 0.00 H new ATOM 879 N GLU A 69 6.005 5.734 -6.352 1.00 0.00 N ATOM 880 CA GLU A 69 5.769 6.697 -7.422 1.00 0.00 C ATOM 881 C GLU A 69 4.282 6.785 -7.753 1.00 0.00 C ATOM 882 O GLU A 69 3.511 5.878 -7.441 1.00 0.00 O ATOM 883 CB GLU A 69 6.556 6.303 -8.673 1.00 0.00 C ATOM 884 CG GLU A 69 6.494 7.338 -9.784 1.00 0.00 C ATOM 885 CD GLU A 69 7.553 7.118 -10.845 1.00 0.00 C ATOM 886 OE1 GLU A 69 8.615 6.550 -10.515 1.00 0.00 O ATOM 887 OE2 GLU A 69 7.322 7.515 -12.007 1.00 0.00 O ATOM 0 H GLU A 69 5.399 4.914 -6.381 1.00 0.00 H new ATOM 0 HA GLU A 69 6.108 7.675 -7.080 1.00 0.00 H new ATOM 0 HB2 GLU A 69 7.598 6.139 -8.399 1.00 0.00 H new ATOM 0 HB3 GLU A 69 6.172 5.355 -9.050 1.00 0.00 H new ATOM 0 HG2 GLU A 69 5.508 7.309 -10.248 1.00 0.00 H new ATOM 0 HG3 GLU A 69 6.615 8.333 -9.356 1.00 0.00 H new ATOM 894 N HIS A 70 3.885 7.886 -8.384 1.00 0.00 N ATOM 895 CA HIS A 70 2.491 8.094 -8.756 1.00 0.00 C ATOM 896 C HIS A 70 2.132 7.289 -10.001 1.00 0.00 C ATOM 897 O HIS A 70 1.137 6.565 -10.020 1.00 0.00 O ATOM 898 CB HIS A 70 2.223 9.582 -9.001 1.00 0.00 C ATOM 899 CG HIS A 70 1.695 10.300 -7.797 1.00 0.00 C ATOM 900 ND1 HIS A 70 0.419 10.113 -7.308 1.00 0.00 N ATOM 901 CD2 HIS A 70 2.279 11.211 -6.982 1.00 0.00 C ATOM 902 CE1 HIS A 70 0.242 10.877 -6.245 1.00 0.00 C ATOM 903 NE2 HIS A 70 1.354 11.553 -6.028 1.00 0.00 N ATOM 0 H HIS A 70 4.510 8.648 -8.648 1.00 0.00 H new ATOM 0 HA HIS A 70 1.867 7.750 -7.932 1.00 0.00 H new ATOM 0 HB2 HIS A 70 3.147 10.061 -9.324 1.00 0.00 H new ATOM 0 HB3 HIS A 70 1.509 9.685 -9.818 1.00 0.00 H new ATOM 0 HD1 HIS A 70 -0.279 9.484 -7.705 1.00 0.00 H new ATOM 0 HD2 HIS A 70 3.284 11.596 -7.067 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -0.660 10.938 -5.654 1.00 0.00 H new ATOM 0 HE2 HIS A 70 1.502 12.222 -5.273 1.00 0.00 H new ATOM 912 N GLY A 71 2.951 7.421 -11.041 1.00 0.00 N ATOM 913 CA GLY A 71 2.704 6.699 -12.275 1.00 0.00 C ATOM 914 C GLY A 71 3.340 7.370 -13.476 1.00 0.00 C ATOM 915 O GLY A 71 4.478 7.068 -13.834 1.00 0.00 O ATOM 0 H GLY A 71 3.780 8.015 -11.050 1.00 0.00 H new ATOM 0 HA2 GLY A 71 3.091 5.684 -12.182 1.00 0.00 H new ATOM 0 HA3 GLY A 71 1.629 6.617 -12.435 1.00 0.00 H new ATOM 919 N ASP A 72 2.604 8.284 -14.100 1.00 0.00 N ATOM 920 CA ASP A 72 3.101 8.999 -15.269 1.00 0.00 C ATOM 921 C ASP A 72 3.689 10.350 -14.870 1.00 0.00 C ATOM 922 O ASP A 72 3.479 11.355 -15.550 1.00 0.00 O ATOM 923 CB ASP A 72 1.979 9.198 -16.289 1.00 0.00 C ATOM 924 CG ASP A 72 0.731 9.793 -15.668 1.00 0.00 C ATOM 925 OD1 ASP A 72 0.126 9.130 -14.798 1.00 0.00 O ATOM 926 OD2 ASP A 72 0.359 10.922 -16.050 1.00 0.00 O ATOM 0 H ASP A 72 1.661 8.547 -13.815 1.00 0.00 H new ATOM 0 HA ASP A 72 3.890 8.399 -15.723 1.00 0.00 H new ATOM 0 HB2 ASP A 72 2.330 9.851 -17.088 1.00 0.00 H new ATOM 0 HB3 ASP A 72 1.733 8.239 -16.745 1.00 0.00 H new ATOM 931 N GLY A 73 4.426 10.367 -13.764 1.00 0.00 N ATOM 932 CA GLY A 73 5.031 11.600 -13.294 1.00 0.00 C ATOM 933 C GLY A 73 4.564 11.982 -11.904 1.00 0.00 C ATOM 934 O GLY A 73 3.492 12.564 -11.741 1.00 0.00 O ATOM 0 H GLY A 73 4.615 9.549 -13.185 1.00 0.00 H new ATOM 0 HA2 GLY A 73 6.116 11.491 -13.292 1.00 0.00 H new ATOM 0 HA3 GLY A 73 4.792 12.406 -13.988 1.00 0.00 H new ATOM 938 N GLY A 74 5.370 11.654 -10.899 1.00 0.00 N ATOM 939 CA GLY A 74 5.014 11.976 -9.529 1.00 0.00 C ATOM 940 C GLY A 74 5.680 11.054 -8.526 1.00 0.00 C ATOM 941 O GLY A 74 5.005 10.336 -7.789 1.00 0.00 O ATOM 0 H GLY A 74 6.262 11.172 -11.009 1.00 0.00 H new ATOM 0 HA2 GLY A 74 5.298 13.006 -9.315 1.00 0.00 H new ATOM 0 HA3 GLY A 74 3.932 11.913 -9.413 1.00 0.00 H new ATOM 945 N ILE A 75 7.009 11.075 -8.497 1.00 0.00 N ATOM 946 CA ILE A 75 7.768 10.235 -7.576 1.00 0.00 C ATOM 947 C ILE A 75 7.347 10.487 -6.132 1.00 0.00 C ATOM 948 O ILE A 75 6.793 11.539 -5.811 1.00 0.00 O ATOM 949 CB ILE A 75 9.284 10.481 -7.708 1.00 0.00 C ATOM 950 CG1 ILE A 75 9.709 10.414 -9.177 1.00 0.00 C ATOM 951 CG2 ILE A 75 10.057 9.469 -6.874 1.00 0.00 C ATOM 952 CD1 ILE A 75 11.208 10.482 -9.384 1.00 0.00 C ATOM 0 H ILE A 75 7.583 11.664 -9.100 1.00 0.00 H new ATOM 0 HA ILE A 75 7.553 9.200 -7.841 1.00 0.00 H new ATOM 0 HB ILE A 75 9.512 11.479 -7.333 1.00 0.00 H new ATOM 0 HG12 ILE A 75 9.333 9.488 -9.612 1.00 0.00 H new ATOM 0 HG13 ILE A 75 9.239 11.235 -9.719 1.00 0.00 H new ATOM 0 HG21 ILE A 75 11.126 9.654 -6.976 1.00 0.00 H new ATOM 0 HG22 ILE A 75 9.771 9.566 -5.827 1.00 0.00 H new ATOM 0 HG23 ILE A 75 9.828 8.461 -7.221 1.00 0.00 H new ATOM 0 HD11 ILE A 75 11.431 10.429 -10.450 1.00 0.00 H new ATOM 0 HD12 ILE A 75 11.589 11.420 -8.980 1.00 0.00 H new ATOM 0 HD13 ILE A 75 11.684 9.646 -8.872 1.00 0.00 H new ATOM 964 N LEU A 76 7.610 9.515 -5.265 1.00 0.00 N ATOM 965 CA LEU A 76 7.256 9.632 -3.856 1.00 0.00 C ATOM 966 C LEU A 76 8.394 9.154 -2.963 1.00 0.00 C ATOM 967 O LEU A 76 8.649 7.954 -2.852 1.00 0.00 O ATOM 968 CB LEU A 76 5.988 8.829 -3.559 1.00 0.00 C ATOM 969 CG LEU A 76 4.710 9.382 -4.196 1.00 0.00 C ATOM 970 CD1 LEU A 76 3.869 8.254 -4.775 1.00 0.00 C ATOM 971 CD2 LEU A 76 3.910 10.180 -3.180 1.00 0.00 C ATOM 0 H LEU A 76 8.067 8.638 -5.514 1.00 0.00 H new ATOM 0 HA LEU A 76 7.071 10.685 -3.642 1.00 0.00 H new ATOM 0 HB2 LEU A 76 6.135 7.805 -3.904 1.00 0.00 H new ATOM 0 HB3 LEU A 76 5.848 8.785 -2.479 1.00 0.00 H new ATOM 0 HG LEU A 76 4.993 10.050 -5.010 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.965 8.667 -5.223 1.00 0.00 H new ATOM 0 HD12 LEU A 76 4.443 7.726 -5.537 1.00 0.00 H new ATOM 0 HD13 LEU A 76 3.595 7.560 -3.981 1.00 0.00 H new ATOM 0 HD21 LEU A 76 3.005 10.565 -3.651 1.00 0.00 H new ATOM 0 HD22 LEU A 76 3.638 9.536 -2.344 1.00 0.00 H new ATOM 0 HD23 LEU A 76 4.512 11.012 -2.816 1.00 0.00 H new ATOM 983 N ASP A 77 9.073 10.100 -2.322 1.00 0.00 N ATOM 984 CA ASP A 77 10.182 9.776 -1.434 1.00 0.00 C ATOM 985 C ASP A 77 9.662 9.306 -0.077 1.00 0.00 C ATOM 986 O ASP A 77 8.486 8.978 0.064 1.00 0.00 O ATOM 987 CB ASP A 77 11.091 10.994 -1.255 1.00 0.00 C ATOM 988 CG ASP A 77 12.561 10.619 -1.229 1.00 0.00 C ATOM 989 OD1 ASP A 77 13.054 10.225 -0.152 1.00 0.00 O ATOM 990 OD2 ASP A 77 13.217 10.719 -2.287 1.00 0.00 O ATOM 0 H ASP A 77 8.874 11.097 -2.402 1.00 0.00 H new ATOM 0 HA ASP A 77 10.759 8.968 -1.884 1.00 0.00 H new ATOM 0 HB2 ASP A 77 10.913 11.699 -2.067 1.00 0.00 H new ATOM 0 HB3 ASP A 77 10.832 11.504 -0.327 1.00 0.00 H new ATOM 995 N LEU A 78 10.545 9.276 0.916 1.00 0.00 N ATOM 996 CA LEU A 78 10.170 8.844 2.257 1.00 0.00 C ATOM 997 C LEU A 78 10.314 9.989 3.255 1.00 0.00 C ATOM 998 O LEU A 78 11.251 10.017 4.054 1.00 0.00 O ATOM 999 CB LEU A 78 11.032 7.656 2.695 1.00 0.00 C ATOM 1000 CG LEU A 78 11.564 6.779 1.558 1.00 0.00 C ATOM 1001 CD1 LEU A 78 12.818 7.394 0.956 1.00 0.00 C ATOM 1002 CD2 LEU A 78 11.845 5.368 2.059 1.00 0.00 C ATOM 0 H LEU A 78 11.524 9.545 0.817 1.00 0.00 H new ATOM 0 HA LEU A 78 9.125 8.534 2.234 1.00 0.00 H new ATOM 0 HB2 LEU A 78 11.879 8.034 3.267 1.00 0.00 H new ATOM 0 HB3 LEU A 78 10.446 7.032 3.369 1.00 0.00 H new ATOM 0 HG LEU A 78 10.802 6.720 0.780 1.00 0.00 H new ATOM 0 HD11 LEU A 78 13.184 6.759 0.149 1.00 0.00 H new ATOM 0 HD12 LEU A 78 12.585 8.383 0.562 1.00 0.00 H new ATOM 0 HD13 LEU A 78 13.585 7.482 1.725 1.00 0.00 H new ATOM 0 HD21 LEU A 78 12.222 4.759 1.238 1.00 0.00 H new ATOM 0 HD22 LEU A 78 12.589 5.406 2.854 1.00 0.00 H new ATOM 0 HD23 LEU A 78 10.925 4.929 2.444 1.00 0.00 H new ATOM 1014 N ASP A 79 9.382 10.935 3.204 1.00 0.00 N ATOM 1015 CA ASP A 79 9.406 12.083 4.102 1.00 0.00 C ATOM 1016 C ASP A 79 8.169 12.956 3.911 1.00 0.00 C ATOM 1017 O ASP A 79 7.461 13.265 4.869 1.00 0.00 O ATOM 1018 CB ASP A 79 10.672 12.911 3.869 1.00 0.00 C ATOM 1019 CG ASP A 79 11.357 13.299 5.166 1.00 0.00 C ATOM 1020 OD1 ASP A 79 11.943 12.409 5.817 1.00 0.00 O ATOM 1021 OD2 ASP A 79 11.307 14.492 5.530 1.00 0.00 O ATOM 0 H ASP A 79 8.600 10.929 2.549 1.00 0.00 H new ATOM 0 HA ASP A 79 9.406 11.710 5.126 1.00 0.00 H new ATOM 0 HB2 ASP A 79 11.366 12.342 3.251 1.00 0.00 H new ATOM 0 HB3 ASP A 79 10.416 13.813 3.313 1.00 0.00 H new ATOM 1026 N ASP A 80 7.914 13.352 2.667 1.00 0.00 N ATOM 1027 CA ASP A 80 6.764 14.190 2.349 1.00 0.00 C ATOM 1028 C ASP A 80 5.464 13.527 2.793 1.00 0.00 C ATOM 1029 O ASP A 80 5.208 12.365 2.476 1.00 0.00 O ATOM 1030 CB ASP A 80 6.717 14.477 0.846 1.00 0.00 C ATOM 1031 CG ASP A 80 7.444 15.754 0.478 1.00 0.00 C ATOM 1032 OD1 ASP A 80 8.692 15.734 0.433 1.00 0.00 O ATOM 1033 OD2 ASP A 80 6.767 16.774 0.234 1.00 0.00 O ATOM 0 H ASP A 80 8.490 13.105 1.862 1.00 0.00 H new ATOM 0 HA ASP A 80 6.872 15.130 2.890 1.00 0.00 H new ATOM 0 HB2 ASP A 80 7.161 13.641 0.305 1.00 0.00 H new ATOM 0 HB3 ASP A 80 5.678 14.549 0.525 1.00 0.00 H new ATOM 1038 N ILE A 81 4.645 14.272 3.532 1.00 0.00 N ATOM 1039 CA ILE A 81 3.374 13.757 4.022 1.00 0.00 C ATOM 1040 C ILE A 81 2.517 13.208 2.885 1.00 0.00 C ATOM 1041 O ILE A 81 2.641 13.631 1.736 1.00 0.00 O ATOM 1042 CB ILE A 81 2.598 14.850 4.781 1.00 0.00 C ATOM 1043 CG1 ILE A 81 3.270 15.105 6.129 1.00 0.00 C ATOM 1044 CG2 ILE A 81 1.137 14.457 4.978 1.00 0.00 C ATOM 1045 CD1 ILE A 81 3.092 13.966 7.109 1.00 0.00 C ATOM 0 H ILE A 81 4.842 15.235 3.804 1.00 0.00 H new ATOM 0 HA ILE A 81 3.598 12.939 4.707 1.00 0.00 H new ATOM 0 HB ILE A 81 2.614 15.765 4.188 1.00 0.00 H new ATOM 0 HG12 ILE A 81 4.335 15.276 5.970 1.00 0.00 H new ATOM 0 HG13 ILE A 81 2.862 16.017 6.564 1.00 0.00 H new ATOM 0 HG21 ILE A 81 0.617 15.249 5.517 1.00 0.00 H new ATOM 0 HG22 ILE A 81 0.666 14.309 4.006 1.00 0.00 H new ATOM 0 HG23 ILE A 81 1.083 13.532 5.552 1.00 0.00 H new ATOM 0 HD11 ILE A 81 3.593 14.210 8.046 1.00 0.00 H new ATOM 0 HD12 ILE A 81 2.030 13.809 7.296 1.00 0.00 H new ATOM 0 HD13 ILE A 81 3.525 13.057 6.693 1.00 0.00 H new ATOM 1057 N LEU A 82 1.654 12.256 3.221 1.00 0.00 N ATOM 1058 CA LEU A 82 0.779 11.633 2.238 1.00 0.00 C ATOM 1059 C LEU A 82 -0.151 12.657 1.593 1.00 0.00 C ATOM 1060 O LEU A 82 -0.221 12.761 0.370 1.00 0.00 O ATOM 1061 CB LEU A 82 -0.042 10.517 2.888 1.00 0.00 C ATOM 1062 CG LEU A 82 -0.179 9.245 2.052 1.00 0.00 C ATOM 1063 CD1 LEU A 82 1.150 8.507 1.982 1.00 0.00 C ATOM 1064 CD2 LEU A 82 -1.262 8.345 2.628 1.00 0.00 C ATOM 0 H LEU A 82 1.542 11.899 4.170 1.00 0.00 H new ATOM 0 HA LEU A 82 1.408 11.207 1.456 1.00 0.00 H new ATOM 0 HB2 LEU A 82 0.416 10.259 3.843 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -1.039 10.900 3.106 1.00 0.00 H new ATOM 0 HG LEU A 82 -0.468 9.526 1.039 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.034 7.604 1.383 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.901 9.152 1.525 1.00 0.00 H new ATOM 0 HD13 LEU A 82 1.469 8.236 2.988 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -1.347 7.444 2.021 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -1.002 8.071 3.650 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -2.215 8.875 2.626 1.00 0.00 H new ATOM 1076 N CYS A 83 -0.870 13.404 2.423 1.00 0.00 N ATOM 1077 CA CYS A 83 -1.802 14.413 1.930 1.00 0.00 C ATOM 1078 C CYS A 83 -1.074 15.560 1.229 1.00 0.00 C ATOM 1079 O CYS A 83 -1.700 16.387 0.566 1.00 0.00 O ATOM 1080 CB CYS A 83 -2.645 14.962 3.083 1.00 0.00 C ATOM 1081 SG CYS A 83 -1.691 15.848 4.337 1.00 0.00 S ATOM 0 H CYS A 83 -0.826 13.331 3.439 1.00 0.00 H new ATOM 0 HA CYS A 83 -2.453 13.931 1.200 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -3.403 15.632 2.678 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -3.172 14.135 3.559 1.00 0.00 H new ATOM 0 HG CYS A 83 -2.491 16.276 5.269 1.00 0.00 H new ATOM 1087 N ASP A 84 0.248 15.614 1.383 1.00 0.00 N ATOM 1088 CA ASP A 84 1.042 16.670 0.764 1.00 0.00 C ATOM 1089 C ASP A 84 1.512 16.273 -0.633 1.00 0.00 C ATOM 1090 O ASP A 84 1.654 17.123 -1.513 1.00 0.00 O ATOM 1091 CB ASP A 84 2.248 17.008 1.641 1.00 0.00 C ATOM 1092 CG ASP A 84 2.707 18.443 1.465 1.00 0.00 C ATOM 1093 OD1 ASP A 84 2.094 19.342 2.080 1.00 0.00 O ATOM 1094 OD2 ASP A 84 3.678 18.667 0.713 1.00 0.00 O ATOM 0 H ASP A 84 0.788 14.942 1.928 1.00 0.00 H new ATOM 0 HA ASP A 84 0.405 17.549 0.669 1.00 0.00 H new ATOM 0 HB2 ASP A 84 1.993 16.837 2.687 1.00 0.00 H new ATOM 0 HB3 ASP A 84 3.070 16.334 1.399 1.00 0.00 H new ATOM 1099 N VAL A 85 1.760 14.980 -0.835 1.00 0.00 N ATOM 1100 CA VAL A 85 2.222 14.490 -2.130 1.00 0.00 C ATOM 1101 C VAL A 85 1.170 13.621 -2.812 1.00 0.00 C ATOM 1102 O VAL A 85 0.912 13.766 -4.008 1.00 0.00 O ATOM 1103 CB VAL A 85 3.530 13.683 -1.990 1.00 0.00 C ATOM 1104 CG1 VAL A 85 3.305 12.426 -1.164 1.00 0.00 C ATOM 1105 CG2 VAL A 85 4.092 13.336 -3.361 1.00 0.00 C ATOM 0 H VAL A 85 1.649 14.258 -0.123 1.00 0.00 H new ATOM 0 HA VAL A 85 2.406 15.370 -2.747 1.00 0.00 H new ATOM 0 HB VAL A 85 4.259 14.302 -1.468 1.00 0.00 H new ATOM 0 HG11 VAL A 85 4.241 11.874 -1.079 1.00 0.00 H new ATOM 0 HG12 VAL A 85 2.955 12.702 -0.169 1.00 0.00 H new ATOM 0 HG13 VAL A 85 2.557 11.800 -1.651 1.00 0.00 H new ATOM 0 HG21 VAL A 85 5.014 12.767 -3.243 1.00 0.00 H new ATOM 0 HG22 VAL A 85 3.365 12.739 -3.912 1.00 0.00 H new ATOM 0 HG23 VAL A 85 4.300 14.253 -3.912 1.00 0.00 H new ATOM 1115 N ALA A 86 0.572 12.714 -2.051 1.00 0.00 N ATOM 1116 CA ALA A 86 -0.446 11.817 -2.584 1.00 0.00 C ATOM 1117 C ALA A 86 -1.829 12.458 -2.542 1.00 0.00 C ATOM 1118 O ALA A 86 -2.003 13.549 -1.999 1.00 0.00 O ATOM 1119 CB ALA A 86 -0.449 10.506 -1.813 1.00 0.00 C ATOM 0 H ALA A 86 0.775 12.579 -1.060 1.00 0.00 H new ATOM 0 HA ALA A 86 -0.202 11.616 -3.627 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -1.214 9.845 -2.221 1.00 0.00 H new ATOM 0 HB2 ALA A 86 0.527 10.029 -1.902 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -0.663 10.702 -0.762 1.00 0.00 H new ATOM 1125 N ASP A 87 -2.808 11.770 -3.117 1.00 0.00 N ATOM 1126 CA ASP A 87 -4.179 12.266 -3.144 1.00 0.00 C ATOM 1127 C ASP A 87 -5.163 11.154 -2.795 1.00 0.00 C ATOM 1128 O ASP A 87 -4.868 9.972 -2.976 1.00 0.00 O ATOM 1129 CB ASP A 87 -4.508 12.842 -4.523 1.00 0.00 C ATOM 1130 CG ASP A 87 -5.480 14.002 -4.447 1.00 0.00 C ATOM 1131 OD1 ASP A 87 -5.151 15.011 -3.787 1.00 0.00 O ATOM 1132 OD2 ASP A 87 -6.572 13.903 -5.047 1.00 0.00 O ATOM 0 H ASP A 87 -2.678 10.866 -3.571 1.00 0.00 H new ATOM 0 HA ASP A 87 -4.270 13.056 -2.398 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -3.588 13.173 -5.004 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -4.931 12.057 -5.150 1.00 0.00 H new ATOM 1137 N ASP A 88 -6.333 11.540 -2.295 1.00 0.00 N ATOM 1138 CA ASP A 88 -7.360 10.576 -1.919 1.00 0.00 C ATOM 1139 C ASP A 88 -7.724 9.676 -3.096 1.00 0.00 C ATOM 1140 O ASP A 88 -8.063 10.159 -4.178 1.00 0.00 O ATOM 1141 CB ASP A 88 -8.608 11.301 -1.412 1.00 0.00 C ATOM 1142 CG ASP A 88 -9.512 10.395 -0.598 1.00 0.00 C ATOM 1143 OD1 ASP A 88 -9.034 9.342 -0.133 1.00 0.00 O ATOM 1144 OD2 ASP A 88 -10.701 10.743 -0.427 1.00 0.00 O ATOM 0 H ASP A 88 -6.593 12.514 -2.141 1.00 0.00 H new ATOM 0 HA ASP A 88 -6.959 9.952 -1.120 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -8.307 12.153 -0.802 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -9.165 11.697 -2.261 1.00 0.00 H new ATOM 1149 N LYS A 89 -7.652 8.367 -2.880 1.00 0.00 N ATOM 1150 CA LYS A 89 -7.972 7.400 -3.923 1.00 0.00 C ATOM 1151 C LYS A 89 -7.043 7.566 -5.122 1.00 0.00 C ATOM 1152 O LYS A 89 -7.462 8.009 -6.191 1.00 0.00 O ATOM 1153 CB LYS A 89 -9.429 7.559 -4.363 1.00 0.00 C ATOM 1154 CG LYS A 89 -10.089 6.251 -4.769 1.00 0.00 C ATOM 1155 CD LYS A 89 -10.861 5.633 -3.613 1.00 0.00 C ATOM 1156 CE LYS A 89 -12.093 4.889 -4.101 1.00 0.00 C ATOM 1157 NZ LYS A 89 -12.760 4.138 -3.001 1.00 0.00 N ATOM 0 H LYS A 89 -7.375 7.951 -1.991 1.00 0.00 H new ATOM 0 HA LYS A 89 -7.831 6.399 -3.514 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -9.999 8.006 -3.549 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -9.473 8.254 -5.202 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -10.765 6.428 -5.606 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -9.329 5.551 -5.116 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -10.213 4.947 -3.067 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -11.160 6.415 -2.914 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -12.797 5.599 -4.535 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -11.809 4.196 -4.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -13.596 3.644 -3.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -12.096 3.443 -2.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -13.054 4.802 -2.256 1.00 0.00 H new ATOM 1171 N ASP A 90 -5.776 7.207 -4.936 1.00 0.00 N ATOM 1172 CA ASP A 90 -4.787 7.317 -6.002 1.00 0.00 C ATOM 1173 C ASP A 90 -3.856 6.108 -6.011 1.00 0.00 C ATOM 1174 O ASP A 90 -3.423 5.637 -4.959 1.00 0.00 O ATOM 1175 CB ASP A 90 -3.971 8.601 -5.837 1.00 0.00 C ATOM 1176 CG ASP A 90 -3.451 9.129 -7.158 1.00 0.00 C ATOM 1177 OD1 ASP A 90 -4.113 8.902 -8.191 1.00 0.00 O ATOM 1178 OD2 ASP A 90 -2.378 9.770 -7.160 1.00 0.00 O ATOM 0 H ASP A 90 -5.411 6.838 -4.058 1.00 0.00 H new ATOM 0 HA ASP A 90 -5.318 7.350 -6.953 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -4.590 9.363 -5.363 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -3.131 8.411 -5.169 1.00 0.00 H new ATOM 1183 N ARG A 91 -3.550 5.614 -7.207 1.00 0.00 N ATOM 1184 CA ARG A 91 -2.668 4.461 -7.355 1.00 0.00 C ATOM 1185 C ARG A 91 -1.207 4.897 -7.380 1.00 0.00 C ATOM 1186 O ARG A 91 -0.877 5.971 -7.885 1.00 0.00 O ATOM 1187 CB ARG A 91 -3.006 3.695 -8.636 1.00 0.00 C ATOM 1188 CG ARG A 91 -2.420 2.293 -8.678 1.00 0.00 C ATOM 1189 CD ARG A 91 -2.316 1.776 -10.104 1.00 0.00 C ATOM 1190 NE ARG A 91 -3.547 1.997 -10.858 1.00 0.00 N ATOM 1191 CZ ARG A 91 -4.630 1.231 -10.749 1.00 0.00 C ATOM 1192 NH1 ARG A 91 -4.638 0.194 -9.921 1.00 0.00 N ATOM 1193 NH2 ARG A 91 -5.709 1.502 -11.472 1.00 0.00 N ATOM 0 H ARG A 91 -3.899 5.994 -8.087 1.00 0.00 H new ATOM 0 HA ARG A 91 -2.819 3.805 -6.498 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -4.089 3.630 -8.736 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -2.640 4.259 -9.494 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -1.432 2.296 -8.218 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -3.043 1.619 -8.090 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -1.487 2.272 -10.610 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -2.088 0.710 -10.087 1.00 0.00 H new ATOM 0 HE ARG A 91 -3.579 2.784 -11.506 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -3.811 -0.020 -9.364 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -5.471 -0.389 -9.842 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -5.708 2.297 -12.111 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -6.539 0.915 -11.389 1.00 0.00 H new ATOM 1207 N LEU A 92 -0.334 4.060 -6.828 1.00 0.00 N ATOM 1208 CA LEU A 92 1.092 4.364 -6.785 1.00 0.00 C ATOM 1209 C LEU A 92 1.930 3.111 -7.014 1.00 0.00 C ATOM 1210 O LEU A 92 1.560 2.018 -6.587 1.00 0.00 O ATOM 1211 CB LEU A 92 1.458 4.994 -5.441 1.00 0.00 C ATOM 1212 CG LEU A 92 0.509 6.093 -4.961 1.00 0.00 C ATOM 1213 CD1 LEU A 92 0.630 6.282 -3.455 1.00 0.00 C ATOM 1214 CD2 LEU A 92 0.792 7.398 -5.689 1.00 0.00 C ATOM 0 H LEU A 92 -0.589 3.167 -6.405 1.00 0.00 H new ATOM 0 HA LEU A 92 1.308 5.072 -7.586 1.00 0.00 H new ATOM 0 HB2 LEU A 92 1.491 4.209 -4.686 1.00 0.00 H new ATOM 0 HB3 LEU A 92 2.463 5.409 -5.513 1.00 0.00 H new ATOM 0 HG LEU A 92 -0.513 5.789 -5.188 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -0.052 7.068 -3.131 1.00 0.00 H new ATOM 0 HD12 LEU A 92 0.376 5.350 -2.950 1.00 0.00 H new ATOM 0 HD13 LEU A 92 1.653 6.564 -3.205 1.00 0.00 H new ATOM 0 HD21 LEU A 92 0.107 8.168 -5.334 1.00 0.00 H new ATOM 0 HD22 LEU A 92 1.819 7.708 -5.495 1.00 0.00 H new ATOM 0 HD23 LEU A 92 0.653 7.254 -6.761 1.00 0.00 H new ATOM 1226 N VAL A 93 3.063 3.282 -7.686 1.00 0.00 N ATOM 1227 CA VAL A 93 3.962 2.168 -7.967 1.00 0.00 C ATOM 1228 C VAL A 93 4.968 1.988 -6.834 1.00 0.00 C ATOM 1229 O VAL A 93 5.566 2.956 -6.365 1.00 0.00 O ATOM 1230 CB VAL A 93 4.723 2.377 -9.290 1.00 0.00 C ATOM 1231 CG1 VAL A 93 5.538 1.142 -9.641 1.00 0.00 C ATOM 1232 CG2 VAL A 93 3.757 2.722 -10.414 1.00 0.00 C ATOM 0 H VAL A 93 3.381 4.182 -8.047 1.00 0.00 H new ATOM 0 HA VAL A 93 3.347 1.273 -8.055 1.00 0.00 H new ATOM 0 HB VAL A 93 5.410 3.213 -9.162 1.00 0.00 H new ATOM 0 HG11 VAL A 93 6.068 1.310 -10.579 1.00 0.00 H new ATOM 0 HG12 VAL A 93 6.259 0.944 -8.847 1.00 0.00 H new ATOM 0 HG13 VAL A 93 4.873 0.285 -9.749 1.00 0.00 H new ATOM 0 HG21 VAL A 93 4.313 2.866 -11.340 1.00 0.00 H new ATOM 0 HG22 VAL A 93 3.043 1.909 -10.542 1.00 0.00 H new ATOM 0 HG23 VAL A 93 3.222 3.639 -10.166 1.00 0.00 H new ATOM 1242 N ALA A 94 5.147 0.747 -6.394 1.00 0.00 N ATOM 1243 CA ALA A 94 6.075 0.452 -5.309 1.00 0.00 C ATOM 1244 C ALA A 94 7.264 -0.374 -5.794 1.00 0.00 C ATOM 1245 O ALA A 94 7.102 -1.504 -6.258 1.00 0.00 O ATOM 1246 CB ALA A 94 5.353 -0.271 -4.181 1.00 0.00 C ATOM 0 H ALA A 94 4.663 -0.068 -6.771 1.00 0.00 H new ATOM 0 HA ALA A 94 6.462 1.400 -4.935 1.00 0.00 H new ATOM 0 HB1 ALA A 94 6.057 -0.486 -3.377 1.00 0.00 H new ATOM 0 HB2 ALA A 94 4.549 0.359 -3.801 1.00 0.00 H new ATOM 0 HB3 ALA A 94 4.935 -1.205 -4.556 1.00 0.00 H new ATOM 1252 N VAL A 95 8.458 0.197 -5.671 1.00 0.00 N ATOM 1253 CA VAL A 95 9.681 -0.481 -6.081 1.00 0.00 C ATOM 1254 C VAL A 95 10.441 -0.990 -4.862 1.00 0.00 C ATOM 1255 O VAL A 95 10.782 -0.217 -3.966 1.00 0.00 O ATOM 1256 CB VAL A 95 10.599 0.452 -6.896 1.00 0.00 C ATOM 1257 CG1 VAL A 95 11.797 -0.315 -7.438 1.00 0.00 C ATOM 1258 CG2 VAL A 95 9.824 1.110 -8.028 1.00 0.00 C ATOM 0 H VAL A 95 8.604 1.131 -5.289 1.00 0.00 H new ATOM 0 HA VAL A 95 9.390 -1.321 -6.712 1.00 0.00 H new ATOM 0 HB VAL A 95 10.967 1.236 -6.234 1.00 0.00 H new ATOM 0 HG11 VAL A 95 12.433 0.360 -8.010 1.00 0.00 H new ATOM 0 HG12 VAL A 95 12.367 -0.734 -6.608 1.00 0.00 H new ATOM 0 HG13 VAL A 95 11.451 -1.122 -8.084 1.00 0.00 H new ATOM 0 HG21 VAL A 95 10.489 1.765 -8.592 1.00 0.00 H new ATOM 0 HG22 VAL A 95 9.424 0.342 -8.690 1.00 0.00 H new ATOM 0 HG23 VAL A 95 9.003 1.696 -7.614 1.00 0.00 H new ATOM 1268 N PHE A 96 10.696 -2.293 -4.822 1.00 0.00 N ATOM 1269 CA PHE A 96 11.403 -2.889 -3.696 1.00 0.00 C ATOM 1270 C PHE A 96 12.219 -4.105 -4.122 1.00 0.00 C ATOM 1271 O PHE A 96 12.297 -4.436 -5.305 1.00 0.00 O ATOM 1272 CB PHE A 96 10.407 -3.292 -2.605 1.00 0.00 C ATOM 1273 CG PHE A 96 9.532 -4.453 -2.986 1.00 0.00 C ATOM 1274 CD1 PHE A 96 8.724 -4.389 -4.110 1.00 0.00 C ATOM 1275 CD2 PHE A 96 9.519 -5.609 -2.223 1.00 0.00 C ATOM 1276 CE1 PHE A 96 7.920 -5.455 -4.466 1.00 0.00 C ATOM 1277 CE2 PHE A 96 8.717 -6.679 -2.573 1.00 0.00 C ATOM 1278 CZ PHE A 96 7.917 -6.601 -3.696 1.00 0.00 C ATOM 0 H PHE A 96 10.426 -2.953 -5.551 1.00 0.00 H new ATOM 0 HA PHE A 96 12.093 -2.141 -3.306 1.00 0.00 H new ATOM 0 HB2 PHE A 96 10.957 -3.545 -1.699 1.00 0.00 H new ATOM 0 HB3 PHE A 96 9.776 -2.436 -2.367 1.00 0.00 H new ATOM 0 HD1 PHE A 96 8.723 -3.495 -4.715 1.00 0.00 H new ATOM 0 HD2 PHE A 96 10.143 -5.675 -1.344 1.00 0.00 H new ATOM 0 HE1 PHE A 96 7.295 -5.392 -5.345 1.00 0.00 H new ATOM 0 HE2 PHE A 96 8.716 -7.574 -1.969 1.00 0.00 H new ATOM 0 HZ PHE A 96 7.290 -7.436 -3.972 1.00 0.00 H new ATOM 1288 N ASP A 97 12.817 -4.764 -3.138 1.00 0.00 N ATOM 1289 CA ASP A 97 13.625 -5.952 -3.382 1.00 0.00 C ATOM 1290 C ASP A 97 13.223 -7.067 -2.424 1.00 0.00 C ATOM 1291 O ASP A 97 13.169 -6.863 -1.213 1.00 0.00 O ATOM 1292 CB ASP A 97 15.109 -5.628 -3.208 1.00 0.00 C ATOM 1293 CG ASP A 97 15.793 -5.330 -4.528 1.00 0.00 C ATOM 1294 OD1 ASP A 97 15.690 -4.180 -5.005 1.00 0.00 O ATOM 1295 OD2 ASP A 97 16.432 -6.247 -5.087 1.00 0.00 O ATOM 0 H ASP A 97 12.757 -4.493 -2.156 1.00 0.00 H new ATOM 0 HA ASP A 97 13.454 -6.284 -4.406 1.00 0.00 H new ATOM 0 HB2 ASP A 97 15.216 -4.770 -2.545 1.00 0.00 H new ATOM 0 HB3 ASP A 97 15.608 -6.468 -2.725 1.00 0.00 H new ATOM 1300 N GLU A 98 12.936 -8.242 -2.970 1.00 0.00 N ATOM 1301 CA GLU A 98 12.534 -9.380 -2.155 1.00 0.00 C ATOM 1302 C GLU A 98 13.375 -10.609 -2.480 1.00 0.00 C ATOM 1303 O GLU A 98 13.665 -10.885 -3.644 1.00 0.00 O ATOM 1304 CB GLU A 98 11.052 -9.689 -2.374 1.00 0.00 C ATOM 1305 CG GLU A 98 10.638 -9.684 -3.835 1.00 0.00 C ATOM 1306 CD GLU A 98 9.473 -10.615 -4.115 1.00 0.00 C ATOM 1307 OE1 GLU A 98 8.536 -10.655 -3.290 1.00 0.00 O ATOM 1308 OE2 GLU A 98 9.498 -11.301 -5.158 1.00 0.00 O ATOM 0 H GLU A 98 12.974 -8.431 -3.972 1.00 0.00 H new ATOM 0 HA GLU A 98 12.695 -9.121 -1.109 1.00 0.00 H new ATOM 0 HB2 GLU A 98 10.826 -10.665 -1.945 1.00 0.00 H new ATOM 0 HB3 GLU A 98 10.453 -8.956 -1.833 1.00 0.00 H new ATOM 0 HG2 GLU A 98 10.366 -8.670 -4.128 1.00 0.00 H new ATOM 0 HG3 GLU A 98 11.488 -9.977 -4.451 1.00 0.00 H new ATOM 1315 N GLN A 99 13.763 -11.346 -1.443 1.00 0.00 N ATOM 1316 CA GLN A 99 14.570 -12.549 -1.630 1.00 0.00 C ATOM 1317 C GLN A 99 13.694 -13.800 -1.601 1.00 0.00 C ATOM 1318 O GLN A 99 13.808 -14.631 -0.701 1.00 0.00 O ATOM 1319 CB GLN A 99 15.660 -12.638 -0.558 1.00 0.00 C ATOM 1320 CG GLN A 99 16.454 -13.934 -0.590 1.00 0.00 C ATOM 1321 CD GLN A 99 17.854 -13.774 -0.027 1.00 0.00 C ATOM 1322 OE1 GLN A 99 18.817 -13.587 -0.769 1.00 0.00 O ATOM 1323 NE2 GLN A 99 17.971 -13.846 1.294 1.00 0.00 N ATOM 0 H GLN A 99 13.534 -11.134 -0.472 1.00 0.00 H new ATOM 0 HA GLN A 99 15.048 -12.487 -2.608 1.00 0.00 H new ATOM 0 HB2 GLN A 99 16.346 -11.800 -0.682 1.00 0.00 H new ATOM 0 HB3 GLN A 99 15.199 -12.530 0.424 1.00 0.00 H new ATOM 0 HG2 GLN A 99 15.922 -14.696 -0.020 1.00 0.00 H new ATOM 0 HG3 GLN A 99 16.518 -14.291 -1.618 1.00 0.00 H new ATOM 0 HE21 GLN A 99 17.145 -14.002 1.871 1.00 0.00 H new ATOM 0 HE22 GLN A 99 18.887 -13.745 1.731 1.00 0.00 H new ATOM 1332 N ASP A 100 12.820 -13.926 -2.596 1.00 0.00 N ATOM 1333 CA ASP A 100 11.926 -15.074 -2.686 1.00 0.00 C ATOM 1334 C ASP A 100 12.716 -16.375 -2.788 1.00 0.00 C ATOM 1335 O ASP A 100 12.265 -17.387 -2.210 1.00 0.00 O ATOM 1336 CB ASP A 100 11.001 -14.931 -3.896 1.00 0.00 C ATOM 1337 CG ASP A 100 9.610 -15.472 -3.629 1.00 0.00 C ATOM 1338 OD1 ASP A 100 9.502 -16.543 -2.995 1.00 0.00 O ATOM 1339 OD2 ASP A 100 8.629 -14.825 -4.054 1.00 0.00 O ATOM 1340 OXT ASP A 100 13.781 -16.370 -3.442 1.00 0.00 O ATOM 0 H ASP A 100 12.713 -13.247 -3.350 1.00 0.00 H new ATOM 0 HA ASP A 100 11.325 -15.106 -1.777 1.00 0.00 H new ATOM 0 HB2 ASP A 100 10.931 -13.879 -4.174 1.00 0.00 H new ATOM 0 HB3 ASP A 100 11.435 -15.457 -4.746 1.00 0.00 H new TER 1345 ASP A 100