USER MOD reduce.3.24.130724 H: found=0, std=0, add=736, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 733 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 98 THR OG1 : rot 170:sc= -0.0226 USER MOD Set 1.2: A 100 HIS : no HE2:sc= -6.78! C(o=-6.8!,f=-13!) USER MOD Set 2.1: A 30 THR OG1 : rot 180:sc= -0.685 USER MOD Set 2.2: A 32 GLN : amide:sc= -0.641 K(o=-1.3,f=-0.69) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 MET CE :methyl 153:sc= -0.154 (180deg=-1.09) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 10 MET CE :methyl -147:sc= -0.925 (180deg=-1.5) USER MOD Single : A 12 LYS NZ :NH3+ 160:sc= -0.0713 (180deg=-0.634) USER MOD Single : A 19 ASN : amide:sc= -5.6! C(o=-5.6!,f=-7.9!) USER MOD Single : A 28 THR OG1 : rot -8:sc= 0.333 USER MOD Single : A 29 LYS NZ :NH3+ -119:sc= 1.59 (180deg=-0.661!) USER MOD Single : A 33 ASN : amide:sc= -0.895 K(o=-0.89,f=-2.6!) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 53 MET CE :methyl 139:sc= -0.0313 (180deg=-1.56) USER MOD Single : A 56 HIS : no HD1:sc= -2.94 K(o=-2.9,f=-3.6!) USER MOD Single : A 58 ASN : amide:sc= -0.459 K(o=-0.46,f=-4.7!) USER MOD Single : A 70 HIS : no HE2:sc= -5.34! C(o=-5.3!,f=-6.8!) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 LYS NZ :NH3+ -161:sc= -0.0389 (180deg=-0.409) USER MOD Single : A 75 TYR OH : rot 12:sc= -0.113 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 166:sc= -6.39! (180deg=-6.68!) USER MOD Single : A 86 ASN : amide:sc= -1.83! C(o=-1.8!,f=-4.3!) USER MOD Single : A 87 THR OG1 : rot -1:sc= 0.741 USER MOD Single : A 94 LYS NZ :NH3+ 157:sc= -0.241 (180deg=-1.05) USER MOD Single : A 96 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 50.926 6.349 -5.846 1.00 0.00 N ATOM 2 CA GLY A 1 51.331 4.959 -5.486 1.00 0.00 C ATOM 3 C GLY A 1 52.784 4.729 -5.885 1.00 0.00 C ATOM 4 O GLY A 1 53.081 4.446 -7.046 1.00 0.00 O ATOM 0 H1 GLY A 1 49.934 6.503 -5.573 1.00 0.00 H new ATOM 0 H2 GLY A 1 51.533 7.028 -5.345 1.00 0.00 H new ATOM 0 H3 GLY A 1 51.028 6.486 -6.872 1.00 0.00 H new ATOM 0 HA2 GLY A 1 51.208 4.800 -4.415 1.00 0.00 H new ATOM 0 HA3 GLY A 1 50.687 4.240 -5.991 1.00 0.00 H new ATOM 10 N ALA A 2 53.685 4.849 -4.917 1.00 0.00 N ATOM 11 CA ALA A 2 55.105 4.649 -5.185 1.00 0.00 C ATOM 12 C ALA A 2 55.388 3.183 -5.502 1.00 0.00 C ATOM 13 O ALA A 2 54.819 2.284 -4.882 1.00 0.00 O ATOM 14 CB ALA A 2 55.930 5.083 -3.970 1.00 0.00 C ATOM 0 H ALA A 2 53.462 5.081 -3.949 1.00 0.00 H new ATOM 0 HA ALA A 2 55.384 5.254 -6.047 1.00 0.00 H new ATOM 0 HB1 ALA A 2 56.989 4.931 -4.177 1.00 0.00 H new ATOM 0 HB2 ALA A 2 55.748 6.138 -3.765 1.00 0.00 H new ATOM 0 HB3 ALA A 2 55.641 4.489 -3.103 1.00 0.00 H new ATOM 20 N MET A 3 56.273 2.948 -6.472 1.00 0.00 N ATOM 21 CA MET A 3 56.636 1.586 -6.876 1.00 0.00 C ATOM 22 C MET A 3 58.141 1.382 -6.759 1.00 0.00 C ATOM 23 O MET A 3 58.927 2.178 -7.272 1.00 0.00 O ATOM 24 CB MET A 3 56.201 1.333 -8.323 1.00 0.00 C ATOM 25 CG MET A 3 56.492 -0.122 -8.704 1.00 0.00 C ATOM 26 SD MET A 3 55.899 -0.439 -10.385 1.00 0.00 S ATOM 27 CE MET A 3 57.059 0.644 -11.257 1.00 0.00 C ATOM 0 H MET A 3 56.752 3.682 -6.993 1.00 0.00 H new ATOM 0 HA MET A 3 56.127 0.884 -6.216 1.00 0.00 H new ATOM 0 HB2 MET A 3 55.137 1.542 -8.435 1.00 0.00 H new ATOM 0 HB3 MET A 3 56.731 2.008 -8.995 1.00 0.00 H new ATOM 0 HG2 MET A 3 57.562 -0.318 -8.642 1.00 0.00 H new ATOM 0 HG3 MET A 3 56.003 -0.797 -8.002 1.00 0.00 H new ATOM 0 HE1 MET A 3 57.212 0.273 -12.270 1.00 0.00 H new ATOM 0 HE2 MET A 3 56.652 1.654 -11.299 1.00 0.00 H new ATOM 0 HE3 MET A 3 58.012 0.658 -10.728 1.00 0.00 H new ATOM 37 N GLY A 4 58.536 0.311 -6.082 1.00 0.00 N ATOM 38 CA GLY A 4 59.950 0.008 -5.905 1.00 0.00 C ATOM 39 C GLY A 4 60.147 -1.027 -4.805 1.00 0.00 C ATOM 40 O GLY A 4 59.182 -1.516 -4.221 1.00 0.00 O ATOM 0 H GLY A 4 57.901 -0.359 -5.649 1.00 0.00 H new ATOM 0 HA2 GLY A 4 60.367 -0.365 -6.841 1.00 0.00 H new ATOM 0 HA3 GLY A 4 60.493 0.919 -5.655 1.00 0.00 H new ATOM 44 N SER A 5 61.404 -1.357 -4.529 1.00 0.00 N ATOM 45 CA SER A 5 61.718 -2.337 -3.495 1.00 0.00 C ATOM 46 C SER A 5 61.643 -1.700 -2.113 1.00 0.00 C ATOM 47 O SER A 5 61.647 -2.394 -1.097 1.00 0.00 O ATOM 48 CB SER A 5 63.117 -2.904 -3.720 1.00 0.00 C ATOM 49 OG SER A 5 63.123 -3.686 -4.908 1.00 0.00 O ATOM 0 H SER A 5 62.217 -0.964 -5.003 1.00 0.00 H new ATOM 0 HA SER A 5 60.986 -3.143 -3.552 1.00 0.00 H new ATOM 0 HB2 SER A 5 63.841 -2.094 -3.801 1.00 0.00 H new ATOM 0 HB3 SER A 5 63.416 -3.514 -2.868 1.00 0.00 H new ATOM 0 HG SER A 5 64.021 -4.050 -5.056 1.00 0.00 H new ATOM 55 N CYS A 6 61.569 -0.375 -2.085 1.00 0.00 N ATOM 56 CA CYS A 6 61.488 0.346 -0.822 1.00 0.00 C ATOM 57 C CYS A 6 60.245 -0.076 -0.054 1.00 0.00 C ATOM 58 O CYS A 6 59.221 0.606 -0.094 1.00 0.00 O ATOM 59 CB CYS A 6 61.439 1.851 -1.088 1.00 0.00 C ATOM 60 SG CYS A 6 60.953 2.734 0.421 1.00 0.00 S ATOM 0 H CYS A 6 61.563 0.218 -2.915 1.00 0.00 H new ATOM 0 HA CYS A 6 62.370 0.111 -0.226 1.00 0.00 H new ATOM 0 HB2 CYS A 6 62.415 2.201 -1.425 1.00 0.00 H new ATOM 0 HB3 CYS A 6 60.730 2.064 -1.888 1.00 0.00 H new ATOM 65 N ARG A 7 60.335 -1.198 0.649 1.00 0.00 N ATOM 66 CA ARG A 7 59.201 -1.686 1.420 1.00 0.00 C ATOM 67 C ARG A 7 58.906 -0.723 2.575 1.00 0.00 C ATOM 68 O ARG A 7 57.751 -0.389 2.822 1.00 0.00 O ATOM 69 CB ARG A 7 59.490 -3.113 1.946 1.00 0.00 C ATOM 70 CG ARG A 7 58.363 -4.076 1.547 1.00 0.00 C ATOM 71 CD ARG A 7 58.589 -5.421 2.238 1.00 0.00 C ATOM 72 NE ARG A 7 60.015 -5.709 2.313 1.00 0.00 N ATOM 73 CZ ARG A 7 60.682 -6.154 1.254 1.00 0.00 C ATOM 74 NH1 ARG A 7 60.056 -6.353 0.126 1.00 0.00 N ATOM 75 NH2 ARG A 7 61.961 -6.389 1.340 1.00 0.00 N1+ ATOM 0 H ARG A 7 61.171 -1.780 0.701 1.00 0.00 H new ATOM 0 HA ARG A 7 58.321 -1.734 0.778 1.00 0.00 H new ATOM 0 HB2 ARG A 7 60.439 -3.469 1.544 1.00 0.00 H new ATOM 0 HB3 ARG A 7 59.591 -3.093 3.031 1.00 0.00 H new ATOM 0 HG2 ARG A 7 57.396 -3.663 1.834 1.00 0.00 H new ATOM 0 HG3 ARG A 7 58.345 -4.207 0.465 1.00 0.00 H new ATOM 0 HD2 ARG A 7 58.160 -5.401 3.240 1.00 0.00 H new ATOM 0 HD3 ARG A 7 58.078 -6.212 1.689 1.00 0.00 H new ATOM 0 HE ARG A 7 60.510 -5.567 3.194 1.00 0.00 H new ATOM 0 HH11 ARG A 7 59.055 -6.167 0.058 1.00 0.00 H new ATOM 0 HH12 ARG A 7 60.567 -6.695 -0.688 1.00 0.00 H new ATOM 0 HH21 ARG A 7 62.450 -6.231 2.221 1.00 0.00 H new ATOM 0 HH22 ARG A 7 62.473 -6.731 0.526 1.00 0.00 H new ATOM 89 N PRO A 8 59.926 -0.270 3.264 1.00 0.00 N ATOM 90 CA PRO A 8 59.780 0.682 4.395 1.00 0.00 C ATOM 91 C PRO A 8 59.874 2.135 3.901 1.00 0.00 C ATOM 92 O PRO A 8 60.956 2.582 3.520 1.00 0.00 O ATOM 93 CB PRO A 8 60.973 0.323 5.297 1.00 0.00 C ATOM 94 CG PRO A 8 62.024 -0.267 4.381 1.00 0.00 C ATOM 95 CD PRO A 8 61.338 -0.616 3.046 1.00 0.00 C ATOM 0 HA PRO A 8 58.819 0.609 4.905 1.00 0.00 H new ATOM 0 HB2 PRO A 8 61.354 1.206 5.811 1.00 0.00 H new ATOM 0 HB3 PRO A 8 60.680 -0.392 6.066 1.00 0.00 H new ATOM 0 HG2 PRO A 8 62.834 0.444 4.220 1.00 0.00 H new ATOM 0 HG3 PRO A 8 62.465 -1.157 4.829 1.00 0.00 H new ATOM 0 HD2 PRO A 8 61.764 -0.048 2.219 1.00 0.00 H new ATOM 0 HD3 PRO A 8 61.456 -1.672 2.802 1.00 0.00 H new ATOM 103 N PRO A 9 58.790 2.881 3.878 1.00 0.00 N ATOM 104 CA PRO A 9 58.822 4.283 3.393 1.00 0.00 C ATOM 105 C PRO A 9 59.281 5.251 4.478 1.00 0.00 C ATOM 106 O PRO A 9 58.622 5.379 5.510 1.00 0.00 O ATOM 107 CB PRO A 9 57.368 4.549 2.991 1.00 0.00 C ATOM 108 CG PRO A 9 56.550 3.699 3.918 1.00 0.00 C ATOM 109 CD PRO A 9 57.429 2.492 4.304 1.00 0.00 C ATOM 0 HA PRO A 9 59.528 4.427 2.575 1.00 0.00 H new ATOM 0 HB2 PRO A 9 57.116 5.604 3.096 1.00 0.00 H new ATOM 0 HB3 PRO A 9 57.191 4.281 1.949 1.00 0.00 H new ATOM 0 HG2 PRO A 9 56.257 4.263 4.803 1.00 0.00 H new ATOM 0 HG3 PRO A 9 55.632 3.369 3.432 1.00 0.00 H new ATOM 0 HD2 PRO A 9 57.388 2.297 5.376 1.00 0.00 H new ATOM 0 HD3 PRO A 9 57.099 1.583 3.801 1.00 0.00 H new ATOM 117 N MET A 10 60.421 5.924 4.269 1.00 0.00 N ATOM 118 CA MET A 10 60.956 6.859 5.261 1.00 0.00 C ATOM 119 C MET A 10 61.120 8.255 4.652 1.00 0.00 C ATOM 120 O MET A 10 60.533 9.222 5.137 1.00 0.00 O ATOM 121 CB MET A 10 62.319 6.348 5.733 1.00 0.00 C ATOM 122 CG MET A 10 62.143 4.989 6.414 1.00 0.00 C ATOM 123 SD MET A 10 63.764 4.222 6.678 1.00 0.00 S ATOM 124 CE MET A 10 63.885 3.363 5.086 1.00 0.00 C ATOM 0 H MET A 10 60.986 5.837 3.425 1.00 0.00 H new ATOM 0 HA MET A 10 60.264 6.926 6.100 1.00 0.00 H new ATOM 0 HB2 MET A 10 62.999 6.258 4.886 1.00 0.00 H new ATOM 0 HB3 MET A 10 62.766 7.060 6.427 1.00 0.00 H new ATOM 0 HG2 MET A 10 61.629 5.113 7.367 1.00 0.00 H new ATOM 0 HG3 MET A 10 61.520 4.341 5.798 1.00 0.00 H new ATOM 0 HE1 MET A 10 64.430 2.428 5.217 1.00 0.00 H new ATOM 0 HE2 MET A 10 62.884 3.150 4.711 1.00 0.00 H new ATOM 0 HE3 MET A 10 64.413 3.994 4.371 1.00 0.00 H new ATOM 134 N VAL A 11 61.921 8.354 3.581 1.00 0.00 N ATOM 135 CA VAL A 11 62.153 9.636 2.908 1.00 0.00 C ATOM 136 C VAL A 11 61.630 9.553 1.490 1.00 0.00 C ATOM 137 O VAL A 11 62.152 8.797 0.687 1.00 0.00 O ATOM 138 CB VAL A 11 63.656 9.942 2.879 1.00 0.00 C ATOM 139 CG1 VAL A 11 63.893 11.442 2.698 1.00 0.00 C ATOM 140 CG2 VAL A 11 64.286 9.487 4.191 1.00 0.00 C ATOM 0 H VAL A 11 62.416 7.565 3.166 1.00 0.00 H new ATOM 0 HA VAL A 11 61.636 10.429 3.448 1.00 0.00 H new ATOM 0 HB VAL A 11 64.109 9.411 2.042 1.00 0.00 H new ATOM 0 HG11 VAL A 11 64.964 11.641 2.680 1.00 0.00 H new ATOM 0 HG12 VAL A 11 63.447 11.770 1.759 1.00 0.00 H new ATOM 0 HG13 VAL A 11 63.437 11.985 3.526 1.00 0.00 H new ATOM 0 HG21 VAL A 11 65.354 9.702 4.175 1.00 0.00 H new ATOM 0 HG22 VAL A 11 63.821 10.018 5.021 1.00 0.00 H new ATOM 0 HG23 VAL A 11 64.134 8.415 4.315 1.00 0.00 H new ATOM 150 N LYS A 12 60.619 10.343 1.185 1.00 0.00 N ATOM 151 CA LYS A 12 60.034 10.352 -0.147 1.00 0.00 C ATOM 152 C LYS A 12 60.830 11.246 -1.087 1.00 0.00 C ATOM 153 O LYS A 12 61.241 12.348 -0.723 1.00 0.00 O ATOM 154 CB LYS A 12 58.588 10.841 -0.047 1.00 0.00 C ATOM 155 CG LYS A 12 58.575 12.291 0.439 1.00 0.00 C ATOM 156 CD LYS A 12 57.139 12.735 0.708 1.00 0.00 C ATOM 157 CE LYS A 12 57.147 14.169 1.238 1.00 0.00 C ATOM 158 NZ LYS A 12 57.751 15.070 0.217 1.00 0.00 N1+ ATOM 0 H LYS A 12 60.183 10.990 1.842 1.00 0.00 H new ATOM 0 HA LYS A 12 60.057 9.341 -0.555 1.00 0.00 H new ATOM 0 HB2 LYS A 12 58.099 10.767 -1.019 1.00 0.00 H new ATOM 0 HB3 LYS A 12 58.026 10.210 0.641 1.00 0.00 H new ATOM 0 HG2 LYS A 12 59.170 12.385 1.347 1.00 0.00 H new ATOM 0 HG3 LYS A 12 59.031 12.939 -0.309 1.00 0.00 H new ATOM 0 HD2 LYS A 12 56.550 12.676 -0.207 1.00 0.00 H new ATOM 0 HD3 LYS A 12 56.670 12.069 1.432 1.00 0.00 H new ATOM 0 HE2 LYS A 12 56.131 14.490 1.466 1.00 0.00 H new ATOM 0 HE3 LYS A 12 57.714 14.222 2.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 57.462 16.051 0.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 58.788 14.999 0.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 57.425 14.789 -0.730 1.00 0.00 H new ATOM 172 N LEU A 13 61.039 10.748 -2.301 1.00 0.00 N ATOM 173 CA LEU A 13 61.777 11.474 -3.330 1.00 0.00 C ATOM 174 C LEU A 13 61.054 11.317 -4.650 1.00 0.00 C ATOM 175 O LEU A 13 60.713 10.204 -5.040 1.00 0.00 O ATOM 176 CB LEU A 13 63.222 10.937 -3.421 1.00 0.00 C ATOM 177 CG LEU A 13 63.279 9.553 -4.130 1.00 0.00 C ATOM 178 CD1 LEU A 13 63.607 9.720 -5.626 1.00 0.00 C ATOM 179 CD2 LEU A 13 64.364 8.685 -3.490 1.00 0.00 C ATOM 0 H LEU A 13 60.703 9.832 -2.600 1.00 0.00 H new ATOM 0 HA LEU A 13 61.830 12.533 -3.077 1.00 0.00 H new ATOM 0 HB2 LEU A 13 63.841 11.650 -3.965 1.00 0.00 H new ATOM 0 HB3 LEU A 13 63.641 10.850 -2.419 1.00 0.00 H new ATOM 0 HG LEU A 13 62.303 9.079 -4.023 1.00 0.00 H new ATOM 0 HD11 LEU A 13 63.642 8.740 -6.102 1.00 0.00 H new ATOM 0 HD12 LEU A 13 62.837 10.328 -6.102 1.00 0.00 H new ATOM 0 HD13 LEU A 13 64.574 10.211 -5.734 1.00 0.00 H new ATOM 0 HD21 LEU A 13 64.399 7.718 -3.991 1.00 0.00 H new ATOM 0 HD22 LEU A 13 65.330 9.179 -3.588 1.00 0.00 H new ATOM 0 HD23 LEU A 13 64.137 8.539 -2.434 1.00 0.00 H new ATOM 191 N VAL A 14 60.780 12.431 -5.334 1.00 0.00 N ATOM 192 CA VAL A 14 60.067 12.367 -6.610 1.00 0.00 C ATOM 193 C VAL A 14 60.970 12.832 -7.737 1.00 0.00 C ATOM 194 O VAL A 14 61.507 13.935 -7.713 1.00 0.00 O ATOM 195 CB VAL A 14 58.797 13.207 -6.534 1.00 0.00 C ATOM 196 CG1 VAL A 14 57.806 12.513 -5.595 1.00 0.00 C ATOM 197 CG2 VAL A 14 59.124 14.609 -5.997 1.00 0.00 C ATOM 0 H VAL A 14 61.036 13.371 -5.032 1.00 0.00 H new ATOM 0 HA VAL A 14 59.781 11.335 -6.815 1.00 0.00 H new ATOM 0 HB VAL A 14 58.362 13.307 -7.529 1.00 0.00 H new ATOM 0 HG11 VAL A 14 56.892 13.103 -5.531 1.00 0.00 H new ATOM 0 HG12 VAL A 14 57.572 11.521 -5.982 1.00 0.00 H new ATOM 0 HG13 VAL A 14 58.249 12.420 -4.603 1.00 0.00 H new ATOM 0 HG21 VAL A 14 58.210 15.201 -5.946 1.00 0.00 H new ATOM 0 HG22 VAL A 14 59.558 14.525 -5.001 1.00 0.00 H new ATOM 0 HG23 VAL A 14 59.836 15.097 -6.663 1.00 0.00 H new ATOM 207 N CYS A 15 61.148 11.947 -8.712 1.00 0.00 N ATOM 208 CA CYS A 15 62.006 12.236 -9.855 1.00 0.00 C ATOM 209 C CYS A 15 61.172 12.656 -11.074 1.00 0.00 C ATOM 210 O CYS A 15 60.547 11.809 -11.712 1.00 0.00 O ATOM 211 CB CYS A 15 62.846 11.002 -10.200 1.00 0.00 C ATOM 212 SG CYS A 15 64.388 11.548 -10.971 1.00 0.00 S ATOM 0 H CYS A 15 60.711 11.026 -8.734 1.00 0.00 H new ATOM 0 HA CYS A 15 62.666 13.062 -9.589 1.00 0.00 H new ATOM 0 HB2 CYS A 15 63.057 10.425 -9.300 1.00 0.00 H new ATOM 0 HB3 CYS A 15 62.296 10.348 -10.876 1.00 0.00 H new ATOM 217 N PRO A 16 61.148 13.928 -11.420 1.00 0.00 N ATOM 218 CA PRO A 16 60.369 14.416 -12.598 1.00 0.00 C ATOM 219 C PRO A 16 60.577 13.552 -13.839 1.00 0.00 C ATOM 220 O PRO A 16 61.332 12.581 -13.816 1.00 0.00 O ATOM 221 CB PRO A 16 60.901 15.831 -12.821 1.00 0.00 C ATOM 222 CG PRO A 16 61.340 16.288 -11.472 1.00 0.00 C ATOM 223 CD PRO A 16 61.841 15.049 -10.739 1.00 0.00 C ATOM 0 HA PRO A 16 59.295 14.380 -12.416 1.00 0.00 H new ATOM 0 HB2 PRO A 16 61.729 15.835 -13.529 1.00 0.00 H new ATOM 0 HB3 PRO A 16 60.130 16.484 -13.229 1.00 0.00 H new ATOM 0 HG2 PRO A 16 62.128 17.036 -11.553 1.00 0.00 H new ATOM 0 HG3 PRO A 16 60.515 16.752 -10.932 1.00 0.00 H new ATOM 0 HD2 PRO A 16 62.924 14.952 -10.812 1.00 0.00 H new ATOM 0 HD3 PRO A 16 61.595 15.086 -9.678 1.00 0.00 H new ATOM 231 N ALA A 17 59.899 13.922 -14.922 1.00 0.00 N ATOM 232 CA ALA A 17 60.018 13.187 -16.168 1.00 0.00 C ATOM 233 C ALA A 17 61.450 13.234 -16.652 1.00 0.00 C ATOM 234 O ALA A 17 62.033 12.209 -17.005 1.00 0.00 O ATOM 235 CB ALA A 17 59.098 13.792 -17.228 1.00 0.00 C ATOM 0 H ALA A 17 59.267 14.722 -14.958 1.00 0.00 H new ATOM 0 HA ALA A 17 59.726 12.151 -15.996 1.00 0.00 H new ATOM 0 HB1 ALA A 17 59.197 13.232 -18.158 1.00 0.00 H new ATOM 0 HB2 ALA A 17 58.065 13.744 -16.883 1.00 0.00 H new ATOM 0 HB3 ALA A 17 59.375 14.832 -17.400 1.00 0.00 H new ATOM 241 N ASP A 18 62.023 14.433 -16.648 1.00 0.00 N ATOM 242 CA ASP A 18 63.405 14.610 -17.072 1.00 0.00 C ATOM 243 C ASP A 18 64.314 14.602 -15.851 1.00 0.00 C ATOM 244 O ASP A 18 65.518 14.835 -15.951 1.00 0.00 O ATOM 245 CB ASP A 18 63.569 15.922 -17.839 1.00 0.00 C ATOM 246 CG ASP A 18 62.842 15.836 -19.176 1.00 0.00 C ATOM 247 OD1 ASP A 18 62.407 14.749 -19.523 1.00 0.00 O ATOM 248 OD2 ASP A 18 62.730 16.857 -19.834 1.00 0.00 O1- ATOM 0 H ASP A 18 61.554 15.291 -16.358 1.00 0.00 H new ATOM 0 HA ASP A 18 63.679 13.790 -17.735 1.00 0.00 H new ATOM 0 HB2 ASP A 18 63.171 16.749 -17.251 1.00 0.00 H new ATOM 0 HB3 ASP A 18 64.627 16.128 -18.003 1.00 0.00 H new ATOM 253 N ASN A 19 63.711 14.330 -14.698 1.00 0.00 N ATOM 254 CA ASN A 19 64.441 14.283 -13.441 1.00 0.00 C ATOM 255 C ASN A 19 65.113 15.618 -13.148 1.00 0.00 C ATOM 256 O ASN A 19 66.332 15.680 -12.980 1.00 0.00 O ATOM 257 CB ASN A 19 65.501 13.192 -13.483 1.00 0.00 C ATOM 258 CG ASN A 19 64.865 11.860 -13.860 1.00 0.00 C ATOM 259 OD1 ASN A 19 63.698 11.619 -13.557 1.00 0.00 O ATOM 260 ND2 ASN A 19 65.568 10.976 -14.511 1.00 0.00 N ATOM 0 H ASN A 19 62.713 14.138 -14.611 1.00 0.00 H new ATOM 0 HA ASN A 19 63.722 14.066 -12.651 1.00 0.00 H new ATOM 0 HB2 ASN A 19 66.274 13.453 -14.206 1.00 0.00 H new ATOM 0 HB3 ASN A 19 65.988 13.109 -12.511 1.00 0.00 H new ATOM 0 HD21 ASN A 19 65.150 10.082 -14.770 1.00 0.00 H new ATOM 0 HD22 ASN A 19 66.536 11.178 -14.761 1.00 0.00 H new ATOM 267 N LEU A 20 64.320 16.693 -13.098 1.00 0.00 N ATOM 268 CA LEU A 20 64.866 18.029 -12.837 1.00 0.00 C ATOM 269 C LEU A 20 64.534 18.510 -11.429 1.00 0.00 C ATOM 270 O LEU A 20 64.584 19.708 -11.151 1.00 0.00 O ATOM 271 CB LEU A 20 64.342 19.044 -13.868 1.00 0.00 C ATOM 272 CG LEU A 20 62.794 19.026 -13.920 1.00 0.00 C ATOM 273 CD1 LEU A 20 62.259 20.422 -14.266 1.00 0.00 C ATOM 274 CD2 LEU A 20 62.304 18.024 -14.983 1.00 0.00 C ATOM 0 H LEU A 20 63.309 16.666 -13.233 1.00 0.00 H new ATOM 0 HA LEU A 20 65.950 17.954 -12.925 1.00 0.00 H new ATOM 0 HB2 LEU A 20 64.690 20.044 -13.610 1.00 0.00 H new ATOM 0 HB3 LEU A 20 64.746 18.810 -14.853 1.00 0.00 H new ATOM 0 HG LEU A 20 62.424 18.725 -12.940 1.00 0.00 H new ATOM 0 HD11 LEU A 20 61.170 20.396 -14.300 1.00 0.00 H new ATOM 0 HD12 LEU A 20 62.582 21.134 -13.506 1.00 0.00 H new ATOM 0 HD13 LEU A 20 62.645 20.729 -15.238 1.00 0.00 H new ATOM 0 HD21 LEU A 20 61.214 18.023 -15.007 1.00 0.00 H new ATOM 0 HD22 LEU A 20 62.688 18.314 -15.961 1.00 0.00 H new ATOM 0 HD23 LEU A 20 62.662 17.025 -14.734 1.00 0.00 H new ATOM 286 N ARG A 21 64.204 17.580 -10.544 1.00 0.00 N ATOM 287 CA ARG A 21 63.875 17.935 -9.167 1.00 0.00 C ATOM 288 C ARG A 21 64.259 16.796 -8.225 1.00 0.00 C ATOM 289 O ARG A 21 63.445 16.328 -7.431 1.00 0.00 O ATOM 290 CB ARG A 21 62.379 18.226 -9.056 1.00 0.00 C ATOM 291 CG ARG A 21 62.080 18.945 -7.739 1.00 0.00 C ATOM 292 CD ARG A 21 60.580 19.225 -7.650 1.00 0.00 C ATOM 293 NE ARG A 21 60.292 20.041 -6.480 1.00 0.00 N ATOM 294 CZ ARG A 21 59.060 20.135 -5.994 1.00 0.00 C ATOM 295 NH1 ARG A 21 58.080 19.492 -6.568 1.00 0.00 N ATOM 296 NH2 ARG A 21 58.832 20.870 -4.940 1.00 0.00 N1+ ATOM 0 H ARG A 21 64.157 16.582 -10.750 1.00 0.00 H new ATOM 0 HA ARG A 21 64.435 18.826 -8.884 1.00 0.00 H new ATOM 0 HB2 ARG A 21 62.057 18.841 -9.896 1.00 0.00 H new ATOM 0 HB3 ARG A 21 61.815 17.295 -9.107 1.00 0.00 H new ATOM 0 HG2 ARG A 21 62.399 18.332 -6.896 1.00 0.00 H new ATOM 0 HG3 ARG A 21 62.640 19.878 -7.685 1.00 0.00 H new ATOM 0 HD2 ARG A 21 60.244 19.737 -8.552 1.00 0.00 H new ATOM 0 HD3 ARG A 21 60.030 18.286 -7.592 1.00 0.00 H new ATOM 0 HE ARG A 21 61.050 20.550 -6.025 1.00 0.00 H new ATOM 0 HH11 ARG A 21 58.260 18.917 -7.391 1.00 0.00 H new ATOM 0 HH12 ARG A 21 57.134 19.565 -6.194 1.00 0.00 H new ATOM 0 HH21 ARG A 21 59.599 21.371 -4.492 1.00 0.00 H new ATOM 0 HH22 ARG A 21 57.886 20.944 -4.565 1.00 0.00 H new ATOM 310 N ALA A 22 65.508 16.347 -8.323 1.00 0.00 N ATOM 311 CA ALA A 22 65.988 15.262 -7.475 1.00 0.00 C ATOM 312 C ALA A 22 66.394 15.798 -6.114 1.00 0.00 C ATOM 313 O ALA A 22 66.667 16.989 -5.955 1.00 0.00 O ATOM 314 CB ALA A 22 67.179 14.557 -8.131 1.00 0.00 C ATOM 0 H ALA A 22 66.200 16.715 -8.976 1.00 0.00 H new ATOM 0 HA ALA A 22 65.179 14.543 -7.347 1.00 0.00 H new ATOM 0 HB1 ALA A 22 67.525 13.750 -7.485 1.00 0.00 H new ATOM 0 HB2 ALA A 22 66.874 14.146 -9.093 1.00 0.00 H new ATOM 0 HB3 ALA A 22 67.987 15.273 -8.282 1.00 0.00 H new ATOM 320 N GLU A 23 66.425 14.913 -5.132 1.00 0.00 N ATOM 321 CA GLU A 23 66.790 15.299 -3.780 1.00 0.00 C ATOM 322 C GLU A 23 68.241 15.765 -3.729 1.00 0.00 C ATOM 323 O GLU A 23 68.581 16.684 -2.984 1.00 0.00 O ATOM 324 CB GLU A 23 66.576 14.115 -2.837 1.00 0.00 C ATOM 325 CG GLU A 23 67.539 12.978 -3.192 1.00 0.00 C ATOM 326 CD GLU A 23 67.242 11.760 -2.324 1.00 0.00 C ATOM 327 OE1 GLU A 23 66.077 11.422 -2.193 1.00 0.00 O ATOM 328 OE2 GLU A 23 68.182 11.186 -1.803 1.00 0.00 O1- ATOM 0 H GLU A 23 66.202 13.924 -5.245 1.00 0.00 H new ATOM 0 HA GLU A 23 66.157 16.128 -3.463 1.00 0.00 H new ATOM 0 HB2 GLU A 23 66.736 14.428 -1.805 1.00 0.00 H new ATOM 0 HB3 GLU A 23 65.546 13.765 -2.908 1.00 0.00 H new ATOM 0 HG2 GLU A 23 67.437 12.719 -4.246 1.00 0.00 H new ATOM 0 HG3 GLU A 23 68.569 13.301 -3.041 1.00 0.00 H new ATOM 335 N GLY A 24 69.089 15.127 -4.529 1.00 0.00 N ATOM 336 CA GLY A 24 70.505 15.483 -4.573 1.00 0.00 C ATOM 337 C GLY A 24 71.351 14.289 -4.997 1.00 0.00 C ATOM 338 O GLY A 24 72.527 14.436 -5.326 1.00 0.00 O ATOM 0 H GLY A 24 68.824 14.365 -5.153 1.00 0.00 H new ATOM 0 HA2 GLY A 24 70.656 16.307 -5.270 1.00 0.00 H new ATOM 0 HA3 GLY A 24 70.827 15.833 -3.592 1.00 0.00 H new ATOM 342 N LEU A 25 70.741 13.104 -4.992 1.00 0.00 N ATOM 343 CA LEU A 25 71.445 11.882 -5.381 1.00 0.00 C ATOM 344 C LEU A 25 71.250 11.609 -6.870 1.00 0.00 C ATOM 345 O LEU A 25 70.140 11.716 -7.391 1.00 0.00 O ATOM 346 CB LEU A 25 70.919 10.694 -4.572 1.00 0.00 C ATOM 347 CG LEU A 25 71.105 10.957 -3.071 1.00 0.00 C ATOM 348 CD1 LEU A 25 70.510 9.791 -2.274 1.00 0.00 C ATOM 349 CD2 LEU A 25 72.603 11.097 -2.740 1.00 0.00 C ATOM 0 H LEU A 25 69.767 12.964 -4.725 1.00 0.00 H new ATOM 0 HA LEU A 25 72.508 12.016 -5.179 1.00 0.00 H new ATOM 0 HB2 LEU A 25 69.864 10.532 -4.793 1.00 0.00 H new ATOM 0 HB3 LEU A 25 71.448 9.785 -4.859 1.00 0.00 H new ATOM 0 HG LEU A 25 70.595 11.883 -2.804 1.00 0.00 H new ATOM 0 HD11 LEU A 25 70.641 9.975 -1.208 1.00 0.00 H new ATOM 0 HD12 LEU A 25 69.447 9.701 -2.499 1.00 0.00 H new ATOM 0 HD13 LEU A 25 71.018 8.866 -2.548 1.00 0.00 H new ATOM 0 HD21 LEU A 25 72.724 11.283 -1.673 1.00 0.00 H new ATOM 0 HD22 LEU A 25 73.123 10.177 -3.009 1.00 0.00 H new ATOM 0 HD23 LEU A 25 73.024 11.930 -3.304 1.00 0.00 H new ATOM 361 N GLU A 26 72.340 11.260 -7.545 1.00 0.00 N ATOM 362 CA GLU A 26 72.285 10.976 -8.973 1.00 0.00 C ATOM 363 C GLU A 26 71.408 9.759 -9.248 1.00 0.00 C ATOM 364 O GLU A 26 70.678 9.719 -10.238 1.00 0.00 O ATOM 365 CB GLU A 26 73.696 10.718 -9.508 1.00 0.00 C ATOM 366 CG GLU A 26 74.504 12.017 -9.464 1.00 0.00 C ATOM 367 CD GLU A 26 75.940 11.754 -9.900 1.00 0.00 C ATOM 368 OE1 GLU A 26 76.250 10.610 -10.191 1.00 0.00 O ATOM 369 OE2 GLU A 26 76.710 12.698 -9.939 1.00 0.00 O1- ATOM 0 H GLU A 26 73.267 11.168 -7.129 1.00 0.00 H new ATOM 0 HA GLU A 26 71.854 11.841 -9.478 1.00 0.00 H new ATOM 0 HB2 GLU A 26 74.188 9.951 -8.911 1.00 0.00 H new ATOM 0 HB3 GLU A 26 73.646 10.343 -10.530 1.00 0.00 H new ATOM 0 HG2 GLU A 26 74.048 12.761 -10.117 1.00 0.00 H new ATOM 0 HG3 GLU A 26 74.491 12.428 -8.455 1.00 0.00 H new ATOM 376 N CYS A 27 71.488 8.767 -8.366 1.00 0.00 N ATOM 377 CA CYS A 27 70.697 7.549 -8.521 1.00 0.00 C ATOM 378 C CYS A 27 70.471 6.884 -7.162 1.00 0.00 C ATOM 379 O CYS A 27 69.967 7.515 -6.234 1.00 0.00 O ATOM 380 CB CYS A 27 71.415 6.589 -9.473 1.00 0.00 C ATOM 381 SG CYS A 27 73.138 6.397 -8.953 1.00 0.00 S ATOM 0 H CYS A 27 72.088 8.781 -7.541 1.00 0.00 H new ATOM 0 HA CYS A 27 69.724 7.806 -8.941 1.00 0.00 H new ATOM 0 HB2 CYS A 27 70.915 5.621 -9.475 1.00 0.00 H new ATOM 0 HB3 CYS A 27 71.372 6.972 -10.493 1.00 0.00 H new ATOM 386 N THR A 28 70.845 5.610 -7.045 1.00 0.00 N ATOM 387 CA THR A 28 70.676 4.879 -5.789 1.00 0.00 C ATOM 388 C THR A 28 71.858 5.133 -4.854 1.00 0.00 C ATOM 389 O THR A 28 72.882 5.674 -5.274 1.00 0.00 O ATOM 390 CB THR A 28 70.559 3.383 -6.080 1.00 0.00 C ATOM 391 OG1 THR A 28 71.758 2.926 -6.689 1.00 0.00 O ATOM 392 CG2 THR A 28 69.377 3.141 -7.019 1.00 0.00 C ATOM 0 H THR A 28 71.264 5.066 -7.799 1.00 0.00 H new ATOM 0 HA THR A 28 69.767 5.229 -5.300 1.00 0.00 H new ATOM 0 HB THR A 28 70.398 2.839 -5.149 1.00 0.00 H new ATOM 0 HG1 THR A 28 72.329 3.693 -6.903 1.00 0.00 H new ATOM 0 HG21 THR A 28 69.291 2.075 -7.228 1.00 0.00 H new ATOM 0 HG22 THR A 28 68.460 3.493 -6.547 1.00 0.00 H new ATOM 0 HG23 THR A 28 69.536 3.682 -7.952 1.00 0.00 H new ATOM 400 N LYS A 29 71.721 4.726 -3.589 1.00 0.00 N ATOM 401 CA LYS A 29 72.799 4.899 -2.612 1.00 0.00 C ATOM 402 C LYS A 29 72.793 3.752 -1.611 1.00 0.00 C ATOM 403 O LYS A 29 72.155 3.828 -0.560 1.00 0.00 O ATOM 404 CB LYS A 29 72.636 6.222 -1.848 1.00 0.00 C ATOM 405 CG LYS A 29 73.829 6.465 -0.889 1.00 0.00 C ATOM 406 CD LYS A 29 73.329 6.784 0.525 1.00 0.00 C ATOM 407 CE LYS A 29 74.526 6.896 1.470 1.00 0.00 C ATOM 408 NZ LYS A 29 75.241 8.178 1.208 1.00 0.00 N1+ ATOM 0 H LYS A 29 70.882 4.278 -3.220 1.00 0.00 H new ATOM 0 HA LYS A 29 73.743 4.911 -3.157 1.00 0.00 H new ATOM 0 HB2 LYS A 29 72.561 7.047 -2.556 1.00 0.00 H new ATOM 0 HB3 LYS A 29 71.706 6.205 -1.279 1.00 0.00 H new ATOM 0 HG2 LYS A 29 74.468 5.582 -0.864 1.00 0.00 H new ATOM 0 HG3 LYS A 29 74.438 7.289 -1.260 1.00 0.00 H new ATOM 0 HD2 LYS A 29 72.765 7.717 0.522 1.00 0.00 H new ATOM 0 HD3 LYS A 29 72.651 6.002 0.869 1.00 0.00 H new ATOM 0 HE2 LYS A 29 74.191 6.858 2.506 1.00 0.00 H new ATOM 0 HE3 LYS A 29 75.201 6.053 1.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 76.216 7.977 0.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 74.749 8.703 0.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 75.257 8.750 2.076 1.00 0.00 H new ATOM 422 N THR A 30 73.524 2.702 -1.934 1.00 0.00 N ATOM 423 CA THR A 30 73.622 1.542 -1.045 1.00 0.00 C ATOM 424 C THR A 30 75.063 1.084 -0.948 1.00 0.00 C ATOM 425 O THR A 30 75.867 1.342 -1.835 1.00 0.00 O ATOM 426 CB THR A 30 72.747 0.400 -1.579 1.00 0.00 C ATOM 427 OG1 THR A 30 72.687 0.471 -2.995 1.00 0.00 O ATOM 428 CG2 THR A 30 71.351 0.524 -0.999 1.00 0.00 C ATOM 0 H THR A 30 74.059 2.621 -2.799 1.00 0.00 H new ATOM 0 HA THR A 30 73.272 1.826 -0.052 1.00 0.00 H new ATOM 0 HB THR A 30 73.176 -0.558 -1.286 1.00 0.00 H new ATOM 0 HG1 THR A 30 72.130 -0.259 -3.336 1.00 0.00 H new ATOM 0 HG21 THR A 30 70.727 -0.286 -1.377 1.00 0.00 H new ATOM 0 HG22 THR A 30 71.402 0.466 0.088 1.00 0.00 H new ATOM 0 HG23 THR A 30 70.919 1.481 -1.291 1.00 0.00 H new ATOM 436 N CYS A 31 75.391 0.410 0.131 1.00 0.00 N ATOM 437 CA CYS A 31 76.743 -0.057 0.318 1.00 0.00 C ATOM 438 C CYS A 31 77.236 -0.846 -0.898 1.00 0.00 C ATOM 439 O CYS A 31 78.400 -1.245 -0.944 1.00 0.00 O ATOM 440 CB CYS A 31 76.801 -0.903 1.589 1.00 0.00 C ATOM 441 SG CYS A 31 78.423 -0.731 2.360 1.00 0.00 S ATOM 0 H CYS A 31 74.746 0.175 0.885 1.00 0.00 H new ATOM 0 HA CYS A 31 77.407 0.801 0.424 1.00 0.00 H new ATOM 0 HB2 CYS A 31 76.022 -0.587 2.283 1.00 0.00 H new ATOM 0 HB3 CYS A 31 76.610 -1.949 1.350 1.00 0.00 H new ATOM 446 N GLN A 32 76.361 -1.077 -1.878 1.00 0.00 N ATOM 447 CA GLN A 32 76.753 -1.825 -3.078 1.00 0.00 C ATOM 448 C GLN A 32 77.044 -0.885 -4.248 1.00 0.00 C ATOM 449 O GLN A 32 78.006 -1.084 -4.989 1.00 0.00 O ATOM 450 CB GLN A 32 75.638 -2.789 -3.482 1.00 0.00 C ATOM 451 CG GLN A 32 74.402 -1.968 -3.855 1.00 0.00 C ATOM 452 CD GLN A 32 73.154 -2.839 -3.823 1.00 0.00 C ATOM 453 OE1 GLN A 32 72.867 -3.555 -4.783 1.00 0.00 O ATOM 454 NE2 GLN A 32 72.392 -2.817 -2.767 1.00 0.00 N ATOM 0 H GLN A 32 75.390 -0.763 -1.868 1.00 0.00 H new ATOM 0 HA GLN A 32 77.660 -2.381 -2.840 1.00 0.00 H new ATOM 0 HB2 GLN A 32 75.954 -3.403 -4.325 1.00 0.00 H new ATOM 0 HB3 GLN A 32 75.408 -3.469 -2.661 1.00 0.00 H new ATOM 0 HG2 GLN A 32 74.289 -1.135 -3.162 1.00 0.00 H new ATOM 0 HG3 GLN A 32 74.529 -1.540 -4.850 1.00 0.00 H new ATOM 0 HE21 GLN A 32 72.635 -2.222 -1.975 1.00 0.00 H new ATOM 0 HE22 GLN A 32 71.552 -3.395 -2.732 1.00 0.00 H new ATOM 463 N ASN A 33 76.197 0.138 -4.421 1.00 0.00 N ATOM 464 CA ASN A 33 76.359 1.098 -5.522 1.00 0.00 C ATOM 465 C ASN A 33 76.700 2.480 -4.994 1.00 0.00 C ATOM 466 O ASN A 33 76.890 3.415 -5.767 1.00 0.00 O ATOM 467 CB ASN A 33 75.071 1.165 -6.331 1.00 0.00 C ATOM 468 CG ASN A 33 74.872 -0.143 -7.088 1.00 0.00 C ATOM 469 OD1 ASN A 33 75.832 -0.882 -7.311 1.00 0.00 O ATOM 470 ND2 ASN A 33 73.679 -0.480 -7.495 1.00 0.00 N ATOM 0 H ASN A 33 75.396 0.322 -3.816 1.00 0.00 H new ATOM 0 HA ASN A 33 77.179 0.761 -6.156 1.00 0.00 H new ATOM 0 HB2 ASN A 33 74.224 1.346 -5.670 1.00 0.00 H new ATOM 0 HB3 ASN A 33 75.113 1.999 -7.031 1.00 0.00 H new ATOM 0 HD21 ASN A 33 73.540 -1.356 -7.998 1.00 0.00 H new ATOM 0 HD22 ASN A 33 72.885 0.133 -7.310 1.00 0.00 H new ATOM 477 N TYR A 34 76.742 2.630 -3.680 1.00 0.00 N ATOM 478 CA TYR A 34 77.031 3.927 -3.104 1.00 0.00 C ATOM 479 C TYR A 34 78.303 4.499 -3.712 1.00 0.00 C ATOM 480 O TYR A 34 78.345 5.670 -4.092 1.00 0.00 O ATOM 481 CB TYR A 34 77.184 3.808 -1.585 1.00 0.00 C ATOM 482 CG TYR A 34 77.675 5.121 -1.000 1.00 0.00 C ATOM 483 CD1 TYR A 34 77.074 6.337 -1.363 1.00 0.00 C ATOM 484 CD2 TYR A 34 78.727 5.118 -0.080 1.00 0.00 C ATOM 485 CE1 TYR A 34 77.522 7.537 -0.808 1.00 0.00 C ATOM 486 CE2 TYR A 34 79.177 6.321 0.474 1.00 0.00 C ATOM 487 CZ TYR A 34 78.577 7.529 0.111 1.00 0.00 C ATOM 488 OH TYR A 34 79.020 8.713 0.662 1.00 0.00 O ATOM 0 H TYR A 34 76.582 1.882 -3.005 1.00 0.00 H new ATOM 0 HA TYR A 34 76.202 4.600 -3.323 1.00 0.00 H new ATOM 0 HB2 TYR A 34 76.228 3.537 -1.137 1.00 0.00 H new ATOM 0 HB3 TYR A 34 77.886 3.010 -1.345 1.00 0.00 H new ATOM 0 HD1 TYR A 34 76.262 6.344 -2.075 1.00 0.00 H new ATOM 0 HD2 TYR A 34 79.193 4.186 0.204 1.00 0.00 H new ATOM 0 HE1 TYR A 34 77.055 8.470 -1.087 1.00 0.00 H new ATOM 0 HE2 TYR A 34 79.991 6.316 1.184 1.00 0.00 H new ATOM 0 HH TYR A 34 79.757 8.530 1.281 1.00 0.00 H new ATOM 498 N ASP A 35 79.339 3.668 -3.817 1.00 0.00 N ATOM 499 CA ASP A 35 80.613 4.099 -4.395 1.00 0.00 C ATOM 500 C ASP A 35 80.753 3.591 -5.828 1.00 0.00 C ATOM 501 O ASP A 35 81.737 3.890 -6.508 1.00 0.00 O ATOM 502 CB ASP A 35 81.770 3.531 -3.577 1.00 0.00 C ATOM 503 CG ASP A 35 81.808 4.204 -2.210 1.00 0.00 C ATOM 504 OD1 ASP A 35 81.070 5.159 -2.022 1.00 0.00 O ATOM 505 OD2 ASP A 35 82.571 3.759 -1.370 1.00 0.00 O1- ATOM 0 H ASP A 35 79.322 2.695 -3.511 1.00 0.00 H new ATOM 0 HA ASP A 35 80.636 5.189 -4.386 1.00 0.00 H new ATOM 0 HB2 ASP A 35 81.652 2.454 -3.460 1.00 0.00 H new ATOM 0 HB3 ASP A 35 82.713 3.693 -4.100 1.00 0.00 H new ATOM 510 N LEU A 36 79.775 2.804 -6.275 1.00 0.00 N ATOM 511 CA LEU A 36 79.807 2.234 -7.629 1.00 0.00 C ATOM 512 C LEU A 36 78.597 2.677 -8.437 1.00 0.00 C ATOM 513 O LEU A 36 77.709 3.354 -7.925 1.00 0.00 O ATOM 514 CB LEU A 36 79.867 0.703 -7.577 1.00 0.00 C ATOM 515 CG LEU A 36 81.018 0.252 -6.671 1.00 0.00 C ATOM 516 CD1 LEU A 36 80.982 -1.274 -6.543 1.00 0.00 C ATOM 517 CD2 LEU A 36 82.367 0.692 -7.266 1.00 0.00 C ATOM 0 H LEU A 36 78.955 2.546 -5.727 1.00 0.00 H new ATOM 0 HA LEU A 36 80.707 2.604 -8.120 1.00 0.00 H new ATOM 0 HB2 LEU A 36 78.923 0.307 -7.203 1.00 0.00 H new ATOM 0 HB3 LEU A 36 80.006 0.302 -8.581 1.00 0.00 H new ATOM 0 HG LEU A 36 80.906 0.709 -5.688 1.00 0.00 H new ATOM 0 HD11 LEU A 36 81.798 -1.605 -5.900 1.00 0.00 H new ATOM 0 HD12 LEU A 36 80.030 -1.580 -6.109 1.00 0.00 H new ATOM 0 HD13 LEU A 36 81.092 -1.725 -7.529 1.00 0.00 H new ATOM 0 HD21 LEU A 36 83.176 0.366 -6.613 1.00 0.00 H new ATOM 0 HD22 LEU A 36 82.493 0.244 -8.252 1.00 0.00 H new ATOM 0 HD23 LEU A 36 82.388 1.778 -7.355 1.00 0.00 H new ATOM 529 N GLU A 37 78.573 2.309 -9.708 1.00 0.00 N ATOM 530 CA GLU A 37 77.465 2.691 -10.571 1.00 0.00 C ATOM 531 C GLU A 37 76.158 2.081 -10.083 1.00 0.00 C ATOM 532 O GLU A 37 76.143 0.998 -9.498 1.00 0.00 O ATOM 533 CB GLU A 37 77.735 2.246 -12.009 1.00 0.00 C ATOM 534 CG GLU A 37 78.904 3.046 -12.582 1.00 0.00 C ATOM 535 CD GLU A 37 79.241 2.539 -13.981 1.00 0.00 C ATOM 536 OE1 GLU A 37 78.565 1.634 -14.439 1.00 0.00 O ATOM 537 OE2 GLU A 37 80.172 3.064 -14.570 1.00 0.00 O1- ATOM 0 H GLU A 37 79.298 1.753 -10.161 1.00 0.00 H new ATOM 0 HA GLU A 37 77.375 3.777 -10.540 1.00 0.00 H new ATOM 0 HB2 GLU A 37 77.963 1.181 -12.034 1.00 0.00 H new ATOM 0 HB3 GLU A 37 76.845 2.395 -12.620 1.00 0.00 H new ATOM 0 HG2 GLU A 37 78.648 4.105 -12.621 1.00 0.00 H new ATOM 0 HG3 GLU A 37 79.774 2.952 -11.932 1.00 0.00 H new ATOM 544 N CYS A 38 75.059 2.791 -10.328 1.00 0.00 N ATOM 545 CA CYS A 38 73.743 2.319 -9.910 1.00 0.00 C ATOM 546 C CYS A 38 73.178 1.335 -10.929 1.00 0.00 C ATOM 547 O CYS A 38 73.412 1.465 -12.130 1.00 0.00 O ATOM 548 CB CYS A 38 72.782 3.502 -9.756 1.00 0.00 C ATOM 549 SG CYS A 38 73.256 4.485 -8.313 1.00 0.00 S ATOM 0 H CYS A 38 75.054 3.689 -10.811 1.00 0.00 H new ATOM 0 HA CYS A 38 73.851 1.813 -8.951 1.00 0.00 H new ATOM 0 HB2 CYS A 38 72.804 4.121 -10.653 1.00 0.00 H new ATOM 0 HB3 CYS A 38 71.760 3.141 -9.643 1.00 0.00 H new ATOM 554 N MET A 39 72.436 0.352 -10.435 1.00 0.00 N ATOM 555 CA MET A 39 71.838 -0.655 -11.302 1.00 0.00 C ATOM 556 C MET A 39 70.788 -0.016 -12.205 1.00 0.00 C ATOM 557 O MET A 39 70.564 1.195 -12.154 1.00 0.00 O ATOM 558 CB MET A 39 71.195 -1.767 -10.458 1.00 0.00 C ATOM 559 CG MET A 39 70.552 -1.160 -9.206 1.00 0.00 C ATOM 560 SD MET A 39 69.545 -2.412 -8.374 1.00 0.00 S ATOM 561 CE MET A 39 70.869 -3.173 -7.400 1.00 0.00 C ATOM 0 H MET A 39 72.234 0.231 -9.442 1.00 0.00 H new ATOM 0 HA MET A 39 72.621 -1.090 -11.923 1.00 0.00 H new ATOM 0 HB2 MET A 39 70.443 -2.294 -11.046 1.00 0.00 H new ATOM 0 HB3 MET A 39 71.948 -2.501 -10.172 1.00 0.00 H new ATOM 0 HG2 MET A 39 71.324 -0.792 -8.530 1.00 0.00 H new ATOM 0 HG3 MET A 39 69.934 -0.305 -9.480 1.00 0.00 H new ATOM 0 HE1 MET A 39 70.459 -3.986 -6.801 1.00 0.00 H new ATOM 0 HE2 MET A 39 71.634 -3.566 -8.070 1.00 0.00 H new ATOM 0 HE3 MET A 39 71.312 -2.426 -6.742 1.00 0.00 H new ATOM 571 N SER A 40 70.148 -0.837 -13.033 1.00 0.00 N ATOM 572 CA SER A 40 69.127 -0.342 -13.947 1.00 0.00 C ATOM 573 C SER A 40 68.151 0.573 -13.214 1.00 0.00 C ATOM 574 O SER A 40 67.128 0.120 -12.701 1.00 0.00 O ATOM 575 CB SER A 40 68.360 -1.517 -14.559 1.00 0.00 C ATOM 576 OG SER A 40 69.267 -2.359 -15.259 1.00 0.00 O ATOM 0 H SER A 40 70.318 -1.841 -13.089 1.00 0.00 H new ATOM 0 HA SER A 40 69.618 0.225 -14.738 1.00 0.00 H new ATOM 0 HB2 SER A 40 67.852 -2.081 -13.777 1.00 0.00 H new ATOM 0 HB3 SER A 40 67.590 -1.149 -15.237 1.00 0.00 H new ATOM 0 HG SER A 40 68.778 -3.113 -15.650 1.00 0.00 H new ATOM 582 N MET A 41 68.476 1.863 -13.170 1.00 0.00 N ATOM 583 CA MET A 41 67.621 2.843 -12.499 1.00 0.00 C ATOM 584 C MET A 41 67.739 4.204 -13.178 1.00 0.00 C ATOM 585 O MET A 41 68.836 4.744 -13.323 1.00 0.00 O ATOM 586 CB MET A 41 68.022 2.963 -11.025 1.00 0.00 C ATOM 587 CG MET A 41 66.971 3.778 -10.268 1.00 0.00 C ATOM 588 SD MET A 41 65.437 2.816 -10.136 1.00 0.00 S ATOM 589 CE MET A 41 65.481 2.504 -8.350 1.00 0.00 C ATOM 0 H MET A 41 69.320 2.254 -13.588 1.00 0.00 H new ATOM 0 HA MET A 41 66.586 2.506 -12.564 1.00 0.00 H new ATOM 0 HB2 MET A 41 68.115 1.972 -10.582 1.00 0.00 H new ATOM 0 HB3 MET A 41 68.997 3.443 -10.942 1.00 0.00 H new ATOM 0 HG2 MET A 41 67.340 4.033 -9.274 1.00 0.00 H new ATOM 0 HG3 MET A 41 66.780 4.717 -10.788 1.00 0.00 H new ATOM 0 HE1 MET A 41 64.609 1.917 -8.062 1.00 0.00 H new ATOM 0 HE2 MET A 41 66.388 1.954 -8.099 1.00 0.00 H new ATOM 0 HE3 MET A 41 65.472 3.453 -7.814 1.00 0.00 H new ATOM 599 N GLY A 42 66.598 4.754 -13.595 1.00 0.00 N ATOM 600 CA GLY A 42 66.568 6.059 -14.260 1.00 0.00 C ATOM 601 C GLY A 42 65.975 7.115 -13.337 1.00 0.00 C ATOM 602 O GLY A 42 65.241 7.999 -13.778 1.00 0.00 O ATOM 0 H GLY A 42 65.683 4.317 -13.485 1.00 0.00 H new ATOM 0 HA2 GLY A 42 67.578 6.348 -14.552 1.00 0.00 H new ATOM 0 HA3 GLY A 42 65.978 5.994 -15.174 1.00 0.00 H new ATOM 606 N CYS A 43 66.291 7.015 -12.053 1.00 0.00 N ATOM 607 CA CYS A 43 65.775 7.965 -11.081 1.00 0.00 C ATOM 608 C CYS A 43 64.253 8.051 -11.186 1.00 0.00 C ATOM 609 O CYS A 43 63.718 8.714 -12.075 1.00 0.00 O ATOM 610 CB CYS A 43 66.393 9.340 -11.325 1.00 0.00 C ATOM 611 SG CYS A 43 65.825 10.481 -10.046 1.00 0.00 S ATOM 0 H CYS A 43 66.897 6.292 -11.664 1.00 0.00 H new ATOM 0 HA CYS A 43 66.039 7.626 -10.079 1.00 0.00 H new ATOM 0 HB2 CYS A 43 67.481 9.271 -11.311 1.00 0.00 H new ATOM 0 HB3 CYS A 43 66.110 9.710 -12.311 1.00 0.00 H new ATOM 616 N VAL A 44 63.561 7.362 -10.276 1.00 0.00 N ATOM 617 CA VAL A 44 62.094 7.342 -10.264 1.00 0.00 C ATOM 618 C VAL A 44 61.561 7.588 -8.856 1.00 0.00 C ATOM 619 O VAL A 44 62.281 7.411 -7.873 1.00 0.00 O ATOM 620 CB VAL A 44 61.591 5.993 -10.775 1.00 0.00 C ATOM 621 CG1 VAL A 44 62.032 5.808 -12.228 1.00 0.00 C ATOM 622 CG2 VAL A 44 62.176 4.872 -9.913 1.00 0.00 C ATOM 0 H VAL A 44 63.993 6.809 -9.536 1.00 0.00 H new ATOM 0 HA VAL A 44 61.733 8.138 -10.916 1.00 0.00 H new ATOM 0 HB VAL A 44 60.503 5.961 -10.718 1.00 0.00 H new ATOM 0 HG11 VAL A 44 61.675 4.846 -12.597 1.00 0.00 H new ATOM 0 HG12 VAL A 44 61.615 6.608 -12.839 1.00 0.00 H new ATOM 0 HG13 VAL A 44 63.120 5.837 -12.284 1.00 0.00 H new ATOM 0 HG21 VAL A 44 61.818 3.909 -10.277 1.00 0.00 H new ATOM 0 HG22 VAL A 44 63.264 4.899 -9.970 1.00 0.00 H new ATOM 0 HG23 VAL A 44 61.863 5.008 -8.878 1.00 0.00 H new ATOM 632 N SER A 45 60.301 8.004 -8.766 1.00 0.00 N ATOM 633 CA SER A 45 59.694 8.275 -7.474 1.00 0.00 C ATOM 634 C SER A 45 59.784 7.056 -6.570 1.00 0.00 C ATOM 635 O SER A 45 59.500 5.933 -6.987 1.00 0.00 O ATOM 636 CB SER A 45 58.228 8.666 -7.658 1.00 0.00 C ATOM 637 OG SER A 45 57.637 8.865 -6.381 1.00 0.00 O ATOM 0 H SER A 45 59.688 8.159 -9.566 1.00 0.00 H new ATOM 0 HA SER A 45 60.236 9.098 -7.008 1.00 0.00 H new ATOM 0 HB2 SER A 45 58.153 9.576 -8.253 1.00 0.00 H new ATOM 0 HB3 SER A 45 57.696 7.885 -8.201 1.00 0.00 H new ATOM 0 HG SER A 45 56.697 9.118 -6.492 1.00 0.00 H new ATOM 643 N GLY A 46 60.183 7.287 -5.325 1.00 0.00 N ATOM 644 CA GLY A 46 60.309 6.204 -4.364 1.00 0.00 C ATOM 645 C GLY A 46 60.756 6.724 -3.002 1.00 0.00 C ATOM 646 O GLY A 46 60.844 7.927 -2.775 1.00 0.00 O ATOM 0 H GLY A 46 60.423 8.209 -4.961 1.00 0.00 H new ATOM 0 HA2 GLY A 46 59.353 5.690 -4.264 1.00 0.00 H new ATOM 0 HA3 GLY A 46 61.028 5.471 -4.730 1.00 0.00 H new ATOM 650 N CYS A 47 60.994 5.796 -2.088 1.00 0.00 N ATOM 651 CA CYS A 47 61.402 6.139 -0.725 1.00 0.00 C ATOM 652 C CYS A 47 62.723 5.479 -0.366 1.00 0.00 C ATOM 653 O CYS A 47 62.892 4.277 -0.531 1.00 0.00 O ATOM 654 CB CYS A 47 60.324 5.710 0.272 1.00 0.00 C ATOM 655 SG CYS A 47 59.625 4.113 -0.229 1.00 0.00 S ATOM 0 H CYS A 47 60.913 4.794 -2.262 1.00 0.00 H new ATOM 0 HA CYS A 47 61.532 7.220 -0.676 1.00 0.00 H new ATOM 0 HB2 CYS A 47 60.751 5.633 1.272 1.00 0.00 H new ATOM 0 HB3 CYS A 47 59.538 6.463 0.318 1.00 0.00 H new ATOM 660 N LEU A 48 63.654 6.278 0.142 1.00 0.00 N ATOM 661 CA LEU A 48 64.970 5.774 0.541 1.00 0.00 C ATOM 662 C LEU A 48 65.270 6.210 1.963 1.00 0.00 C ATOM 663 O LEU A 48 64.411 6.770 2.638 1.00 0.00 O ATOM 664 CB LEU A 48 66.041 6.336 -0.386 1.00 0.00 C ATOM 665 CG LEU A 48 65.676 6.026 -1.833 1.00 0.00 C ATOM 666 CD1 LEU A 48 66.697 6.706 -2.749 1.00 0.00 C ATOM 667 CD2 LEU A 48 65.716 4.508 -2.084 1.00 0.00 C ATOM 0 H LEU A 48 63.525 7.279 0.289 1.00 0.00 H new ATOM 0 HA LEU A 48 64.968 4.686 0.480 1.00 0.00 H new ATOM 0 HB2 LEU A 48 66.130 7.413 -0.245 1.00 0.00 H new ATOM 0 HB3 LEU A 48 67.011 5.902 -0.144 1.00 0.00 H new ATOM 0 HG LEU A 48 64.669 6.392 -2.036 1.00 0.00 H new ATOM 0 HD11 LEU A 48 66.450 6.494 -3.789 1.00 0.00 H new ATOM 0 HD12 LEU A 48 66.674 7.783 -2.583 1.00 0.00 H new ATOM 0 HD13 LEU A 48 67.694 6.326 -2.528 1.00 0.00 H new ATOM 0 HD21 LEU A 48 65.453 4.304 -3.122 1.00 0.00 H new ATOM 0 HD22 LEU A 48 66.719 4.132 -1.883 1.00 0.00 H new ATOM 0 HD23 LEU A 48 65.004 4.011 -1.425 1.00 0.00 H new ATOM 679 N CYS A 49 66.494 5.951 2.419 1.00 0.00 N ATOM 680 CA CYS A 49 66.897 6.326 3.776 1.00 0.00 C ATOM 681 C CYS A 49 67.786 7.582 3.738 1.00 0.00 C ATOM 682 O CYS A 49 68.146 8.052 2.660 1.00 0.00 O ATOM 683 CB CYS A 49 67.631 5.135 4.431 1.00 0.00 C ATOM 684 SG CYS A 49 66.805 4.683 5.980 1.00 0.00 S ATOM 0 H CYS A 49 67.221 5.486 1.874 1.00 0.00 H new ATOM 0 HA CYS A 49 66.017 6.565 4.373 1.00 0.00 H new ATOM 0 HB2 CYS A 49 67.640 4.283 3.751 1.00 0.00 H new ATOM 0 HB3 CYS A 49 68.670 5.399 4.626 1.00 0.00 H new ATOM 689 N PRO A 50 68.134 8.141 4.881 1.00 0.00 N ATOM 690 CA PRO A 50 68.985 9.375 4.950 1.00 0.00 C ATOM 691 C PRO A 50 70.292 9.228 4.157 1.00 0.00 C ATOM 692 O PRO A 50 70.756 8.111 3.923 1.00 0.00 O ATOM 693 CB PRO A 50 69.262 9.542 6.456 1.00 0.00 C ATOM 694 CG PRO A 50 68.132 8.842 7.135 1.00 0.00 C ATOM 695 CD PRO A 50 67.765 7.667 6.232 1.00 0.00 C ATOM 0 HA PRO A 50 68.490 10.239 4.507 1.00 0.00 H new ATOM 0 HB2 PRO A 50 70.221 9.104 6.732 1.00 0.00 H new ATOM 0 HB3 PRO A 50 69.300 10.595 6.736 1.00 0.00 H new ATOM 0 HG2 PRO A 50 68.426 8.496 8.126 1.00 0.00 H new ATOM 0 HG3 PRO A 50 67.282 9.511 7.270 1.00 0.00 H new ATOM 0 HD2 PRO A 50 68.313 6.765 6.504 1.00 0.00 H new ATOM 0 HD3 PRO A 50 66.704 7.427 6.297 1.00 0.00 H new ATOM 703 N PRO A 51 70.896 10.323 3.749 1.00 0.00 N ATOM 704 CA PRO A 51 72.179 10.297 2.978 1.00 0.00 C ATOM 705 C PRO A 51 73.324 9.668 3.780 1.00 0.00 C ATOM 706 O PRO A 51 74.254 9.103 3.206 1.00 0.00 O ATOM 707 CB PRO A 51 72.457 11.783 2.670 1.00 0.00 C ATOM 708 CG PRO A 51 71.677 12.541 3.695 1.00 0.00 C ATOM 709 CD PRO A 51 70.431 11.705 3.969 1.00 0.00 C ATOM 0 HA PRO A 51 72.104 9.686 2.079 1.00 0.00 H new ATOM 0 HB2 PRO A 51 73.521 12.008 2.738 1.00 0.00 H new ATOM 0 HB3 PRO A 51 72.140 12.043 1.660 1.00 0.00 H new ATOM 0 HG2 PRO A 51 72.261 12.683 4.605 1.00 0.00 H new ATOM 0 HG3 PRO A 51 71.410 13.533 3.329 1.00 0.00 H new ATOM 0 HD2 PRO A 51 70.065 11.849 4.985 1.00 0.00 H new ATOM 0 HD3 PRO A 51 69.615 11.967 3.296 1.00 0.00 H new ATOM 717 N GLY A 52 73.252 9.768 5.104 1.00 0.00 N ATOM 718 CA GLY A 52 74.291 9.199 5.963 1.00 0.00 C ATOM 719 C GLY A 52 73.990 7.735 6.268 1.00 0.00 C ATOM 720 O GLY A 52 74.807 7.025 6.845 1.00 0.00 O ATOM 0 H GLY A 52 72.494 10.233 5.604 1.00 0.00 H new ATOM 0 HA2 GLY A 52 75.261 9.283 5.474 1.00 0.00 H new ATOM 0 HA3 GLY A 52 74.353 9.765 6.893 1.00 0.00 H new ATOM 724 N MET A 53 72.800 7.304 5.878 1.00 0.00 N ATOM 725 CA MET A 53 72.372 5.915 6.102 1.00 0.00 C ATOM 726 C MET A 53 72.184 5.195 4.764 1.00 0.00 C ATOM 727 O MET A 53 71.895 5.820 3.742 1.00 0.00 O ATOM 728 CB MET A 53 71.063 5.898 6.926 1.00 0.00 C ATOM 729 CG MET A 53 71.211 4.987 8.147 1.00 0.00 C ATOM 730 SD MET A 53 72.518 5.620 9.225 1.00 0.00 S ATOM 731 CE MET A 53 72.176 4.556 10.646 1.00 0.00 C ATOM 0 H MET A 53 72.109 7.887 5.406 1.00 0.00 H new ATOM 0 HA MET A 53 73.143 5.388 6.664 1.00 0.00 H new ATOM 0 HB2 MET A 53 70.815 6.910 7.247 1.00 0.00 H new ATOM 0 HB3 MET A 53 70.239 5.551 6.303 1.00 0.00 H new ATOM 0 HG2 MET A 53 70.269 4.938 8.692 1.00 0.00 H new ATOM 0 HG3 MET A 53 71.449 3.972 7.829 1.00 0.00 H new ATOM 0 HE1 MET A 53 73.116 4.211 11.077 1.00 0.00 H new ATOM 0 HE2 MET A 53 71.618 5.118 11.395 1.00 0.00 H new ATOM 0 HE3 MET A 53 71.587 3.697 10.324 1.00 0.00 H new ATOM 741 N VAL A 54 72.352 3.872 4.795 1.00 0.00 N ATOM 742 CA VAL A 54 72.198 3.043 3.595 1.00 0.00 C ATOM 743 C VAL A 54 71.293 1.854 3.897 1.00 0.00 C ATOM 744 O VAL A 54 71.430 1.199 4.930 1.00 0.00 O ATOM 745 CB VAL A 54 73.566 2.537 3.122 1.00 0.00 C ATOM 746 CG1 VAL A 54 74.398 3.716 2.641 1.00 0.00 C ATOM 747 CG2 VAL A 54 74.313 1.846 4.261 1.00 0.00 C ATOM 0 H VAL A 54 72.595 3.350 5.637 1.00 0.00 H new ATOM 0 HA VAL A 54 71.749 3.649 2.808 1.00 0.00 H new ATOM 0 HB VAL A 54 73.408 1.822 2.314 1.00 0.00 H new ATOM 0 HG11 VAL A 54 75.372 3.361 2.304 1.00 0.00 H new ATOM 0 HG12 VAL A 54 73.886 4.210 1.815 1.00 0.00 H new ATOM 0 HG13 VAL A 54 74.533 4.424 3.459 1.00 0.00 H new ATOM 0 HG21 VAL A 54 75.281 1.495 3.902 1.00 0.00 H new ATOM 0 HG22 VAL A 54 74.463 2.551 5.078 1.00 0.00 H new ATOM 0 HG23 VAL A 54 73.729 0.997 4.617 1.00 0.00 H new ATOM 757 N ARG A 55 70.367 1.588 2.992 1.00 0.00 N ATOM 758 CA ARG A 55 69.445 0.476 3.171 1.00 0.00 C ATOM 759 C ARG A 55 70.166 -0.850 2.929 1.00 0.00 C ATOM 760 O ARG A 55 70.851 -1.029 1.923 1.00 0.00 O ATOM 761 CB ARG A 55 68.259 0.633 2.218 1.00 0.00 C ATOM 762 CG ARG A 55 68.768 0.742 0.784 1.00 0.00 C ATOM 763 CD ARG A 55 67.619 1.122 -0.144 1.00 0.00 C ATOM 764 NE ARG A 55 68.105 1.216 -1.516 1.00 0.00 N ATOM 765 CZ ARG A 55 68.667 2.332 -1.974 1.00 0.00 C ATOM 766 NH1 ARG A 55 68.796 3.369 -1.191 1.00 0.00 N ATOM 767 NH2 ARG A 55 69.102 2.387 -3.202 1.00 0.00 N1+ ATOM 0 H ARG A 55 70.233 2.121 2.132 1.00 0.00 H new ATOM 0 HA ARG A 55 69.072 0.477 4.195 1.00 0.00 H new ATOM 0 HB2 ARG A 55 67.588 -0.220 2.313 1.00 0.00 H new ATOM 0 HB3 ARG A 55 67.684 1.521 2.479 1.00 0.00 H new ATOM 0 HG2 ARG A 55 69.558 1.490 0.725 1.00 0.00 H new ATOM 0 HG3 ARG A 55 69.203 -0.207 0.470 1.00 0.00 H new ATOM 0 HD2 ARG A 55 66.825 0.378 -0.079 1.00 0.00 H new ATOM 0 HD3 ARG A 55 67.189 2.074 0.166 1.00 0.00 H new ATOM 0 HE ARG A 55 68.012 0.411 -2.136 1.00 0.00 H new ATOM 0 HH11 ARG A 55 68.466 3.324 -0.227 1.00 0.00 H new ATOM 0 HH12 ARG A 55 69.227 4.224 -1.543 1.00 0.00 H new ATOM 0 HH21 ARG A 55 69.012 1.574 -3.812 1.00 0.00 H new ATOM 0 HH22 ARG A 55 69.533 3.243 -3.553 1.00 0.00 H new ATOM 781 N HIS A 56 70.008 -1.769 3.880 1.00 0.00 N ATOM 782 CA HIS A 56 70.641 -3.084 3.814 1.00 0.00 C ATOM 783 C HIS A 56 69.661 -4.164 4.290 1.00 0.00 C ATOM 784 O HIS A 56 69.052 -4.039 5.341 1.00 0.00 O ATOM 785 CB HIS A 56 71.902 -3.061 4.698 1.00 0.00 C ATOM 786 CG HIS A 56 72.325 -4.459 5.062 1.00 0.00 C ATOM 787 ND1 HIS A 56 72.396 -5.474 4.126 1.00 0.00 N ATOM 788 CD2 HIS A 56 72.683 -5.023 6.260 1.00 0.00 C ATOM 789 CE1 HIS A 56 72.780 -6.588 4.773 1.00 0.00 C ATOM 790 NE2 HIS A 56 72.970 -6.370 6.073 1.00 0.00 N ATOM 0 H HIS A 56 69.440 -1.624 4.715 1.00 0.00 H new ATOM 0 HA HIS A 56 70.921 -3.317 2.787 1.00 0.00 H new ATOM 0 HB2 HIS A 56 72.712 -2.557 4.171 1.00 0.00 H new ATOM 0 HB3 HIS A 56 71.706 -2.488 5.604 1.00 0.00 H new ATOM 0 HD2 HIS A 56 72.734 -4.501 7.204 1.00 0.00 H new ATOM 0 HE1 HIS A 56 72.918 -7.547 4.295 1.00 0.00 H new ATOM 0 HE2 HIS A 56 73.263 -7.046 6.779 1.00 0.00 H new ATOM 798 N GLU A 57 69.511 -5.223 3.509 1.00 0.00 N ATOM 799 CA GLU A 57 68.599 -6.301 3.882 1.00 0.00 C ATOM 800 C GLU A 57 67.256 -5.731 4.363 1.00 0.00 C ATOM 801 O GLU A 57 66.553 -6.366 5.143 1.00 0.00 O ATOM 802 CB GLU A 57 69.232 -7.154 4.996 1.00 0.00 C ATOM 803 CG GLU A 57 68.601 -8.552 5.027 1.00 0.00 C ATOM 804 CD GLU A 57 69.059 -9.353 3.813 1.00 0.00 C ATOM 805 OE1 GLU A 57 69.929 -8.875 3.105 1.00 0.00 O ATOM 806 OE2 GLU A 57 68.533 -10.436 3.612 1.00 0.00 O1- ATOM 0 H GLU A 57 70.000 -5.362 2.625 1.00 0.00 H new ATOM 0 HA GLU A 57 68.418 -6.923 3.006 1.00 0.00 H new ATOM 0 HB2 GLU A 57 70.306 -7.237 4.832 1.00 0.00 H new ATOM 0 HB3 GLU A 57 69.093 -6.665 5.960 1.00 0.00 H new ATOM 0 HG2 GLU A 57 68.885 -9.069 5.943 1.00 0.00 H new ATOM 0 HG3 GLU A 57 67.514 -8.470 5.031 1.00 0.00 H new ATOM 813 N ASN A 58 66.912 -4.530 3.878 1.00 0.00 N ATOM 814 CA ASN A 58 65.646 -3.865 4.237 1.00 0.00 C ATOM 815 C ASN A 58 65.789 -3.004 5.501 1.00 0.00 C ATOM 816 O ASN A 58 64.788 -2.549 6.052 1.00 0.00 O ATOM 817 CB ASN A 58 64.524 -4.905 4.455 1.00 0.00 C ATOM 818 CG ASN A 58 63.149 -4.286 4.196 1.00 0.00 C ATOM 819 OD1 ASN A 58 63.013 -3.407 3.347 1.00 0.00 O ATOM 820 ND2 ASN A 58 62.116 -4.703 4.881 1.00 0.00 N ATOM 0 H ASN A 58 67.494 -3.995 3.233 1.00 0.00 H new ATOM 0 HA ASN A 58 65.385 -3.213 3.403 1.00 0.00 H new ATOM 0 HB2 ASN A 58 64.676 -5.755 3.790 1.00 0.00 H new ATOM 0 HB3 ASN A 58 64.569 -5.287 5.475 1.00 0.00 H new ATOM 0 HD21 ASN A 58 61.195 -4.299 4.712 1.00 0.00 H new ATOM 0 HD22 ASN A 58 62.231 -5.432 5.585 1.00 0.00 H new ATOM 827 N ARG A 59 67.026 -2.794 5.973 1.00 0.00 N ATOM 828 CA ARG A 59 67.269 -2.005 7.193 1.00 0.00 C ATOM 829 C ARG A 59 68.288 -0.894 6.904 1.00 0.00 C ATOM 830 O ARG A 59 69.132 -1.043 6.028 1.00 0.00 O ATOM 831 CB ARG A 59 67.788 -2.958 8.306 1.00 0.00 C ATOM 832 CG ARG A 59 69.328 -3.197 8.208 1.00 0.00 C ATOM 833 CD ARG A 59 69.680 -4.663 8.531 1.00 0.00 C ATOM 834 NE ARG A 59 69.349 -4.968 9.921 1.00 0.00 N ATOM 835 CZ ARG A 59 70.165 -4.620 10.912 1.00 0.00 C ATOM 836 NH1 ARG A 59 71.295 -4.026 10.643 1.00 0.00 N ATOM 837 NH2 ARG A 59 69.846 -4.879 12.152 1.00 0.00 N1+ ATOM 0 H ARG A 59 67.871 -3.157 5.532 1.00 0.00 H new ATOM 0 HA ARG A 59 66.345 -1.533 7.527 1.00 0.00 H new ATOM 0 HB2 ARG A 59 67.549 -2.537 9.283 1.00 0.00 H new ATOM 0 HB3 ARG A 59 67.269 -3.914 8.235 1.00 0.00 H new ATOM 0 HG2 ARG A 59 69.675 -2.948 7.205 1.00 0.00 H new ATOM 0 HG3 ARG A 59 69.848 -2.533 8.899 1.00 0.00 H new ATOM 0 HD2 ARG A 59 69.134 -5.331 7.865 1.00 0.00 H new ATOM 0 HD3 ARG A 59 70.742 -4.837 8.356 1.00 0.00 H new ATOM 0 HE ARG A 59 68.479 -5.455 10.135 1.00 0.00 H new ATOM 0 HH11 ARG A 59 71.550 -3.830 9.675 1.00 0.00 H new ATOM 0 HH12 ARG A 59 71.923 -3.758 11.401 1.00 0.00 H new ATOM 0 HH21 ARG A 59 68.967 -5.351 12.365 1.00 0.00 H new ATOM 0 HH22 ARG A 59 70.476 -4.610 12.908 1.00 0.00 H new ATOM 851 N CYS A 60 68.219 0.217 7.635 1.00 0.00 N ATOM 852 CA CYS A 60 69.169 1.317 7.412 1.00 0.00 C ATOM 853 C CYS A 60 70.281 1.274 8.437 1.00 0.00 C ATOM 854 O CYS A 60 70.039 1.163 9.639 1.00 0.00 O ATOM 855 CB CYS A 60 68.465 2.667 7.476 1.00 0.00 C ATOM 856 SG CYS A 60 67.190 2.718 6.201 1.00 0.00 S ATOM 0 H CYS A 60 67.534 0.383 8.372 1.00 0.00 H new ATOM 0 HA CYS A 60 69.595 1.192 6.417 1.00 0.00 H new ATOM 0 HB2 CYS A 60 68.021 2.815 8.460 1.00 0.00 H new ATOM 0 HB3 CYS A 60 69.182 3.474 7.325 1.00 0.00 H new ATOM 861 N VAL A 61 71.509 1.376 7.943 1.00 0.00 N ATOM 862 CA VAL A 61 72.678 1.359 8.808 1.00 0.00 C ATOM 863 C VAL A 61 73.686 2.400 8.362 1.00 0.00 C ATOM 864 O VAL A 61 73.716 2.807 7.205 1.00 0.00 O ATOM 865 CB VAL A 61 73.345 -0.014 8.777 1.00 0.00 C ATOM 866 CG1 VAL A 61 72.314 -1.090 9.118 1.00 0.00 C ATOM 867 CG2 VAL A 61 73.914 -0.278 7.381 1.00 0.00 C ATOM 0 H VAL A 61 71.719 1.471 6.949 1.00 0.00 H new ATOM 0 HA VAL A 61 72.346 1.583 9.822 1.00 0.00 H new ATOM 0 HB VAL A 61 74.153 -0.039 9.508 1.00 0.00 H new ATOM 0 HG11 VAL A 61 72.790 -2.070 9.096 1.00 0.00 H new ATOM 0 HG12 VAL A 61 71.911 -0.905 10.114 1.00 0.00 H new ATOM 0 HG13 VAL A 61 71.505 -1.063 8.388 1.00 0.00 H new ATOM 0 HG21 VAL A 61 74.390 -1.259 7.361 1.00 0.00 H new ATOM 0 HG22 VAL A 61 73.107 -0.251 6.648 1.00 0.00 H new ATOM 0 HG23 VAL A 61 74.651 0.488 7.138 1.00 0.00 H new ATOM 877 N ALA A 62 74.524 2.799 9.287 1.00 0.00 N ATOM 878 CA ALA A 62 75.565 3.766 8.997 1.00 0.00 C ATOM 879 C ALA A 62 76.633 3.147 8.100 1.00 0.00 C ATOM 880 O ALA A 62 76.872 1.939 8.133 1.00 0.00 O ATOM 881 CB ALA A 62 76.193 4.249 10.295 1.00 0.00 C ATOM 0 H ALA A 62 74.509 2.470 10.252 1.00 0.00 H new ATOM 0 HA ALA A 62 75.122 4.613 8.474 1.00 0.00 H new ATOM 0 HB1 ALA A 62 76.975 4.975 10.073 1.00 0.00 H new ATOM 0 HB2 ALA A 62 75.429 4.716 10.917 1.00 0.00 H new ATOM 0 HB3 ALA A 62 76.626 3.402 10.827 1.00 0.00 H new ATOM 887 N LEU A 63 77.237 3.991 7.267 1.00 0.00 N ATOM 888 CA LEU A 63 78.247 3.531 6.312 1.00 0.00 C ATOM 889 C LEU A 63 79.320 2.726 7.030 1.00 0.00 C ATOM 890 O LEU A 63 79.711 1.656 6.568 1.00 0.00 O ATOM 891 CB LEU A 63 78.909 4.731 5.611 1.00 0.00 C ATOM 892 CG LEU A 63 78.024 5.265 4.472 1.00 0.00 C ATOM 893 CD1 LEU A 63 77.984 4.279 3.292 1.00 0.00 C ATOM 894 CD2 LEU A 63 76.614 5.505 5.007 1.00 0.00 C ATOM 0 H LEU A 63 77.047 4.993 7.232 1.00 0.00 H new ATOM 0 HA LEU A 63 77.753 2.904 5.570 1.00 0.00 H new ATOM 0 HB2 LEU A 63 79.092 5.524 6.336 1.00 0.00 H new ATOM 0 HB3 LEU A 63 79.879 4.434 5.213 1.00 0.00 H new ATOM 0 HG LEU A 63 78.445 6.202 4.107 1.00 0.00 H new ATOM 0 HD11 LEU A 63 77.351 4.683 2.502 1.00 0.00 H new ATOM 0 HD12 LEU A 63 78.993 4.130 2.908 1.00 0.00 H new ATOM 0 HD13 LEU A 63 77.579 3.325 3.629 1.00 0.00 H new ATOM 0 HD21 LEU A 63 75.980 5.884 4.205 1.00 0.00 H new ATOM 0 HD22 LEU A 63 76.203 4.568 5.383 1.00 0.00 H new ATOM 0 HD23 LEU A 63 76.651 6.235 5.816 1.00 0.00 H new ATOM 906 N GLU A 64 79.806 3.226 8.148 1.00 0.00 N ATOM 907 CA GLU A 64 80.832 2.512 8.879 1.00 0.00 C ATOM 908 C GLU A 64 80.262 1.234 9.486 1.00 0.00 C ATOM 909 O GLU A 64 81.016 0.374 9.941 1.00 0.00 O ATOM 910 CB GLU A 64 81.398 3.412 9.981 1.00 0.00 C ATOM 911 CG GLU A 64 80.363 3.583 11.095 1.00 0.00 C ATOM 912 CD GLU A 64 80.760 4.735 12.011 1.00 0.00 C ATOM 913 OE1 GLU A 64 81.248 5.731 11.501 1.00 0.00 O ATOM 914 OE2 GLU A 64 80.565 4.607 13.208 1.00 0.00 O1- ATOM 0 H GLU A 64 79.513 4.110 8.565 1.00 0.00 H new ATOM 0 HA GLU A 64 81.632 2.239 8.191 1.00 0.00 H new ATOM 0 HB2 GLU A 64 82.312 2.976 10.385 1.00 0.00 H new ATOM 0 HB3 GLU A 64 81.664 4.385 9.567 1.00 0.00 H new ATOM 0 HG2 GLU A 64 79.381 3.775 10.663 1.00 0.00 H new ATOM 0 HG3 GLU A 64 80.283 2.661 11.672 1.00 0.00 H new ATOM 921 N ARG A 65 78.922 1.107 9.507 1.00 0.00 N ATOM 922 CA ARG A 65 78.276 -0.080 10.088 1.00 0.00 C ATOM 923 C ARG A 65 77.811 -1.033 9.001 1.00 0.00 C ATOM 924 O ARG A 65 77.349 -2.136 9.288 1.00 0.00 O ATOM 925 CB ARG A 65 77.059 0.344 10.904 1.00 0.00 C ATOM 926 CG ARG A 65 77.510 1.082 12.156 1.00 0.00 C ATOM 927 CD ARG A 65 76.278 1.582 12.896 1.00 0.00 C ATOM 928 NE ARG A 65 76.667 2.271 14.123 1.00 0.00 N ATOM 929 CZ ARG A 65 76.856 1.607 15.258 1.00 0.00 C ATOM 930 NH1 ARG A 65 76.672 0.314 15.300 1.00 0.00 N ATOM 931 NH2 ARG A 65 77.223 2.247 16.335 1.00 0.00 N1+ ATOM 0 H ARG A 65 78.275 1.802 9.134 1.00 0.00 H new ATOM 0 HA ARG A 65 79.007 -0.583 10.721 1.00 0.00 H new ATOM 0 HB2 ARG A 65 76.414 0.986 10.305 1.00 0.00 H new ATOM 0 HB3 ARG A 65 76.471 -0.532 11.179 1.00 0.00 H new ATOM 0 HG2 ARG A 65 78.093 0.420 12.796 1.00 0.00 H new ATOM 0 HG3 ARG A 65 78.157 1.918 11.890 1.00 0.00 H new ATOM 0 HD2 ARG A 65 75.711 2.258 12.256 1.00 0.00 H new ATOM 0 HD3 ARG A 65 75.623 0.744 13.134 1.00 0.00 H new ATOM 0 HE ARG A 65 76.796 3.283 14.108 1.00 0.00 H new ATOM 0 HH11 ARG A 65 76.383 -0.188 14.460 1.00 0.00 H new ATOM 0 HH12 ARG A 65 76.818 -0.194 16.173 1.00 0.00 H new ATOM 0 HH21 ARG A 65 77.365 3.257 16.305 1.00 0.00 H new ATOM 0 HH22 ARG A 65 77.368 1.737 17.207 1.00 0.00 H new ATOM 945 N CYS A 66 77.922 -0.599 7.763 1.00 0.00 N ATOM 946 CA CYS A 66 77.495 -1.433 6.647 1.00 0.00 C ATOM 947 C CYS A 66 78.242 -2.771 6.681 1.00 0.00 C ATOM 948 O CYS A 66 79.396 -2.829 7.103 1.00 0.00 O ATOM 949 CB CYS A 66 77.777 -0.702 5.315 1.00 0.00 C ATOM 950 SG CYS A 66 78.267 -1.872 4.013 1.00 0.00 S ATOM 0 H CYS A 66 78.298 0.312 7.501 1.00 0.00 H new ATOM 0 HA CYS A 66 76.425 -1.625 6.729 1.00 0.00 H new ATOM 0 HB2 CYS A 66 76.887 -0.157 5.001 1.00 0.00 H new ATOM 0 HB3 CYS A 66 78.567 0.035 5.462 1.00 0.00 H new ATOM 955 N PRO A 67 77.624 -3.832 6.219 1.00 0.00 N ATOM 956 CA PRO A 67 78.266 -5.178 6.167 1.00 0.00 C ATOM 957 C PRO A 67 79.318 -5.264 5.060 1.00 0.00 C ATOM 958 O PRO A 67 79.326 -4.456 4.132 1.00 0.00 O ATOM 959 CB PRO A 67 77.091 -6.120 5.887 1.00 0.00 C ATOM 960 CG PRO A 67 76.126 -5.286 5.114 1.00 0.00 C ATOM 961 CD PRO A 67 76.241 -3.878 5.697 1.00 0.00 C ATOM 0 HA PRO A 67 78.802 -5.421 7.084 1.00 0.00 H new ATOM 0 HB2 PRO A 67 77.408 -6.993 5.317 1.00 0.00 H new ATOM 0 HB3 PRO A 67 76.647 -6.488 6.812 1.00 0.00 H new ATOM 0 HG2 PRO A 67 76.367 -5.291 4.051 1.00 0.00 H new ATOM 0 HG3 PRO A 67 75.110 -5.669 5.212 1.00 0.00 H new ATOM 0 HD2 PRO A 67 76.073 -3.114 4.938 1.00 0.00 H new ATOM 0 HD3 PRO A 67 75.508 -3.709 6.486 1.00 0.00 H new ATOM 969 N CYS A 68 80.188 -6.265 5.160 1.00 0.00 N ATOM 970 CA CYS A 68 81.234 -6.468 4.144 1.00 0.00 C ATOM 971 C CYS A 68 80.862 -7.624 3.224 1.00 0.00 C ATOM 972 O CYS A 68 79.952 -8.398 3.516 1.00 0.00 O ATOM 973 CB CYS A 68 82.584 -6.736 4.808 1.00 0.00 C ATOM 974 SG CYS A 68 83.370 -5.157 5.218 1.00 0.00 S ATOM 0 H CYS A 68 80.196 -6.944 5.921 1.00 0.00 H new ATOM 0 HA CYS A 68 81.315 -5.558 3.549 1.00 0.00 H new ATOM 0 HB2 CYS A 68 82.447 -7.333 5.710 1.00 0.00 H new ATOM 0 HB3 CYS A 68 83.224 -7.312 4.139 1.00 0.00 H new ATOM 979 N PHE A 69 81.574 -7.728 2.099 1.00 0.00 N ATOM 980 CA PHE A 69 81.314 -8.791 1.126 1.00 0.00 C ATOM 981 C PHE A 69 82.611 -9.472 0.703 1.00 0.00 C ATOM 982 O PHE A 69 83.529 -8.823 0.202 1.00 0.00 O ATOM 983 CB PHE A 69 80.655 -8.195 -0.122 1.00 0.00 C ATOM 984 CG PHE A 69 79.401 -7.425 0.244 1.00 0.00 C ATOM 985 CD1 PHE A 69 79.503 -6.183 0.886 1.00 0.00 C ATOM 986 CD2 PHE A 69 78.140 -7.935 -0.089 1.00 0.00 C ATOM 987 CE1 PHE A 69 78.341 -5.453 1.192 1.00 0.00 C ATOM 988 CE2 PHE A 69 76.982 -7.210 0.222 1.00 0.00 C ATOM 989 CZ PHE A 69 77.083 -5.970 0.861 1.00 0.00 C ATOM 0 H PHE A 69 82.330 -7.094 1.841 1.00 0.00 H new ATOM 0 HA PHE A 69 80.658 -9.524 1.595 1.00 0.00 H new ATOM 0 HB2 PHE A 69 81.358 -7.534 -0.629 1.00 0.00 H new ATOM 0 HB3 PHE A 69 80.406 -8.992 -0.822 1.00 0.00 H new ATOM 0 HD1 PHE A 69 80.474 -5.787 1.145 1.00 0.00 H new ATOM 0 HD2 PHE A 69 78.060 -8.890 -0.587 1.00 0.00 H new ATOM 0 HE1 PHE A 69 78.419 -4.494 1.682 1.00 0.00 H new ATOM 0 HE2 PHE A 69 76.011 -7.609 -0.032 1.00 0.00 H new ATOM 0 HZ PHE A 69 76.190 -5.411 1.099 1.00 0.00 H new ATOM 999 N HIS A 70 82.676 -10.790 0.890 1.00 0.00 N ATOM 1000 CA HIS A 70 83.860 -11.554 0.506 1.00 0.00 C ATOM 1001 C HIS A 70 83.445 -12.921 -0.055 1.00 0.00 C ATOM 1002 O HIS A 70 82.710 -13.672 0.582 1.00 0.00 O ATOM 1003 CB HIS A 70 84.784 -11.729 1.726 1.00 0.00 C ATOM 1004 CG HIS A 70 86.205 -11.946 1.279 1.00 0.00 C ATOM 1005 ND1 HIS A 70 87.020 -10.898 0.883 1.00 0.00 N ATOM 1006 CD2 HIS A 70 86.966 -13.080 1.164 1.00 0.00 C ATOM 1007 CE1 HIS A 70 88.215 -11.419 0.552 1.00 0.00 C ATOM 1008 NE2 HIS A 70 88.235 -12.746 0.705 1.00 0.00 N ATOM 0 H HIS A 70 81.927 -11.347 1.302 1.00 0.00 H new ATOM 0 HA HIS A 70 84.401 -11.013 -0.270 1.00 0.00 H new ATOM 0 HB2 HIS A 70 84.727 -10.847 2.363 1.00 0.00 H new ATOM 0 HB3 HIS A 70 84.451 -12.577 2.325 1.00 0.00 H new ATOM 0 HD1 HIS A 70 86.761 -9.912 0.849 1.00 0.00 H new ATOM 0 HD2 HIS A 70 86.631 -14.080 1.395 1.00 0.00 H new ATOM 0 HE1 HIS A 70 89.055 -10.836 0.205 1.00 0.00 H new ATOM 1016 N GLN A 71 83.931 -13.236 -1.249 1.00 0.00 N ATOM 1017 CA GLN A 71 83.622 -14.514 -1.888 1.00 0.00 C ATOM 1018 C GLN A 71 82.115 -14.753 -2.022 1.00 0.00 C ATOM 1019 O GLN A 71 81.652 -15.872 -1.813 1.00 0.00 O ATOM 1020 CB GLN A 71 84.230 -15.656 -1.066 1.00 0.00 C ATOM 1021 CG GLN A 71 85.757 -15.587 -1.133 1.00 0.00 C ATOM 1022 CD GLN A 71 86.368 -16.649 -0.224 1.00 0.00 C ATOM 1023 OE1 GLN A 71 86.202 -16.595 0.997 1.00 0.00 O ATOM 1024 NE2 GLN A 71 87.070 -17.617 -0.745 1.00 0.00 N ATOM 0 H GLN A 71 84.540 -12.627 -1.796 1.00 0.00 H new ATOM 0 HA GLN A 71 84.048 -14.484 -2.891 1.00 0.00 H new ATOM 0 HB2 GLN A 71 83.899 -15.587 -0.030 1.00 0.00 H new ATOM 0 HB3 GLN A 71 83.883 -16.616 -1.448 1.00 0.00 H new ATOM 0 HG2 GLN A 71 86.091 -15.739 -2.159 1.00 0.00 H new ATOM 0 HG3 GLN A 71 86.098 -14.597 -0.830 1.00 0.00 H new ATOM 0 HE21 GLN A 71 87.207 -17.661 -1.755 1.00 0.00 H new ATOM 0 HE22 GLN A 71 87.482 -18.330 -0.143 1.00 0.00 H new ATOM 1033 N GLY A 72 81.346 -13.730 -2.403 1.00 0.00 N ATOM 1034 CA GLY A 72 79.903 -13.895 -2.588 1.00 0.00 C ATOM 1035 C GLY A 72 79.153 -13.965 -1.263 1.00 0.00 C ATOM 1036 O GLY A 72 77.924 -14.035 -1.243 1.00 0.00 O ATOM 0 H GLY A 72 81.694 -12.789 -2.588 1.00 0.00 H new ATOM 0 HA2 GLY A 72 79.517 -13.063 -3.177 1.00 0.00 H new ATOM 0 HA3 GLY A 72 79.714 -14.805 -3.158 1.00 0.00 H new ATOM 1040 N LYS A 73 79.890 -13.940 -0.158 1.00 0.00 N ATOM 1041 CA LYS A 73 79.276 -13.995 1.173 1.00 0.00 C ATOM 1042 C LYS A 73 79.292 -12.632 1.824 1.00 0.00 C ATOM 1043 O LYS A 73 80.149 -11.804 1.534 1.00 0.00 O ATOM 1044 CB LYS A 73 80.030 -14.974 2.067 1.00 0.00 C ATOM 1045 CG LYS A 73 79.674 -16.398 1.675 1.00 0.00 C ATOM 1046 CD LYS A 73 80.391 -17.352 2.612 1.00 0.00 C ATOM 1047 CE LYS A 73 80.077 -18.779 2.195 1.00 0.00 C ATOM 1048 NZ LYS A 73 78.640 -19.063 2.464 1.00 0.00 N1+ ATOM 0 H LYS A 73 80.908 -13.882 -0.152 1.00 0.00 H new ATOM 0 HA LYS A 73 78.245 -14.328 1.051 1.00 0.00 H new ATOM 0 HB2 LYS A 73 81.104 -14.817 1.971 1.00 0.00 H new ATOM 0 HB3 LYS A 73 79.775 -14.799 3.112 1.00 0.00 H new ATOM 0 HG2 LYS A 73 78.596 -16.548 1.734 1.00 0.00 H new ATOM 0 HG3 LYS A 73 79.966 -16.591 0.643 1.00 0.00 H new ATOM 0 HD2 LYS A 73 81.466 -17.177 2.578 1.00 0.00 H new ATOM 0 HD3 LYS A 73 80.073 -17.181 3.640 1.00 0.00 H new ATOM 0 HE2 LYS A 73 80.295 -18.917 1.136 1.00 0.00 H new ATOM 0 HE3 LYS A 73 80.707 -19.478 2.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 78.489 -20.092 2.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 78.369 -18.648 3.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 78.057 -18.648 1.710 1.00 0.00 H new ATOM 1062 N GLU A 74 78.311 -12.391 2.691 1.00 0.00 N ATOM 1063 CA GLU A 74 78.195 -11.102 3.374 1.00 0.00 C ATOM 1064 C GLU A 74 78.650 -11.219 4.824 1.00 0.00 C ATOM 1065 O GLU A 74 78.203 -12.099 5.560 1.00 0.00 O ATOM 1066 CB GLU A 74 76.741 -10.625 3.336 1.00 0.00 C ATOM 1067 CG GLU A 74 76.328 -10.356 1.889 1.00 0.00 C ATOM 1068 CD GLU A 74 74.859 -9.952 1.832 1.00 0.00 C ATOM 1069 OE1 GLU A 74 74.246 -9.876 2.883 1.00 0.00 O ATOM 1070 OE2 GLU A 74 74.372 -9.724 0.737 1.00 0.00 O1- ATOM 0 H GLU A 74 77.588 -13.067 2.937 1.00 0.00 H new ATOM 0 HA GLU A 74 78.833 -10.382 2.861 1.00 0.00 H new ATOM 0 HB2 GLU A 74 76.089 -11.379 3.777 1.00 0.00 H new ATOM 0 HB3 GLU A 74 76.629 -9.719 3.931 1.00 0.00 H new ATOM 0 HG2 GLU A 74 76.948 -9.565 1.466 1.00 0.00 H new ATOM 0 HG3 GLU A 74 76.492 -11.247 1.284 1.00 0.00 H new ATOM 1077 N TYR A 75 79.543 -10.316 5.229 1.00 0.00 N ATOM 1078 CA TYR A 75 80.065 -10.304 6.597 1.00 0.00 C ATOM 1079 C TYR A 75 79.691 -9.010 7.297 1.00 0.00 C ATOM 1080 O TYR A 75 79.074 -8.124 6.705 1.00 0.00 O ATOM 1081 CB TYR A 75 81.584 -10.443 6.590 1.00 0.00 C ATOM 1082 CG TYR A 75 81.966 -11.616 5.729 1.00 0.00 C ATOM 1083 CD1 TYR A 75 81.862 -11.512 4.343 1.00 0.00 C ATOM 1084 CD2 TYR A 75 82.421 -12.804 6.312 1.00 0.00 C ATOM 1085 CE1 TYR A 75 82.210 -12.592 3.536 1.00 0.00 C ATOM 1086 CE2 TYR A 75 82.773 -13.886 5.500 1.00 0.00 C ATOM 1087 CZ TYR A 75 82.668 -13.779 4.111 1.00 0.00 C ATOM 1088 OH TYR A 75 83.014 -14.845 3.308 1.00 0.00 O ATOM 0 H TYR A 75 79.921 -9.582 4.629 1.00 0.00 H new ATOM 0 HA TYR A 75 79.626 -11.146 7.131 1.00 0.00 H new ATOM 0 HB2 TYR A 75 82.043 -9.531 6.209 1.00 0.00 H new ATOM 0 HB3 TYR A 75 81.953 -10.586 7.606 1.00 0.00 H new ATOM 0 HD1 TYR A 75 81.512 -10.594 3.895 1.00 0.00 H new ATOM 0 HD2 TYR A 75 82.500 -12.885 7.386 1.00 0.00 H new ATOM 0 HE1 TYR A 75 82.125 -12.511 2.462 1.00 0.00 H new ATOM 0 HE2 TYR A 75 83.126 -14.804 5.946 1.00 0.00 H new ATOM 0 HH TYR A 75 83.064 -14.549 2.375 1.00 0.00 H new ATOM 1098 N ALA A 76 80.051 -8.920 8.568 1.00 0.00 N ATOM 1099 CA ALA A 76 79.739 -7.747 9.380 1.00 0.00 C ATOM 1100 C ALA A 76 81.020 -7.032 9.815 1.00 0.00 C ATOM 1101 O ALA A 76 82.106 -7.610 9.779 1.00 0.00 O ATOM 1102 CB ALA A 76 78.943 -8.216 10.608 1.00 0.00 C ATOM 0 H ALA A 76 80.563 -9.649 9.065 1.00 0.00 H new ATOM 0 HA ALA A 76 79.150 -7.039 8.797 1.00 0.00 H new ATOM 0 HB1 ALA A 76 78.697 -7.357 11.232 1.00 0.00 H new ATOM 0 HB2 ALA A 76 78.024 -8.702 10.282 1.00 0.00 H new ATOM 0 HB3 ALA A 76 79.543 -8.922 11.182 1.00 0.00 H new ATOM 1108 N PRO A 77 80.907 -5.799 10.238 1.00 0.00 N ATOM 1109 CA PRO A 77 82.079 -5.003 10.703 1.00 0.00 C ATOM 1110 C PRO A 77 82.777 -5.672 11.889 1.00 0.00 C ATOM 1111 O PRO A 77 82.129 -6.151 12.820 1.00 0.00 O ATOM 1112 CB PRO A 77 81.470 -3.640 11.099 1.00 0.00 C ATOM 1113 CG PRO A 77 80.009 -3.904 11.293 1.00 0.00 C ATOM 1114 CD PRO A 77 79.659 -5.022 10.318 1.00 0.00 C ATOM 0 HA PRO A 77 82.849 -4.909 9.938 1.00 0.00 H new ATOM 0 HB2 PRO A 77 81.925 -3.256 12.012 1.00 0.00 H new ATOM 0 HB3 PRO A 77 81.636 -2.894 10.322 1.00 0.00 H new ATOM 0 HG2 PRO A 77 79.798 -4.200 12.320 1.00 0.00 H new ATOM 0 HG3 PRO A 77 79.419 -3.010 11.091 1.00 0.00 H new ATOM 0 HD2 PRO A 77 78.829 -5.628 10.681 1.00 0.00 H new ATOM 0 HD3 PRO A 77 79.365 -4.630 9.344 1.00 0.00 H new ATOM 1122 N GLY A 78 84.103 -5.696 11.834 1.00 0.00 N ATOM 1123 CA GLY A 78 84.902 -6.303 12.893 1.00 0.00 C ATOM 1124 C GLY A 78 85.015 -7.813 12.697 1.00 0.00 C ATOM 1125 O GLY A 78 85.688 -8.499 13.466 1.00 0.00 O ATOM 0 H GLY A 78 84.649 -5.302 11.067 1.00 0.00 H new ATOM 0 HA2 GLY A 78 85.897 -5.859 12.903 1.00 0.00 H new ATOM 0 HA3 GLY A 78 84.449 -6.091 13.862 1.00 0.00 H new ATOM 1129 N GLU A 79 84.348 -8.326 11.665 1.00 0.00 N ATOM 1130 CA GLU A 79 84.376 -9.763 11.382 1.00 0.00 C ATOM 1131 C GLU A 79 85.625 -10.117 10.599 1.00 0.00 C ATOM 1132 O GLU A 79 86.032 -9.381 9.707 1.00 0.00 O ATOM 1133 CB GLU A 79 83.141 -10.171 10.570 1.00 0.00 C ATOM 1134 CG GLU A 79 83.019 -11.702 10.529 1.00 0.00 C ATOM 1135 CD GLU A 79 83.950 -12.298 9.476 1.00 0.00 C ATOM 1136 OE1 GLU A 79 84.549 -11.538 8.738 1.00 0.00 O ATOM 1137 OE2 GLU A 79 84.051 -13.513 9.424 1.00 0.00 O1- ATOM 0 H GLU A 79 83.786 -7.776 11.015 1.00 0.00 H new ATOM 0 HA GLU A 79 84.377 -10.299 12.331 1.00 0.00 H new ATOM 0 HB2 GLU A 79 82.245 -9.739 11.015 1.00 0.00 H new ATOM 0 HB3 GLU A 79 83.216 -9.777 9.556 1.00 0.00 H new ATOM 0 HG2 GLU A 79 83.260 -12.116 11.508 1.00 0.00 H new ATOM 0 HG3 GLU A 79 81.989 -11.982 10.309 1.00 0.00 H new ATOM 1144 N THR A 80 86.257 -11.230 10.976 1.00 0.00 N ATOM 1145 CA THR A 80 87.506 -11.662 10.348 1.00 0.00 C ATOM 1146 C THR A 80 87.293 -12.827 9.408 1.00 0.00 C ATOM 1147 O THR A 80 86.425 -13.677 9.614 1.00 0.00 O ATOM 1148 CB THR A 80 88.504 -12.095 11.437 1.00 0.00 C ATOM 1149 OG1 THR A 80 88.555 -13.515 11.515 1.00 0.00 O ATOM 1150 CG2 THR A 80 88.070 -11.556 12.795 1.00 0.00 C ATOM 0 H THR A 80 85.923 -11.849 11.715 1.00 0.00 H new ATOM 0 HA THR A 80 87.892 -10.819 9.774 1.00 0.00 H new ATOM 0 HB THR A 80 89.485 -11.698 11.176 1.00 0.00 H new ATOM 0 HG1 THR A 80 89.193 -13.782 12.209 1.00 0.00 H new ATOM 0 HG21 THR A 80 88.784 -11.870 13.556 1.00 0.00 H new ATOM 0 HG22 THR A 80 88.032 -10.467 12.759 1.00 0.00 H new ATOM 0 HG23 THR A 80 87.082 -11.945 13.042 1.00 0.00 H new ATOM 1158 N VAL A 81 88.140 -12.861 8.392 1.00 0.00 N ATOM 1159 CA VAL A 81 88.117 -13.924 7.409 1.00 0.00 C ATOM 1160 C VAL A 81 89.530 -14.283 7.068 1.00 0.00 C ATOM 1161 O VAL A 81 90.414 -13.427 7.080 1.00 0.00 O ATOM 1162 CB VAL A 81 87.376 -13.491 6.145 1.00 0.00 C ATOM 1163 CG1 VAL A 81 85.979 -13.025 6.529 1.00 0.00 C ATOM 1164 CG2 VAL A 81 88.117 -12.332 5.472 1.00 0.00 C ATOM 0 H VAL A 81 88.858 -12.155 8.229 1.00 0.00 H new ATOM 0 HA VAL A 81 87.592 -14.784 7.825 1.00 0.00 H new ATOM 0 HB VAL A 81 87.321 -14.332 5.454 1.00 0.00 H new ATOM 0 HG11 VAL A 81 85.441 -12.713 5.634 1.00 0.00 H new ATOM 0 HG12 VAL A 81 85.442 -13.843 7.009 1.00 0.00 H new ATOM 0 HG13 VAL A 81 86.053 -12.185 7.219 1.00 0.00 H new ATOM 0 HG21 VAL A 81 87.581 -12.031 4.572 1.00 0.00 H new ATOM 0 HG22 VAL A 81 88.174 -11.488 6.160 1.00 0.00 H new ATOM 0 HG23 VAL A 81 89.124 -12.651 5.204 1.00 0.00 H new ATOM 1174 N LYS A 82 89.766 -15.556 6.790 1.00 0.00 N ATOM 1175 CA LYS A 82 91.094 -16.025 6.475 1.00 0.00 C ATOM 1176 C LYS A 82 91.212 -16.206 4.956 1.00 0.00 C ATOM 1177 O LYS A 82 90.363 -16.852 4.340 1.00 0.00 O ATOM 1178 CB LYS A 82 91.288 -17.374 7.207 1.00 0.00 C ATOM 1179 CG LYS A 82 92.709 -17.511 7.752 1.00 0.00 C ATOM 1180 CD LYS A 82 93.700 -17.501 6.603 1.00 0.00 C ATOM 1181 CE LYS A 82 95.112 -17.638 7.168 1.00 0.00 C ATOM 1182 NZ LYS A 82 96.097 -17.621 6.054 1.00 0.00 N1+ ATOM 0 H LYS A 82 89.048 -16.280 6.778 1.00 0.00 H new ATOM 0 HA LYS A 82 91.859 -15.317 6.793 1.00 0.00 H new ATOM 0 HB2 LYS A 82 90.573 -17.452 8.026 1.00 0.00 H new ATOM 0 HB3 LYS A 82 91.078 -18.195 6.522 1.00 0.00 H new ATOM 0 HG2 LYS A 82 92.926 -16.693 8.439 1.00 0.00 H new ATOM 0 HG3 LYS A 82 92.804 -18.437 8.319 1.00 0.00 H new ATOM 0 HD2 LYS A 82 93.488 -18.319 5.915 1.00 0.00 H new ATOM 0 HD3 LYS A 82 93.609 -16.575 6.035 1.00 0.00 H new ATOM 0 HE2 LYS A 82 95.318 -16.823 7.862 1.00 0.00 H new ATOM 0 HE3 LYS A 82 95.201 -18.567 7.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 97.053 -17.475 6.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 96.062 -18.528 5.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 95.866 -16.848 5.398 1.00 0.00 H new ATOM 1196 N ILE A 83 92.256 -15.641 4.358 1.00 0.00 N ATOM 1197 CA ILE A 83 92.467 -15.757 2.911 1.00 0.00 C ATOM 1198 C ILE A 83 93.895 -16.221 2.634 1.00 0.00 C ATOM 1199 O ILE A 83 94.856 -15.530 2.967 1.00 0.00 O ATOM 1200 CB ILE A 83 92.225 -14.396 2.251 1.00 0.00 C ATOM 1201 CG1 ILE A 83 90.789 -13.949 2.544 1.00 0.00 C ATOM 1202 CG2 ILE A 83 92.418 -14.506 0.737 1.00 0.00 C ATOM 1203 CD1 ILE A 83 90.608 -12.487 2.136 1.00 0.00 C ATOM 0 H ILE A 83 92.969 -15.099 4.847 1.00 0.00 H new ATOM 0 HA ILE A 83 91.770 -16.487 2.499 1.00 0.00 H new ATOM 0 HB ILE A 83 92.934 -13.670 2.650 1.00 0.00 H new ATOM 0 HG12 ILE A 83 90.084 -14.578 2.000 1.00 0.00 H new ATOM 0 HG13 ILE A 83 90.570 -14.070 3.605 1.00 0.00 H new ATOM 0 HG21 ILE A 83 92.244 -13.534 0.276 1.00 0.00 H new ATOM 0 HG22 ILE A 83 93.436 -14.832 0.523 1.00 0.00 H new ATOM 0 HG23 ILE A 83 91.712 -15.231 0.332 1.00 0.00 H new ATOM 0 HD11 ILE A 83 89.585 -12.174 2.347 1.00 0.00 H new ATOM 0 HD12 ILE A 83 91.301 -11.863 2.700 1.00 0.00 H new ATOM 0 HD13 ILE A 83 90.808 -12.379 1.070 1.00 0.00 H new ATOM 1215 N GLY A 84 94.033 -17.396 2.023 1.00 0.00 N ATOM 1216 CA GLY A 84 95.356 -17.928 1.717 1.00 0.00 C ATOM 1217 C GLY A 84 96.207 -18.033 2.984 1.00 0.00 C ATOM 1218 O GLY A 84 95.872 -18.770 3.911 1.00 0.00 O ATOM 0 H GLY A 84 93.256 -17.990 1.734 1.00 0.00 H new ATOM 0 HA2 GLY A 84 95.260 -18.911 1.256 1.00 0.00 H new ATOM 0 HA3 GLY A 84 95.853 -17.283 0.992 1.00 0.00 H new ATOM 1222 N CYS A 85 97.316 -17.292 3.006 1.00 0.00 N ATOM 1223 CA CYS A 85 98.233 -17.295 4.152 1.00 0.00 C ATOM 1224 C CYS A 85 98.025 -16.035 5.005 1.00 0.00 C ATOM 1225 O CYS A 85 98.718 -15.821 6.000 1.00 0.00 O ATOM 1226 CB CYS A 85 99.684 -17.382 3.631 1.00 0.00 C ATOM 1227 SG CYS A 85 100.594 -18.676 4.521 1.00 0.00 S ATOM 0 H CYS A 85 97.603 -16.680 2.242 1.00 0.00 H new ATOM 0 HA CYS A 85 98.031 -18.158 4.786 1.00 0.00 H new ATOM 0 HB2 CYS A 85 99.682 -17.598 2.563 1.00 0.00 H new ATOM 0 HB3 CYS A 85 100.183 -16.422 3.761 1.00 0.00 H new ATOM 1232 N ASN A 86 97.060 -15.209 4.602 1.00 0.00 N ATOM 1233 CA ASN A 86 96.743 -13.966 5.317 1.00 0.00 C ATOM 1234 C ASN A 86 95.259 -13.907 5.685 1.00 0.00 C ATOM 1235 O ASN A 86 94.431 -14.618 5.121 1.00 0.00 O ATOM 1236 CB ASN A 86 97.112 -12.762 4.446 1.00 0.00 C ATOM 1237 CG ASN A 86 96.692 -13.005 3.004 1.00 0.00 C ATOM 1238 OD1 ASN A 86 95.519 -13.263 2.729 1.00 0.00 O ATOM 1239 ND2 ASN A 86 97.588 -12.934 2.060 1.00 0.00 N ATOM 0 H ASN A 86 96.480 -15.377 3.780 1.00 0.00 H new ATOM 0 HA ASN A 86 97.323 -13.942 6.239 1.00 0.00 H new ATOM 0 HB2 ASN A 86 96.624 -11.865 4.828 1.00 0.00 H new ATOM 0 HB3 ASN A 86 98.187 -12.585 4.494 1.00 0.00 H new ATOM 0 HD21 ASN A 86 97.319 -13.092 1.089 1.00 0.00 H new ATOM 0 HD22 ASN A 86 98.558 -12.720 2.292 1.00 0.00 H new ATOM 1246 N THR A 87 94.953 -13.020 6.635 1.00 0.00 N ATOM 1247 CA THR A 87 93.577 -12.814 7.113 1.00 0.00 C ATOM 1248 C THR A 87 93.202 -11.354 7.061 1.00 0.00 C ATOM 1249 O THR A 87 94.063 -10.479 7.032 1.00 0.00 O ATOM 1250 CB THR A 87 93.411 -13.340 8.544 1.00 0.00 C ATOM 1251 OG1 THR A 87 92.055 -13.699 8.755 1.00 0.00 O ATOM 1252 CG2 THR A 87 93.817 -12.284 9.582 1.00 0.00 C ATOM 0 H THR A 87 95.644 -12.427 7.094 1.00 0.00 H new ATOM 0 HA THR A 87 92.912 -13.372 6.453 1.00 0.00 H new ATOM 0 HB THR A 87 94.061 -14.207 8.665 1.00 0.00 H new ATOM 0 HG1 THR A 87 91.537 -13.509 7.945 1.00 0.00 H new ATOM 0 HG21 THR A 87 93.687 -12.691 10.585 1.00 0.00 H new ATOM 0 HG22 THR A 87 94.862 -12.011 9.434 1.00 0.00 H new ATOM 0 HG23 THR A 87 93.191 -11.399 9.465 1.00 0.00 H new ATOM 1260 N CYS A 88 91.896 -11.105 7.015 1.00 0.00 N ATOM 1261 CA CYS A 88 91.408 -9.739 6.922 1.00 0.00 C ATOM 1262 C CYS A 88 90.185 -9.525 7.774 1.00 0.00 C ATOM 1263 O CYS A 88 89.526 -10.476 8.184 1.00 0.00 O ATOM 1264 CB CYS A 88 91.076 -9.419 5.466 1.00 0.00 C ATOM 1265 SG CYS A 88 92.300 -10.197 4.384 1.00 0.00 S ATOM 0 H CYS A 88 91.170 -11.821 7.040 1.00 0.00 H new ATOM 0 HA CYS A 88 92.191 -9.075 7.287 1.00 0.00 H new ATOM 0 HB2 CYS A 88 90.077 -9.780 5.222 1.00 0.00 H new ATOM 0 HB3 CYS A 88 91.072 -8.340 5.311 1.00 0.00 H new ATOM 1270 N VAL A 89 89.887 -8.253 8.026 1.00 0.00 N ATOM 1271 CA VAL A 89 88.729 -7.896 8.833 1.00 0.00 C ATOM 1272 C VAL A 89 87.948 -6.748 8.194 1.00 0.00 C ATOM 1273 O VAL A 89 88.528 -5.814 7.637 1.00 0.00 O ATOM 1274 CB VAL A 89 89.187 -7.508 10.251 1.00 0.00 C ATOM 1275 CG1 VAL A 89 89.598 -6.037 10.298 1.00 0.00 C ATOM 1276 CG2 VAL A 89 88.060 -7.752 11.244 1.00 0.00 C ATOM 0 H VAL A 89 90.429 -7.459 7.685 1.00 0.00 H new ATOM 0 HA VAL A 89 88.066 -8.759 8.892 1.00 0.00 H new ATOM 0 HB VAL A 89 90.047 -8.123 10.517 1.00 0.00 H new ATOM 0 HG11 VAL A 89 89.919 -5.781 11.308 1.00 0.00 H new ATOM 0 HG12 VAL A 89 90.419 -5.866 9.602 1.00 0.00 H new ATOM 0 HG13 VAL A 89 88.749 -5.413 10.018 1.00 0.00 H new ATOM 0 HG21 VAL A 89 88.391 -7.475 12.245 1.00 0.00 H new ATOM 0 HG22 VAL A 89 87.195 -7.149 10.968 1.00 0.00 H new ATOM 0 HG23 VAL A 89 87.786 -8.807 11.231 1.00 0.00 H new ATOM 1286 N CYS A 90 86.626 -6.826 8.302 1.00 0.00 N ATOM 1287 CA CYS A 90 85.739 -5.802 7.765 1.00 0.00 C ATOM 1288 C CYS A 90 85.855 -4.521 8.576 1.00 0.00 C ATOM 1289 O CYS A 90 85.344 -4.424 9.693 1.00 0.00 O ATOM 1290 CB CYS A 90 84.301 -6.310 7.826 1.00 0.00 C ATOM 1291 SG CYS A 90 83.176 -5.034 7.218 1.00 0.00 S ATOM 0 H CYS A 90 86.142 -7.597 8.762 1.00 0.00 H new ATOM 0 HA CYS A 90 86.021 -5.591 6.733 1.00 0.00 H new ATOM 0 HB2 CYS A 90 84.199 -7.214 7.226 1.00 0.00 H new ATOM 0 HB3 CYS A 90 84.043 -6.577 8.851 1.00 0.00 H new ATOM 1296 N ARG A 91 86.524 -3.539 7.991 1.00 0.00 N ATOM 1297 CA ARG A 91 86.718 -2.243 8.627 1.00 0.00 C ATOM 1298 C ARG A 91 86.512 -1.135 7.602 1.00 0.00 C ATOM 1299 O ARG A 91 87.172 -1.108 6.563 1.00 0.00 O ATOM 1300 CB ARG A 91 88.151 -2.157 9.197 1.00 0.00 C ATOM 1301 CG ARG A 91 88.206 -2.748 10.626 1.00 0.00 C ATOM 1302 CD ARG A 91 87.958 -1.648 11.663 1.00 0.00 C ATOM 1303 NE ARG A 91 86.624 -1.082 11.487 1.00 0.00 N ATOM 1304 CZ ARG A 91 85.550 -1.674 12.000 1.00 0.00 C ATOM 1305 NH1 ARG A 91 85.677 -2.784 12.673 1.00 0.00 N ATOM 1306 NH2 ARG A 91 84.369 -1.147 11.826 1.00 0.00 N1+ ATOM 0 H ARG A 91 86.946 -3.616 7.066 1.00 0.00 H new ATOM 0 HA ARG A 91 85.997 -2.126 9.436 1.00 0.00 H new ATOM 0 HB2 ARG A 91 88.839 -2.698 8.547 1.00 0.00 H new ATOM 0 HB3 ARG A 91 88.479 -1.118 9.215 1.00 0.00 H new ATOM 0 HG2 ARG A 91 87.457 -3.533 10.732 1.00 0.00 H new ATOM 0 HG3 ARG A 91 89.178 -3.209 10.800 1.00 0.00 H new ATOM 0 HD2 ARG A 91 88.058 -2.057 12.669 1.00 0.00 H new ATOM 0 HD3 ARG A 91 88.710 -0.865 11.561 1.00 0.00 H new ATOM 0 HE ARG A 91 86.514 -0.216 10.960 1.00 0.00 H new ATOM 0 HH11 ARG A 91 86.600 -3.197 12.805 1.00 0.00 H new ATOM 0 HH12 ARG A 91 84.853 -3.239 13.067 1.00 0.00 H new ATOM 0 HH21 ARG A 91 84.270 -0.281 11.296 1.00 0.00 H new ATOM 0 HH22 ARG A 91 83.545 -1.601 12.220 1.00 0.00 H new ATOM 1320 N ASP A 92 85.575 -0.242 7.894 1.00 0.00 N ATOM 1321 CA ASP A 92 85.261 0.854 6.993 1.00 0.00 C ATOM 1322 C ASP A 92 84.795 0.318 5.651 1.00 0.00 C ATOM 1323 O ASP A 92 85.302 0.712 4.600 1.00 0.00 O ATOM 1324 CB ASP A 92 86.463 1.785 6.804 1.00 0.00 C ATOM 1325 CG ASP A 92 86.748 2.529 8.103 1.00 0.00 C ATOM 1326 OD1 ASP A 92 85.918 2.462 8.995 1.00 0.00 O ATOM 1327 OD2 ASP A 92 87.792 3.155 8.188 1.00 0.00 O1- ATOM 0 H ASP A 92 85.020 -0.257 8.750 1.00 0.00 H new ATOM 0 HA ASP A 92 84.455 1.434 7.443 1.00 0.00 H new ATOM 0 HB2 ASP A 92 87.338 1.208 6.505 1.00 0.00 H new ATOM 0 HB3 ASP A 92 86.261 2.496 6.003 1.00 0.00 H new ATOM 1332 N ARG A 93 83.812 -0.578 5.700 1.00 0.00 N ATOM 1333 CA ARG A 93 83.256 -1.157 4.483 1.00 0.00 C ATOM 1334 C ARG A 93 84.347 -1.776 3.621 1.00 0.00 C ATOM 1335 O ARG A 93 84.112 -2.096 2.455 1.00 0.00 O ATOM 1336 CB ARG A 93 82.546 -0.061 3.690 1.00 0.00 C ATOM 1337 CG ARG A 93 81.255 0.337 4.402 1.00 0.00 C ATOM 1338 CD ARG A 93 80.681 1.589 3.738 1.00 0.00 C ATOM 1339 NE ARG A 93 80.425 1.335 2.322 1.00 0.00 N ATOM 1340 CZ ARG A 93 80.544 2.295 1.406 1.00 0.00 C ATOM 1341 NH1 ARG A 93 80.886 3.505 1.756 1.00 0.00 N ATOM 1342 NH2 ARG A 93 80.320 2.020 0.150 1.00 0.00 N1+ ATOM 0 H ARG A 93 83.388 -0.916 6.564 1.00 0.00 H new ATOM 0 HA ARG A 93 82.553 -1.942 4.761 1.00 0.00 H new ATOM 0 HB2 ARG A 93 83.198 0.807 3.587 1.00 0.00 H new ATOM 0 HB3 ARG A 93 82.323 -0.414 2.683 1.00 0.00 H new ATOM 0 HG2 ARG A 93 80.533 -0.478 4.354 1.00 0.00 H new ATOM 0 HG3 ARG A 93 81.451 0.528 5.457 1.00 0.00 H new ATOM 0 HD2 ARG A 93 79.757 1.882 4.236 1.00 0.00 H new ATOM 0 HD3 ARG A 93 81.379 2.419 3.846 1.00 0.00 H new ATOM 0 HE ARG A 93 80.148 0.399 2.027 1.00 0.00 H new ATOM 0 HH11 ARG A 93 81.064 3.721 2.737 1.00 0.00 H new ATOM 0 HH12 ARG A 93 80.975 4.235 1.049 1.00 0.00 H new ATOM 0 HH21 ARG A 93 80.055 1.074 -0.126 1.00 0.00 H new ATOM 0 HH22 ARG A 93 80.409 2.751 -0.556 1.00 0.00 H new ATOM 1356 N LYS A 94 85.545 -1.930 4.180 1.00 0.00 N ATOM 1357 CA LYS A 94 86.663 -2.501 3.437 1.00 0.00 C ATOM 1358 C LYS A 94 87.341 -3.554 4.292 1.00 0.00 C ATOM 1359 O LYS A 94 87.222 -3.540 5.514 1.00 0.00 O ATOM 1360 CB LYS A 94 87.660 -1.394 3.083 1.00 0.00 C ATOM 1361 CG LYS A 94 88.658 -1.914 2.049 1.00 0.00 C ATOM 1362 CD LYS A 94 89.586 -0.777 1.613 1.00 0.00 C ATOM 1363 CE LYS A 94 90.576 -1.300 0.570 1.00 0.00 C ATOM 1364 NZ LYS A 94 89.839 -2.079 -0.467 1.00 0.00 N1+ ATOM 0 H LYS A 94 85.765 -1.668 5.141 1.00 0.00 H new ATOM 0 HA LYS A 94 86.300 -2.960 2.517 1.00 0.00 H new ATOM 0 HB2 LYS A 94 87.131 -0.527 2.688 1.00 0.00 H new ATOM 0 HB3 LYS A 94 88.187 -1.065 3.979 1.00 0.00 H new ATOM 0 HG2 LYS A 94 89.242 -2.732 2.472 1.00 0.00 H new ATOM 0 HG3 LYS A 94 88.127 -2.315 1.186 1.00 0.00 H new ATOM 0 HD2 LYS A 94 89.002 0.044 1.197 1.00 0.00 H new ATOM 0 HD3 LYS A 94 90.124 -0.381 2.475 1.00 0.00 H new ATOM 0 HE2 LYS A 94 91.106 -0.468 0.107 1.00 0.00 H new ATOM 0 HE3 LYS A 94 91.326 -1.930 1.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 90.396 -2.102 -1.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 89.687 -3.050 -0.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 88.920 -1.629 -0.651 1.00 0.00 H new ATOM 1378 N TRP A 95 88.056 -4.462 3.648 1.00 0.00 N ATOM 1379 CA TRP A 95 88.758 -5.521 4.361 1.00 0.00 C ATOM 1380 C TRP A 95 90.185 -5.081 4.653 1.00 0.00 C ATOM 1381 O TRP A 95 90.877 -4.573 3.771 1.00 0.00 O ATOM 1382 CB TRP A 95 88.753 -6.783 3.501 1.00 0.00 C ATOM 1383 CG TRP A 95 87.383 -7.380 3.504 1.00 0.00 C ATOM 1384 CD1 TRP A 95 86.472 -7.241 2.514 1.00 0.00 C ATOM 1385 CD2 TRP A 95 86.755 -8.206 4.526 1.00 0.00 C ATOM 1386 NE1 TRP A 95 85.326 -7.932 2.862 1.00 0.00 N ATOM 1387 CE2 TRP A 95 85.454 -8.549 4.087 1.00 0.00 C ATOM 1388 CE3 TRP A 95 87.180 -8.695 5.777 1.00 0.00 C ATOM 1389 CZ2 TRP A 95 84.607 -9.342 4.855 1.00 0.00 C ATOM 1390 CZ3 TRP A 95 86.325 -9.497 6.552 1.00 0.00 C ATOM 1391 CH2 TRP A 95 85.044 -9.822 6.088 1.00 0.00 C ATOM 0 H TRP A 95 88.167 -4.489 2.634 1.00 0.00 H new ATOM 0 HA TRP A 95 88.260 -5.730 5.308 1.00 0.00 H new ATOM 0 HB2 TRP A 95 89.055 -6.543 2.482 1.00 0.00 H new ATOM 0 HB3 TRP A 95 89.476 -7.502 3.886 1.00 0.00 H new ATOM 0 HD1 TRP A 95 86.616 -6.682 1.601 1.00 0.00 H new ATOM 0 HE1 TRP A 95 84.488 -7.979 2.282 1.00 0.00 H new ATOM 0 HE3 TRP A 95 88.167 -8.452 6.142 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 83.617 -9.584 4.498 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 86.658 -9.865 7.511 1.00 0.00 H new ATOM 0 HH2 TRP A 95 84.395 -10.445 6.686 1.00 0.00 H new ATOM 1402 N ASN A 96 90.631 -5.295 5.890 1.00 0.00 N ATOM 1403 CA ASN A 96 91.999 -4.931 6.276 1.00 0.00 C ATOM 1404 C ASN A 96 92.834 -6.203 6.385 1.00 0.00 C ATOM 1405 O ASN A 96 92.840 -6.863 7.423 1.00 0.00 O ATOM 1406 CB ASN A 96 91.982 -4.184 7.624 1.00 0.00 C ATOM 1407 CG ASN A 96 93.173 -3.235 7.731 1.00 0.00 C ATOM 1408 OD1 ASN A 96 94.289 -3.662 8.034 1.00 0.00 O ATOM 1409 ND2 ASN A 96 92.996 -1.963 7.499 1.00 0.00 N ATOM 0 H ASN A 96 90.075 -5.713 6.636 1.00 0.00 H new ATOM 0 HA ASN A 96 92.435 -4.273 5.524 1.00 0.00 H new ATOM 0 HB2 ASN A 96 91.053 -3.622 7.722 1.00 0.00 H new ATOM 0 HB3 ASN A 96 92.008 -4.902 8.444 1.00 0.00 H new ATOM 0 HD21 ASN A 96 93.783 -1.318 7.568 1.00 0.00 H new ATOM 0 HD22 ASN A 96 92.071 -1.614 7.249 1.00 0.00 H new ATOM 1416 N CYS A 97 93.523 -6.548 5.303 1.00 0.00 N ATOM 1417 CA CYS A 97 94.336 -7.758 5.279 1.00 0.00 C ATOM 1418 C CYS A 97 95.691 -7.523 5.924 1.00 0.00 C ATOM 1419 O CYS A 97 96.354 -6.517 5.667 1.00 0.00 O ATOM 1420 CB CYS A 97 94.515 -8.222 3.832 1.00 0.00 C ATOM 1421 SG CYS A 97 92.907 -8.708 3.162 1.00 0.00 S ATOM 0 H CYS A 97 93.535 -6.011 4.436 1.00 0.00 H new ATOM 0 HA CYS A 97 93.824 -8.531 5.852 1.00 0.00 H new ATOM 0 HB2 CYS A 97 94.946 -7.421 3.231 1.00 0.00 H new ATOM 0 HB3 CYS A 97 95.209 -9.061 3.790 1.00 0.00 H new ATOM 1426 N THR A 98 96.101 -8.471 6.767 1.00 0.00 N ATOM 1427 CA THR A 98 97.385 -8.386 7.461 1.00 0.00 C ATOM 1428 C THR A 98 98.523 -8.413 6.473 1.00 0.00 C ATOM 1429 O THR A 98 99.412 -7.562 6.471 1.00 0.00 O ATOM 1430 CB THR A 98 97.505 -9.575 8.413 1.00 0.00 C ATOM 1431 OG1 THR A 98 98.752 -9.525 9.091 1.00 0.00 O ATOM 1432 CG2 THR A 98 97.379 -10.905 7.654 1.00 0.00 C ATOM 0 H THR A 98 95.561 -9.308 6.986 1.00 0.00 H new ATOM 0 HA THR A 98 97.434 -7.450 8.017 1.00 0.00 H new ATOM 0 HB THR A 98 96.693 -9.516 9.137 1.00 0.00 H new ATOM 0 HG1 THR A 98 98.760 -10.190 9.811 1.00 0.00 H new ATOM 0 HG21 THR A 98 97.468 -11.734 8.356 1.00 0.00 H new ATOM 0 HG22 THR A 98 96.409 -10.951 7.159 1.00 0.00 H new ATOM 0 HG23 THR A 98 98.171 -10.975 6.908 1.00 0.00 H new ATOM 1440 N ASP A 99 98.459 -9.418 5.656 1.00 0.00 N ATOM 1441 CA ASP A 99 99.454 -9.658 4.621 1.00 0.00 C ATOM 1442 C ASP A 99 100.798 -10.064 5.231 1.00 0.00 C ATOM 1443 O ASP A 99 101.837 -9.989 4.575 1.00 0.00 O ATOM 1444 CB ASP A 99 99.637 -8.404 3.759 1.00 0.00 C ATOM 1445 CG ASP A 99 100.317 -8.769 2.444 1.00 0.00 C ATOM 1446 OD1 ASP A 99 100.910 -9.835 2.383 1.00 0.00 O ATOM 1447 OD2 ASP A 99 100.234 -7.981 1.518 1.00 0.00 O1- ATOM 0 H ASP A 99 97.711 -10.111 5.678 1.00 0.00 H new ATOM 0 HA ASP A 99 99.096 -10.477 3.997 1.00 0.00 H new ATOM 0 HB2 ASP A 99 98.669 -7.944 3.562 1.00 0.00 H new ATOM 0 HB3 ASP A 99 100.236 -7.668 4.296 1.00 0.00 H new ATOM 1452 N HIS A 100 100.762 -10.504 6.484 1.00 0.00 N ATOM 1453 CA HIS A 100 101.970 -10.933 7.186 1.00 0.00 C ATOM 1454 C HIS A 100 102.650 -12.093 6.458 1.00 0.00 C ATOM 1455 O HIS A 100 102.098 -12.657 5.513 1.00 0.00 O ATOM 1456 CB HIS A 100 101.614 -11.361 8.613 1.00 0.00 C ATOM 1457 CG HIS A 100 100.805 -12.634 8.582 1.00 0.00 C ATOM 1458 ND1 HIS A 100 101.265 -13.789 7.969 1.00 0.00 N ATOM 1459 CD2 HIS A 100 99.568 -12.948 9.086 1.00 0.00 C ATOM 1460 CE1 HIS A 100 100.321 -14.734 8.119 1.00 0.00 C ATOM 1461 NE2 HIS A 100 99.265 -14.274 8.792 1.00 0.00 N ATOM 0 H HIS A 100 99.908 -10.574 7.037 1.00 0.00 H new ATOM 0 HA HIS A 100 102.663 -10.092 7.214 1.00 0.00 H new ATOM 0 HB2 HIS A 100 102.524 -11.512 9.194 1.00 0.00 H new ATOM 0 HB3 HIS A 100 101.047 -10.572 9.108 1.00 0.00 H new ATOM 0 HD1 HIS A 100 102.159 -13.902 7.490 1.00 0.00 H new ATOM 0 HD2 HIS A 100 98.927 -12.269 9.629 1.00 0.00 H new ATOM 0 HE1 HIS A 100 100.407 -15.742 7.741 1.00 0.00 H new ATOM 1469 N VAL A 101 103.854 -12.444 6.910 1.00 0.00 N ATOM 1470 CA VAL A 101 104.602 -13.538 6.298 1.00 0.00 C ATOM 1471 C VAL A 101 103.767 -14.808 6.293 1.00 0.00 C ATOM 1472 O VAL A 101 103.135 -15.152 7.291 1.00 0.00 O ATOM 1473 CB VAL A 101 105.893 -13.795 7.075 1.00 0.00 C ATOM 1474 CG1 VAL A 101 106.686 -14.919 6.403 1.00 0.00 C ATOM 1475 CG2 VAL A 101 106.733 -12.523 7.098 1.00 0.00 C ATOM 0 H VAL A 101 104.328 -11.990 7.691 1.00 0.00 H new ATOM 0 HA VAL A 101 104.843 -13.256 5.273 1.00 0.00 H new ATOM 0 HB VAL A 101 105.647 -14.089 8.096 1.00 0.00 H new ATOM 0 HG11 VAL A 101 107.605 -15.099 6.960 1.00 0.00 H new ATOM 0 HG12 VAL A 101 106.086 -15.829 6.389 1.00 0.00 H new ATOM 0 HG13 VAL A 101 106.932 -14.630 5.381 1.00 0.00 H new ATOM 0 HG21 VAL A 101 107.654 -12.705 7.652 1.00 0.00 H new ATOM 0 HG22 VAL A 101 106.976 -12.229 6.077 1.00 0.00 H new ATOM 0 HG23 VAL A 101 106.171 -11.724 7.582 1.00 0.00 H new ATOM 1485 N CYS A 102 103.766 -15.496 5.162 1.00 0.00 N ATOM 1486 CA CYS A 102 103.000 -16.725 5.029 1.00 0.00 C ATOM 1487 C CYS A 102 103.510 -17.787 5.991 1.00 0.00 C ATOM 1488 O CYS A 102 104.119 -18.776 5.585 1.00 0.00 O ATOM 1489 CB CYS A 102 103.088 -17.238 3.598 1.00 0.00 C ATOM 1490 SG CYS A 102 102.321 -18.874 3.488 1.00 0.00 S ATOM 0 H CYS A 102 104.285 -15.226 4.326 1.00 0.00 H new ATOM 0 HA CYS A 102 101.960 -16.510 5.273 1.00 0.00 H new ATOM 0 HB2 CYS A 102 102.588 -16.545 2.922 1.00 0.00 H new ATOM 0 HB3 CYS A 102 104.131 -17.293 3.285 1.00 0.00 H new ATOM 1495 N ASP A 103 103.250 -17.567 7.269 1.00 0.00 N ATOM 1496 CA ASP A 103 103.678 -18.503 8.303 1.00 0.00 C ATOM 1497 C ASP A 103 103.331 -19.934 7.906 1.00 0.00 C ATOM 1498 O ASP A 103 104.240 -20.742 7.822 1.00 0.00 O ATOM 1499 CB ASP A 103 103.000 -18.165 9.634 1.00 0.00 C ATOM 1500 CG ASP A 103 103.529 -19.083 10.731 1.00 0.00 C ATOM 1501 OD1 ASP A 103 104.266 -19.999 10.407 1.00 0.00 O ATOM 1502 OD2 ASP A 103 103.189 -18.855 11.881 1.00 0.00 O1- ATOM 1503 OXT ASP A 103 102.159 -20.199 7.690 1.00 0.00 O ATOM 0 H ASP A 103 102.746 -16.752 7.618 1.00 0.00 H new ATOM 0 HA ASP A 103 104.759 -18.418 8.415 1.00 0.00 H new ATOM 0 HB2 ASP A 103 103.190 -17.124 9.895 1.00 0.00 H new ATOM 0 HB3 ASP A 103 101.920 -18.279 9.542 1.00 0.00 H new TER 1508 ASP A 103