USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 737 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 30 CYS SG : rot -76:sc= 1.05 USER MOD Set 1.2: A 79 CYS SG : rot -169:sc= 1.13 USER MOD Set 2.1: A 57 GLN : amide:sc= 0.979 K(o=-2.2,f=-4.3) USER MOD Set 2.2: A 62 CYS SG : rot -90:sc= -3.23 USER MOD Single : A 1 GLY N :NH3+ -142:sc= 0.0354 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 33:sc= 0.0877 USER MOD Single : A 10 LYS NZ :NH3+ -130:sc= 0.109 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -0.499 X(o=-0.5,f=-0.23) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 MET CE :methyl 161:sc= -1.01 (180deg=-1.78) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN :FLIP amide:sc= -0.715 F(o=-1.6,f=-0.71) USER MOD Single : A 53 TYR OH : rot 180:sc= -0.199 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.0025 USER MOD Single : A 65 GLN : amide:sc= -0.0326 K(o=-0.033,f=-0.74) USER MOD Single : A 67 CYS SG : rot 180:sc= -1.09 USER MOD Single : A 71 MET CE :methyl 165:sc= -0.851 (180deg=-0.999) USER MOD Single : A 77 TYR OH : rot -19:sc= -0.293 USER MOD Single : A 81 CYS SG : rot -50:sc= -3.8! USER MOD Single : A 83 GLN : amide:sc=-0.00181 X(o=-0.0018,f=0) USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.532! USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 44:sc= 0.327 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 5.717 35.040 -9.529 1.00 0.00 N ATOM 2 CA GLY A 1 4.624 34.245 -9.002 1.00 0.00 C ATOM 3 C GLY A 1 4.959 33.611 -7.667 1.00 0.00 C ATOM 4 O GLY A 1 5.748 34.154 -6.894 1.00 0.00 O ATOM 0 H1 GLY A 1 5.336 35.891 -9.990 1.00 0.00 H new ATOM 0 H2 GLY A 1 6.348 35.321 -8.752 1.00 0.00 H new ATOM 0 H3 GLY A 1 6.251 34.479 -10.223 1.00 0.00 H new ATOM 0 HA2 GLY A 1 3.742 34.875 -8.890 1.00 0.00 H new ATOM 0 HA3 GLY A 1 4.369 33.464 -9.718 1.00 0.00 H new ATOM 8 N SER A 2 4.357 32.458 -7.393 1.00 0.00 N ATOM 9 CA SER A 2 4.591 31.752 -6.139 1.00 0.00 C ATOM 10 C SER A 2 5.712 30.728 -6.293 1.00 0.00 C ATOM 11 O SER A 2 5.548 29.708 -6.963 1.00 0.00 O ATOM 12 CB SER A 2 3.310 31.056 -5.673 1.00 0.00 C ATOM 13 OG SER A 2 3.544 30.284 -4.508 1.00 0.00 O ATOM 0 H SER A 2 3.703 31.993 -8.023 1.00 0.00 H new ATOM 0 HA SER A 2 4.891 32.484 -5.390 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.541 31.801 -5.471 1.00 0.00 H new ATOM 0 HB3 SER A 2 2.931 30.414 -6.468 1.00 0.00 H new ATOM 0 HG SER A 2 2.710 29.851 -4.230 1.00 0.00 H new ATOM 19 N SER A 3 6.851 31.008 -5.669 1.00 0.00 N ATOM 20 CA SER A 3 8.001 30.115 -5.739 1.00 0.00 C ATOM 21 C SER A 3 8.208 29.390 -4.413 1.00 0.00 C ATOM 22 O SER A 3 8.923 29.870 -3.534 1.00 0.00 O ATOM 23 CB SER A 3 9.262 30.900 -6.106 1.00 0.00 C ATOM 24 OG SER A 3 9.195 31.379 -7.438 1.00 0.00 O ATOM 0 H SER A 3 7.002 31.847 -5.109 1.00 0.00 H new ATOM 0 HA SER A 3 7.806 29.372 -6.513 1.00 0.00 H new ATOM 0 HB2 SER A 3 9.385 31.739 -5.420 1.00 0.00 H new ATOM 0 HB3 SER A 3 10.138 30.262 -5.989 1.00 0.00 H new ATOM 0 HG SER A 3 10.012 31.879 -7.647 1.00 0.00 H new ATOM 30 N GLY A 4 7.575 28.228 -4.275 1.00 0.00 N ATOM 31 CA GLY A 4 7.702 27.455 -3.053 1.00 0.00 C ATOM 32 C GLY A 4 8.478 26.170 -3.259 1.00 0.00 C ATOM 33 O GLY A 4 8.340 25.511 -4.289 1.00 0.00 O ATOM 0 H GLY A 4 6.977 27.809 -4.987 1.00 0.00 H new ATOM 0 HA2 GLY A 4 8.200 28.059 -2.295 1.00 0.00 H new ATOM 0 HA3 GLY A 4 6.709 27.219 -2.671 1.00 0.00 H new ATOM 37 N SER A 5 9.299 25.812 -2.276 1.00 0.00 N ATOM 38 CA SER A 5 10.105 24.600 -2.356 1.00 0.00 C ATOM 39 C SER A 5 9.245 23.360 -2.128 1.00 0.00 C ATOM 40 O SER A 5 9.391 22.354 -2.823 1.00 0.00 O ATOM 41 CB SER A 5 11.236 24.646 -1.328 1.00 0.00 C ATOM 42 OG SER A 5 11.838 23.372 -1.174 1.00 0.00 O ATOM 0 H SER A 5 9.423 26.345 -1.415 1.00 0.00 H new ATOM 0 HA SER A 5 10.535 24.544 -3.356 1.00 0.00 H new ATOM 0 HB2 SER A 5 11.987 25.371 -1.641 1.00 0.00 H new ATOM 0 HB3 SER A 5 10.846 24.986 -0.369 1.00 0.00 H new ATOM 0 HG SER A 5 12.559 23.429 -0.513 1.00 0.00 H new ATOM 48 N SER A 6 8.349 23.441 -1.150 1.00 0.00 N ATOM 49 CA SER A 6 7.468 22.325 -0.827 1.00 0.00 C ATOM 50 C SER A 6 6.005 22.717 -1.009 1.00 0.00 C ATOM 51 O SER A 6 5.561 23.750 -0.510 1.00 0.00 O ATOM 52 CB SER A 6 7.707 21.858 0.610 1.00 0.00 C ATOM 53 OG SER A 6 7.395 22.883 1.538 1.00 0.00 O ATOM 0 H SER A 6 8.214 24.267 -0.568 1.00 0.00 H new ATOM 0 HA SER A 6 7.695 21.506 -1.510 1.00 0.00 H new ATOM 0 HB2 SER A 6 7.097 20.979 0.816 1.00 0.00 H new ATOM 0 HB3 SER A 6 8.748 21.559 0.730 1.00 0.00 H new ATOM 0 HG SER A 6 6.656 23.425 1.191 1.00 0.00 H new ATOM 59 N GLY A 7 5.260 21.883 -1.729 1.00 0.00 N ATOM 60 CA GLY A 7 3.855 22.159 -1.966 1.00 0.00 C ATOM 61 C GLY A 7 2.969 20.973 -1.643 1.00 0.00 C ATOM 62 O GLY A 7 2.578 20.758 -0.495 1.00 0.00 O ATOM 0 H GLY A 7 5.605 21.021 -2.152 1.00 0.00 H new ATOM 0 HA2 GLY A 7 3.549 23.013 -1.362 1.00 0.00 H new ATOM 0 HA3 GLY A 7 3.714 22.440 -3.010 1.00 0.00 H new ATOM 66 N PRO A 8 2.636 20.180 -2.672 1.00 0.00 N ATOM 67 CA PRO A 8 1.785 18.996 -2.516 1.00 0.00 C ATOM 68 C PRO A 8 2.483 17.877 -1.752 1.00 0.00 C ATOM 69 O PRO A 8 3.587 18.058 -1.237 1.00 0.00 O ATOM 70 CB PRO A 8 1.509 18.566 -3.959 1.00 0.00 C ATOM 71 CG PRO A 8 2.663 19.094 -4.740 1.00 0.00 C ATOM 72 CD PRO A 8 3.066 20.377 -4.066 1.00 0.00 C ATOM 0 HA PRO A 8 0.885 19.214 -1.941 1.00 0.00 H new ATOM 0 HB2 PRO A 8 1.438 17.481 -4.042 1.00 0.00 H new ATOM 0 HB3 PRO A 8 0.566 18.976 -4.321 1.00 0.00 H new ATOM 0 HG2 PRO A 8 3.488 18.381 -4.748 1.00 0.00 H new ATOM 0 HG3 PRO A 8 2.384 19.270 -5.779 1.00 0.00 H new ATOM 0 HD2 PRO A 8 4.141 20.547 -4.135 1.00 0.00 H new ATOM 0 HD3 PRO A 8 2.577 21.240 -4.519 1.00 0.00 H new ATOM 80 N ALA A 9 1.833 16.720 -1.681 1.00 0.00 N ATOM 81 CA ALA A 9 2.393 15.570 -0.982 1.00 0.00 C ATOM 82 C ALA A 9 3.322 14.773 -1.891 1.00 0.00 C ATOM 83 O ALA A 9 2.893 14.224 -2.906 1.00 0.00 O ATOM 84 CB ALA A 9 1.278 14.681 -0.452 1.00 0.00 C ATOM 0 H ALA A 9 0.918 16.554 -2.099 1.00 0.00 H new ATOM 0 HA ALA A 9 2.980 15.938 -0.141 1.00 0.00 H new ATOM 0 HB1 ALA A 9 1.710 13.826 0.068 1.00 0.00 H new ATOM 0 HB2 ALA A 9 0.657 15.250 0.240 1.00 0.00 H new ATOM 0 HB3 ALA A 9 0.667 14.329 -1.283 1.00 0.00 H new ATOM 90 N LYS A 10 4.597 14.713 -1.521 1.00 0.00 N ATOM 91 CA LYS A 10 5.587 13.983 -2.303 1.00 0.00 C ATOM 92 C LYS A 10 6.057 12.737 -1.558 1.00 0.00 C ATOM 93 O LYS A 10 6.345 12.789 -0.362 1.00 0.00 O ATOM 94 CB LYS A 10 6.784 14.883 -2.618 1.00 0.00 C ATOM 95 CG LYS A 10 6.411 16.148 -3.372 1.00 0.00 C ATOM 96 CD LYS A 10 7.554 16.633 -4.247 1.00 0.00 C ATOM 97 CE LYS A 10 7.042 17.365 -5.478 1.00 0.00 C ATOM 98 NZ LYS A 10 6.603 16.422 -6.543 1.00 0.00 N ATOM 0 H LYS A 10 4.969 15.162 -0.684 1.00 0.00 H new ATOM 0 HA LYS A 10 5.118 13.672 -3.237 1.00 0.00 H new ATOM 0 HB2 LYS A 10 7.277 15.158 -1.685 1.00 0.00 H new ATOM 0 HB3 LYS A 10 7.507 14.319 -3.207 1.00 0.00 H new ATOM 0 HG2 LYS A 10 5.533 15.959 -3.990 1.00 0.00 H new ATOM 0 HG3 LYS A 10 6.138 16.929 -2.662 1.00 0.00 H new ATOM 0 HD2 LYS A 10 8.199 17.296 -3.670 1.00 0.00 H new ATOM 0 HD3 LYS A 10 8.164 15.784 -4.555 1.00 0.00 H new ATOM 0 HE2 LYS A 10 6.208 18.009 -5.197 1.00 0.00 H new ATOM 0 HE3 LYS A 10 7.827 18.013 -5.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 7.041 16.691 -7.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 6.893 15.455 -6.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 5.568 16.460 -6.635 1.00 0.00 H new ATOM 112 N PHE A 11 6.134 11.620 -2.272 1.00 0.00 N ATOM 113 CA PHE A 11 6.570 10.361 -1.679 1.00 0.00 C ATOM 114 C PHE A 11 8.003 10.469 -1.165 1.00 0.00 C ATOM 115 O PHE A 11 8.936 10.694 -1.937 1.00 0.00 O ATOM 116 CB PHE A 11 6.467 9.228 -2.701 1.00 0.00 C ATOM 117 CG PHE A 11 5.056 8.786 -2.966 1.00 0.00 C ATOM 118 CD1 PHE A 11 4.477 7.781 -2.209 1.00 0.00 C ATOM 119 CD2 PHE A 11 4.309 9.376 -3.973 1.00 0.00 C ATOM 120 CE1 PHE A 11 3.179 7.372 -2.450 1.00 0.00 C ATOM 121 CE2 PHE A 11 3.010 8.971 -4.219 1.00 0.00 C ATOM 122 CZ PHE A 11 2.445 7.968 -3.457 1.00 0.00 C ATOM 0 H PHE A 11 5.900 11.560 -3.263 1.00 0.00 H new ATOM 0 HA PHE A 11 5.916 10.140 -0.836 1.00 0.00 H new ATOM 0 HB2 PHE A 11 6.920 9.552 -3.638 1.00 0.00 H new ATOM 0 HB3 PHE A 11 7.046 8.375 -2.346 1.00 0.00 H new ATOM 0 HD1 PHE A 11 5.047 7.311 -1.421 1.00 0.00 H new ATOM 0 HD2 PHE A 11 4.746 10.161 -4.572 1.00 0.00 H new ATOM 0 HE1 PHE A 11 2.739 6.588 -1.852 1.00 0.00 H new ATOM 0 HE2 PHE A 11 2.438 9.439 -5.007 1.00 0.00 H new ATOM 0 HZ PHE A 11 1.431 7.650 -3.648 1.00 0.00 H new ATOM 132 N THR A 12 8.170 10.308 0.144 1.00 0.00 N ATOM 133 CA THR A 12 9.488 10.389 0.761 1.00 0.00 C ATOM 134 C THR A 12 10.186 9.034 0.747 1.00 0.00 C ATOM 135 O THR A 12 11.401 8.954 0.565 1.00 0.00 O ATOM 136 CB THR A 12 9.397 10.891 2.215 1.00 0.00 C ATOM 137 OG1 THR A 12 8.579 10.006 2.989 1.00 0.00 O ATOM 138 CG2 THR A 12 8.820 12.298 2.266 1.00 0.00 C ATOM 0 H THR A 12 7.409 10.121 0.797 1.00 0.00 H new ATOM 0 HA THR A 12 10.069 11.100 0.174 1.00 0.00 H new ATOM 0 HB THR A 12 10.404 10.912 2.633 1.00 0.00 H new ATOM 0 HG1 THR A 12 8.528 10.331 3.912 1.00 0.00 H new ATOM 0 HG21 THR A 12 8.765 12.631 3.302 1.00 0.00 H new ATOM 0 HG22 THR A 12 9.461 12.975 1.700 1.00 0.00 H new ATOM 0 HG23 THR A 12 7.820 12.297 1.832 1.00 0.00 H new ATOM 146 N GLU A 13 9.411 7.972 0.939 1.00 0.00 N ATOM 147 CA GLU A 13 9.957 6.620 0.947 1.00 0.00 C ATOM 148 C GLU A 13 9.547 5.859 -0.311 1.00 0.00 C ATOM 149 O GLU A 13 10.386 5.283 -1.002 1.00 0.00 O ATOM 150 CB GLU A 13 9.486 5.863 2.191 1.00 0.00 C ATOM 151 CG GLU A 13 9.865 6.541 3.496 1.00 0.00 C ATOM 152 CD GLU A 13 11.308 6.288 3.887 1.00 0.00 C ATOM 153 OE1 GLU A 13 12.191 7.030 3.406 1.00 0.00 O ATOM 154 OE2 GLU A 13 11.556 5.350 4.672 1.00 0.00 O ATOM 0 H GLU A 13 8.404 8.021 1.091 1.00 0.00 H new ATOM 0 HA GLU A 13 11.044 6.695 0.966 1.00 0.00 H new ATOM 0 HB2 GLU A 13 8.402 5.753 2.150 1.00 0.00 H new ATOM 0 HB3 GLU A 13 9.909 4.859 2.177 1.00 0.00 H new ATOM 0 HG2 GLU A 13 9.700 7.615 3.405 1.00 0.00 H new ATOM 0 HG3 GLU A 13 9.209 6.184 4.290 1.00 0.00 H new ATOM 161 N GLY A 14 8.249 5.862 -0.600 1.00 0.00 N ATOM 162 CA GLY A 14 7.749 5.169 -1.773 1.00 0.00 C ATOM 163 C GLY A 14 7.552 3.686 -1.530 1.00 0.00 C ATOM 164 O GLY A 14 8.087 3.130 -0.570 1.00 0.00 O ATOM 0 H GLY A 14 7.535 6.332 -0.043 1.00 0.00 H new ATOM 0 HA2 GLY A 14 6.801 5.613 -2.077 1.00 0.00 H new ATOM 0 HA3 GLY A 14 8.446 5.309 -2.599 1.00 0.00 H new ATOM 168 N LEU A 15 6.782 3.043 -2.400 1.00 0.00 N ATOM 169 CA LEU A 15 6.513 1.614 -2.275 1.00 0.00 C ATOM 170 C LEU A 15 7.790 0.802 -2.464 1.00 0.00 C ATOM 171 O LEU A 15 8.864 1.359 -2.693 1.00 0.00 O ATOM 172 CB LEU A 15 5.463 1.181 -3.300 1.00 0.00 C ATOM 173 CG LEU A 15 4.020 1.579 -2.992 1.00 0.00 C ATOM 174 CD1 LEU A 15 3.161 1.483 -4.243 1.00 0.00 C ATOM 175 CD2 LEU A 15 3.451 0.705 -1.884 1.00 0.00 C ATOM 0 H LEU A 15 6.332 3.488 -3.200 1.00 0.00 H new ATOM 0 HA LEU A 15 6.130 1.427 -1.272 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.735 1.600 -4.269 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.506 0.096 -3.399 1.00 0.00 H new ATOM 0 HG LEU A 15 4.014 2.614 -2.651 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.137 1.770 -4.004 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.556 2.151 -5.008 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.173 0.459 -4.615 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.423 1.002 -1.678 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.471 -0.339 -2.197 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.051 0.824 -0.982 1.00 0.00 H new ATOM 187 N ARG A 16 7.665 -0.518 -2.368 1.00 0.00 N ATOM 188 CA ARG A 16 8.809 -1.407 -2.528 1.00 0.00 C ATOM 189 C ARG A 16 8.352 -2.831 -2.831 1.00 0.00 C ATOM 190 O ARG A 16 7.325 -3.284 -2.328 1.00 0.00 O ATOM 191 CB ARG A 16 9.673 -1.395 -1.266 1.00 0.00 C ATOM 192 CG ARG A 16 8.973 -1.967 -0.044 1.00 0.00 C ATOM 193 CD ARG A 16 9.592 -1.448 1.245 1.00 0.00 C ATOM 194 NE ARG A 16 10.710 -2.277 1.688 1.00 0.00 N ATOM 195 CZ ARG A 16 11.300 -2.144 2.871 1.00 0.00 C ATOM 196 NH1 ARG A 16 10.879 -1.221 3.725 1.00 0.00 N ATOM 197 NH2 ARG A 16 12.312 -2.936 3.201 1.00 0.00 N ATOM 0 H ARG A 16 6.783 -0.995 -2.180 1.00 0.00 H new ATOM 0 HA ARG A 16 9.402 -1.047 -3.369 1.00 0.00 H new ATOM 0 HB2 ARG A 16 10.583 -1.965 -1.453 1.00 0.00 H new ATOM 0 HB3 ARG A 16 9.977 -0.370 -1.054 1.00 0.00 H new ATOM 0 HG2 ARG A 16 7.915 -1.705 -0.073 1.00 0.00 H new ATOM 0 HG3 ARG A 16 9.032 -3.055 -0.065 1.00 0.00 H new ATOM 0 HD2 ARG A 16 9.936 -0.425 1.095 1.00 0.00 H new ATOM 0 HD3 ARG A 16 8.832 -1.417 2.026 1.00 0.00 H new ATOM 0 HE ARG A 16 11.057 -2.997 1.055 1.00 0.00 H new ATOM 0 HH11 ARG A 16 10.101 -0.611 3.474 1.00 0.00 H new ATOM 0 HH12 ARG A 16 11.333 -1.121 4.633 1.00 0.00 H new ATOM 0 HH21 ARG A 16 12.637 -3.647 2.546 1.00 0.00 H new ATOM 0 HH22 ARG A 16 12.765 -2.834 4.109 1.00 0.00 H new ATOM 211 N ASN A 17 9.123 -3.532 -3.656 1.00 0.00 N ATOM 212 CA ASN A 17 8.797 -4.904 -4.027 1.00 0.00 C ATOM 213 C ASN A 17 8.803 -5.815 -2.803 1.00 0.00 C ATOM 214 O ASN A 17 9.721 -5.763 -1.984 1.00 0.00 O ATOM 215 CB ASN A 17 9.792 -5.423 -5.068 1.00 0.00 C ATOM 216 CG ASN A 17 11.020 -6.047 -4.433 1.00 0.00 C ATOM 217 OD1 ASN A 17 12.015 -5.367 -4.181 1.00 0.00 O ATOM 218 ND2 ASN A 17 10.955 -7.347 -4.172 1.00 0.00 N ATOM 0 H ASN A 17 9.978 -3.172 -4.080 1.00 0.00 H new ATOM 0 HA ASN A 17 7.795 -4.909 -4.457 1.00 0.00 H new ATOM 0 HB2 ASN A 17 9.299 -6.161 -5.701 1.00 0.00 H new ATOM 0 HB3 ASN A 17 10.099 -4.601 -5.715 1.00 0.00 H new ATOM 0 HD21 ASN A 17 11.751 -7.822 -3.745 1.00 0.00 H new ATOM 0 HD22 ASN A 17 10.110 -7.871 -4.398 1.00 0.00 H new ATOM 225 N GLU A 18 7.773 -6.647 -2.686 1.00 0.00 N ATOM 226 CA GLU A 18 7.661 -7.568 -1.561 1.00 0.00 C ATOM 227 C GLU A 18 7.075 -8.904 -2.009 1.00 0.00 C ATOM 228 O GLU A 18 6.511 -9.012 -3.097 1.00 0.00 O ATOM 229 CB GLU A 18 6.789 -6.960 -0.460 1.00 0.00 C ATOM 230 CG GLU A 18 5.302 -6.993 -0.773 1.00 0.00 C ATOM 231 CD GLU A 18 4.929 -6.081 -1.926 1.00 0.00 C ATOM 232 OE1 GLU A 18 5.733 -5.186 -2.258 1.00 0.00 O ATOM 233 OE2 GLU A 18 3.832 -6.263 -2.495 1.00 0.00 O ATOM 0 H GLU A 18 7.005 -6.702 -3.355 1.00 0.00 H new ATOM 0 HA GLU A 18 8.662 -7.743 -1.166 1.00 0.00 H new ATOM 0 HB2 GLU A 18 6.968 -7.497 0.471 1.00 0.00 H new ATOM 0 HB3 GLU A 18 7.094 -5.927 -0.296 1.00 0.00 H new ATOM 0 HG2 GLU A 18 5.007 -8.015 -1.013 1.00 0.00 H new ATOM 0 HG3 GLU A 18 4.741 -6.699 0.114 1.00 0.00 H new ATOM 240 N GLU A 19 7.214 -9.919 -1.161 1.00 0.00 N ATOM 241 CA GLU A 19 6.700 -11.248 -1.471 1.00 0.00 C ATOM 242 C GLU A 19 5.408 -11.523 -0.706 1.00 0.00 C ATOM 243 O GLU A 19 4.963 -10.703 0.096 1.00 0.00 O ATOM 244 CB GLU A 19 7.743 -12.314 -1.131 1.00 0.00 C ATOM 245 CG GLU A 19 8.801 -12.495 -2.207 1.00 0.00 C ATOM 246 CD GLU A 19 9.889 -13.469 -1.798 1.00 0.00 C ATOM 247 OE1 GLU A 19 10.354 -13.389 -0.642 1.00 0.00 O ATOM 248 OE2 GLU A 19 10.274 -14.313 -2.634 1.00 0.00 O ATOM 0 H GLU A 19 7.678 -9.846 -0.255 1.00 0.00 H new ATOM 0 HA GLU A 19 6.486 -11.287 -2.539 1.00 0.00 H new ATOM 0 HB2 GLU A 19 8.232 -12.046 -0.194 1.00 0.00 H new ATOM 0 HB3 GLU A 19 7.237 -13.266 -0.967 1.00 0.00 H new ATOM 0 HG2 GLU A 19 8.326 -12.850 -3.122 1.00 0.00 H new ATOM 0 HG3 GLU A 19 9.251 -11.529 -2.435 1.00 0.00 H new ATOM 255 N ALA A 20 4.812 -12.683 -0.963 1.00 0.00 N ATOM 256 CA ALA A 20 3.573 -13.067 -0.299 1.00 0.00 C ATOM 257 C ALA A 20 3.220 -14.521 -0.593 1.00 0.00 C ATOM 258 O ALA A 20 3.858 -15.169 -1.423 1.00 0.00 O ATOM 259 CB ALA A 20 2.437 -12.150 -0.727 1.00 0.00 C ATOM 0 H ALA A 20 5.167 -13.372 -1.626 1.00 0.00 H new ATOM 0 HA ALA A 20 3.721 -12.966 0.776 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.518 -12.449 -0.223 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.679 -11.121 -0.460 1.00 0.00 H new ATOM 0 HB3 ALA A 20 2.299 -12.221 -1.806 1.00 0.00 H new ATOM 265 N VAL A 21 2.201 -15.029 0.092 1.00 0.00 N ATOM 266 CA VAL A 21 1.764 -16.407 -0.096 1.00 0.00 C ATOM 267 C VAL A 21 0.280 -16.471 -0.440 1.00 0.00 C ATOM 268 O VAL A 21 -0.518 -15.681 0.064 1.00 0.00 O ATOM 269 CB VAL A 21 2.024 -17.257 1.162 1.00 0.00 C ATOM 270 CG1 VAL A 21 1.674 -18.714 0.905 1.00 0.00 C ATOM 271 CG2 VAL A 21 3.472 -17.118 1.607 1.00 0.00 C ATOM 0 H VAL A 21 1.662 -14.507 0.783 1.00 0.00 H new ATOM 0 HA VAL A 21 2.345 -16.812 -0.925 1.00 0.00 H new ATOM 0 HB VAL A 21 1.384 -16.892 1.965 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.864 -19.298 1.805 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.620 -18.793 0.637 1.00 0.00 H new ATOM 0 HG13 VAL A 21 2.286 -19.097 0.088 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.639 -17.725 2.497 1.00 0.00 H new ATOM 0 HG22 VAL A 21 4.132 -17.456 0.808 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.684 -16.073 1.835 1.00 0.00 H new ATOM 281 N GLU A 22 -0.083 -17.416 -1.302 1.00 0.00 N ATOM 282 CA GLU A 22 -1.472 -17.581 -1.714 1.00 0.00 C ATOM 283 C GLU A 22 -2.397 -17.620 -0.501 1.00 0.00 C ATOM 284 O GLU A 22 -2.143 -18.337 0.465 1.00 0.00 O ATOM 285 CB GLU A 22 -1.634 -18.862 -2.535 1.00 0.00 C ATOM 286 CG GLU A 22 -1.323 -18.683 -4.011 1.00 0.00 C ATOM 287 CD GLU A 22 -2.027 -19.704 -4.884 1.00 0.00 C ATOM 288 OE1 GLU A 22 -3.270 -19.644 -4.983 1.00 0.00 O ATOM 289 OE2 GLU A 22 -1.334 -20.563 -5.468 1.00 0.00 O ATOM 0 H GLU A 22 0.565 -18.078 -1.728 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.746 -16.726 -2.331 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -0.979 -19.631 -2.125 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -2.657 -19.224 -2.429 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -1.617 -17.680 -4.321 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -0.247 -18.761 -4.164 1.00 0.00 H new ATOM 296 N GLY A 23 -3.474 -16.842 -0.561 1.00 0.00 N ATOM 297 CA GLY A 23 -4.421 -16.801 0.538 1.00 0.00 C ATOM 298 C GLY A 23 -4.070 -15.745 1.567 1.00 0.00 C ATOM 299 O GLY A 23 -4.952 -15.078 2.107 1.00 0.00 O ATOM 0 H GLY A 23 -3.707 -16.240 -1.351 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -5.419 -16.605 0.146 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.455 -17.778 1.021 1.00 0.00 H new ATOM 303 N ALA A 24 -2.779 -15.593 1.840 1.00 0.00 N ATOM 304 CA ALA A 24 -2.313 -14.610 2.811 1.00 0.00 C ATOM 305 C ALA A 24 -2.770 -13.206 2.432 1.00 0.00 C ATOM 306 O ALA A 24 -3.386 -13.003 1.385 1.00 0.00 O ATOM 307 CB ALA A 24 -0.797 -14.661 2.928 1.00 0.00 C ATOM 0 H ALA A 24 -2.036 -16.138 1.402 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.749 -14.857 3.779 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -0.463 -13.922 3.656 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -0.490 -15.655 3.253 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.350 -14.443 1.958 1.00 0.00 H new ATOM 313 N THR A 25 -2.464 -12.237 3.290 1.00 0.00 N ATOM 314 CA THR A 25 -2.844 -10.852 3.046 1.00 0.00 C ATOM 315 C THR A 25 -1.616 -9.970 2.855 1.00 0.00 C ATOM 316 O THR A 25 -0.942 -9.611 3.821 1.00 0.00 O ATOM 317 CB THR A 25 -3.691 -10.290 4.203 1.00 0.00 C ATOM 318 OG1 THR A 25 -4.812 -11.145 4.450 1.00 0.00 O ATOM 319 CG2 THR A 25 -4.180 -8.885 3.883 1.00 0.00 C ATOM 0 H THR A 25 -1.954 -12.387 4.160 1.00 0.00 H new ATOM 0 HA THR A 25 -3.439 -10.844 2.133 1.00 0.00 H new ATOM 0 HB THR A 25 -3.065 -10.246 5.094 1.00 0.00 H new ATOM 0 HG1 THR A 25 -5.344 -10.781 5.188 1.00 0.00 H new ATOM 0 HG21 THR A 25 -4.776 -8.509 4.715 1.00 0.00 H new ATOM 0 HG22 THR A 25 -3.324 -8.229 3.724 1.00 0.00 H new ATOM 0 HG23 THR A 25 -4.791 -8.909 2.981 1.00 0.00 H new ATOM 327 N ALA A 26 -1.330 -9.623 1.605 1.00 0.00 N ATOM 328 CA ALA A 26 -0.184 -8.780 1.288 1.00 0.00 C ATOM 329 C ALA A 26 -0.109 -7.580 2.227 1.00 0.00 C ATOM 330 O ALA A 26 -1.043 -7.312 2.982 1.00 0.00 O ATOM 331 CB ALA A 26 -0.253 -8.317 -0.159 1.00 0.00 C ATOM 0 H ALA A 26 -1.877 -9.913 0.794 1.00 0.00 H new ATOM 0 HA ALA A 26 0.721 -9.373 1.425 1.00 0.00 H new ATOM 0 HB1 ALA A 26 0.609 -7.688 -0.381 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.250 -9.184 -0.819 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -1.168 -7.746 -0.315 1.00 0.00 H new ATOM 337 N MET A 27 1.008 -6.862 2.174 1.00 0.00 N ATOM 338 CA MET A 27 1.203 -5.690 3.019 1.00 0.00 C ATOM 339 C MET A 27 2.049 -4.640 2.306 1.00 0.00 C ATOM 340 O MET A 27 3.263 -4.795 2.167 1.00 0.00 O ATOM 341 CB MET A 27 1.871 -6.090 4.336 1.00 0.00 C ATOM 342 CG MET A 27 2.280 -4.905 5.195 1.00 0.00 C ATOM 343 SD MET A 27 0.915 -4.257 6.180 1.00 0.00 S ATOM 344 CE MET A 27 0.318 -2.949 5.112 1.00 0.00 C ATOM 0 H MET A 27 1.791 -7.071 1.555 1.00 0.00 H new ATOM 0 HA MET A 27 0.224 -5.260 3.232 1.00 0.00 H new ATOM 0 HB2 MET A 27 1.187 -6.721 4.904 1.00 0.00 H new ATOM 0 HB3 MET A 27 2.753 -6.692 4.118 1.00 0.00 H new ATOM 0 HG2 MET A 27 3.091 -5.205 5.858 1.00 0.00 H new ATOM 0 HG3 MET A 27 2.668 -4.113 4.554 1.00 0.00 H new ATOM 0 HE1 MET A 27 -0.698 -2.680 5.399 1.00 0.00 H new ATOM 0 HE2 MET A 27 0.965 -2.077 5.208 1.00 0.00 H new ATOM 0 HE3 MET A 27 0.324 -3.293 4.078 1.00 0.00 H new ATOM 354 N LEU A 28 1.401 -3.572 1.854 1.00 0.00 N ATOM 355 CA LEU A 28 2.094 -2.496 1.155 1.00 0.00 C ATOM 356 C LEU A 28 1.902 -1.165 1.876 1.00 0.00 C ATOM 357 O LEU A 28 0.786 -0.810 2.256 1.00 0.00 O ATOM 358 CB LEU A 28 1.586 -2.387 -0.284 1.00 0.00 C ATOM 359 CG LEU A 28 1.879 -3.582 -1.192 1.00 0.00 C ATOM 360 CD1 LEU A 28 0.925 -3.599 -2.376 1.00 0.00 C ATOM 361 CD2 LEU A 28 3.324 -3.549 -1.668 1.00 0.00 C ATOM 0 H LEU A 28 0.397 -3.428 1.959 1.00 0.00 H new ATOM 0 HA LEU A 28 3.158 -2.731 1.142 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.507 -2.233 -0.257 1.00 0.00 H new ATOM 0 HB3 LEU A 28 2.024 -1.497 -0.736 1.00 0.00 H new ATOM 0 HG LEU A 28 1.728 -4.496 -0.618 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.149 -4.456 -3.011 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.101 -3.672 -2.015 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.043 -2.681 -2.951 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.514 -4.407 -2.313 1.00 0.00 H new ATOM 0 HD22 LEU A 28 3.503 -2.629 -2.225 1.00 0.00 H new ATOM 0 HD23 LEU A 28 3.992 -3.587 -0.807 1.00 0.00 H new ATOM 373 N TRP A 29 2.995 -0.434 2.057 1.00 0.00 N ATOM 374 CA TRP A 29 2.947 0.859 2.731 1.00 0.00 C ATOM 375 C TRP A 29 3.821 1.880 2.012 1.00 0.00 C ATOM 376 O TRP A 29 4.751 1.517 1.290 1.00 0.00 O ATOM 377 CB TRP A 29 3.398 0.717 4.185 1.00 0.00 C ATOM 378 CG TRP A 29 4.870 0.472 4.330 1.00 0.00 C ATOM 379 CD1 TRP A 29 5.494 -0.739 4.427 1.00 0.00 C ATOM 380 CD2 TRP A 29 5.900 1.464 4.395 1.00 0.00 C ATOM 381 NE1 TRP A 29 6.851 -0.560 4.549 1.00 0.00 N ATOM 382 CE2 TRP A 29 7.126 0.782 4.531 1.00 0.00 C ATOM 383 CE3 TRP A 29 5.908 2.860 4.350 1.00 0.00 C ATOM 384 CZ2 TRP A 29 8.343 1.451 4.623 1.00 0.00 C ATOM 385 CZ3 TRP A 29 7.117 3.523 4.442 1.00 0.00 C ATOM 386 CH2 TRP A 29 8.321 2.819 4.577 1.00 0.00 C ATOM 0 H TRP A 29 3.926 -0.714 1.747 1.00 0.00 H new ATOM 0 HA TRP A 29 1.916 1.213 2.711 1.00 0.00 H new ATOM 0 HB2 TRP A 29 3.132 1.623 4.730 1.00 0.00 H new ATOM 0 HB3 TRP A 29 2.853 -0.105 4.648 1.00 0.00 H new ATOM 0 HD1 TRP A 29 4.994 -1.696 4.410 1.00 0.00 H new ATOM 0 HE1 TRP A 29 7.542 -1.305 4.638 1.00 0.00 H new ATOM 0 HE3 TRP A 29 4.985 3.412 4.245 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 9.272 0.910 4.727 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 7.134 4.602 4.409 1.00 0.00 H new ATOM 0 HH2 TRP A 29 9.250 3.366 4.646 1.00 0.00 H new ATOM 397 N CYS A 30 3.519 3.158 2.214 1.00 0.00 N ATOM 398 CA CYS A 30 4.278 4.232 1.583 1.00 0.00 C ATOM 399 C CYS A 30 4.156 5.526 2.382 1.00 0.00 C ATOM 400 O CYS A 30 3.065 5.898 2.814 1.00 0.00 O ATOM 401 CB CYS A 30 3.793 4.455 0.151 1.00 0.00 C ATOM 402 SG CYS A 30 2.003 4.669 0.002 1.00 0.00 S ATOM 0 H CYS A 30 2.754 3.476 2.810 1.00 0.00 H new ATOM 0 HA CYS A 30 5.327 3.937 1.561 1.00 0.00 H new ATOM 0 HB2 CYS A 30 4.289 5.336 -0.256 1.00 0.00 H new ATOM 0 HB3 CYS A 30 4.099 3.606 -0.461 1.00 0.00 H new ATOM 0 HG CYS A 30 1.417 3.513 0.109 1.00 0.00 H new ATOM 408 N GLU A 31 5.282 6.204 2.576 1.00 0.00 N ATOM 409 CA GLU A 31 5.300 7.455 3.326 1.00 0.00 C ATOM 410 C GLU A 31 5.219 8.654 2.385 1.00 0.00 C ATOM 411 O GLU A 31 5.641 8.581 1.230 1.00 0.00 O ATOM 412 CB GLU A 31 6.567 7.546 4.179 1.00 0.00 C ATOM 413 CG GLU A 31 6.407 6.961 5.572 1.00 0.00 C ATOM 414 CD GLU A 31 7.690 7.013 6.378 1.00 0.00 C ATOM 415 OE1 GLU A 31 8.011 8.096 6.911 1.00 0.00 O ATOM 416 OE2 GLU A 31 8.373 5.972 6.476 1.00 0.00 O ATOM 0 H GLU A 31 6.193 5.909 2.225 1.00 0.00 H new ATOM 0 HA GLU A 31 4.429 7.469 3.981 1.00 0.00 H new ATOM 0 HB2 GLU A 31 7.377 7.027 3.667 1.00 0.00 H new ATOM 0 HB3 GLU A 31 6.862 8.592 4.265 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.626 7.506 6.103 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.075 5.926 5.491 1.00 0.00 H new ATOM 423 N LEU A 32 4.675 9.757 2.888 1.00 0.00 N ATOM 424 CA LEU A 32 4.537 10.973 2.094 1.00 0.00 C ATOM 425 C LEU A 32 5.089 12.179 2.846 1.00 0.00 C ATOM 426 O LEU A 32 5.327 12.116 4.052 1.00 0.00 O ATOM 427 CB LEU A 32 3.069 11.208 1.735 1.00 0.00 C ATOM 428 CG LEU A 32 2.249 9.959 1.411 1.00 0.00 C ATOM 429 CD1 LEU A 32 0.762 10.245 1.554 1.00 0.00 C ATOM 430 CD2 LEU A 32 2.565 9.463 0.007 1.00 0.00 C ATOM 0 H LEU A 32 4.322 9.834 3.842 1.00 0.00 H new ATOM 0 HA LEU A 32 5.112 10.846 1.177 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.591 11.726 2.566 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.029 11.878 0.876 1.00 0.00 H new ATOM 0 HG LEU A 32 2.518 9.177 2.121 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.194 9.345 1.319 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.547 10.553 2.577 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.477 11.043 0.868 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.972 8.573 -0.207 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.324 10.242 -0.717 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.625 9.218 -0.062 1.00 0.00 H new ATOM 442 N SER A 33 5.287 13.279 2.126 1.00 0.00 N ATOM 443 CA SER A 33 5.812 14.501 2.725 1.00 0.00 C ATOM 444 C SER A 33 4.759 15.171 3.602 1.00 0.00 C ATOM 445 O SER A 33 5.032 16.171 4.267 1.00 0.00 O ATOM 446 CB SER A 33 6.277 15.469 1.636 1.00 0.00 C ATOM 447 OG SER A 33 7.303 16.321 2.115 1.00 0.00 O ATOM 0 H SER A 33 5.092 13.349 1.127 1.00 0.00 H new ATOM 0 HA SER A 33 6.664 14.233 3.350 1.00 0.00 H new ATOM 0 HB2 SER A 33 6.639 14.906 0.776 1.00 0.00 H new ATOM 0 HB3 SER A 33 5.433 16.068 1.293 1.00 0.00 H new ATOM 0 HG SER A 33 7.584 16.929 1.400 1.00 0.00 H new ATOM 453 N LYS A 34 3.552 14.615 3.597 1.00 0.00 N ATOM 454 CA LYS A 34 2.456 15.156 4.392 1.00 0.00 C ATOM 455 C LYS A 34 1.238 14.240 4.334 1.00 0.00 C ATOM 456 O LYS A 34 1.060 13.486 3.377 1.00 0.00 O ATOM 457 CB LYS A 34 2.080 16.554 3.895 1.00 0.00 C ATOM 458 CG LYS A 34 1.865 16.628 2.393 1.00 0.00 C ATOM 459 CD LYS A 34 2.219 18.001 1.846 1.00 0.00 C ATOM 460 CE LYS A 34 1.017 18.934 1.863 1.00 0.00 C ATOM 461 NZ LYS A 34 0.918 19.688 3.143 1.00 0.00 N ATOM 0 H LYS A 34 3.308 13.789 3.050 1.00 0.00 H new ATOM 0 HA LYS A 34 2.790 15.222 5.428 1.00 0.00 H new ATOM 0 HB2 LYS A 34 1.170 16.878 4.400 1.00 0.00 H new ATOM 0 HB3 LYS A 34 2.867 17.254 4.176 1.00 0.00 H new ATOM 0 HG2 LYS A 34 2.474 15.871 1.900 1.00 0.00 H new ATOM 0 HG3 LYS A 34 0.824 16.400 2.162 1.00 0.00 H new ATOM 0 HD2 LYS A 34 3.025 18.433 2.439 1.00 0.00 H new ATOM 0 HD3 LYS A 34 2.591 17.903 0.826 1.00 0.00 H new ATOM 0 HE2 LYS A 34 1.091 19.636 1.033 1.00 0.00 H new ATOM 0 HE3 LYS A 34 0.106 18.355 1.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 0.087 20.312 3.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 0.822 19.019 3.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 1.776 20.260 3.276 1.00 0.00 H new ATOM 475 N VAL A 35 0.400 14.311 5.363 1.00 0.00 N ATOM 476 CA VAL A 35 -0.803 13.490 5.427 1.00 0.00 C ATOM 477 C VAL A 35 -1.793 13.878 4.335 1.00 0.00 C ATOM 478 O VAL A 35 -2.415 14.939 4.395 1.00 0.00 O ATOM 479 CB VAL A 35 -1.495 13.614 6.798 1.00 0.00 C ATOM 480 CG1 VAL A 35 -2.533 12.517 6.974 1.00 0.00 C ATOM 481 CG2 VAL A 35 -0.467 13.570 7.919 1.00 0.00 C ATOM 0 H VAL A 35 0.532 14.929 6.164 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.488 12.457 5.278 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.007 14.576 6.841 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.011 12.621 7.948 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -3.286 12.599 6.190 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -2.048 11.543 6.910 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.973 13.659 8.880 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.074 12.625 7.880 1.00 0.00 H new ATOM 0 HG23 VAL A 35 0.235 14.395 7.801 1.00 0.00 H new ATOM 491 N ALA A 36 -1.934 13.012 3.337 1.00 0.00 N ATOM 492 CA ALA A 36 -2.850 13.263 2.231 1.00 0.00 C ATOM 493 C ALA A 36 -3.549 11.980 1.795 1.00 0.00 C ATOM 494 O ALA A 36 -3.052 10.872 2.003 1.00 0.00 O ATOM 495 CB ALA A 36 -2.106 13.885 1.059 1.00 0.00 C ATOM 0 H ALA A 36 -1.426 12.130 3.272 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.612 13.962 2.575 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -2.803 14.067 0.241 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -1.659 14.829 1.371 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.322 13.206 0.724 1.00 0.00 H new ATOM 501 N PRO A 37 -4.730 12.129 1.177 1.00 0.00 N ATOM 502 CA PRO A 37 -5.522 10.992 0.699 1.00 0.00 C ATOM 503 C PRO A 37 -4.875 10.294 -0.493 1.00 0.00 C ATOM 504 O PRO A 37 -4.717 10.886 -1.561 1.00 0.00 O ATOM 505 CB PRO A 37 -6.850 11.633 0.286 1.00 0.00 C ATOM 506 CG PRO A 37 -6.505 13.046 -0.033 1.00 0.00 C ATOM 507 CD PRO A 37 -5.382 13.419 0.895 1.00 0.00 C ATOM 0 HA PRO A 37 -5.624 10.219 1.460 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -7.283 11.127 -0.577 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -7.584 11.576 1.090 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -6.200 13.147 -1.075 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -7.365 13.700 0.113 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -4.693 14.124 0.429 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -5.753 13.890 1.806 1.00 0.00 H new ATOM 515 N VAL A 38 -4.502 9.032 -0.303 1.00 0.00 N ATOM 516 CA VAL A 38 -3.873 8.253 -1.364 1.00 0.00 C ATOM 517 C VAL A 38 -4.890 7.362 -2.068 1.00 0.00 C ATOM 518 O VAL A 38 -6.022 7.214 -1.609 1.00 0.00 O ATOM 519 CB VAL A 38 -2.732 7.377 -0.814 1.00 0.00 C ATOM 520 CG1 VAL A 38 -1.611 8.244 -0.261 1.00 0.00 C ATOM 521 CG2 VAL A 38 -3.257 6.426 0.251 1.00 0.00 C ATOM 0 H VAL A 38 -4.624 8.527 0.575 1.00 0.00 H new ATOM 0 HA VAL A 38 -3.462 8.965 -2.080 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.327 6.782 -1.633 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -0.814 7.607 0.123 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.217 8.879 -1.054 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.997 8.868 0.545 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -2.437 5.815 0.629 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -3.689 7.000 1.071 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.021 5.781 -0.182 1.00 0.00 H new ATOM 531 N GLU A 39 -4.478 6.772 -3.185 1.00 0.00 N ATOM 532 CA GLU A 39 -5.354 5.895 -3.953 1.00 0.00 C ATOM 533 C GLU A 39 -4.571 4.728 -4.547 1.00 0.00 C ATOM 534 O GLU A 39 -3.817 4.897 -5.506 1.00 0.00 O ATOM 535 CB GLU A 39 -6.046 6.680 -5.069 1.00 0.00 C ATOM 536 CG GLU A 39 -6.811 7.896 -4.574 1.00 0.00 C ATOM 537 CD GLU A 39 -8.168 7.537 -4.000 1.00 0.00 C ATOM 538 OE1 GLU A 39 -8.224 6.668 -3.106 1.00 0.00 O ATOM 539 OE2 GLU A 39 -9.175 8.128 -4.445 1.00 0.00 O ATOM 0 H GLU A 39 -3.544 6.885 -3.578 1.00 0.00 H new ATOM 0 HA GLU A 39 -6.110 5.496 -3.277 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -5.298 7.002 -5.793 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -6.734 6.018 -5.595 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -6.222 8.406 -3.812 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -6.943 8.598 -5.398 1.00 0.00 H new ATOM 546 N TRP A 40 -4.755 3.545 -3.971 1.00 0.00 N ATOM 547 CA TRP A 40 -4.065 2.350 -4.443 1.00 0.00 C ATOM 548 C TRP A 40 -4.728 1.800 -5.701 1.00 0.00 C ATOM 549 O TRP A 40 -5.954 1.730 -5.788 1.00 0.00 O ATOM 550 CB TRP A 40 -4.051 1.280 -3.350 1.00 0.00 C ATOM 551 CG TRP A 40 -3.589 1.795 -2.020 1.00 0.00 C ATOM 552 CD1 TRP A 40 -4.287 2.599 -1.165 1.00 0.00 C ATOM 553 CD2 TRP A 40 -2.325 1.543 -1.395 1.00 0.00 C ATOM 554 NE1 TRP A 40 -3.534 2.862 -0.046 1.00 0.00 N ATOM 555 CE2 TRP A 40 -2.327 2.225 -0.163 1.00 0.00 C ATOM 556 CE3 TRP A 40 -1.194 0.806 -1.756 1.00 0.00 C ATOM 557 CZ2 TRP A 40 -1.241 2.191 0.707 1.00 0.00 C ATOM 558 CZ3 TRP A 40 -0.117 0.774 -0.891 1.00 0.00 C ATOM 559 CH2 TRP A 40 -0.146 1.462 0.329 1.00 0.00 C ATOM 0 H TRP A 40 -5.376 3.388 -3.177 1.00 0.00 H new ATOM 0 HA TRP A 40 -3.039 2.625 -4.686 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -5.054 0.867 -3.243 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -3.401 0.462 -3.661 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -5.284 2.973 -1.342 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -3.826 3.438 0.743 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -1.162 0.271 -2.694 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -1.262 2.721 1.648 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 0.763 0.209 -1.160 1.00 0.00 H new ATOM 0 HH2 TRP A 40 0.712 1.416 0.984 1.00 0.00 H new ATOM 570 N ARG A 41 -3.910 1.411 -6.674 1.00 0.00 N ATOM 571 CA ARG A 41 -4.418 0.869 -7.928 1.00 0.00 C ATOM 572 C ARG A 41 -3.524 -0.260 -8.434 1.00 0.00 C ATOM 573 O ARG A 41 -2.350 -0.346 -8.073 1.00 0.00 O ATOM 574 CB ARG A 41 -4.513 1.971 -8.984 1.00 0.00 C ATOM 575 CG ARG A 41 -5.832 2.726 -8.961 1.00 0.00 C ATOM 576 CD ARG A 41 -5.830 3.882 -9.949 1.00 0.00 C ATOM 577 NE ARG A 41 -5.875 3.419 -11.333 1.00 0.00 N ATOM 578 CZ ARG A 41 -5.467 4.148 -12.365 1.00 0.00 C ATOM 579 NH1 ARG A 41 -4.986 5.368 -12.171 1.00 0.00 N ATOM 580 NH2 ARG A 41 -5.540 3.657 -13.596 1.00 0.00 N ATOM 0 H ARG A 41 -2.893 1.461 -6.618 1.00 0.00 H new ATOM 0 HA ARG A 41 -5.414 0.466 -7.743 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -3.697 2.678 -8.833 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -4.374 1.530 -9.971 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -6.647 2.043 -9.200 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -6.018 3.105 -7.956 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -6.687 4.527 -9.754 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -4.936 4.486 -9.798 1.00 0.00 H new ATOM 0 HE ARG A 41 -6.240 2.484 -11.517 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -4.928 5.749 -11.227 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -4.673 5.925 -12.966 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -5.910 2.719 -13.750 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -5.226 4.218 -14.388 1.00 0.00 H new ATOM 594 N LYS A 42 -4.088 -1.124 -9.271 1.00 0.00 N ATOM 595 CA LYS A 42 -3.344 -2.248 -9.827 1.00 0.00 C ATOM 596 C LYS A 42 -3.562 -2.352 -11.333 1.00 0.00 C ATOM 597 O LYS A 42 -4.393 -3.131 -11.798 1.00 0.00 O ATOM 598 CB LYS A 42 -3.767 -3.553 -9.149 1.00 0.00 C ATOM 599 CG LYS A 42 -3.006 -4.770 -9.645 1.00 0.00 C ATOM 600 CD LYS A 42 -3.380 -6.018 -8.862 1.00 0.00 C ATOM 601 CE LYS A 42 -2.769 -7.267 -9.479 1.00 0.00 C ATOM 602 NZ LYS A 42 -3.570 -7.764 -10.632 1.00 0.00 N ATOM 0 H LYS A 42 -5.059 -1.067 -9.579 1.00 0.00 H new ATOM 0 HA LYS A 42 -2.284 -2.077 -9.641 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -3.621 -3.457 -8.073 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -4.833 -3.709 -9.314 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -3.217 -4.926 -10.703 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -1.934 -4.591 -9.557 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -3.041 -5.917 -7.831 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -4.465 -6.119 -8.833 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -1.753 -7.049 -9.809 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -2.698 -8.048 -8.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -3.121 -8.616 -11.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -4.532 -7.996 -10.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -3.617 -7.028 -11.365 1.00 0.00 H new ATOM 616 N GLY A 43 -2.808 -1.562 -12.092 1.00 0.00 N ATOM 617 CA GLY A 43 -2.933 -1.582 -13.538 1.00 0.00 C ATOM 618 C GLY A 43 -4.359 -1.357 -13.999 1.00 0.00 C ATOM 619 O GLY A 43 -4.960 -0.313 -13.744 1.00 0.00 O ATOM 0 H GLY A 43 -2.113 -0.909 -11.731 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -2.290 -0.813 -13.966 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -2.579 -2.541 -13.917 1.00 0.00 H new ATOM 623 N PRO A 44 -4.923 -2.354 -14.698 1.00 0.00 N ATOM 624 CA PRO A 44 -6.294 -2.283 -15.212 1.00 0.00 C ATOM 625 C PRO A 44 -7.335 -2.343 -14.098 1.00 0.00 C ATOM 626 O PRO A 44 -8.521 -2.119 -14.333 1.00 0.00 O ATOM 627 CB PRO A 44 -6.400 -3.518 -16.110 1.00 0.00 C ATOM 628 CG PRO A 44 -5.394 -4.471 -15.564 1.00 0.00 C ATOM 629 CD PRO A 44 -4.266 -3.627 -15.039 1.00 0.00 C ATOM 0 HA PRO A 44 -6.487 -1.344 -15.731 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -7.403 -3.943 -16.082 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -6.187 -3.271 -17.150 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -5.826 -5.082 -14.771 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -5.043 -5.154 -16.338 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -3.795 -4.082 -14.168 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -3.486 -3.489 -15.787 1.00 0.00 H new ATOM 637 N GLU A 45 -6.881 -2.647 -12.886 1.00 0.00 N ATOM 638 CA GLU A 45 -7.774 -2.736 -11.737 1.00 0.00 C ATOM 639 C GLU A 45 -7.726 -1.455 -10.909 1.00 0.00 C ATOM 640 O GLU A 45 -6.950 -0.546 -11.199 1.00 0.00 O ATOM 641 CB GLU A 45 -7.399 -3.935 -10.864 1.00 0.00 C ATOM 642 CG GLU A 45 -8.075 -5.230 -11.284 1.00 0.00 C ATOM 643 CD GLU A 45 -7.848 -6.355 -10.294 1.00 0.00 C ATOM 644 OE1 GLU A 45 -7.928 -6.097 -9.075 1.00 0.00 O ATOM 645 OE2 GLU A 45 -7.590 -7.493 -10.737 1.00 0.00 O ATOM 0 H GLU A 45 -5.901 -2.836 -12.675 1.00 0.00 H new ATOM 0 HA GLU A 45 -8.790 -2.869 -12.109 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.318 -4.073 -10.895 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -7.663 -3.717 -9.829 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -9.146 -5.058 -11.393 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -7.699 -5.531 -12.262 1.00 0.00 H new ATOM 652 N ASN A 46 -8.561 -1.392 -9.878 1.00 0.00 N ATOM 653 CA ASN A 46 -8.615 -0.223 -9.008 1.00 0.00 C ATOM 654 C ASN A 46 -8.905 -0.630 -7.566 1.00 0.00 C ATOM 655 O ASN A 46 -9.932 -1.245 -7.278 1.00 0.00 O ATOM 656 CB ASN A 46 -9.685 0.755 -9.498 1.00 0.00 C ATOM 657 CG ASN A 46 -9.459 1.186 -10.934 1.00 0.00 C ATOM 658 OD1 ASN A 46 -9.826 0.325 -11.876 1.00 0.00 O flip ATOM 659 ND2 ASN A 46 -8.961 2.282 -11.194 1.00 0.00 N flip ATOM 0 H ASN A 46 -9.210 -2.137 -9.624 1.00 0.00 H new ATOM 0 HA ASN A 46 -7.642 0.267 -9.040 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -10.667 0.289 -9.411 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -9.692 1.635 -8.854 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -8.694 2.913 -10.438 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -8.816 2.559 -12.165 1.00 0.00 H new ATOM 666 N LEU A 47 -7.993 -0.283 -6.665 1.00 0.00 N ATOM 667 CA LEU A 47 -8.150 -0.611 -5.252 1.00 0.00 C ATOM 668 C LEU A 47 -8.677 0.588 -4.470 1.00 0.00 C ATOM 669 O LEU A 47 -8.550 1.732 -4.908 1.00 0.00 O ATOM 670 CB LEU A 47 -6.816 -1.072 -4.664 1.00 0.00 C ATOM 671 CG LEU A 47 -5.950 -1.948 -5.569 1.00 0.00 C ATOM 672 CD1 LEU A 47 -4.729 -2.453 -4.815 1.00 0.00 C ATOM 673 CD2 LEU A 47 -6.761 -3.114 -6.116 1.00 0.00 C ATOM 0 H LEU A 47 -7.137 0.225 -6.887 1.00 0.00 H new ATOM 0 HA LEU A 47 -8.875 -1.421 -5.171 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -6.240 -0.189 -4.387 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -7.018 -1.622 -3.745 1.00 0.00 H new ATOM 0 HG LEU A 47 -5.608 -1.343 -6.409 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -4.125 -3.075 -5.476 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -4.136 -1.605 -4.473 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -5.050 -3.042 -3.956 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -6.129 -3.727 -6.758 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -7.133 -3.719 -5.289 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -7.603 -2.732 -6.693 1.00 0.00 H new ATOM 685 N ARG A 48 -9.266 0.319 -3.310 1.00 0.00 N ATOM 686 CA ARG A 48 -9.811 1.375 -2.466 1.00 0.00 C ATOM 687 C ARG A 48 -10.317 0.808 -1.143 1.00 0.00 C ATOM 688 O ARG A 48 -10.752 -0.342 -1.075 1.00 0.00 O ATOM 689 CB ARG A 48 -10.947 2.100 -3.189 1.00 0.00 C ATOM 690 CG ARG A 48 -12.095 1.188 -3.590 1.00 0.00 C ATOM 691 CD ARG A 48 -13.308 1.985 -4.044 1.00 0.00 C ATOM 692 NE ARG A 48 -14.309 1.138 -4.688 1.00 0.00 N ATOM 693 CZ ARG A 48 -15.391 1.612 -5.295 1.00 0.00 C ATOM 694 NH1 ARG A 48 -15.611 2.919 -5.341 1.00 0.00 N ATOM 695 NH2 ARG A 48 -16.256 0.779 -5.858 1.00 0.00 N ATOM 0 H ARG A 48 -9.378 -0.622 -2.933 1.00 0.00 H new ATOM 0 HA ARG A 48 -9.011 2.085 -2.255 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -11.331 2.890 -2.544 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -10.549 2.582 -4.082 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -11.772 0.526 -4.394 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -12.370 0.555 -2.746 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -13.755 2.486 -3.185 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -12.991 2.764 -4.738 1.00 0.00 H new ATOM 0 HE ARG A 48 -14.169 0.128 -4.671 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -14.948 3.563 -4.909 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -16.443 3.280 -5.808 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -16.091 -0.227 -5.825 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -17.087 1.144 -6.324 1.00 0.00 H new ATOM 709 N ASP A 49 -10.256 1.621 -0.094 1.00 0.00 N ATOM 710 CA ASP A 49 -10.708 1.201 1.227 1.00 0.00 C ATOM 711 C ASP A 49 -12.098 0.576 1.153 1.00 0.00 C ATOM 712 O ASP A 49 -13.106 1.281 1.136 1.00 0.00 O ATOM 713 CB ASP A 49 -10.721 2.391 2.188 1.00 0.00 C ATOM 714 CG ASP A 49 -11.094 1.990 3.601 1.00 0.00 C ATOM 715 OD1 ASP A 49 -12.304 1.935 3.902 1.00 0.00 O ATOM 716 OD2 ASP A 49 -10.175 1.732 4.407 1.00 0.00 O ATOM 0 H ASP A 49 -9.898 2.575 -0.133 1.00 0.00 H new ATOM 0 HA ASP A 49 -10.011 0.450 1.600 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -9.737 2.860 2.194 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -11.428 3.138 1.827 1.00 0.00 H new ATOM 721 N GLY A 50 -12.143 -0.752 1.106 1.00 0.00 N ATOM 722 CA GLY A 50 -13.414 -1.449 1.033 1.00 0.00 C ATOM 723 C GLY A 50 -13.475 -2.642 1.965 1.00 0.00 C ATOM 724 O GLY A 50 -12.759 -2.694 2.966 1.00 0.00 O ATOM 0 H GLY A 50 -11.322 -1.357 1.117 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -14.219 -0.757 1.280 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -13.584 -1.783 0.009 1.00 0.00 H new ATOM 728 N ASP A 51 -14.333 -3.602 1.639 1.00 0.00 N ATOM 729 CA ASP A 51 -14.487 -4.801 2.456 1.00 0.00 C ATOM 730 C ASP A 51 -13.245 -5.682 2.366 1.00 0.00 C ATOM 731 O ASP A 51 -12.530 -5.867 3.351 1.00 0.00 O ATOM 732 CB ASP A 51 -15.720 -5.590 2.015 1.00 0.00 C ATOM 733 CG ASP A 51 -17.014 -4.947 2.476 1.00 0.00 C ATOM 734 OD1 ASP A 51 -17.247 -4.896 3.701 1.00 0.00 O ATOM 735 OD2 ASP A 51 -17.793 -4.495 1.610 1.00 0.00 O ATOM 0 H ASP A 51 -14.933 -3.574 0.815 1.00 0.00 H new ATOM 0 HA ASP A 51 -14.616 -4.490 3.493 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -15.726 -5.672 0.928 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -15.660 -6.604 2.411 1.00 0.00 H new ATOM 740 N ARG A 52 -12.995 -6.224 1.178 1.00 0.00 N ATOM 741 CA ARG A 52 -11.841 -7.087 0.960 1.00 0.00 C ATOM 742 C ARG A 52 -10.542 -6.292 1.048 1.00 0.00 C ATOM 743 O ARG A 52 -9.498 -6.827 1.422 1.00 0.00 O ATOM 744 CB ARG A 52 -11.940 -7.772 -0.404 1.00 0.00 C ATOM 745 CG ARG A 52 -12.012 -6.800 -1.570 1.00 0.00 C ATOM 746 CD ARG A 52 -12.763 -7.398 -2.749 1.00 0.00 C ATOM 747 NE ARG A 52 -14.185 -7.567 -2.464 1.00 0.00 N ATOM 748 CZ ARG A 52 -15.036 -6.553 -2.345 1.00 0.00 C ATOM 749 NH1 ARG A 52 -14.610 -5.306 -2.487 1.00 0.00 N ATOM 750 NH2 ARG A 52 -16.316 -6.787 -2.084 1.00 0.00 N ATOM 0 H ARG A 52 -13.576 -6.080 0.352 1.00 0.00 H new ATOM 0 HA ARG A 52 -11.835 -7.847 1.742 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -11.076 -8.423 -0.538 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -12.824 -8.409 -0.418 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -12.506 -5.883 -1.250 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -11.003 -6.527 -1.880 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -12.642 -6.754 -3.620 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -12.327 -8.364 -3.004 1.00 0.00 H new ATOM 0 HE ARG A 52 -14.545 -8.515 -2.350 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -13.627 -5.123 -2.688 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -15.265 -4.530 -2.395 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -16.647 -7.745 -1.975 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -16.969 -6.008 -1.993 1.00 0.00 H new ATOM 764 N TYR A 53 -10.613 -5.012 0.702 1.00 0.00 N ATOM 765 CA TYR A 53 -9.443 -4.143 0.739 1.00 0.00 C ATOM 766 C TYR A 53 -9.393 -3.352 2.042 1.00 0.00 C ATOM 767 O TYR A 53 -10.109 -2.364 2.210 1.00 0.00 O ATOM 768 CB TYR A 53 -9.456 -3.184 -0.453 1.00 0.00 C ATOM 769 CG TYR A 53 -9.145 -3.854 -1.773 1.00 0.00 C ATOM 770 CD1 TYR A 53 -7.843 -4.204 -2.107 1.00 0.00 C ATOM 771 CD2 TYR A 53 -10.154 -4.136 -2.685 1.00 0.00 C ATOM 772 CE1 TYR A 53 -7.555 -4.815 -3.312 1.00 0.00 C ATOM 773 CE2 TYR A 53 -9.875 -4.748 -3.892 1.00 0.00 C ATOM 774 CZ TYR A 53 -8.574 -5.086 -4.200 1.00 0.00 C ATOM 775 OH TYR A 53 -8.292 -5.695 -5.402 1.00 0.00 O ATOM 0 H TYR A 53 -11.469 -4.553 0.392 1.00 0.00 H new ATOM 0 HA TYR A 53 -8.554 -4.771 0.682 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -10.436 -2.711 -0.517 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -8.730 -2.390 -0.278 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -7.042 -3.995 -1.413 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -11.174 -3.872 -2.447 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -6.537 -5.079 -3.557 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -10.671 -4.960 -4.590 1.00 0.00 H new ATOM 0 HH TYR A 53 -9.121 -5.815 -5.910 1.00 0.00 H new ATOM 785 N ILE A 54 -8.541 -3.793 2.962 1.00 0.00 N ATOM 786 CA ILE A 54 -8.396 -3.126 4.250 1.00 0.00 C ATOM 787 C ILE A 54 -7.346 -2.021 4.181 1.00 0.00 C ATOM 788 O ILE A 54 -6.157 -2.266 4.388 1.00 0.00 O ATOM 789 CB ILE A 54 -8.006 -4.121 5.358 1.00 0.00 C ATOM 790 CG1 ILE A 54 -9.056 -5.228 5.473 1.00 0.00 C ATOM 791 CG2 ILE A 54 -7.844 -3.398 6.687 1.00 0.00 C ATOM 792 CD1 ILE A 54 -8.637 -6.367 6.376 1.00 0.00 C ATOM 0 H ILE A 54 -7.941 -4.609 2.839 1.00 0.00 H new ATOM 0 HA ILE A 54 -9.365 -2.689 4.491 1.00 0.00 H new ATOM 0 HB ILE A 54 -7.051 -4.577 5.096 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -9.985 -4.799 5.850 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -9.267 -5.622 4.479 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -7.568 -4.115 7.460 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -7.063 -2.643 6.598 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -8.784 -2.917 6.957 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -9.429 -7.115 6.410 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -7.725 -6.822 5.989 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -8.454 -5.986 7.381 1.00 0.00 H new ATOM 804 N LEU A 55 -7.794 -0.805 3.891 1.00 0.00 N ATOM 805 CA LEU A 55 -6.894 0.339 3.797 1.00 0.00 C ATOM 806 C LEU A 55 -6.866 1.119 5.108 1.00 0.00 C ATOM 807 O LEU A 55 -7.890 1.268 5.775 1.00 0.00 O ATOM 808 CB LEU A 55 -7.324 1.259 2.653 1.00 0.00 C ATOM 809 CG LEU A 55 -7.084 0.729 1.239 1.00 0.00 C ATOM 810 CD1 LEU A 55 -5.709 1.143 0.740 1.00 0.00 C ATOM 811 CD2 LEU A 55 -7.232 -0.786 1.205 1.00 0.00 C ATOM 0 H LEU A 55 -8.775 -0.586 3.717 1.00 0.00 H new ATOM 0 HA LEU A 55 -5.890 -0.036 3.596 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -8.387 1.471 2.764 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -6.797 2.207 2.758 1.00 0.00 H new ATOM 0 HG LEU A 55 -7.834 1.163 0.577 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.556 0.757 -0.268 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.639 2.231 0.726 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -4.944 0.739 1.403 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -7.058 -1.146 0.191 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -6.505 -1.238 1.880 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -8.239 -1.060 1.519 1.00 0.00 H new ATOM 823 N ARG A 56 -5.687 1.616 5.469 1.00 0.00 N ATOM 824 CA ARG A 56 -5.526 2.381 6.700 1.00 0.00 C ATOM 825 C ARG A 56 -4.605 3.578 6.479 1.00 0.00 C ATOM 826 O ARG A 56 -3.891 3.646 5.479 1.00 0.00 O ATOM 827 CB ARG A 56 -4.965 1.490 7.810 1.00 0.00 C ATOM 828 CG ARG A 56 -5.995 0.553 8.418 1.00 0.00 C ATOM 829 CD ARG A 56 -5.476 -0.094 9.693 1.00 0.00 C ATOM 830 NE ARG A 56 -6.526 -0.815 10.407 1.00 0.00 N ATOM 831 CZ ARG A 56 -6.918 -2.044 10.091 1.00 0.00 C ATOM 832 NH1 ARG A 56 -6.351 -2.685 9.078 1.00 0.00 N ATOM 833 NH2 ARG A 56 -7.880 -2.635 10.788 1.00 0.00 N ATOM 0 H ARG A 56 -4.830 1.503 4.927 1.00 0.00 H new ATOM 0 HA ARG A 56 -6.507 2.749 7.001 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -4.141 0.900 7.409 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -4.551 2.121 8.597 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -6.908 1.107 8.635 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -6.255 -0.221 7.696 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -4.667 -0.782 9.447 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -5.056 0.673 10.344 1.00 0.00 H new ATOM 0 HE ARG A 56 -6.983 -0.350 11.191 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -5.612 -2.234 8.539 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -6.654 -3.629 8.838 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -8.319 -2.145 11.568 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -8.180 -3.579 10.544 1.00 0.00 H new ATOM 847 N GLN A 57 -4.629 4.518 7.418 1.00 0.00 N ATOM 848 CA GLN A 57 -3.798 5.712 7.325 1.00 0.00 C ATOM 849 C GLN A 57 -3.669 6.393 8.683 1.00 0.00 C ATOM 850 O GLN A 57 -4.640 6.933 9.212 1.00 0.00 O ATOM 851 CB GLN A 57 -4.385 6.689 6.305 1.00 0.00 C ATOM 852 CG GLN A 57 -3.455 7.842 5.962 1.00 0.00 C ATOM 853 CD GLN A 57 -4.058 8.797 4.951 1.00 0.00 C ATOM 854 OE1 GLN A 57 -5.278 8.882 4.811 1.00 0.00 O ATOM 855 NE2 GLN A 57 -3.203 9.523 4.240 1.00 0.00 N ATOM 0 H GLN A 57 -5.215 4.476 8.252 1.00 0.00 H new ATOM 0 HA GLN A 57 -2.804 5.408 6.996 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -4.628 6.146 5.392 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -5.320 7.091 6.696 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -3.210 8.389 6.872 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -2.520 7.445 5.568 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -2.199 9.420 4.389 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -3.550 10.184 3.545 1.00 0.00 H new ATOM 864 N GLU A 58 -2.463 6.362 9.243 1.00 0.00 N ATOM 865 CA GLU A 58 -2.208 6.976 10.541 1.00 0.00 C ATOM 866 C GLU A 58 -1.437 8.283 10.382 1.00 0.00 C ATOM 867 O GLU A 58 -0.822 8.772 11.329 1.00 0.00 O ATOM 868 CB GLU A 58 -1.427 6.016 11.439 1.00 0.00 C ATOM 869 CG GLU A 58 -2.252 4.841 11.938 1.00 0.00 C ATOM 870 CD GLU A 58 -1.393 3.696 12.438 1.00 0.00 C ATOM 871 OE1 GLU A 58 -0.588 3.917 13.366 1.00 0.00 O ATOM 872 OE2 GLU A 58 -1.527 2.576 11.900 1.00 0.00 O ATOM 0 H GLU A 58 -1.648 5.919 8.818 1.00 0.00 H new ATOM 0 HA GLU A 58 -3.169 7.196 11.006 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -0.566 5.637 10.889 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -1.040 6.567 12.296 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -2.907 5.177 12.742 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -2.894 4.484 11.132 1.00 0.00 H new ATOM 879 N GLY A 59 -1.475 8.844 9.177 1.00 0.00 N ATOM 880 CA GLY A 59 -0.776 10.089 8.916 1.00 0.00 C ATOM 881 C GLY A 59 -0.082 10.092 7.568 1.00 0.00 C ATOM 882 O GLY A 59 -0.707 9.839 6.538 1.00 0.00 O ATOM 0 H GLY A 59 -1.977 8.459 8.377 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -1.485 10.916 8.958 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -0.039 10.260 9.701 1.00 0.00 H new ATOM 886 N THR A 60 1.216 10.380 7.573 1.00 0.00 N ATOM 887 CA THR A 60 1.995 10.418 6.342 1.00 0.00 C ATOM 888 C THR A 60 2.260 9.012 5.816 1.00 0.00 C ATOM 889 O THR A 60 2.925 8.837 4.795 1.00 0.00 O ATOM 890 CB THR A 60 3.341 11.138 6.551 1.00 0.00 C ATOM 891 OG1 THR A 60 4.006 10.608 7.704 1.00 0.00 O ATOM 892 CG2 THR A 60 3.134 12.635 6.722 1.00 0.00 C ATOM 0 H THR A 60 1.750 10.590 8.416 1.00 0.00 H new ATOM 0 HA THR A 60 1.405 10.971 5.611 1.00 0.00 H new ATOM 0 HB THR A 60 3.958 10.972 5.668 1.00 0.00 H new ATOM 0 HG1 THR A 60 4.861 11.069 7.829 1.00 0.00 H new ATOM 0 HG21 THR A 60 4.098 13.121 6.868 1.00 0.00 H new ATOM 0 HG22 THR A 60 2.655 13.040 5.831 1.00 0.00 H new ATOM 0 HG23 THR A 60 2.500 12.818 7.590 1.00 0.00 H new ATOM 900 N ARG A 61 1.735 8.014 6.518 1.00 0.00 N ATOM 901 CA ARG A 61 1.915 6.623 6.121 1.00 0.00 C ATOM 902 C ARG A 61 0.584 5.996 5.716 1.00 0.00 C ATOM 903 O ARG A 61 -0.412 6.116 6.430 1.00 0.00 O ATOM 904 CB ARG A 61 2.543 5.821 7.263 1.00 0.00 C ATOM 905 CG ARG A 61 2.663 4.335 6.969 1.00 0.00 C ATOM 906 CD ARG A 61 3.608 3.649 7.944 1.00 0.00 C ATOM 907 NE ARG A 61 3.709 2.214 7.691 1.00 0.00 N ATOM 908 CZ ARG A 61 4.184 1.344 8.575 1.00 0.00 C ATOM 909 NH1 ARG A 61 4.599 1.760 9.763 1.00 0.00 N ATOM 910 NH2 ARG A 61 4.244 0.054 8.271 1.00 0.00 N ATOM 0 H ARG A 61 1.181 8.143 7.365 1.00 0.00 H new ATOM 0 HA ARG A 61 2.584 6.601 5.260 1.00 0.00 H new ATOM 0 HB2 ARG A 61 3.534 6.222 7.475 1.00 0.00 H new ATOM 0 HB3 ARG A 61 1.944 5.957 8.164 1.00 0.00 H new ATOM 0 HG2 ARG A 61 1.679 3.871 7.027 1.00 0.00 H new ATOM 0 HG3 ARG A 61 3.023 4.192 5.950 1.00 0.00 H new ATOM 0 HD2 ARG A 61 4.597 4.101 7.869 1.00 0.00 H new ATOM 0 HD3 ARG A 61 3.259 3.814 8.963 1.00 0.00 H new ATOM 0 HE ARG A 61 3.398 1.861 6.786 1.00 0.00 H new ATOM 0 HH11 ARG A 61 4.554 2.751 10.001 1.00 0.00 H new ATOM 0 HH12 ARG A 61 4.963 1.089 10.440 1.00 0.00 H new ATOM 0 HH21 ARG A 61 3.925 -0.270 7.358 1.00 0.00 H new ATOM 0 HH22 ARG A 61 4.609 -0.614 8.950 1.00 0.00 H new ATOM 924 N CYS A 62 0.576 5.328 4.568 1.00 0.00 N ATOM 925 CA CYS A 62 -0.633 4.683 4.067 1.00 0.00 C ATOM 926 C CYS A 62 -0.445 3.173 3.976 1.00 0.00 C ATOM 927 O CYS A 62 0.363 2.685 3.186 1.00 0.00 O ATOM 928 CB CYS A 62 -1.006 5.247 2.695 1.00 0.00 C ATOM 929 SG CYS A 62 -1.139 7.050 2.649 1.00 0.00 S ATOM 0 H CYS A 62 1.393 5.219 3.967 1.00 0.00 H new ATOM 0 HA CYS A 62 -1.442 4.888 4.768 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -0.258 4.930 1.968 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -1.957 4.815 2.383 1.00 0.00 H new ATOM 0 HG CYS A 62 -2.359 7.402 2.926 1.00 0.00 H new ATOM 935 N GLU A 63 -1.197 2.438 4.790 1.00 0.00 N ATOM 936 CA GLU A 63 -1.110 0.982 4.802 1.00 0.00 C ATOM 937 C GLU A 63 -2.234 0.364 3.975 1.00 0.00 C ATOM 938 O GLU A 63 -3.384 0.800 4.044 1.00 0.00 O ATOM 939 CB GLU A 63 -1.171 0.457 6.238 1.00 0.00 C ATOM 940 CG GLU A 63 -0.152 1.100 7.164 1.00 0.00 C ATOM 941 CD GLU A 63 -0.502 0.922 8.629 1.00 0.00 C ATOM 942 OE1 GLU A 63 -0.379 -0.212 9.136 1.00 0.00 O ATOM 943 OE2 GLU A 63 -0.898 1.919 9.269 1.00 0.00 O ATOM 0 H GLU A 63 -1.872 2.826 5.449 1.00 0.00 H new ATOM 0 HA GLU A 63 -0.156 0.697 4.359 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -2.171 0.628 6.637 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.012 -0.621 6.229 1.00 0.00 H new ATOM 0 HG2 GLU A 63 0.830 0.668 6.974 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -0.081 2.164 6.938 1.00 0.00 H new ATOM 950 N LEU A 64 -1.893 -0.654 3.192 1.00 0.00 N ATOM 951 CA LEU A 64 -2.872 -1.333 2.351 1.00 0.00 C ATOM 952 C LEU A 64 -2.811 -2.844 2.556 1.00 0.00 C ATOM 953 O LEU A 64 -1.732 -3.434 2.573 1.00 0.00 O ATOM 954 CB LEU A 64 -2.629 -0.997 0.879 1.00 0.00 C ATOM 955 CG LEU A 64 -3.048 -2.065 -0.132 1.00 0.00 C ATOM 956 CD1 LEU A 64 -4.563 -2.113 -0.260 1.00 0.00 C ATOM 957 CD2 LEU A 64 -2.405 -1.800 -1.486 1.00 0.00 C ATOM 0 H LEU A 64 -0.946 -1.027 3.122 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.864 -0.985 2.638 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -3.161 -0.075 0.645 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.567 -0.795 0.744 1.00 0.00 H new ATOM 0 HG LEU A 64 -2.703 -3.034 0.228 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -4.843 -2.879 -0.984 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -5.003 -2.351 0.709 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -4.931 -1.144 -0.597 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -2.714 -2.570 -2.193 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -2.719 -0.823 -1.853 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.320 -1.817 -1.383 1.00 0.00 H new ATOM 969 N GLN A 65 -3.978 -3.462 2.708 1.00 0.00 N ATOM 970 CA GLN A 65 -4.057 -4.904 2.910 1.00 0.00 C ATOM 971 C GLN A 65 -5.036 -5.539 1.927 1.00 0.00 C ATOM 972 O GLN A 65 -6.192 -5.125 1.834 1.00 0.00 O ATOM 973 CB GLN A 65 -4.482 -5.217 4.345 1.00 0.00 C ATOM 974 CG GLN A 65 -3.313 -5.379 5.304 1.00 0.00 C ATOM 975 CD GLN A 65 -3.674 -5.014 6.731 1.00 0.00 C ATOM 976 OE1 GLN A 65 -4.305 -3.987 6.981 1.00 0.00 O ATOM 977 NE2 GLN A 65 -3.274 -5.856 7.676 1.00 0.00 N ATOM 0 H GLN A 65 -4.881 -2.987 2.695 1.00 0.00 H new ATOM 0 HA GLN A 65 -3.067 -5.325 2.732 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -5.129 -4.418 4.706 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -5.074 -6.132 4.348 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -2.964 -6.411 5.274 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -2.485 -4.753 4.971 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -2.753 -6.696 7.424 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -3.488 -5.663 8.655 1.00 0.00 H new ATOM 986 N ILE A 66 -4.565 -6.544 1.197 1.00 0.00 N ATOM 987 CA ILE A 66 -5.400 -7.235 0.222 1.00 0.00 C ATOM 988 C ILE A 66 -5.820 -8.609 0.734 1.00 0.00 C ATOM 989 O ILE A 66 -5.116 -9.600 0.532 1.00 0.00 O ATOM 990 CB ILE A 66 -4.673 -7.402 -1.125 1.00 0.00 C ATOM 991 CG1 ILE A 66 -4.121 -6.057 -1.601 1.00 0.00 C ATOM 992 CG2 ILE A 66 -5.612 -7.993 -2.165 1.00 0.00 C ATOM 993 CD1 ILE A 66 -2.866 -6.180 -2.437 1.00 0.00 C ATOM 0 H ILE A 66 -3.611 -6.898 1.262 1.00 0.00 H new ATOM 0 HA ILE A 66 -6.286 -6.618 0.073 1.00 0.00 H new ATOM 0 HB ILE A 66 -3.838 -8.089 -0.987 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -4.887 -5.545 -2.183 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -3.910 -5.433 -0.733 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -5.083 -8.105 -3.111 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -5.961 -8.969 -1.827 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -6.466 -7.330 -2.303 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.531 -5.188 -2.739 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -2.084 -6.664 -1.851 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -3.077 -6.778 -3.324 1.00 0.00 H new ATOM 1005 N CYS A 67 -6.970 -8.661 1.396 1.00 0.00 N ATOM 1006 CA CYS A 67 -7.485 -9.915 1.936 1.00 0.00 C ATOM 1007 C CYS A 67 -7.783 -10.908 0.818 1.00 0.00 C ATOM 1008 O CYS A 67 -8.583 -10.631 -0.075 1.00 0.00 O ATOM 1009 CB CYS A 67 -8.749 -9.659 2.758 1.00 0.00 C ATOM 1010 SG CYS A 67 -8.439 -8.938 4.386 1.00 0.00 S ATOM 0 H CYS A 67 -7.564 -7.850 1.572 1.00 0.00 H new ATOM 0 HA CYS A 67 -6.720 -10.344 2.583 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -9.405 -8.994 2.197 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -9.283 -10.601 2.886 1.00 0.00 H new ATOM 0 HG CYS A 67 -9.569 -8.757 5.003 1.00 0.00 H new ATOM 1016 N GLY A 68 -7.130 -12.065 0.872 1.00 0.00 N ATOM 1017 CA GLY A 68 -7.337 -13.081 -0.144 1.00 0.00 C ATOM 1018 C GLY A 68 -6.359 -12.958 -1.295 1.00 0.00 C ATOM 1019 O GLY A 68 -6.727 -12.530 -2.390 1.00 0.00 O ATOM 0 H GLY A 68 -6.462 -12.317 1.600 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -7.239 -14.068 0.308 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -8.355 -13.006 -0.527 1.00 0.00 H new ATOM 1023 N LEU A 69 -5.108 -13.332 -1.049 1.00 0.00 N ATOM 1024 CA LEU A 69 -4.072 -13.260 -2.073 1.00 0.00 C ATOM 1025 C LEU A 69 -4.191 -14.425 -3.051 1.00 0.00 C ATOM 1026 O LEU A 69 -4.860 -15.419 -2.769 1.00 0.00 O ATOM 1027 CB LEU A 69 -2.686 -13.263 -1.426 1.00 0.00 C ATOM 1028 CG LEU A 69 -2.195 -11.918 -0.888 1.00 0.00 C ATOM 1029 CD1 LEU A 69 -0.968 -12.111 -0.010 1.00 0.00 C ATOM 1030 CD2 LEU A 69 -1.889 -10.965 -2.034 1.00 0.00 C ATOM 0 H LEU A 69 -4.787 -13.688 -0.149 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.206 -12.330 -2.625 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.691 -13.980 -0.605 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.965 -13.624 -2.160 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.987 -11.480 -0.280 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.632 -11.144 0.364 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.220 -12.757 0.831 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.171 -12.570 -0.595 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.541 -10.013 -1.633 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.115 -11.396 -2.669 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.792 -10.802 -2.623 1.00 0.00 H new ATOM 1042 N ALA A 70 -3.537 -14.296 -4.200 1.00 0.00 N ATOM 1043 CA ALA A 70 -3.566 -15.339 -5.218 1.00 0.00 C ATOM 1044 C ALA A 70 -2.579 -15.038 -6.341 1.00 0.00 C ATOM 1045 O ALA A 70 -2.237 -13.882 -6.586 1.00 0.00 O ATOM 1046 CB ALA A 70 -4.973 -15.493 -5.776 1.00 0.00 C ATOM 0 H ALA A 70 -2.980 -13.479 -4.450 1.00 0.00 H new ATOM 0 HA ALA A 70 -3.268 -16.277 -4.750 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -4.980 -16.275 -6.535 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -5.656 -15.763 -4.971 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -5.292 -14.551 -6.222 1.00 0.00 H new ATOM 1052 N MET A 71 -2.125 -16.086 -7.020 1.00 0.00 N ATOM 1053 CA MET A 71 -1.177 -15.933 -8.117 1.00 0.00 C ATOM 1054 C MET A 71 -1.472 -14.668 -8.917 1.00 0.00 C ATOM 1055 O MET A 71 -0.557 -13.996 -9.392 1.00 0.00 O ATOM 1056 CB MET A 71 -1.227 -17.155 -9.037 1.00 0.00 C ATOM 1057 CG MET A 71 -0.841 -18.452 -8.345 1.00 0.00 C ATOM 1058 SD MET A 71 0.933 -18.770 -8.402 1.00 0.00 S ATOM 1059 CE MET A 71 1.395 -18.418 -6.708 1.00 0.00 C ATOM 0 H MET A 71 -2.398 -17.050 -6.830 1.00 0.00 H new ATOM 0 HA MET A 71 -0.177 -15.848 -7.691 1.00 0.00 H new ATOM 0 HB2 MET A 71 -2.234 -17.254 -9.441 1.00 0.00 H new ATOM 0 HB3 MET A 71 -0.559 -16.991 -9.882 1.00 0.00 H new ATOM 0 HG2 MET A 71 -1.166 -18.415 -7.305 1.00 0.00 H new ATOM 0 HG3 MET A 71 -1.370 -19.281 -8.815 1.00 0.00 H new ATOM 0 HE1 MET A 71 2.390 -18.817 -6.512 1.00 0.00 H new ATOM 0 HE2 MET A 71 1.398 -17.340 -6.548 1.00 0.00 H new ATOM 0 HE3 MET A 71 0.678 -18.883 -6.031 1.00 0.00 H new ATOM 1069 N ALA A 72 -2.754 -14.351 -9.063 1.00 0.00 N ATOM 1070 CA ALA A 72 -3.168 -13.166 -9.803 1.00 0.00 C ATOM 1071 C ALA A 72 -2.670 -11.893 -9.126 1.00 0.00 C ATOM 1072 O ALA A 72 -2.099 -11.017 -9.775 1.00 0.00 O ATOM 1073 CB ALA A 72 -4.683 -13.133 -9.943 1.00 0.00 C ATOM 0 H ALA A 72 -3.524 -14.899 -8.678 1.00 0.00 H new ATOM 0 HA ALA A 72 -2.723 -13.216 -10.797 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -4.978 -12.242 -10.498 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -5.018 -14.021 -10.478 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -5.139 -13.112 -8.953 1.00 0.00 H new ATOM 1079 N ASP A 73 -2.892 -11.798 -7.820 1.00 0.00 N ATOM 1080 CA ASP A 73 -2.465 -10.632 -7.055 1.00 0.00 C ATOM 1081 C ASP A 73 -1.037 -10.237 -7.418 1.00 0.00 C ATOM 1082 O ASP A 73 -0.704 -9.053 -7.468 1.00 0.00 O ATOM 1083 CB ASP A 73 -2.564 -10.916 -5.555 1.00 0.00 C ATOM 1084 CG ASP A 73 -3.982 -10.790 -5.034 1.00 0.00 C ATOM 1085 OD1 ASP A 73 -4.712 -11.802 -5.051 1.00 0.00 O ATOM 1086 OD2 ASP A 73 -4.362 -9.678 -4.611 1.00 0.00 O ATOM 0 H ASP A 73 -3.365 -12.514 -7.269 1.00 0.00 H new ATOM 0 HA ASP A 73 -3.126 -9.802 -7.304 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -2.194 -11.921 -5.353 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -1.918 -10.224 -5.014 1.00 0.00 H new ATOM 1091 N ALA A 74 -0.198 -11.236 -7.669 1.00 0.00 N ATOM 1092 CA ALA A 74 1.194 -10.993 -8.028 1.00 0.00 C ATOM 1093 C ALA A 74 1.295 -10.183 -9.316 1.00 0.00 C ATOM 1094 O ALA A 74 0.958 -10.669 -10.394 1.00 0.00 O ATOM 1095 CB ALA A 74 1.940 -12.311 -8.171 1.00 0.00 C ATOM 0 H ALA A 74 -0.458 -12.222 -7.630 1.00 0.00 H new ATOM 0 HA ALA A 74 1.654 -10.413 -7.228 1.00 0.00 H new ATOM 0 HB1 ALA A 74 2.978 -12.114 -8.439 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.906 -12.853 -7.226 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.471 -12.912 -8.951 1.00 0.00 H new ATOM 1101 N GLY A 75 1.761 -8.943 -9.195 1.00 0.00 N ATOM 1102 CA GLY A 75 1.898 -8.086 -10.357 1.00 0.00 C ATOM 1103 C GLY A 75 2.605 -6.783 -10.037 1.00 0.00 C ATOM 1104 O GLY A 75 3.762 -6.785 -9.619 1.00 0.00 O ATOM 0 H GLY A 75 2.046 -8.518 -8.313 1.00 0.00 H new ATOM 0 HA2 GLY A 75 2.452 -8.616 -11.132 1.00 0.00 H new ATOM 0 HA3 GLY A 75 0.910 -7.869 -10.763 1.00 0.00 H new ATOM 1108 N GLU A 76 1.908 -5.669 -10.236 1.00 0.00 N ATOM 1109 CA GLU A 76 2.478 -4.354 -9.967 1.00 0.00 C ATOM 1110 C GLU A 76 1.429 -3.416 -9.376 1.00 0.00 C ATOM 1111 O GLU A 76 0.431 -3.098 -10.022 1.00 0.00 O ATOM 1112 CB GLU A 76 3.052 -3.751 -11.251 1.00 0.00 C ATOM 1113 CG GLU A 76 3.288 -2.252 -11.167 1.00 0.00 C ATOM 1114 CD GLU A 76 4.164 -1.736 -12.291 1.00 0.00 C ATOM 1115 OE1 GLU A 76 5.391 -1.960 -12.240 1.00 0.00 O ATOM 1116 OE2 GLU A 76 3.621 -1.107 -13.224 1.00 0.00 O ATOM 0 H GLU A 76 0.949 -5.651 -10.582 1.00 0.00 H new ATOM 0 HA GLU A 76 3.281 -4.476 -9.240 1.00 0.00 H new ATOM 0 HB2 GLU A 76 3.994 -4.246 -11.485 1.00 0.00 H new ATOM 0 HB3 GLU A 76 2.370 -3.957 -12.076 1.00 0.00 H new ATOM 0 HG2 GLU A 76 2.329 -1.735 -11.192 1.00 0.00 H new ATOM 0 HG3 GLU A 76 3.753 -2.014 -10.210 1.00 0.00 H new ATOM 1123 N TYR A 77 1.663 -2.979 -8.144 1.00 0.00 N ATOM 1124 CA TYR A 77 0.738 -2.080 -7.464 1.00 0.00 C ATOM 1125 C TYR A 77 1.246 -0.642 -7.505 1.00 0.00 C ATOM 1126 O TYR A 77 2.441 -0.388 -7.348 1.00 0.00 O ATOM 1127 CB TYR A 77 0.540 -2.521 -6.013 1.00 0.00 C ATOM 1128 CG TYR A 77 -0.244 -3.807 -5.872 1.00 0.00 C ATOM 1129 CD1 TYR A 77 0.308 -5.025 -6.248 1.00 0.00 C ATOM 1130 CD2 TYR A 77 -1.537 -3.803 -5.365 1.00 0.00 C ATOM 1131 CE1 TYR A 77 -0.405 -6.202 -6.123 1.00 0.00 C ATOM 1132 CE2 TYR A 77 -2.257 -4.975 -5.234 1.00 0.00 C ATOM 1133 CZ TYR A 77 -1.686 -6.171 -5.614 1.00 0.00 C ATOM 1134 OH TYR A 77 -2.400 -7.341 -5.487 1.00 0.00 O ATOM 0 H TYR A 77 2.485 -3.232 -7.596 1.00 0.00 H new ATOM 0 HA TYR A 77 -0.219 -2.123 -7.984 1.00 0.00 H new ATOM 0 HB2 TYR A 77 1.516 -2.647 -5.544 1.00 0.00 H new ATOM 0 HB3 TYR A 77 0.025 -1.730 -5.469 1.00 0.00 H new ATOM 0 HD1 TYR A 77 1.312 -5.053 -6.645 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -1.988 -2.867 -5.068 1.00 0.00 H new ATOM 0 HE1 TYR A 77 0.038 -7.140 -6.422 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -3.261 -4.954 -4.836 1.00 0.00 H new ATOM 0 HH TYR A 77 -2.004 -8.030 -6.061 1.00 0.00 H new ATOM 1144 N LEU A 78 0.329 0.296 -7.716 1.00 0.00 N ATOM 1145 CA LEU A 78 0.682 1.710 -7.778 1.00 0.00 C ATOM 1146 C LEU A 78 -0.105 2.513 -6.747 1.00 0.00 C ATOM 1147 O LEU A 78 -1.297 2.280 -6.542 1.00 0.00 O ATOM 1148 CB LEU A 78 0.418 2.262 -9.180 1.00 0.00 C ATOM 1149 CG LEU A 78 1.282 1.684 -10.302 1.00 0.00 C ATOM 1150 CD1 LEU A 78 0.710 0.362 -10.789 1.00 0.00 C ATOM 1151 CD2 LEU A 78 1.395 2.675 -11.451 1.00 0.00 C ATOM 0 H LEU A 78 -0.664 0.103 -7.847 1.00 0.00 H new ATOM 0 HA LEU A 78 1.744 1.804 -7.552 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.629 2.086 -9.427 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.563 3.342 -9.157 1.00 0.00 H new ATOM 0 HG LEU A 78 2.281 1.500 -9.908 1.00 0.00 H new ATOM 0 HD11 LEU A 78 1.338 -0.034 -11.587 1.00 0.00 H new ATOM 0 HD12 LEU A 78 0.682 -0.349 -9.963 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -0.300 0.520 -11.167 1.00 0.00 H new ATOM 0 HD21 LEU A 78 2.013 2.248 -12.241 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.402 2.891 -11.844 1.00 0.00 H new ATOM 0 HD23 LEU A 78 1.851 3.598 -11.092 1.00 0.00 H new ATOM 1163 N CYS A 79 0.568 3.459 -6.102 1.00 0.00 N ATOM 1164 CA CYS A 79 -0.069 4.298 -5.093 1.00 0.00 C ATOM 1165 C CYS A 79 -0.121 5.753 -5.550 1.00 0.00 C ATOM 1166 O CYS A 79 0.898 6.443 -5.576 1.00 0.00 O ATOM 1167 CB CYS A 79 0.683 4.195 -3.765 1.00 0.00 C ATOM 1168 SG CYS A 79 -0.118 5.059 -2.394 1.00 0.00 S ATOM 0 H CYS A 79 1.555 3.664 -6.260 1.00 0.00 H new ATOM 0 HA CYS A 79 -1.090 3.943 -4.953 1.00 0.00 H new ATOM 0 HB2 CYS A 79 0.793 3.143 -3.503 1.00 0.00 H new ATOM 0 HB3 CYS A 79 1.688 4.597 -3.896 1.00 0.00 H new ATOM 0 HG CYS A 79 0.695 5.113 -1.381 1.00 0.00 H new ATOM 1174 N VAL A 80 -1.316 6.211 -5.910 1.00 0.00 N ATOM 1175 CA VAL A 80 -1.502 7.584 -6.366 1.00 0.00 C ATOM 1176 C VAL A 80 -1.851 8.507 -5.204 1.00 0.00 C ATOM 1177 O VAL A 80 -2.904 8.366 -4.581 1.00 0.00 O ATOM 1178 CB VAL A 80 -2.610 7.676 -7.432 1.00 0.00 C ATOM 1179 CG1 VAL A 80 -2.512 8.989 -8.193 1.00 0.00 C ATOM 1180 CG2 VAL A 80 -2.534 6.491 -8.383 1.00 0.00 C ATOM 0 H VAL A 80 -2.169 5.652 -5.895 1.00 0.00 H new ATOM 0 HA VAL A 80 -0.557 7.902 -6.807 1.00 0.00 H new ATOM 0 HB VAL A 80 -3.577 7.647 -6.929 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -3.303 9.036 -8.942 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -2.621 9.821 -7.498 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -1.542 9.052 -8.686 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -3.324 6.572 -9.129 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -1.564 6.485 -8.880 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -2.659 5.565 -7.821 1.00 0.00 H new ATOM 1190 N CYS A 81 -0.961 9.451 -4.918 1.00 0.00 N ATOM 1191 CA CYS A 81 -1.175 10.398 -3.830 1.00 0.00 C ATOM 1192 C CYS A 81 -1.330 11.817 -4.367 1.00 0.00 C ATOM 1193 O CYS A 81 -0.517 12.694 -4.077 1.00 0.00 O ATOM 1194 CB CYS A 81 -0.012 10.339 -2.839 1.00 0.00 C ATOM 1195 SG CYS A 81 -0.225 11.394 -1.386 1.00 0.00 S ATOM 0 H CYS A 81 -0.085 9.581 -5.424 1.00 0.00 H new ATOM 0 HA CYS A 81 -2.095 10.121 -3.316 1.00 0.00 H new ATOM 0 HB2 CYS A 81 0.119 9.308 -2.510 1.00 0.00 H new ATOM 0 HB3 CYS A 81 0.904 10.628 -3.353 1.00 0.00 H new ATOM 0 HG CYS A 81 -0.544 12.596 -1.765 1.00 0.00 H new ATOM 1201 N GLY A 82 -2.379 12.035 -5.153 1.00 0.00 N ATOM 1202 CA GLY A 82 -2.621 13.349 -5.720 1.00 0.00 C ATOM 1203 C GLY A 82 -2.008 13.508 -7.097 1.00 0.00 C ATOM 1204 O GLY A 82 -2.538 12.995 -8.082 1.00 0.00 O ATOM 0 H GLY A 82 -3.066 11.325 -5.408 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -3.695 13.522 -5.782 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -2.213 14.109 -5.054 1.00 0.00 H new ATOM 1208 N GLN A 83 -0.889 14.223 -7.166 1.00 0.00 N ATOM 1209 CA GLN A 83 -0.205 14.450 -8.433 1.00 0.00 C ATOM 1210 C GLN A 83 0.947 13.466 -8.614 1.00 0.00 C ATOM 1211 O GLN A 83 1.369 13.191 -9.737 1.00 0.00 O ATOM 1212 CB GLN A 83 0.319 15.885 -8.505 1.00 0.00 C ATOM 1213 CG GLN A 83 -0.738 16.899 -8.914 1.00 0.00 C ATOM 1214 CD GLN A 83 -0.310 18.328 -8.646 1.00 0.00 C ATOM 1215 OE1 GLN A 83 -0.072 19.101 -9.575 1.00 0.00 O ATOM 1216 NE2 GLN A 83 -0.210 18.688 -7.372 1.00 0.00 N ATOM 0 H GLN A 83 -0.438 14.655 -6.360 1.00 0.00 H new ATOM 0 HA GLN A 83 -0.923 14.293 -9.237 1.00 0.00 H new ATOM 0 HB2 GLN A 83 0.722 16.165 -7.532 1.00 0.00 H new ATOM 0 HB3 GLN A 83 1.144 15.926 -9.216 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -0.957 16.782 -9.975 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -1.662 16.693 -8.374 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -0.417 18.015 -6.634 1.00 0.00 H new ATOM 0 HE22 GLN A 83 0.074 19.638 -7.131 1.00 0.00 H new ATOM 1225 N GLU A 84 1.450 12.941 -7.502 1.00 0.00 N ATOM 1226 CA GLU A 84 2.554 11.989 -7.539 1.00 0.00 C ATOM 1227 C GLU A 84 2.044 10.558 -7.394 1.00 0.00 C ATOM 1228 O GLU A 84 0.877 10.334 -7.073 1.00 0.00 O ATOM 1229 CB GLU A 84 3.560 12.298 -6.428 1.00 0.00 C ATOM 1230 CG GLU A 84 4.282 13.623 -6.612 1.00 0.00 C ATOM 1231 CD GLU A 84 5.286 13.587 -7.747 1.00 0.00 C ATOM 1232 OE1 GLU A 84 4.857 13.539 -8.919 1.00 0.00 O ATOM 1233 OE2 GLU A 84 6.503 13.608 -7.463 1.00 0.00 O ATOM 0 H GLU A 84 1.111 13.158 -6.565 1.00 0.00 H new ATOM 0 HA GLU A 84 3.049 12.084 -8.505 1.00 0.00 H new ATOM 0 HB2 GLU A 84 3.040 12.307 -5.470 1.00 0.00 H new ATOM 0 HB3 GLU A 84 4.296 11.496 -6.383 1.00 0.00 H new ATOM 0 HG2 GLU A 84 3.550 14.408 -6.804 1.00 0.00 H new ATOM 0 HG3 GLU A 84 4.795 13.885 -5.686 1.00 0.00 H new ATOM 1240 N ARG A 85 2.926 9.594 -7.635 1.00 0.00 N ATOM 1241 CA ARG A 85 2.566 8.185 -7.534 1.00 0.00 C ATOM 1242 C ARG A 85 3.798 7.297 -7.679 1.00 0.00 C ATOM 1243 O ARG A 85 4.840 7.736 -8.168 1.00 0.00 O ATOM 1244 CB ARG A 85 1.533 7.823 -8.603 1.00 0.00 C ATOM 1245 CG ARG A 85 1.979 8.155 -10.018 1.00 0.00 C ATOM 1246 CD ARG A 85 1.249 7.306 -11.046 1.00 0.00 C ATOM 1247 NE ARG A 85 1.742 7.542 -12.400 1.00 0.00 N ATOM 1248 CZ ARG A 85 1.242 6.948 -13.478 1.00 0.00 C ATOM 1249 NH1 ARG A 85 0.240 6.088 -13.361 1.00 0.00 N ATOM 1250 NH2 ARG A 85 1.745 7.215 -14.677 1.00 0.00 N ATOM 0 H ARG A 85 3.896 9.763 -7.902 1.00 0.00 H new ATOM 0 HA ARG A 85 2.133 8.016 -6.548 1.00 0.00 H new ATOM 0 HB2 ARG A 85 1.316 6.757 -8.540 1.00 0.00 H new ATOM 0 HB3 ARG A 85 0.603 8.351 -8.391 1.00 0.00 H new ATOM 0 HG2 ARG A 85 1.796 9.210 -10.220 1.00 0.00 H new ATOM 0 HG3 ARG A 85 3.053 7.995 -10.109 1.00 0.00 H new ATOM 0 HD2 ARG A 85 1.368 6.252 -10.796 1.00 0.00 H new ATOM 0 HD3 ARG A 85 0.182 7.525 -11.005 1.00 0.00 H new ATOM 0 HE ARG A 85 2.512 8.199 -12.525 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -0.149 5.881 -12.441 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -0.142 5.634 -14.191 1.00 0.00 H new ATOM 0 HH21 ARG A 85 2.516 7.876 -14.771 1.00 0.00 H new ATOM 0 HH22 ARG A 85 1.361 6.759 -15.504 1.00 0.00 H new ATOM 1264 N THR A 86 3.672 6.045 -7.251 1.00 0.00 N ATOM 1265 CA THR A 86 4.775 5.095 -7.332 1.00 0.00 C ATOM 1266 C THR A 86 4.289 3.728 -7.800 1.00 0.00 C ATOM 1267 O THR A 86 3.093 3.519 -8.002 1.00 0.00 O ATOM 1268 CB THR A 86 5.482 4.938 -5.972 1.00 0.00 C ATOM 1269 OG1 THR A 86 6.419 3.858 -6.029 1.00 0.00 O ATOM 1270 CG2 THR A 86 4.473 4.683 -4.863 1.00 0.00 C ATOM 0 H THR A 86 2.817 5.665 -6.845 1.00 0.00 H new ATOM 0 HA THR A 86 5.484 5.494 -8.058 1.00 0.00 H new ATOM 0 HB THR A 86 6.011 5.866 -5.753 1.00 0.00 H new ATOM 0 HG1 THR A 86 6.865 3.766 -5.161 1.00 0.00 H new ATOM 0 HG21 THR A 86 4.996 4.576 -3.913 1.00 0.00 H new ATOM 0 HG22 THR A 86 3.779 5.521 -4.803 1.00 0.00 H new ATOM 0 HG23 THR A 86 3.920 3.769 -5.078 1.00 0.00 H new ATOM 1278 N SER A 87 5.225 2.799 -7.969 1.00 0.00 N ATOM 1279 CA SER A 87 4.893 1.451 -8.416 1.00 0.00 C ATOM 1280 C SER A 87 5.850 0.427 -7.814 1.00 0.00 C ATOM 1281 O SER A 87 7.047 0.681 -7.686 1.00 0.00 O ATOM 1282 CB SER A 87 4.938 1.372 -9.943 1.00 0.00 C ATOM 1283 OG SER A 87 6.274 1.306 -10.411 1.00 0.00 O ATOM 0 H SER A 87 6.219 2.955 -7.803 1.00 0.00 H new ATOM 0 HA SER A 87 3.883 1.221 -8.077 1.00 0.00 H new ATOM 0 HB2 SER A 87 4.387 0.494 -10.281 1.00 0.00 H new ATOM 0 HB3 SER A 87 4.442 2.244 -10.370 1.00 0.00 H new ATOM 0 HG SER A 87 6.276 1.254 -11.390 1.00 0.00 H new ATOM 1289 N ALA A 88 5.313 -0.731 -7.446 1.00 0.00 N ATOM 1290 CA ALA A 88 6.118 -1.795 -6.859 1.00 0.00 C ATOM 1291 C ALA A 88 5.794 -3.143 -7.495 1.00 0.00 C ATOM 1292 O ALA A 88 4.905 -3.245 -8.341 1.00 0.00 O ATOM 1293 CB ALA A 88 5.900 -1.853 -5.355 1.00 0.00 C ATOM 0 H ALA A 88 4.323 -0.957 -7.544 1.00 0.00 H new ATOM 0 HA ALA A 88 7.167 -1.573 -7.055 1.00 0.00 H new ATOM 0 HB1 ALA A 88 6.507 -2.652 -4.930 1.00 0.00 H new ATOM 0 HB2 ALA A 88 6.188 -0.901 -4.909 1.00 0.00 H new ATOM 0 HB3 ALA A 88 4.848 -2.047 -5.147 1.00 0.00 H new ATOM 1299 N THR A 89 6.522 -4.176 -7.083 1.00 0.00 N ATOM 1300 CA THR A 89 6.313 -5.518 -7.613 1.00 0.00 C ATOM 1301 C THR A 89 6.069 -6.520 -6.491 1.00 0.00 C ATOM 1302 O THR A 89 6.942 -6.757 -5.655 1.00 0.00 O ATOM 1303 CB THR A 89 7.519 -5.985 -8.450 1.00 0.00 C ATOM 1304 OG1 THR A 89 7.820 -5.015 -9.460 1.00 0.00 O ATOM 1305 CG2 THR A 89 7.238 -7.331 -9.100 1.00 0.00 C ATOM 0 H THR A 89 7.262 -4.109 -6.384 1.00 0.00 H new ATOM 0 HA THR A 89 5.432 -5.472 -8.253 1.00 0.00 H new ATOM 0 HB THR A 89 8.375 -6.093 -7.784 1.00 0.00 H new ATOM 0 HG1 THR A 89 8.589 -5.319 -9.986 1.00 0.00 H new ATOM 0 HG21 THR A 89 8.104 -7.640 -9.686 1.00 0.00 H new ATOM 0 HG22 THR A 89 7.039 -8.074 -8.327 1.00 0.00 H new ATOM 0 HG23 THR A 89 6.370 -7.245 -9.753 1.00 0.00 H new ATOM 1313 N LEU A 90 4.878 -7.108 -6.479 1.00 0.00 N ATOM 1314 CA LEU A 90 4.518 -8.087 -5.459 1.00 0.00 C ATOM 1315 C LEU A 90 4.674 -9.508 -5.990 1.00 0.00 C ATOM 1316 O LEU A 90 4.472 -9.766 -7.177 1.00 0.00 O ATOM 1317 CB LEU A 90 3.080 -7.861 -4.991 1.00 0.00 C ATOM 1318 CG LEU A 90 2.516 -8.904 -4.026 1.00 0.00 C ATOM 1319 CD1 LEU A 90 3.272 -8.875 -2.707 1.00 0.00 C ATOM 1320 CD2 LEU A 90 1.030 -8.670 -3.796 1.00 0.00 C ATOM 0 H LEU A 90 4.145 -6.924 -7.164 1.00 0.00 H new ATOM 0 HA LEU A 90 5.193 -7.958 -4.613 1.00 0.00 H new ATOM 0 HB2 LEU A 90 3.025 -6.884 -4.511 1.00 0.00 H new ATOM 0 HB3 LEU A 90 2.435 -7.822 -5.869 1.00 0.00 H new ATOM 0 HG LEU A 90 2.643 -9.890 -4.473 1.00 0.00 H new ATOM 0 HD11 LEU A 90 2.856 -9.624 -2.033 1.00 0.00 H new ATOM 0 HD12 LEU A 90 4.325 -9.092 -2.886 1.00 0.00 H new ATOM 0 HD13 LEU A 90 3.177 -7.888 -2.255 1.00 0.00 H new ATOM 0 HD21 LEU A 90 0.646 -9.422 -3.107 1.00 0.00 H new ATOM 0 HD22 LEU A 90 0.879 -7.677 -3.371 1.00 0.00 H new ATOM 0 HD23 LEU A 90 0.499 -8.743 -4.745 1.00 0.00 H new ATOM 1332 N THR A 91 5.034 -10.430 -5.102 1.00 0.00 N ATOM 1333 CA THR A 91 5.216 -11.826 -5.480 1.00 0.00 C ATOM 1334 C THR A 91 4.362 -12.746 -4.615 1.00 0.00 C ATOM 1335 O THR A 91 4.307 -12.592 -3.395 1.00 0.00 O ATOM 1336 CB THR A 91 6.691 -12.252 -5.362 1.00 0.00 C ATOM 1337 OG1 THR A 91 7.444 -11.720 -6.458 1.00 0.00 O ATOM 1338 CG2 THR A 91 6.817 -13.768 -5.343 1.00 0.00 C ATOM 0 H THR A 91 5.205 -10.235 -4.116 1.00 0.00 H new ATOM 0 HA THR A 91 4.902 -11.915 -6.520 1.00 0.00 H new ATOM 0 HB THR A 91 7.086 -11.859 -4.425 1.00 0.00 H new ATOM 0 HG1 THR A 91 8.381 -11.994 -6.375 1.00 0.00 H new ATOM 0 HG21 THR A 91 7.868 -14.045 -5.259 1.00 0.00 H new ATOM 0 HG22 THR A 91 6.267 -14.168 -4.491 1.00 0.00 H new ATOM 0 HG23 THR A 91 6.406 -14.179 -6.265 1.00 0.00 H new ATOM 1346 N ILE A 92 3.698 -13.703 -5.255 1.00 0.00 N ATOM 1347 CA ILE A 92 2.849 -14.649 -4.542 1.00 0.00 C ATOM 1348 C ILE A 92 3.461 -16.046 -4.542 1.00 0.00 C ATOM 1349 O ILE A 92 3.962 -16.515 -5.563 1.00 0.00 O ATOM 1350 CB ILE A 92 1.440 -14.719 -5.162 1.00 0.00 C ATOM 1351 CG1 ILE A 92 0.773 -13.343 -5.120 1.00 0.00 C ATOM 1352 CG2 ILE A 92 0.590 -15.748 -4.432 1.00 0.00 C ATOM 1353 CD1 ILE A 92 0.607 -12.793 -3.721 1.00 0.00 C ATOM 0 H ILE A 92 3.732 -13.843 -6.265 1.00 0.00 H new ATOM 0 HA ILE A 92 2.769 -14.290 -3.516 1.00 0.00 H new ATOM 0 HB ILE A 92 1.532 -15.026 -6.204 1.00 0.00 H new ATOM 0 HG12 ILE A 92 1.366 -12.643 -5.709 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -0.206 -13.409 -5.594 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -0.402 -15.785 -4.882 1.00 0.00 H new ATOM 0 HG22 ILE A 92 1.060 -16.728 -4.508 1.00 0.00 H new ATOM 0 HG23 ILE A 92 0.502 -15.468 -3.382 1.00 0.00 H new ATOM 0 HD11 ILE A 92 0.127 -11.815 -3.769 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -0.011 -13.472 -3.134 1.00 0.00 H new ATOM 0 HD13 ILE A 92 1.585 -12.695 -3.250 1.00 0.00 H new ATOM 1365 N ARG A 93 3.415 -16.706 -3.389 1.00 0.00 N ATOM 1366 CA ARG A 93 3.965 -18.049 -3.255 1.00 0.00 C ATOM 1367 C ARG A 93 2.850 -19.080 -3.105 1.00 0.00 C ATOM 1368 O ARG A 93 2.102 -19.062 -2.129 1.00 0.00 O ATOM 1369 CB ARG A 93 4.906 -18.121 -2.051 1.00 0.00 C ATOM 1370 CG ARG A 93 6.204 -17.354 -2.245 1.00 0.00 C ATOM 1371 CD ARG A 93 7.280 -18.229 -2.869 1.00 0.00 C ATOM 1372 NE ARG A 93 7.176 -18.270 -4.325 1.00 0.00 N ATOM 1373 CZ ARG A 93 7.884 -19.094 -5.089 1.00 0.00 C ATOM 1374 NH1 ARG A 93 8.743 -19.941 -4.539 1.00 0.00 N ATOM 1375 NH2 ARG A 93 7.733 -19.073 -6.408 1.00 0.00 N ATOM 0 H ARG A 93 3.002 -16.332 -2.534 1.00 0.00 H new ATOM 0 HA ARG A 93 4.528 -18.276 -4.161 1.00 0.00 H new ATOM 0 HB2 ARG A 93 4.390 -17.730 -1.174 1.00 0.00 H new ATOM 0 HB3 ARG A 93 5.139 -19.166 -1.844 1.00 0.00 H new ATOM 0 HG2 ARG A 93 6.024 -16.487 -2.881 1.00 0.00 H new ATOM 0 HG3 ARG A 93 6.552 -16.977 -1.283 1.00 0.00 H new ATOM 0 HD2 ARG A 93 8.263 -17.852 -2.586 1.00 0.00 H new ATOM 0 HD3 ARG A 93 7.200 -19.241 -2.471 1.00 0.00 H new ATOM 0 HE ARG A 93 6.524 -17.631 -4.780 1.00 0.00 H new ATOM 0 HH11 ARG A 93 8.862 -19.961 -3.526 1.00 0.00 H new ATOM 0 HH12 ARG A 93 9.285 -20.572 -5.129 1.00 0.00 H new ATOM 0 HH21 ARG A 93 7.073 -18.424 -6.835 1.00 0.00 H new ATOM 0 HH22 ARG A 93 8.277 -19.706 -6.994 1.00 0.00 H new ATOM 1389 N ALA A 94 2.747 -19.978 -4.080 1.00 0.00 N ATOM 1390 CA ALA A 94 1.725 -21.017 -4.056 1.00 0.00 C ATOM 1391 C ALA A 94 1.757 -21.788 -2.741 1.00 0.00 C ATOM 1392 O ALA A 94 2.789 -22.341 -2.358 1.00 0.00 O ATOM 1393 CB ALA A 94 1.910 -21.966 -5.231 1.00 0.00 C ATOM 0 H ALA A 94 3.359 -20.007 -4.896 1.00 0.00 H new ATOM 0 HA ALA A 94 0.751 -20.536 -4.141 1.00 0.00 H new ATOM 0 HB1 ALA A 94 1.140 -22.737 -5.201 1.00 0.00 H new ATOM 0 HB2 ALA A 94 1.829 -21.409 -6.165 1.00 0.00 H new ATOM 0 HB3 ALA A 94 2.893 -22.433 -5.171 1.00 0.00 H new ATOM 1399 N LEU A 95 0.621 -21.820 -2.052 1.00 0.00 N ATOM 1400 CA LEU A 95 0.519 -22.523 -0.778 1.00 0.00 C ATOM 1401 C LEU A 95 1.112 -23.924 -0.880 1.00 0.00 C ATOM 1402 O LEU A 95 1.000 -24.599 -1.904 1.00 0.00 O ATOM 1403 CB LEU A 95 -0.943 -22.606 -0.335 1.00 0.00 C ATOM 1404 CG LEU A 95 -1.555 -21.312 0.204 1.00 0.00 C ATOM 1405 CD1 LEU A 95 -3.053 -21.280 -0.060 1.00 0.00 C ATOM 1406 CD2 LEU A 95 -1.271 -21.167 1.692 1.00 0.00 C ATOM 0 H LEU A 95 -0.242 -21.367 -2.354 1.00 0.00 H new ATOM 0 HA LEU A 95 1.086 -21.962 -0.035 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -1.540 -22.941 -1.183 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -1.025 -23.372 0.436 1.00 0.00 H new ATOM 0 HG LEU A 95 -1.097 -20.471 -0.317 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -3.471 -20.352 0.330 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -3.235 -21.337 -1.133 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -3.528 -22.128 0.434 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -1.714 -20.241 2.058 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -1.702 -22.012 2.229 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -0.194 -21.144 1.856 1.00 0.00 H new ATOM 1418 N PRO A 96 1.756 -24.375 0.207 1.00 0.00 N ATOM 1419 CA PRO A 96 2.376 -25.702 0.265 1.00 0.00 C ATOM 1420 C PRO A 96 1.344 -26.824 0.291 1.00 0.00 C ATOM 1421 O PRO A 96 0.883 -27.232 1.357 1.00 0.00 O ATOM 1422 CB PRO A 96 3.163 -25.668 1.578 1.00 0.00 C ATOM 1423 CG PRO A 96 2.457 -24.659 2.416 1.00 0.00 C ATOM 1424 CD PRO A 96 1.928 -23.625 1.462 1.00 0.00 C ATOM 0 HA PRO A 96 2.991 -25.903 -0.612 1.00 0.00 H new ATOM 0 HB2 PRO A 96 3.172 -26.646 2.059 1.00 0.00 H new ATOM 0 HB3 PRO A 96 4.202 -25.386 1.410 1.00 0.00 H new ATOM 0 HG2 PRO A 96 1.647 -25.119 2.981 1.00 0.00 H new ATOM 0 HG3 PRO A 96 3.136 -24.210 3.141 1.00 0.00 H new ATOM 0 HD2 PRO A 96 0.985 -23.202 1.810 1.00 0.00 H new ATOM 0 HD3 PRO A 96 2.625 -22.795 1.342 1.00 0.00 H new ATOM 1432 N SER A 97 0.986 -27.320 -0.889 1.00 0.00 N ATOM 1433 CA SER A 97 0.005 -28.393 -1.002 1.00 0.00 C ATOM 1434 C SER A 97 0.695 -29.747 -1.139 1.00 0.00 C ATOM 1435 O SER A 97 1.392 -30.005 -2.120 1.00 0.00 O ATOM 1436 CB SER A 97 -0.912 -28.151 -2.202 1.00 0.00 C ATOM 1437 OG SER A 97 -0.160 -27.976 -3.391 1.00 0.00 O ATOM 0 H SER A 97 1.361 -26.996 -1.781 1.00 0.00 H new ATOM 0 HA SER A 97 -0.595 -28.401 -0.092 1.00 0.00 H new ATOM 0 HB2 SER A 97 -1.593 -28.994 -2.319 1.00 0.00 H new ATOM 0 HB3 SER A 97 -1.526 -27.268 -2.023 1.00 0.00 H new ATOM 0 HG SER A 97 0.554 -28.646 -3.428 1.00 0.00 H new ATOM 1443 N GLY A 98 0.495 -30.609 -0.147 1.00 0.00 N ATOM 1444 CA GLY A 98 1.104 -31.927 -0.175 1.00 0.00 C ATOM 1445 C GLY A 98 0.149 -33.017 0.268 1.00 0.00 C ATOM 1446 O GLY A 98 0.141 -33.431 1.427 1.00 0.00 O ATOM 0 H GLY A 98 -0.078 -30.419 0.675 1.00 0.00 H new ATOM 0 HA2 GLY A 98 1.452 -32.142 -1.186 1.00 0.00 H new ATOM 0 HA3 GLY A 98 1.981 -31.932 0.472 1.00 0.00 H new ATOM 1450 N PRO A 99 -0.682 -33.498 -0.669 1.00 0.00 N ATOM 1451 CA PRO A 99 -1.662 -34.552 -0.391 1.00 0.00 C ATOM 1452 C PRO A 99 -1.004 -35.904 -0.140 1.00 0.00 C ATOM 1453 O PRO A 99 -0.665 -36.625 -1.080 1.00 0.00 O ATOM 1454 CB PRO A 99 -2.506 -34.597 -1.668 1.00 0.00 C ATOM 1455 CG PRO A 99 -1.606 -34.074 -2.735 1.00 0.00 C ATOM 1456 CD PRO A 99 -0.727 -33.051 -2.071 1.00 0.00 C ATOM 0 HA PRO A 99 -2.238 -34.345 0.511 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -2.835 -35.612 -1.890 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -3.403 -33.985 -1.572 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -1.010 -34.876 -3.171 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -2.181 -33.627 -3.546 1.00 0.00 H new ATOM 0 HD2 PRO A 99 0.267 -33.026 -2.517 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -1.142 -32.047 -2.159 1.00 0.00 H new ATOM 1464 N SER A 100 -0.825 -36.243 1.132 1.00 0.00 N ATOM 1465 CA SER A 100 -0.204 -37.509 1.507 1.00 0.00 C ATOM 1466 C SER A 100 -1.253 -38.510 1.980 1.00 0.00 C ATOM 1467 O SER A 100 -2.221 -38.144 2.647 1.00 0.00 O ATOM 1468 CB SER A 100 0.836 -37.285 2.606 1.00 0.00 C ATOM 1469 OG SER A 100 0.236 -36.757 3.776 1.00 0.00 O ATOM 0 H SER A 100 -1.101 -35.659 1.921 1.00 0.00 H new ATOM 0 HA SER A 100 0.291 -37.918 0.626 1.00 0.00 H new ATOM 0 HB2 SER A 100 1.330 -38.228 2.841 1.00 0.00 H new ATOM 0 HB3 SER A 100 1.606 -36.602 2.248 1.00 0.00 H new ATOM 0 HG SER A 100 0.921 -36.625 4.464 1.00 0.00 H new ATOM 1475 N SER A 101 -1.054 -39.776 1.629 1.00 0.00 N ATOM 1476 CA SER A 101 -1.984 -40.831 2.013 1.00 0.00 C ATOM 1477 C SER A 101 -1.826 -41.184 3.489 1.00 0.00 C ATOM 1478 O SER A 101 -0.822 -40.848 4.115 1.00 0.00 O ATOM 1479 CB SER A 101 -1.760 -42.077 1.153 1.00 0.00 C ATOM 1480 OG SER A 101 -2.462 -41.982 -0.074 1.00 0.00 O ATOM 0 H SER A 101 -0.257 -40.096 1.079 1.00 0.00 H new ATOM 0 HA SER A 101 -2.997 -40.464 1.851 1.00 0.00 H new ATOM 0 HB2 SER A 101 -0.695 -42.201 0.958 1.00 0.00 H new ATOM 0 HB3 SER A 101 -2.090 -42.962 1.697 1.00 0.00 H new ATOM 0 HG SER A 101 -2.301 -42.789 -0.606 1.00 0.00 H new ATOM 1486 N GLY A 102 -2.828 -41.863 4.040 1.00 0.00 N ATOM 1487 CA GLY A 102 -2.782 -42.249 5.438 1.00 0.00 C ATOM 1488 C GLY A 102 -3.277 -41.152 6.359 1.00 0.00 C ATOM 1489 O GLY A 102 -4.410 -41.200 6.840 1.00 0.00 O ATOM 0 H GLY A 102 -3.670 -42.152 3.543 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -3.388 -43.143 5.585 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -1.758 -42.510 5.706 1.00 0.00 H new TER 1493 GLY A 102