USER MOD reduce.3.24.130724 H: found=0, std=0, add=729, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 727 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 37 GLN : amide:sc= 0 X(o=0,f=-0.0014) USER MOD Set 1.2: A 39 GLN : amide:sc= 0 X(o=0,f=-0.0014) USER MOD Set 2.1: A 33 CYS SG : rot 2:sc= 0.818 USER MOD Set 2.2: A 83 CYS SG : rot 175:sc= -0.58 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (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= -0.0071 USER MOD Single : A 6 SER OG : rot 28:sc= 0.3 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.0109) USER MOD Single : A 15 GLN : amide:sc= -5.78! C(o=-5.8!,f=-11!) USER MOD Single : A 18 HIS : no HD1:sc= -1.92 K(o=-1.9,f=-4!) USER MOD Single : A 22 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 28 SER OG : rot 35:sc= 1.17 USER MOD Single : A 30 THR OG1 : rot -20:sc= 0.753 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc=-0.00288 USER MOD Single : A 46 LYS NZ :NH3+ -147:sc= 1.13 (180deg=0.142) USER MOD Single : A 49 LYS NZ :NH3+ -173:sc= -0.709 (180deg=-0.731) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 22:sc= 0.935! USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 CYS SG : rot 180:sc= -1.78! USER MOD Single : A 65 THR OG1 : rot 16:sc= 0.445 USER MOD Single : A 71 GLN : amide:sc= -0.036 K(o=-0.036,f=-1.4) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 GLN : amide:sc= -0.148 X(o=-0.15,f=-0.43) USER MOD Single : A 81 TYR OH : rot -32:sc= 1.34 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 88 GLN :FLIP amide:sc= 0.209 F(o=-1.4,f=0.21) USER MOD Single : A 89 GLN : amide:sc= -3.81! C(o=-3.8!,f=-5.6!) USER MOD Single : A 91 SER OG : rot 180:sc= 0.00111 USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -1.095 38.345 1.452 1.00 0.00 N ATOM 2 CA GLY A 1 -0.665 36.979 1.682 1.00 0.00 C ATOM 3 C GLY A 1 -1.124 36.034 0.589 1.00 0.00 C ATOM 4 O GLY A 1 -0.713 36.161 -0.564 1.00 0.00 O ATOM 0 H1 GLY A 1 -0.756 38.951 2.227 1.00 0.00 H new ATOM 0 H2 GLY A 1 -0.704 38.685 0.550 1.00 0.00 H new ATOM 0 H3 GLY A 1 -2.134 38.380 1.414 1.00 0.00 H new ATOM 0 HA2 GLY A 1 0.423 36.950 1.750 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -1.053 36.636 2.641 1.00 0.00 H new ATOM 8 N SER A 2 -1.978 35.082 0.952 1.00 0.00 N ATOM 9 CA SER A 2 -2.489 34.109 -0.005 1.00 0.00 C ATOM 10 C SER A 2 -1.345 33.414 -0.737 1.00 0.00 C ATOM 11 O SER A 2 -1.405 33.205 -1.949 1.00 0.00 O ATOM 12 CB SER A 2 -3.415 34.791 -1.014 1.00 0.00 C ATOM 13 OG SER A 2 -4.724 34.933 -0.490 1.00 0.00 O ATOM 0 H SER A 2 -2.330 34.964 1.902 1.00 0.00 H new ATOM 0 HA SER A 2 -3.055 33.358 0.546 1.00 0.00 H new ATOM 0 HB2 SER A 2 -3.016 35.771 -1.274 1.00 0.00 H new ATOM 0 HB3 SER A 2 -3.449 34.207 -1.934 1.00 0.00 H new ATOM 0 HG SER A 2 -5.296 35.373 -1.153 1.00 0.00 H new ATOM 19 N SER A 3 -0.303 33.059 0.008 1.00 0.00 N ATOM 20 CA SER A 3 0.857 32.391 -0.569 1.00 0.00 C ATOM 21 C SER A 3 1.070 31.022 0.069 1.00 0.00 C ATOM 22 O SER A 3 0.754 30.815 1.240 1.00 0.00 O ATOM 23 CB SER A 3 2.110 33.251 -0.387 1.00 0.00 C ATOM 24 OG SER A 3 2.254 34.174 -1.453 1.00 0.00 O ATOM 0 H SER A 3 -0.239 33.223 1.013 1.00 0.00 H new ATOM 0 HA SER A 3 0.672 32.251 -1.634 1.00 0.00 H new ATOM 0 HB2 SER A 3 2.051 33.789 0.559 1.00 0.00 H new ATOM 0 HB3 SER A 3 2.990 32.610 -0.335 1.00 0.00 H new ATOM 0 HG SER A 3 3.061 34.713 -1.313 1.00 0.00 H new ATOM 30 N GLY A 4 1.608 30.089 -0.711 1.00 0.00 N ATOM 31 CA GLY A 4 1.853 28.751 -0.206 1.00 0.00 C ATOM 32 C GLY A 4 3.332 28.433 -0.103 1.00 0.00 C ATOM 33 O GLY A 4 3.939 27.953 -1.060 1.00 0.00 O ATOM 0 H GLY A 4 1.878 30.236 -1.683 1.00 0.00 H new ATOM 0 HA2 GLY A 4 1.393 28.647 0.776 1.00 0.00 H new ATOM 0 HA3 GLY A 4 1.373 28.025 -0.862 1.00 0.00 H new ATOM 37 N SER A 5 3.913 28.702 1.062 1.00 0.00 N ATOM 38 CA SER A 5 5.332 28.446 1.285 1.00 0.00 C ATOM 39 C SER A 5 5.681 26.998 0.957 1.00 0.00 C ATOM 40 O SER A 5 4.798 26.172 0.723 1.00 0.00 O ATOM 41 CB SER A 5 5.705 28.757 2.736 1.00 0.00 C ATOM 42 OG SER A 5 7.109 28.878 2.886 1.00 0.00 O ATOM 0 H SER A 5 3.424 29.097 1.865 1.00 0.00 H new ATOM 0 HA SER A 5 5.902 29.097 0.623 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.221 29.682 3.049 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.333 27.967 3.388 1.00 0.00 H new ATOM 0 HG SER A 5 7.322 29.078 3.821 1.00 0.00 H new ATOM 48 N SER A 6 6.975 26.696 0.942 1.00 0.00 N ATOM 49 CA SER A 6 7.443 25.349 0.639 1.00 0.00 C ATOM 50 C SER A 6 6.697 24.314 1.476 1.00 0.00 C ATOM 51 O SER A 6 6.684 24.385 2.704 1.00 0.00 O ATOM 52 CB SER A 6 8.948 25.239 0.893 1.00 0.00 C ATOM 53 OG SER A 6 9.253 25.481 2.256 1.00 0.00 O ATOM 0 H SER A 6 7.719 27.367 1.136 1.00 0.00 H new ATOM 0 HA SER A 6 7.245 25.151 -0.414 1.00 0.00 H new ATOM 0 HB2 SER A 6 9.296 24.246 0.610 1.00 0.00 H new ATOM 0 HB3 SER A 6 9.479 25.954 0.265 1.00 0.00 H new ATOM 0 HG SER A 6 8.488 25.225 2.813 1.00 0.00 H new ATOM 59 N GLY A 7 6.077 23.351 0.800 1.00 0.00 N ATOM 60 CA GLY A 7 5.337 22.315 1.496 1.00 0.00 C ATOM 61 C GLY A 7 6.230 21.188 1.976 1.00 0.00 C ATOM 62 O GLY A 7 7.044 20.664 1.216 1.00 0.00 O ATOM 0 H GLY A 7 6.074 23.270 -0.217 1.00 0.00 H new ATOM 0 HA2 GLY A 7 4.820 22.753 2.349 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.572 21.911 0.833 1.00 0.00 H new ATOM 66 N LYS A 8 6.079 20.814 3.242 1.00 0.00 N ATOM 67 CA LYS A 8 6.878 19.743 3.824 1.00 0.00 C ATOM 68 C LYS A 8 6.681 18.439 3.058 1.00 0.00 C ATOM 69 O LYS A 8 5.586 17.876 3.041 1.00 0.00 O ATOM 70 CB LYS A 8 6.506 19.543 5.296 1.00 0.00 C ATOM 71 CG LYS A 8 7.159 18.327 5.928 1.00 0.00 C ATOM 72 CD LYS A 8 8.527 18.662 6.500 1.00 0.00 C ATOM 73 CE LYS A 8 9.626 18.464 5.468 1.00 0.00 C ATOM 74 NZ LYS A 8 10.785 19.368 5.711 1.00 0.00 N ATOM 0 H LYS A 8 5.410 21.237 3.885 1.00 0.00 H new ATOM 0 HA LYS A 8 7.928 20.029 3.756 1.00 0.00 H new ATOM 0 HB2 LYS A 8 6.792 20.432 5.858 1.00 0.00 H new ATOM 0 HB3 LYS A 8 5.423 19.448 5.379 1.00 0.00 H new ATOM 0 HG2 LYS A 8 6.518 17.939 6.719 1.00 0.00 H new ATOM 0 HG3 LYS A 8 7.259 17.538 5.183 1.00 0.00 H new ATOM 0 HD2 LYS A 8 8.534 19.695 6.847 1.00 0.00 H new ATOM 0 HD3 LYS A 8 8.724 18.033 7.368 1.00 0.00 H new ATOM 0 HE2 LYS A 8 9.963 17.428 5.491 1.00 0.00 H new ATOM 0 HE3 LYS A 8 9.225 18.647 4.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 11.512 19.202 4.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 10.469 20.358 5.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 11.184 19.176 6.652 1.00 0.00 H new ATOM 88 N VAL A 9 7.748 17.962 2.425 1.00 0.00 N ATOM 89 CA VAL A 9 7.693 16.723 1.659 1.00 0.00 C ATOM 90 C VAL A 9 8.271 15.559 2.455 1.00 0.00 C ATOM 91 O VAL A 9 9.320 15.684 3.087 1.00 0.00 O ATOM 92 CB VAL A 9 8.458 16.851 0.329 1.00 0.00 C ATOM 93 CG1 VAL A 9 8.422 15.538 -0.437 1.00 0.00 C ATOM 94 CG2 VAL A 9 7.883 17.983 -0.510 1.00 0.00 C ATOM 0 H VAL A 9 8.662 18.415 2.428 1.00 0.00 H new ATOM 0 HA VAL A 9 6.642 16.528 1.447 1.00 0.00 H new ATOM 0 HB VAL A 9 9.499 17.086 0.551 1.00 0.00 H new ATOM 0 HG11 VAL A 9 8.968 15.648 -1.374 1.00 0.00 H new ATOM 0 HG12 VAL A 9 8.885 14.754 0.163 1.00 0.00 H new ATOM 0 HG13 VAL A 9 7.387 15.269 -0.649 1.00 0.00 H new ATOM 0 HG21 VAL A 9 8.436 18.059 -1.446 1.00 0.00 H new ATOM 0 HG22 VAL A 9 6.833 17.781 -0.724 1.00 0.00 H new ATOM 0 HG23 VAL A 9 7.967 18.921 0.038 1.00 0.00 H new ATOM 104 N VAL A 10 7.580 14.424 2.420 1.00 0.00 N ATOM 105 CA VAL A 10 8.025 13.235 3.137 1.00 0.00 C ATOM 106 C VAL A 10 8.507 12.159 2.171 1.00 0.00 C ATOM 107 O VAL A 10 9.447 11.420 2.466 1.00 0.00 O ATOM 108 CB VAL A 10 6.900 12.655 4.014 1.00 0.00 C ATOM 109 CG1 VAL A 10 7.391 11.430 4.772 1.00 0.00 C ATOM 110 CG2 VAL A 10 6.375 13.711 4.975 1.00 0.00 C ATOM 0 H VAL A 10 6.709 14.303 1.902 1.00 0.00 H new ATOM 0 HA VAL A 10 8.853 13.542 3.776 1.00 0.00 H new ATOM 0 HB VAL A 10 6.080 12.347 3.365 1.00 0.00 H new ATOM 0 HG11 VAL A 10 6.582 11.034 5.386 1.00 0.00 H new ATOM 0 HG12 VAL A 10 7.714 10.668 4.062 1.00 0.00 H new ATOM 0 HG13 VAL A 10 8.229 11.709 5.411 1.00 0.00 H new ATOM 0 HG21 VAL A 10 5.581 13.283 5.587 1.00 0.00 H new ATOM 0 HG22 VAL A 10 7.186 14.052 5.619 1.00 0.00 H new ATOM 0 HG23 VAL A 10 5.982 14.555 4.409 1.00 0.00 H new ATOM 120 N PHE A 11 7.858 12.076 1.014 1.00 0.00 N ATOM 121 CA PHE A 11 8.220 11.089 0.003 1.00 0.00 C ATOM 122 C PHE A 11 9.061 11.725 -1.100 1.00 0.00 C ATOM 123 O PHE A 11 9.364 12.917 -1.056 1.00 0.00 O ATOM 124 CB PHE A 11 6.962 10.459 -0.598 1.00 0.00 C ATOM 125 CG PHE A 11 6.293 9.470 0.314 1.00 0.00 C ATOM 126 CD1 PHE A 11 6.987 8.372 0.795 1.00 0.00 C ATOM 127 CD2 PHE A 11 4.970 9.639 0.688 1.00 0.00 C ATOM 128 CE1 PHE A 11 6.374 7.461 1.635 1.00 0.00 C ATOM 129 CE2 PHE A 11 4.352 8.732 1.528 1.00 0.00 C ATOM 130 CZ PHE A 11 5.054 7.640 2.001 1.00 0.00 C ATOM 0 H PHE A 11 7.079 12.680 0.753 1.00 0.00 H new ATOM 0 HA PHE A 11 8.812 10.311 0.485 1.00 0.00 H new ATOM 0 HB2 PHE A 11 6.253 11.249 -0.847 1.00 0.00 H new ATOM 0 HB3 PHE A 11 7.225 9.961 -1.531 1.00 0.00 H new ATOM 0 HD1 PHE A 11 8.019 8.226 0.511 1.00 0.00 H new ATOM 0 HD2 PHE A 11 4.415 10.489 0.319 1.00 0.00 H new ATOM 0 HE1 PHE A 11 6.927 6.610 2.005 1.00 0.00 H new ATOM 0 HE2 PHE A 11 3.321 8.877 1.815 1.00 0.00 H new ATOM 0 HZ PHE A 11 4.572 6.928 2.655 1.00 0.00 H new ATOM 140 N ALA A 12 9.434 10.920 -2.090 1.00 0.00 N ATOM 141 CA ALA A 12 10.238 11.402 -3.205 1.00 0.00 C ATOM 142 C ALA A 12 9.430 12.335 -4.101 1.00 0.00 C ATOM 143 O ALA A 12 8.255 12.596 -3.844 1.00 0.00 O ATOM 144 CB ALA A 12 10.780 10.231 -4.011 1.00 0.00 C ATOM 0 H ALA A 12 9.192 9.931 -2.142 1.00 0.00 H new ATOM 0 HA ALA A 12 11.077 11.967 -2.798 1.00 0.00 H new ATOM 0 HB1 ALA A 12 11.379 10.607 -4.841 1.00 0.00 H new ATOM 0 HB2 ALA A 12 11.400 9.604 -3.370 1.00 0.00 H new ATOM 0 HB3 ALA A 12 9.950 9.642 -4.400 1.00 0.00 H new ATOM 150 N LYS A 13 10.068 12.836 -5.154 1.00 0.00 N ATOM 151 CA LYS A 13 9.409 13.739 -6.090 1.00 0.00 C ATOM 152 C LYS A 13 9.311 13.111 -7.476 1.00 0.00 C ATOM 153 O LYS A 13 8.484 13.515 -8.293 1.00 0.00 O ATOM 154 CB LYS A 13 10.170 15.065 -6.172 1.00 0.00 C ATOM 155 CG LYS A 13 11.674 14.896 -6.299 1.00 0.00 C ATOM 156 CD LYS A 13 12.343 14.806 -4.938 1.00 0.00 C ATOM 157 CE LYS A 13 13.764 15.346 -4.978 1.00 0.00 C ATOM 158 NZ LYS A 13 13.792 16.835 -4.999 1.00 0.00 N ATOM 0 H LYS A 13 11.041 12.632 -5.380 1.00 0.00 H new ATOM 0 HA LYS A 13 8.400 13.927 -5.724 1.00 0.00 H new ATOM 0 HB2 LYS A 13 9.803 15.633 -7.027 1.00 0.00 H new ATOM 0 HB3 LYS A 13 9.953 15.655 -5.281 1.00 0.00 H new ATOM 0 HG2 LYS A 13 11.892 13.995 -6.873 1.00 0.00 H new ATOM 0 HG3 LYS A 13 12.090 15.737 -6.855 1.00 0.00 H new ATOM 0 HD2 LYS A 13 11.760 15.367 -4.207 1.00 0.00 H new ATOM 0 HD3 LYS A 13 12.356 13.768 -4.606 1.00 0.00 H new ATOM 0 HE2 LYS A 13 14.314 14.985 -4.109 1.00 0.00 H new ATOM 0 HE3 LYS A 13 14.274 14.961 -5.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 14.653 17.159 -5.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 12.956 17.191 -5.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 13.787 17.196 -4.024 1.00 0.00 H new ATOM 172 N GLU A 14 10.159 12.120 -7.733 1.00 0.00 N ATOM 173 CA GLU A 14 10.166 11.436 -9.021 1.00 0.00 C ATOM 174 C GLU A 14 9.341 10.154 -8.960 1.00 0.00 C ATOM 175 O GLU A 14 9.625 9.187 -9.666 1.00 0.00 O ATOM 176 CB GLU A 14 11.601 11.112 -9.443 1.00 0.00 C ATOM 177 CG GLU A 14 12.394 12.329 -9.889 1.00 0.00 C ATOM 178 CD GLU A 14 11.853 12.943 -11.165 1.00 0.00 C ATOM 179 OE1 GLU A 14 11.311 12.189 -12.001 1.00 0.00 O ATOM 180 OE2 GLU A 14 11.971 14.175 -11.329 1.00 0.00 O ATOM 0 H GLU A 14 10.849 11.773 -7.067 1.00 0.00 H new ATOM 0 HA GLU A 14 9.719 12.101 -9.760 1.00 0.00 H new ATOM 0 HB2 GLU A 14 12.118 10.638 -8.609 1.00 0.00 H new ATOM 0 HB3 GLU A 14 11.577 10.387 -10.256 1.00 0.00 H new ATOM 0 HG2 GLU A 14 12.381 13.077 -9.096 1.00 0.00 H new ATOM 0 HG3 GLU A 14 13.435 12.044 -10.041 1.00 0.00 H new ATOM 187 N GLN A 15 8.317 10.155 -8.112 1.00 0.00 N ATOM 188 CA GLN A 15 7.451 8.993 -7.958 1.00 0.00 C ATOM 189 C GLN A 15 5.991 9.367 -8.188 1.00 0.00 C ATOM 190 O GLN A 15 5.522 10.424 -7.764 1.00 0.00 O ATOM 191 CB GLN A 15 7.621 8.385 -6.565 1.00 0.00 C ATOM 192 CG GLN A 15 7.393 9.377 -5.436 1.00 0.00 C ATOM 193 CD GLN A 15 7.361 8.714 -4.073 1.00 0.00 C ATOM 194 OE1 GLN A 15 6.378 8.823 -3.340 1.00 0.00 O ATOM 195 NE2 GLN A 15 8.440 8.022 -3.726 1.00 0.00 N ATOM 0 H GLN A 15 8.067 10.948 -7.521 1.00 0.00 H new ATOM 0 HA GLN A 15 7.740 8.255 -8.706 1.00 0.00 H new ATOM 0 HB2 GLN A 15 6.925 7.554 -6.453 1.00 0.00 H new ATOM 0 HB3 GLN A 15 8.626 7.973 -6.478 1.00 0.00 H new ATOM 0 HG2 GLN A 15 8.183 10.128 -5.452 1.00 0.00 H new ATOM 0 HG3 GLN A 15 6.452 9.901 -5.603 1.00 0.00 H new ATOM 0 HE21 GLN A 15 9.232 7.958 -4.365 1.00 0.00 H new ATOM 0 HE22 GLN A 15 8.476 7.554 -2.820 1.00 0.00 H new ATOM 204 N PRO A 16 5.254 8.483 -8.876 1.00 0.00 N ATOM 205 CA PRO A 16 3.836 8.699 -9.178 1.00 0.00 C ATOM 206 C PRO A 16 2.958 8.611 -7.935 1.00 0.00 C ATOM 207 O PRO A 16 3.181 7.769 -7.065 1.00 0.00 O ATOM 208 CB PRO A 16 3.503 7.564 -10.149 1.00 0.00 C ATOM 209 CG PRO A 16 4.491 6.494 -9.835 1.00 0.00 C ATOM 210 CD PRO A 16 5.748 7.203 -9.412 1.00 0.00 C ATOM 0 HA PRO A 16 3.653 9.694 -9.585 1.00 0.00 H new ATOM 0 HB2 PRO A 16 2.481 7.212 -10.011 1.00 0.00 H new ATOM 0 HB3 PRO A 16 3.590 7.891 -11.185 1.00 0.00 H new ATOM 0 HG2 PRO A 16 4.123 5.844 -9.041 1.00 0.00 H new ATOM 0 HG3 PRO A 16 4.673 5.863 -10.705 1.00 0.00 H new ATOM 0 HD2 PRO A 16 6.295 6.636 -8.659 1.00 0.00 H new ATOM 0 HD3 PRO A 16 6.426 7.354 -10.252 1.00 0.00 H new ATOM 218 N ALA A 17 1.960 9.485 -7.857 1.00 0.00 N ATOM 219 CA ALA A 17 1.047 9.503 -6.721 1.00 0.00 C ATOM 220 C ALA A 17 0.543 8.101 -6.399 1.00 0.00 C ATOM 221 O ALA A 17 0.613 7.652 -5.254 1.00 0.00 O ATOM 222 CB ALA A 17 -0.122 10.436 -6.998 1.00 0.00 C ATOM 0 H ALA A 17 1.763 10.190 -8.567 1.00 0.00 H new ATOM 0 HA ALA A 17 1.594 9.872 -5.853 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -0.796 10.439 -6.141 1.00 0.00 H new ATOM 0 HB2 ALA A 17 0.251 11.446 -7.170 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -0.660 10.092 -7.881 1.00 0.00 H new ATOM 228 N HIS A 18 0.033 7.412 -7.416 1.00 0.00 N ATOM 229 CA HIS A 18 -0.483 6.059 -7.240 1.00 0.00 C ATOM 230 C HIS A 18 0.083 5.120 -8.300 1.00 0.00 C ATOM 231 O HIS A 18 0.000 5.397 -9.497 1.00 0.00 O ATOM 232 CB HIS A 18 -2.011 6.062 -7.308 1.00 0.00 C ATOM 233 CG HIS A 18 -2.589 4.782 -7.828 1.00 0.00 C ATOM 234 ND1 HIS A 18 -2.141 3.539 -7.434 1.00 0.00 N ATOM 235 CD2 HIS A 18 -3.587 4.557 -8.715 1.00 0.00 C ATOM 236 CE1 HIS A 18 -2.837 2.604 -8.057 1.00 0.00 C ATOM 237 NE2 HIS A 18 -3.721 3.196 -8.840 1.00 0.00 N ATOM 0 H HIS A 18 -0.034 7.768 -8.369 1.00 0.00 H new ATOM 0 HA HIS A 18 -0.170 5.701 -6.259 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -2.411 6.254 -6.312 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -2.337 6.884 -7.946 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -4.169 5.308 -9.228 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -2.705 1.538 -7.945 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -4.394 2.719 -9.440 1.00 0.00 H new ATOM 246 N ARG A 19 0.659 4.009 -7.852 1.00 0.00 N ATOM 247 CA ARG A 19 1.241 3.030 -8.762 1.00 0.00 C ATOM 248 C ARG A 19 0.437 1.733 -8.752 1.00 0.00 C ATOM 249 O ARG A 19 -0.010 1.278 -7.700 1.00 0.00 O ATOM 250 CB ARG A 19 2.694 2.745 -8.378 1.00 0.00 C ATOM 251 CG ARG A 19 3.508 2.116 -9.497 1.00 0.00 C ATOM 252 CD ARG A 19 4.909 1.752 -9.030 1.00 0.00 C ATOM 253 NE ARG A 19 5.747 1.281 -10.129 1.00 0.00 N ATOM 254 CZ ARG A 19 5.727 0.033 -10.585 1.00 0.00 C ATOM 255 NH1 ARG A 19 4.915 -0.863 -10.041 1.00 0.00 N ATOM 256 NH2 ARG A 19 6.519 -0.320 -11.589 1.00 0.00 N ATOM 0 H ARG A 19 0.735 3.765 -6.865 1.00 0.00 H new ATOM 0 HA ARG A 19 1.214 3.446 -9.769 1.00 0.00 H new ATOM 0 HB2 ARG A 19 3.170 3.677 -8.074 1.00 0.00 H new ATOM 0 HB3 ARG A 19 2.709 2.082 -7.513 1.00 0.00 H new ATOM 0 HG2 ARG A 19 3.000 1.222 -9.859 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.571 2.809 -10.336 1.00 0.00 H new ATOM 0 HD2 ARG A 19 5.374 2.622 -8.567 1.00 0.00 H new ATOM 0 HD3 ARG A 19 4.846 0.978 -8.265 1.00 0.00 H new ATOM 0 HE ARG A 19 6.382 1.946 -10.571 1.00 0.00 H new ATOM 0 HH11 ARG A 19 4.303 -0.595 -9.270 1.00 0.00 H new ATOM 0 HH12 ARG A 19 4.902 -1.820 -10.393 1.00 0.00 H new ATOM 0 HH21 ARG A 19 7.144 0.367 -12.011 1.00 0.00 H new ATOM 0 HH22 ARG A 19 6.503 -1.278 -11.939 1.00 0.00 H new ATOM 270 N GLU A 20 0.258 1.144 -9.930 1.00 0.00 N ATOM 271 CA GLU A 20 -0.493 -0.100 -10.055 1.00 0.00 C ATOM 272 C GLU A 20 0.446 -1.303 -10.077 1.00 0.00 C ATOM 273 O GLU A 20 1.437 -1.318 -10.807 1.00 0.00 O ATOM 274 CB GLU A 20 -1.345 -0.081 -11.326 1.00 0.00 C ATOM 275 CG GLU A 20 -2.119 1.212 -11.521 1.00 0.00 C ATOM 276 CD GLU A 20 -1.233 2.363 -11.955 1.00 0.00 C ATOM 277 OE1 GLU A 20 -0.109 2.098 -12.433 1.00 0.00 O ATOM 278 OE2 GLU A 20 -1.662 3.527 -11.818 1.00 0.00 O ATOM 0 H GLU A 20 0.622 1.508 -10.811 1.00 0.00 H new ATOM 0 HA GLU A 20 -1.148 -0.188 -9.188 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.699 -0.241 -12.189 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -2.047 -0.914 -11.295 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -2.897 1.056 -12.268 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -2.620 1.475 -10.589 1.00 0.00 H new ATOM 285 N VAL A 21 0.127 -2.310 -9.270 1.00 0.00 N ATOM 286 CA VAL A 21 0.941 -3.517 -9.196 1.00 0.00 C ATOM 287 C VAL A 21 0.106 -4.760 -9.482 1.00 0.00 C ATOM 288 O VAL A 21 -1.044 -4.859 -9.055 1.00 0.00 O ATOM 289 CB VAL A 21 1.603 -3.664 -7.813 1.00 0.00 C ATOM 290 CG1 VAL A 21 2.441 -4.932 -7.754 1.00 0.00 C ATOM 291 CG2 VAL A 21 2.449 -2.440 -7.495 1.00 0.00 C ATOM 0 H VAL A 21 -0.689 -2.314 -8.658 1.00 0.00 H new ATOM 0 HA VAL A 21 1.718 -3.422 -9.954 1.00 0.00 H new ATOM 0 HB VAL A 21 0.819 -3.741 -7.060 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.901 -5.019 -6.770 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.804 -5.798 -7.935 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.220 -4.889 -8.516 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.909 -2.561 -6.514 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.227 -2.329 -8.250 1.00 0.00 H new ATOM 0 HG23 VAL A 21 1.817 -1.552 -7.492 1.00 0.00 H new ATOM 301 N GLN A 22 0.693 -5.707 -10.207 1.00 0.00 N ATOM 302 CA GLN A 22 0.003 -6.945 -10.550 1.00 0.00 C ATOM 303 C GLN A 22 0.758 -8.156 -10.013 1.00 0.00 C ATOM 304 O GLN A 22 1.965 -8.094 -9.779 1.00 0.00 O ATOM 305 CB GLN A 22 -0.157 -7.060 -12.067 1.00 0.00 C ATOM 306 CG GLN A 22 -1.098 -8.174 -12.496 1.00 0.00 C ATOM 307 CD GLN A 22 -0.978 -8.503 -13.971 1.00 0.00 C ATOM 308 OE1 GLN A 22 -0.509 -7.687 -14.765 1.00 0.00 O ATOM 309 NE2 GLN A 22 -1.403 -9.704 -14.346 1.00 0.00 N ATOM 0 H GLN A 22 1.645 -5.641 -10.568 1.00 0.00 H new ATOM 0 HA GLN A 22 -0.984 -6.922 -10.088 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -0.527 -6.112 -12.458 1.00 0.00 H new ATOM 0 HB3 GLN A 22 0.822 -7.229 -12.516 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -0.887 -9.068 -11.910 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -2.125 -7.883 -12.275 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -1.785 -10.349 -13.654 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -1.348 -9.982 -15.326 1.00 0.00 H new ATOM 318 N ALA A 23 0.039 -9.257 -9.819 1.00 0.00 N ATOM 319 CA ALA A 23 0.642 -10.483 -9.311 1.00 0.00 C ATOM 320 C ALA A 23 -0.268 -11.683 -9.552 1.00 0.00 C ATOM 321 O ALA A 23 -1.437 -11.525 -9.902 1.00 0.00 O ATOM 322 CB ALA A 23 0.952 -10.344 -7.828 1.00 0.00 C ATOM 0 H ALA A 23 -0.961 -9.325 -10.006 1.00 0.00 H new ATOM 0 HA ALA A 23 1.573 -10.651 -9.852 1.00 0.00 H new ATOM 0 HB1 ALA A 23 1.402 -11.267 -7.462 1.00 0.00 H new ATOM 0 HB2 ALA A 23 1.646 -9.517 -7.677 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.030 -10.148 -7.280 1.00 0.00 H new ATOM 328 N GLU A 24 0.277 -12.881 -9.364 1.00 0.00 N ATOM 329 CA GLU A 24 -0.487 -14.107 -9.563 1.00 0.00 C ATOM 330 C GLU A 24 -0.981 -14.663 -8.230 1.00 0.00 C ATOM 331 O GLU A 24 -0.560 -14.215 -7.165 1.00 0.00 O ATOM 332 CB GLU A 24 0.366 -15.154 -10.281 1.00 0.00 C ATOM 333 CG GLU A 24 0.682 -14.798 -11.724 1.00 0.00 C ATOM 334 CD GLU A 24 0.982 -16.017 -12.574 1.00 0.00 C ATOM 335 OE1 GLU A 24 1.659 -16.938 -12.070 1.00 0.00 O ATOM 336 OE2 GLU A 24 0.542 -16.050 -13.742 1.00 0.00 O ATOM 0 H GLU A 24 1.244 -13.028 -9.074 1.00 0.00 H new ATOM 0 HA GLU A 24 -1.353 -13.869 -10.180 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.300 -15.285 -9.735 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -0.154 -16.112 -10.258 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -0.162 -14.259 -12.154 1.00 0.00 H new ATOM 0 HG3 GLU A 24 1.538 -14.123 -11.749 1.00 0.00 H new ATOM 343 N ALA A 25 -1.877 -15.642 -8.300 1.00 0.00 N ATOM 344 CA ALA A 25 -2.428 -16.260 -7.101 1.00 0.00 C ATOM 345 C ALA A 25 -1.427 -17.223 -6.471 1.00 0.00 C ATOM 346 O ALA A 25 -0.991 -18.184 -7.104 1.00 0.00 O ATOM 347 CB ALA A 25 -3.725 -16.985 -7.428 1.00 0.00 C ATOM 0 H ALA A 25 -2.237 -16.024 -9.175 1.00 0.00 H new ATOM 0 HA ALA A 25 -2.638 -15.470 -6.380 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -4.125 -17.442 -6.523 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -4.449 -16.274 -7.826 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -3.532 -17.760 -8.170 1.00 0.00 H new ATOM 353 N GLY A 26 -1.065 -16.958 -5.219 1.00 0.00 N ATOM 354 CA GLY A 26 -0.116 -17.809 -4.525 1.00 0.00 C ATOM 355 C GLY A 26 1.306 -17.294 -4.622 1.00 0.00 C ATOM 356 O GLY A 26 2.218 -17.849 -4.010 1.00 0.00 O ATOM 0 H GLY A 26 -1.412 -16.169 -4.673 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -0.401 -17.884 -3.476 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -0.164 -18.815 -4.941 1.00 0.00 H new ATOM 360 N ALA A 27 1.496 -16.230 -5.395 1.00 0.00 N ATOM 361 CA ALA A 27 2.817 -15.639 -5.571 1.00 0.00 C ATOM 362 C ALA A 27 3.149 -14.687 -4.426 1.00 0.00 C ATOM 363 O ALA A 27 2.377 -14.548 -3.478 1.00 0.00 O ATOM 364 CB ALA A 27 2.897 -14.912 -6.905 1.00 0.00 C ATOM 0 H ALA A 27 0.752 -15.759 -5.910 1.00 0.00 H new ATOM 0 HA ALA A 27 3.552 -16.444 -5.565 1.00 0.00 H new ATOM 0 HB1 ALA A 27 3.889 -14.476 -7.023 1.00 0.00 H new ATOM 0 HB2 ALA A 27 2.712 -15.617 -7.715 1.00 0.00 H new ATOM 0 HB3 ALA A 27 2.147 -14.121 -6.934 1.00 0.00 H new ATOM 370 N SER A 28 4.302 -14.033 -4.522 1.00 0.00 N ATOM 371 CA SER A 28 4.738 -13.098 -3.492 1.00 0.00 C ATOM 372 C SER A 28 4.844 -11.683 -4.054 1.00 0.00 C ATOM 373 O SER A 28 5.863 -11.307 -4.631 1.00 0.00 O ATOM 374 CB SER A 28 6.087 -13.532 -2.917 1.00 0.00 C ATOM 375 OG SER A 28 7.108 -13.459 -3.898 1.00 0.00 O ATOM 0 H SER A 28 4.951 -14.133 -5.303 1.00 0.00 H new ATOM 0 HA SER A 28 3.994 -13.100 -2.695 1.00 0.00 H new ATOM 0 HB2 SER A 28 6.346 -12.896 -2.070 1.00 0.00 H new ATOM 0 HB3 SER A 28 6.014 -14.552 -2.539 1.00 0.00 H new ATOM 0 HG SER A 28 6.942 -12.694 -4.487 1.00 0.00 H new ATOM 381 N ALA A 29 3.782 -10.903 -3.879 1.00 0.00 N ATOM 382 CA ALA A 29 3.754 -9.529 -4.366 1.00 0.00 C ATOM 383 C ALA A 29 4.773 -8.666 -3.629 1.00 0.00 C ATOM 384 O ALA A 29 5.382 -9.102 -2.652 1.00 0.00 O ATOM 385 CB ALA A 29 2.358 -8.945 -4.218 1.00 0.00 C ATOM 0 H ALA A 29 2.930 -11.199 -3.404 1.00 0.00 H new ATOM 0 HA ALA A 29 4.021 -9.538 -5.423 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.352 -7.919 -4.586 1.00 0.00 H new ATOM 0 HB2 ALA A 29 1.651 -9.541 -4.795 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.069 -8.956 -3.167 1.00 0.00 H new ATOM 391 N THR A 30 4.953 -7.437 -4.103 1.00 0.00 N ATOM 392 CA THR A 30 5.899 -6.512 -3.491 1.00 0.00 C ATOM 393 C THR A 30 5.579 -5.070 -3.866 1.00 0.00 C ATOM 394 O THR A 30 5.572 -4.711 -5.045 1.00 0.00 O ATOM 395 CB THR A 30 7.347 -6.831 -3.909 1.00 0.00 C ATOM 396 OG1 THR A 30 7.657 -8.194 -3.600 1.00 0.00 O ATOM 397 CG2 THR A 30 8.329 -5.909 -3.202 1.00 0.00 C ATOM 0 H THR A 30 4.456 -7.059 -4.909 1.00 0.00 H new ATOM 0 HA THR A 30 5.806 -6.632 -2.412 1.00 0.00 H new ATOM 0 HB THR A 30 7.435 -6.674 -4.984 1.00 0.00 H new ATOM 0 HG1 THR A 30 7.032 -8.526 -2.922 1.00 0.00 H new ATOM 0 HG21 THR A 30 9.345 -6.153 -3.513 1.00 0.00 H new ATOM 0 HG22 THR A 30 8.108 -4.874 -3.463 1.00 0.00 H new ATOM 0 HG23 THR A 30 8.238 -6.039 -2.124 1.00 0.00 H new ATOM 405 N LEU A 31 5.316 -4.246 -2.858 1.00 0.00 N ATOM 406 CA LEU A 31 4.996 -2.840 -3.083 1.00 0.00 C ATOM 407 C LEU A 31 6.097 -1.937 -2.535 1.00 0.00 C ATOM 408 O LEU A 31 6.148 -1.662 -1.336 1.00 0.00 O ATOM 409 CB LEU A 31 3.660 -2.490 -2.427 1.00 0.00 C ATOM 410 CG LEU A 31 2.564 -3.551 -2.529 1.00 0.00 C ATOM 411 CD1 LEU A 31 1.364 -3.163 -1.678 1.00 0.00 C ATOM 412 CD2 LEU A 31 2.149 -3.753 -3.979 1.00 0.00 C ATOM 0 H LEU A 31 5.318 -4.526 -1.877 1.00 0.00 H new ATOM 0 HA LEU A 31 4.919 -2.677 -4.158 1.00 0.00 H new ATOM 0 HB2 LEU A 31 3.839 -2.282 -1.372 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.288 -1.568 -2.875 1.00 0.00 H new ATOM 0 HG LEU A 31 2.962 -4.493 -2.152 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.594 -3.930 -1.763 1.00 0.00 H new ATOM 0 HD12 LEU A 31 1.671 -3.071 -0.636 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.966 -2.209 -2.024 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.368 -4.512 -4.032 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.771 -2.814 -4.383 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.011 -4.078 -4.562 1.00 0.00 H new ATOM 424 N SER A 32 6.974 -1.477 -3.421 1.00 0.00 N ATOM 425 CA SER A 32 8.074 -0.605 -3.026 1.00 0.00 C ATOM 426 C SER A 32 7.699 0.862 -3.211 1.00 0.00 C ATOM 427 O SER A 32 6.924 1.208 -4.103 1.00 0.00 O ATOM 428 CB SER A 32 9.328 -0.930 -3.841 1.00 0.00 C ATOM 429 OG SER A 32 10.355 0.015 -3.595 1.00 0.00 O ATOM 0 H SER A 32 6.944 -1.694 -4.417 1.00 0.00 H new ATOM 0 HA SER A 32 8.281 -0.778 -1.970 1.00 0.00 H new ATOM 0 HB2 SER A 32 9.681 -1.930 -3.588 1.00 0.00 H new ATOM 0 HB3 SER A 32 9.083 -0.938 -4.903 1.00 0.00 H new ATOM 0 HG SER A 32 11.146 -0.216 -4.126 1.00 0.00 H new ATOM 435 N CYS A 33 8.255 1.719 -2.362 1.00 0.00 N ATOM 436 CA CYS A 33 7.979 3.150 -2.430 1.00 0.00 C ATOM 437 C CYS A 33 9.125 3.954 -1.827 1.00 0.00 C ATOM 438 O CYS A 33 9.443 3.811 -0.648 1.00 0.00 O ATOM 439 CB CYS A 33 6.674 3.474 -1.701 1.00 0.00 C ATOM 440 SG CYS A 33 6.311 2.374 -0.313 1.00 0.00 S ATOM 0 H CYS A 33 8.899 1.448 -1.619 1.00 0.00 H new ATOM 0 HA CYS A 33 7.879 3.426 -3.480 1.00 0.00 H new ATOM 0 HB2 CYS A 33 6.720 4.500 -1.335 1.00 0.00 H new ATOM 0 HB3 CYS A 33 5.851 3.426 -2.414 1.00 0.00 H new ATOM 0 HG CYS A 33 7.284 1.524 -0.167 1.00 0.00 H new ATOM 446 N GLU A 34 9.743 4.800 -2.647 1.00 0.00 N ATOM 447 CA GLU A 34 10.857 5.625 -2.194 1.00 0.00 C ATOM 448 C GLU A 34 10.400 6.620 -1.132 1.00 0.00 C ATOM 449 O GLU A 34 9.210 6.914 -1.011 1.00 0.00 O ATOM 450 CB GLU A 34 11.480 6.372 -3.374 1.00 0.00 C ATOM 451 CG GLU A 34 12.077 5.455 -4.429 1.00 0.00 C ATOM 452 CD GLU A 34 12.585 6.212 -5.640 1.00 0.00 C ATOM 453 OE1 GLU A 34 11.810 7.005 -6.214 1.00 0.00 O ATOM 454 OE2 GLU A 34 13.760 6.011 -6.015 1.00 0.00 O ATOM 0 H GLU A 34 9.491 4.931 -3.627 1.00 0.00 H new ATOM 0 HA GLU A 34 11.607 4.968 -1.753 1.00 0.00 H new ATOM 0 HB2 GLU A 34 10.719 6.999 -3.839 1.00 0.00 H new ATOM 0 HB3 GLU A 34 12.258 7.038 -3.001 1.00 0.00 H new ATOM 0 HG2 GLU A 34 12.897 4.888 -3.990 1.00 0.00 H new ATOM 0 HG3 GLU A 34 11.324 4.733 -4.746 1.00 0.00 H new ATOM 461 N VAL A 35 11.354 7.137 -0.363 1.00 0.00 N ATOM 462 CA VAL A 35 11.050 8.100 0.689 1.00 0.00 C ATOM 463 C VAL A 35 12.059 9.243 0.695 1.00 0.00 C ATOM 464 O VAL A 35 13.208 9.072 0.290 1.00 0.00 O ATOM 465 CB VAL A 35 11.040 7.431 2.076 1.00 0.00 C ATOM 466 CG1 VAL A 35 9.693 6.777 2.344 1.00 0.00 C ATOM 467 CG2 VAL A 35 12.167 6.415 2.186 1.00 0.00 C ATOM 0 H VAL A 35 12.343 6.905 -0.449 1.00 0.00 H new ATOM 0 HA VAL A 35 10.057 8.497 0.478 1.00 0.00 H new ATOM 0 HB VAL A 35 11.200 8.200 2.832 1.00 0.00 H new ATOM 0 HG11 VAL A 35 9.705 6.310 3.329 1.00 0.00 H new ATOM 0 HG12 VAL A 35 8.908 7.533 2.311 1.00 0.00 H new ATOM 0 HG13 VAL A 35 9.499 6.019 1.585 1.00 0.00 H new ATOM 0 HG21 VAL A 35 12.145 5.952 3.173 1.00 0.00 H new ATOM 0 HG22 VAL A 35 12.041 5.648 1.422 1.00 0.00 H new ATOM 0 HG23 VAL A 35 13.124 6.916 2.042 1.00 0.00 H new ATOM 477 N ALA A 36 11.621 10.409 1.158 1.00 0.00 N ATOM 478 CA ALA A 36 12.486 11.580 1.220 1.00 0.00 C ATOM 479 C ALA A 36 13.465 11.479 2.384 1.00 0.00 C ATOM 480 O ALA A 36 14.453 12.211 2.442 1.00 0.00 O ATOM 481 CB ALA A 36 11.652 12.847 1.338 1.00 0.00 C ATOM 0 H ALA A 36 10.672 10.568 1.496 1.00 0.00 H new ATOM 0 HA ALA A 36 13.064 11.623 0.297 1.00 0.00 H new ATOM 0 HB1 ALA A 36 12.311 13.714 1.383 1.00 0.00 H new ATOM 0 HB2 ALA A 36 10.998 12.934 0.471 1.00 0.00 H new ATOM 0 HB3 ALA A 36 11.049 12.802 2.245 1.00 0.00 H new ATOM 487 N GLN A 37 13.184 10.568 3.310 1.00 0.00 N ATOM 488 CA GLN A 37 14.040 10.372 4.474 1.00 0.00 C ATOM 489 C GLN A 37 13.946 8.938 4.985 1.00 0.00 C ATOM 490 O GLN A 37 12.855 8.436 5.255 1.00 0.00 O ATOM 491 CB GLN A 37 13.655 11.349 5.587 1.00 0.00 C ATOM 492 CG GLN A 37 13.969 12.800 5.258 1.00 0.00 C ATOM 493 CD GLN A 37 13.696 13.734 6.421 1.00 0.00 C ATOM 494 OE1 GLN A 37 14.401 13.710 7.430 1.00 0.00 O ATOM 495 NE2 GLN A 37 12.668 14.563 6.285 1.00 0.00 N ATOM 0 H GLN A 37 12.370 9.954 3.277 1.00 0.00 H new ATOM 0 HA GLN A 37 15.070 10.563 4.172 1.00 0.00 H new ATOM 0 HB2 GLN A 37 12.588 11.254 5.790 1.00 0.00 H new ATOM 0 HB3 GLN A 37 14.179 11.071 6.501 1.00 0.00 H new ATOM 0 HG2 GLN A 37 15.016 12.884 4.967 1.00 0.00 H new ATOM 0 HG3 GLN A 37 13.374 13.111 4.400 1.00 0.00 H new ATOM 0 HE21 GLN A 37 12.111 14.548 5.431 1.00 0.00 H new ATOM 0 HE22 GLN A 37 12.436 15.214 7.035 1.00 0.00 H new ATOM 504 N ALA A 38 15.096 8.285 5.115 1.00 0.00 N ATOM 505 CA ALA A 38 15.143 6.909 5.595 1.00 0.00 C ATOM 506 C ALA A 38 14.783 6.832 7.075 1.00 0.00 C ATOM 507 O ALA A 38 14.190 5.854 7.528 1.00 0.00 O ATOM 508 CB ALA A 38 16.521 6.312 5.353 1.00 0.00 C ATOM 0 H ALA A 38 16.007 8.686 4.895 1.00 0.00 H new ATOM 0 HA ALA A 38 14.406 6.330 5.038 1.00 0.00 H new ATOM 0 HB1 ALA A 38 16.541 5.285 5.716 1.00 0.00 H new ATOM 0 HB2 ALA A 38 16.740 6.324 4.285 1.00 0.00 H new ATOM 0 HB3 ALA A 38 17.270 6.899 5.884 1.00 0.00 H new ATOM 514 N GLN A 39 15.148 7.868 7.823 1.00 0.00 N ATOM 515 CA GLN A 39 14.865 7.916 9.252 1.00 0.00 C ATOM 516 C GLN A 39 13.363 7.974 9.508 1.00 0.00 C ATOM 517 O GLN A 39 12.901 7.732 10.624 1.00 0.00 O ATOM 518 CB GLN A 39 15.550 9.125 9.890 1.00 0.00 C ATOM 519 CG GLN A 39 15.206 10.444 9.217 1.00 0.00 C ATOM 520 CD GLN A 39 15.716 11.644 9.990 1.00 0.00 C ATOM 521 OE1 GLN A 39 15.374 11.838 11.157 1.00 0.00 O ATOM 522 NE2 GLN A 39 16.541 12.459 9.342 1.00 0.00 N ATOM 0 H GLN A 39 15.640 8.685 7.463 1.00 0.00 H new ATOM 0 HA GLN A 39 15.257 7.005 9.704 1.00 0.00 H new ATOM 0 HB2 GLN A 39 15.268 9.179 10.942 1.00 0.00 H new ATOM 0 HB3 GLN A 39 16.630 8.980 9.856 1.00 0.00 H new ATOM 0 HG2 GLN A 39 15.630 10.457 8.213 1.00 0.00 H new ATOM 0 HG3 GLN A 39 14.124 10.520 9.107 1.00 0.00 H new ATOM 0 HE21 GLN A 39 16.799 12.261 8.375 1.00 0.00 H new ATOM 0 HE22 GLN A 39 16.917 13.283 9.811 1.00 0.00 H new ATOM 531 N THR A 40 12.602 8.298 8.467 1.00 0.00 N ATOM 532 CA THR A 40 11.152 8.390 8.578 1.00 0.00 C ATOM 533 C THR A 40 10.505 7.013 8.490 1.00 0.00 C ATOM 534 O THR A 40 10.904 6.181 7.676 1.00 0.00 O ATOM 535 CB THR A 40 10.560 9.294 7.481 1.00 0.00 C ATOM 536 OG1 THR A 40 10.786 10.670 7.805 1.00 0.00 O ATOM 537 CG2 THR A 40 9.068 9.044 7.319 1.00 0.00 C ATOM 0 H THR A 40 12.967 8.501 7.536 1.00 0.00 H new ATOM 0 HA THR A 40 10.938 8.827 9.553 1.00 0.00 H new ATOM 0 HB THR A 40 11.056 9.057 6.540 1.00 0.00 H new ATOM 0 HG1 THR A 40 10.408 11.238 7.102 1.00 0.00 H new ATOM 0 HG21 THR A 40 8.673 9.694 6.539 1.00 0.00 H new ATOM 0 HG22 THR A 40 8.901 8.003 7.043 1.00 0.00 H new ATOM 0 HG23 THR A 40 8.559 9.256 8.260 1.00 0.00 H new ATOM 545 N GLU A 41 9.504 6.779 9.333 1.00 0.00 N ATOM 546 CA GLU A 41 8.802 5.501 9.349 1.00 0.00 C ATOM 547 C GLU A 41 7.506 5.582 8.548 1.00 0.00 C ATOM 548 O GLU A 41 6.915 6.653 8.409 1.00 0.00 O ATOM 549 CB GLU A 41 8.500 5.077 10.788 1.00 0.00 C ATOM 550 CG GLU A 41 7.389 5.884 11.439 1.00 0.00 C ATOM 551 CD GLU A 41 7.041 5.382 12.827 1.00 0.00 C ATOM 552 OE1 GLU A 41 6.325 4.363 12.926 1.00 0.00 O ATOM 553 OE2 GLU A 41 7.482 6.007 13.813 1.00 0.00 O ATOM 0 H GLU A 41 9.161 7.457 10.013 1.00 0.00 H new ATOM 0 HA GLU A 41 9.448 4.755 8.887 1.00 0.00 H new ATOM 0 HB2 GLU A 41 8.225 4.022 10.797 1.00 0.00 H new ATOM 0 HB3 GLU A 41 9.407 5.175 11.385 1.00 0.00 H new ATOM 0 HG2 GLU A 41 7.692 6.929 11.500 1.00 0.00 H new ATOM 0 HG3 GLU A 41 6.500 5.846 10.809 1.00 0.00 H new ATOM 560 N VAL A 42 7.069 4.442 8.023 1.00 0.00 N ATOM 561 CA VAL A 42 5.842 4.382 7.237 1.00 0.00 C ATOM 562 C VAL A 42 4.918 3.280 7.742 1.00 0.00 C ATOM 563 O VAL A 42 5.360 2.333 8.393 1.00 0.00 O ATOM 564 CB VAL A 42 6.143 4.141 5.745 1.00 0.00 C ATOM 565 CG1 VAL A 42 7.297 5.019 5.284 1.00 0.00 C ATOM 566 CG2 VAL A 42 6.447 2.672 5.494 1.00 0.00 C ATOM 0 H VAL A 42 7.547 3.547 8.128 1.00 0.00 H new ATOM 0 HA VAL A 42 5.347 5.346 7.350 1.00 0.00 H new ATOM 0 HB VAL A 42 5.260 4.410 5.166 1.00 0.00 H new ATOM 0 HG11 VAL A 42 7.495 4.835 4.228 1.00 0.00 H new ATOM 0 HG12 VAL A 42 7.036 6.068 5.427 1.00 0.00 H new ATOM 0 HG13 VAL A 42 8.188 4.784 5.866 1.00 0.00 H new ATOM 0 HG21 VAL A 42 6.657 2.520 4.435 1.00 0.00 H new ATOM 0 HG22 VAL A 42 7.315 2.374 6.083 1.00 0.00 H new ATOM 0 HG23 VAL A 42 5.587 2.068 5.784 1.00 0.00 H new ATOM 576 N THR A 43 3.630 3.410 7.438 1.00 0.00 N ATOM 577 CA THR A 43 2.643 2.426 7.862 1.00 0.00 C ATOM 578 C THR A 43 1.643 2.136 6.748 1.00 0.00 C ATOM 579 O THR A 43 0.829 2.989 6.395 1.00 0.00 O ATOM 580 CB THR A 43 1.878 2.899 9.112 1.00 0.00 C ATOM 581 OG1 THR A 43 2.773 3.000 10.225 1.00 0.00 O ATOM 582 CG2 THR A 43 0.746 1.941 9.450 1.00 0.00 C ATOM 0 H THR A 43 3.247 4.187 6.900 1.00 0.00 H new ATOM 0 HA THR A 43 3.190 1.514 8.103 1.00 0.00 H new ATOM 0 HB THR A 43 1.451 3.879 8.900 1.00 0.00 H new ATOM 0 HG1 THR A 43 2.279 3.303 11.015 1.00 0.00 H new ATOM 0 HG21 THR A 43 0.221 2.297 10.336 1.00 0.00 H new ATOM 0 HG22 THR A 43 0.050 1.890 8.612 1.00 0.00 H new ATOM 0 HG23 THR A 43 1.154 0.949 9.644 1.00 0.00 H new ATOM 590 N TRP A 44 1.709 0.928 6.200 1.00 0.00 N ATOM 591 CA TRP A 44 0.808 0.526 5.126 1.00 0.00 C ATOM 592 C TRP A 44 -0.628 0.425 5.629 1.00 0.00 C ATOM 593 O TRP A 44 -0.865 0.211 6.818 1.00 0.00 O ATOM 594 CB TRP A 44 1.250 -0.815 4.537 1.00 0.00 C ATOM 595 CG TRP A 44 2.599 -0.762 3.887 1.00 0.00 C ATOM 596 CD1 TRP A 44 3.809 -0.955 4.492 1.00 0.00 C ATOM 597 CD2 TRP A 44 2.876 -0.497 2.507 1.00 0.00 C ATOM 598 NE1 TRP A 44 4.821 -0.826 3.571 1.00 0.00 N ATOM 599 CE2 TRP A 44 4.275 -0.545 2.346 1.00 0.00 C ATOM 600 CE3 TRP A 44 2.079 -0.225 1.392 1.00 0.00 C ATOM 601 CZ2 TRP A 44 4.890 -0.331 1.116 1.00 0.00 C ATOM 602 CZ3 TRP A 44 2.691 -0.012 0.172 1.00 0.00 C ATOM 603 CH2 TRP A 44 4.085 -0.066 0.041 1.00 0.00 C ATOM 0 H TRP A 44 2.377 0.210 6.481 1.00 0.00 H new ATOM 0 HA TRP A 44 0.848 1.288 4.348 1.00 0.00 H new ATOM 0 HB2 TRP A 44 1.265 -1.564 5.329 1.00 0.00 H new ATOM 0 HB3 TRP A 44 0.513 -1.142 3.803 1.00 0.00 H new ATOM 0 HD1 TRP A 44 3.949 -1.176 5.540 1.00 0.00 H new ATOM 0 HE1 TRP A 44 5.817 -0.924 3.768 1.00 0.00 H new ATOM 0 HE3 TRP A 44 1.004 -0.182 1.482 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 5.964 -0.373 1.013 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 2.084 0.200 -0.696 1.00 0.00 H new ATOM 0 HH2 TRP A 44 4.533 0.105 -0.927 1.00 0.00 H new ATOM 614 N TYR A 45 -1.582 0.581 4.718 1.00 0.00 N ATOM 615 CA TYR A 45 -2.995 0.510 5.071 1.00 0.00 C ATOM 616 C TYR A 45 -3.806 -0.123 3.944 1.00 0.00 C ATOM 617 O TYR A 45 -3.796 0.356 2.810 1.00 0.00 O ATOM 618 CB TYR A 45 -3.535 1.907 5.381 1.00 0.00 C ATOM 619 CG TYR A 45 -3.035 2.473 6.691 1.00 0.00 C ATOM 620 CD1 TYR A 45 -3.625 2.112 7.896 1.00 0.00 C ATOM 621 CD2 TYR A 45 -1.973 3.368 6.723 1.00 0.00 C ATOM 622 CE1 TYR A 45 -3.171 2.627 9.095 1.00 0.00 C ATOM 623 CE2 TYR A 45 -1.512 3.887 7.918 1.00 0.00 C ATOM 624 CZ TYR A 45 -2.115 3.513 9.101 1.00 0.00 C ATOM 625 OH TYR A 45 -1.660 4.029 10.293 1.00 0.00 O ATOM 0 H TYR A 45 -1.403 0.757 3.730 1.00 0.00 H new ATOM 0 HA TYR A 45 -3.091 -0.115 5.959 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -3.256 2.583 4.573 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -4.624 1.870 5.403 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -4.452 1.417 7.895 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -1.500 3.663 5.798 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -3.641 2.337 10.023 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -0.685 4.581 7.926 1.00 0.00 H new ATOM 0 HH TYR A 45 -0.910 4.637 10.122 1.00 0.00 H new ATOM 635 N LYS A 46 -4.510 -1.203 4.266 1.00 0.00 N ATOM 636 CA LYS A 46 -5.330 -1.903 3.284 1.00 0.00 C ATOM 637 C LYS A 46 -6.810 -1.605 3.499 1.00 0.00 C ATOM 638 O LYS A 46 -7.348 -1.834 4.583 1.00 0.00 O ATOM 639 CB LYS A 46 -5.085 -3.412 3.367 1.00 0.00 C ATOM 640 CG LYS A 46 -5.535 -4.170 2.131 1.00 0.00 C ATOM 641 CD LYS A 46 -5.174 -5.643 2.218 1.00 0.00 C ATOM 642 CE LYS A 46 -5.864 -6.452 1.130 1.00 0.00 C ATOM 643 NZ LYS A 46 -7.323 -6.599 1.390 1.00 0.00 N ATOM 0 H LYS A 46 -4.529 -1.613 5.200 1.00 0.00 H new ATOM 0 HA LYS A 46 -5.047 -1.549 2.293 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -4.021 -3.591 3.525 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -5.608 -3.809 4.237 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -6.613 -4.065 2.011 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -5.072 -3.733 1.246 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -4.094 -5.760 2.130 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -5.458 -6.031 3.196 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -5.714 -5.966 0.166 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -5.405 -7.439 1.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -7.648 -7.520 1.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -7.501 -6.541 2.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -7.840 -5.838 0.905 1.00 0.00 H new ATOM 657 N ASP A 47 -7.463 -1.094 2.461 1.00 0.00 N ATOM 658 CA ASP A 47 -8.882 -0.767 2.537 1.00 0.00 C ATOM 659 C ASP A 47 -9.185 0.056 3.785 1.00 0.00 C ATOM 660 O ASP A 47 -10.203 -0.149 4.444 1.00 0.00 O ATOM 661 CB ASP A 47 -9.722 -2.045 2.537 1.00 0.00 C ATOM 662 CG ASP A 47 -9.432 -2.928 1.340 1.00 0.00 C ATOM 663 OD1 ASP A 47 -8.928 -2.405 0.324 1.00 0.00 O ATOM 664 OD2 ASP A 47 -9.709 -4.144 1.419 1.00 0.00 O ATOM 0 H ASP A 47 -7.033 -0.897 1.557 1.00 0.00 H new ATOM 0 HA ASP A 47 -9.140 -0.172 1.661 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -9.528 -2.604 3.453 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -10.780 -1.781 2.543 1.00 0.00 H new ATOM 669 N GLY A 48 -8.292 0.988 4.105 1.00 0.00 N ATOM 670 CA GLY A 48 -8.481 1.827 5.274 1.00 0.00 C ATOM 671 C GLY A 48 -8.302 1.063 6.570 1.00 0.00 C ATOM 672 O GLY A 48 -8.977 1.340 7.562 1.00 0.00 O ATOM 0 H GLY A 48 -7.441 1.177 3.575 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -7.772 2.654 5.242 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -9.480 2.262 5.247 1.00 0.00 H new ATOM 676 N LYS A 49 -7.391 0.096 6.565 1.00 0.00 N ATOM 677 CA LYS A 49 -7.124 -0.713 7.749 1.00 0.00 C ATOM 678 C LYS A 49 -5.624 -0.847 7.989 1.00 0.00 C ATOM 679 O LYS A 49 -4.851 -1.055 7.054 1.00 0.00 O ATOM 680 CB LYS A 49 -7.753 -2.099 7.597 1.00 0.00 C ATOM 681 CG LYS A 49 -9.261 -2.067 7.418 1.00 0.00 C ATOM 682 CD LYS A 49 -9.834 -3.465 7.253 1.00 0.00 C ATOM 683 CE LYS A 49 -9.842 -3.895 5.794 1.00 0.00 C ATOM 684 NZ LYS A 49 -11.090 -3.475 5.099 1.00 0.00 N ATOM 0 H LYS A 49 -6.824 -0.147 5.753 1.00 0.00 H new ATOM 0 HA LYS A 49 -7.568 -0.212 8.609 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -7.304 -2.600 6.739 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -7.513 -2.696 8.477 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -9.720 -1.584 8.281 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -9.512 -1.465 6.545 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -9.246 -4.172 7.839 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -10.850 -3.492 7.647 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -8.980 -3.465 5.284 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -9.740 -4.979 5.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -11.111 -3.887 4.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -11.916 -3.807 5.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -11.116 -2.438 5.029 1.00 0.00 H new ATOM 698 N LYS A 50 -5.219 -0.728 9.249 1.00 0.00 N ATOM 699 CA LYS A 50 -3.811 -0.839 9.614 1.00 0.00 C ATOM 700 C LYS A 50 -3.293 -2.251 9.360 1.00 0.00 C ATOM 701 O LYS A 50 -3.828 -3.225 9.892 1.00 0.00 O ATOM 702 CB LYS A 50 -3.614 -0.469 11.086 1.00 0.00 C ATOM 703 CG LYS A 50 -2.178 -0.122 11.439 1.00 0.00 C ATOM 704 CD LYS A 50 -2.063 0.392 12.864 1.00 0.00 C ATOM 705 CE LYS A 50 -0.729 1.083 13.102 1.00 0.00 C ATOM 706 NZ LYS A 50 -0.743 1.906 14.343 1.00 0.00 N ATOM 0 H LYS A 50 -5.846 -0.555 10.035 1.00 0.00 H new ATOM 0 HA LYS A 50 -3.244 -0.146 8.992 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -4.254 0.380 11.327 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -3.941 -1.302 11.708 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -1.549 -1.004 11.318 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -1.805 0.633 10.747 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -2.876 1.089 13.067 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -2.173 -0.438 13.561 1.00 0.00 H new ATOM 0 HE2 LYS A 50 0.060 0.334 13.172 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -0.492 1.718 12.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 0.184 2.360 14.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -1.479 2.637 14.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -0.944 1.297 15.161 1.00 0.00 H new ATOM 720 N LEU A 51 -2.249 -2.355 8.546 1.00 0.00 N ATOM 721 CA LEU A 51 -1.657 -3.648 8.222 1.00 0.00 C ATOM 722 C LEU A 51 -0.572 -4.018 9.229 1.00 0.00 C ATOM 723 O LEU A 51 0.144 -3.151 9.731 1.00 0.00 O ATOM 724 CB LEU A 51 -1.070 -3.624 6.809 1.00 0.00 C ATOM 725 CG LEU A 51 -2.082 -3.621 5.663 1.00 0.00 C ATOM 726 CD1 LEU A 51 -1.455 -3.054 4.399 1.00 0.00 C ATOM 727 CD2 LEU A 51 -2.612 -5.025 5.414 1.00 0.00 C ATOM 0 H LEU A 51 -1.795 -1.559 8.098 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.443 -4.401 8.269 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.440 -2.739 6.714 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.421 -4.492 6.692 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.920 -2.984 5.946 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.190 -3.060 3.594 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.126 -2.031 4.583 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.598 -3.664 4.112 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.331 -5.003 4.595 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.785 -5.685 5.153 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.101 -5.395 6.316 1.00 0.00 H new ATOM 739 N SER A 52 -0.454 -5.310 9.517 1.00 0.00 N ATOM 740 CA SER A 52 0.543 -5.794 10.464 1.00 0.00 C ATOM 741 C SER A 52 1.525 -6.742 9.783 1.00 0.00 C ATOM 742 O SER A 52 1.174 -7.437 8.830 1.00 0.00 O ATOM 743 CB SER A 52 -0.138 -6.503 11.636 1.00 0.00 C ATOM 744 OG SER A 52 0.798 -6.834 12.647 1.00 0.00 O ATOM 0 H SER A 52 -1.037 -6.040 9.108 1.00 0.00 H new ATOM 0 HA SER A 52 1.097 -4.934 10.841 1.00 0.00 H new ATOM 0 HB2 SER A 52 -0.915 -5.861 12.052 1.00 0.00 H new ATOM 0 HB3 SER A 52 -0.630 -7.409 11.281 1.00 0.00 H new ATOM 0 HG SER A 52 0.337 -7.284 13.385 1.00 0.00 H new ATOM 750 N SER A 53 2.758 -6.764 10.279 1.00 0.00 N ATOM 751 CA SER A 53 3.794 -7.623 9.717 1.00 0.00 C ATOM 752 C SER A 53 3.691 -9.037 10.280 1.00 0.00 C ATOM 753 O SER A 53 4.062 -9.289 11.427 1.00 0.00 O ATOM 754 CB SER A 53 5.180 -7.044 10.008 1.00 0.00 C ATOM 755 OG SER A 53 5.556 -7.276 11.355 1.00 0.00 O ATOM 0 H SER A 53 3.064 -6.196 11.069 1.00 0.00 H new ATOM 0 HA SER A 53 3.648 -7.669 8.638 1.00 0.00 H new ATOM 0 HB2 SER A 53 5.914 -7.494 9.339 1.00 0.00 H new ATOM 0 HB3 SER A 53 5.180 -5.973 9.806 1.00 0.00 H new ATOM 0 HG SER A 53 5.044 -8.031 11.712 1.00 0.00 H new ATOM 761 N SER A 54 3.186 -9.957 9.465 1.00 0.00 N ATOM 762 CA SER A 54 3.030 -11.345 9.881 1.00 0.00 C ATOM 763 C SER A 54 3.631 -12.293 8.848 1.00 0.00 C ATOM 764 O SER A 54 4.056 -11.869 7.773 1.00 0.00 O ATOM 765 CB SER A 54 1.551 -11.674 10.093 1.00 0.00 C ATOM 766 OG SER A 54 1.093 -11.183 11.341 1.00 0.00 O ATOM 0 H SER A 54 2.878 -9.766 8.512 1.00 0.00 H new ATOM 0 HA SER A 54 3.562 -11.477 10.823 1.00 0.00 H new ATOM 0 HB2 SER A 54 0.959 -11.238 9.288 1.00 0.00 H new ATOM 0 HB3 SER A 54 1.405 -12.753 10.048 1.00 0.00 H new ATOM 0 HG SER A 54 0.145 -11.405 11.452 1.00 0.00 H new ATOM 772 N SER A 55 3.663 -13.579 9.182 1.00 0.00 N ATOM 773 CA SER A 55 4.214 -14.589 8.285 1.00 0.00 C ATOM 774 C SER A 55 3.764 -14.343 6.848 1.00 0.00 C ATOM 775 O SER A 55 4.451 -14.718 5.897 1.00 0.00 O ATOM 776 CB SER A 55 3.788 -15.988 8.733 1.00 0.00 C ATOM 777 OG SER A 55 2.376 -16.111 8.746 1.00 0.00 O ATOM 0 H SER A 55 3.314 -13.947 10.067 1.00 0.00 H new ATOM 0 HA SER A 55 5.301 -14.519 8.324 1.00 0.00 H new ATOM 0 HB2 SER A 55 4.215 -16.734 8.063 1.00 0.00 H new ATOM 0 HB3 SER A 55 4.183 -16.191 9.728 1.00 0.00 H new ATOM 0 HG SER A 55 2.129 -17.015 9.034 1.00 0.00 H new ATOM 783 N LYS A 56 2.605 -13.711 6.698 1.00 0.00 N ATOM 784 CA LYS A 56 2.061 -13.413 5.378 1.00 0.00 C ATOM 785 C LYS A 56 2.689 -12.147 4.804 1.00 0.00 C ATOM 786 O LYS A 56 3.464 -12.205 3.848 1.00 0.00 O ATOM 787 CB LYS A 56 0.541 -13.251 5.455 1.00 0.00 C ATOM 788 CG LYS A 56 -0.198 -14.556 5.694 1.00 0.00 C ATOM 789 CD LYS A 56 -1.597 -14.520 5.102 1.00 0.00 C ATOM 790 CE LYS A 56 -1.605 -14.998 3.659 1.00 0.00 C ATOM 791 NZ LYS A 56 -2.930 -15.552 3.264 1.00 0.00 N ATOM 0 H LYS A 56 2.024 -13.395 7.474 1.00 0.00 H new ATOM 0 HA LYS A 56 2.299 -14.247 4.718 1.00 0.00 H new ATOM 0 HB2 LYS A 56 0.298 -12.554 6.257 1.00 0.00 H new ATOM 0 HB3 LYS A 56 0.184 -12.806 4.526 1.00 0.00 H new ATOM 0 HG2 LYS A 56 0.364 -15.379 5.253 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -0.260 -14.750 6.765 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -2.261 -15.147 5.697 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -1.988 -13.504 5.152 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -1.348 -14.168 3.000 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -0.838 -15.761 3.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -2.893 -15.867 2.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -3.165 -16.360 3.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -3.658 -14.817 3.367 1.00 0.00 H new ATOM 805 N VAL A 57 2.352 -11.005 5.394 1.00 0.00 N ATOM 806 CA VAL A 57 2.886 -9.725 4.942 1.00 0.00 C ATOM 807 C VAL A 57 4.149 -9.355 5.710 1.00 0.00 C ATOM 808 O VAL A 57 4.228 -9.542 6.924 1.00 0.00 O ATOM 809 CB VAL A 57 1.850 -8.597 5.104 1.00 0.00 C ATOM 810 CG1 VAL A 57 2.392 -7.289 4.546 1.00 0.00 C ATOM 811 CG2 VAL A 57 0.541 -8.973 4.426 1.00 0.00 C ATOM 0 H VAL A 57 1.712 -10.939 6.186 1.00 0.00 H new ATOM 0 HA VAL A 57 3.127 -9.837 3.885 1.00 0.00 H new ATOM 0 HB VAL A 57 1.655 -8.458 6.167 1.00 0.00 H new ATOM 0 HG11 VAL A 57 1.646 -6.504 4.669 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.301 -7.014 5.082 1.00 0.00 H new ATOM 0 HG13 VAL A 57 2.618 -7.411 3.487 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -0.179 -8.164 4.551 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.717 -9.141 3.364 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.146 -9.883 4.877 1.00 0.00 H new ATOM 821 N ARG A 58 5.137 -8.827 4.994 1.00 0.00 N ATOM 822 CA ARG A 58 6.398 -8.430 5.608 1.00 0.00 C ATOM 823 C ARG A 58 6.768 -7.003 5.217 1.00 0.00 C ATOM 824 O ARG A 58 6.940 -6.696 4.037 1.00 0.00 O ATOM 825 CB ARG A 58 7.516 -9.390 5.194 1.00 0.00 C ATOM 826 CG ARG A 58 8.907 -8.894 5.551 1.00 0.00 C ATOM 827 CD ARG A 58 9.985 -9.713 4.857 1.00 0.00 C ATOM 828 NE ARG A 58 10.160 -11.024 5.476 1.00 0.00 N ATOM 829 CZ ARG A 58 11.254 -11.764 5.334 1.00 0.00 C ATOM 830 NH1 ARG A 58 12.265 -11.323 4.599 1.00 0.00 N ATOM 831 NH2 ARG A 58 11.338 -12.947 5.929 1.00 0.00 N ATOM 0 H ARG A 58 5.088 -8.664 3.988 1.00 0.00 H new ATOM 0 HA ARG A 58 6.275 -8.471 6.690 1.00 0.00 H new ATOM 0 HB2 ARG A 58 7.350 -10.355 5.672 1.00 0.00 H new ATOM 0 HB3 ARG A 58 7.463 -9.554 4.118 1.00 0.00 H new ATOM 0 HG2 ARG A 58 9.005 -7.846 5.267 1.00 0.00 H new ATOM 0 HG3 ARG A 58 9.047 -8.946 6.631 1.00 0.00 H new ATOM 0 HD2 ARG A 58 9.724 -9.840 3.806 1.00 0.00 H new ATOM 0 HD3 ARG A 58 10.929 -9.169 4.887 1.00 0.00 H new ATOM 0 HE ARG A 58 9.400 -11.392 6.049 1.00 0.00 H new ATOM 0 HH11 ARG A 58 12.204 -10.414 4.141 1.00 0.00 H new ATOM 0 HH12 ARG A 58 13.104 -11.893 4.491 1.00 0.00 H new ATOM 0 HH21 ARG A 58 10.562 -13.289 6.496 1.00 0.00 H new ATOM 0 HH22 ARG A 58 12.178 -13.514 5.819 1.00 0.00 H new ATOM 845 N VAL A 59 6.889 -6.133 6.215 1.00 0.00 N ATOM 846 CA VAL A 59 7.239 -4.738 5.976 1.00 0.00 C ATOM 847 C VAL A 59 8.747 -4.529 6.054 1.00 0.00 C ATOM 848 O VAL A 59 9.311 -4.410 7.141 1.00 0.00 O ATOM 849 CB VAL A 59 6.549 -3.805 6.988 1.00 0.00 C ATOM 850 CG1 VAL A 59 6.980 -2.363 6.766 1.00 0.00 C ATOM 851 CG2 VAL A 59 5.037 -3.939 6.890 1.00 0.00 C ATOM 0 H VAL A 59 6.750 -6.370 7.197 1.00 0.00 H new ATOM 0 HA VAL A 59 6.893 -4.492 4.972 1.00 0.00 H new ATOM 0 HB VAL A 59 6.853 -4.099 7.993 1.00 0.00 H new ATOM 0 HG11 VAL A 59 6.482 -1.719 7.491 1.00 0.00 H new ATOM 0 HG12 VAL A 59 8.060 -2.283 6.891 1.00 0.00 H new ATOM 0 HG13 VAL A 59 6.707 -2.053 5.757 1.00 0.00 H new ATOM 0 HG21 VAL A 59 4.565 -3.273 7.612 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.713 -3.672 5.884 1.00 0.00 H new ATOM 0 HG23 VAL A 59 4.748 -4.968 7.103 1.00 0.00 H new ATOM 861 N GLU A 60 9.394 -4.484 4.894 1.00 0.00 N ATOM 862 CA GLU A 60 10.838 -4.288 4.832 1.00 0.00 C ATOM 863 C GLU A 60 11.182 -2.807 4.708 1.00 0.00 C ATOM 864 O GLU A 60 10.484 -2.051 4.032 1.00 0.00 O ATOM 865 CB GLU A 60 11.429 -5.061 3.651 1.00 0.00 C ATOM 866 CG GLU A 60 11.849 -6.479 4.000 1.00 0.00 C ATOM 867 CD GLU A 60 13.017 -6.521 4.965 1.00 0.00 C ATOM 868 OE1 GLU A 60 14.149 -6.209 4.542 1.00 0.00 O ATOM 869 OE2 GLU A 60 12.798 -6.865 6.146 1.00 0.00 O ATOM 0 H GLU A 60 8.942 -4.581 3.985 1.00 0.00 H new ATOM 0 HA GLU A 60 11.270 -4.667 5.758 1.00 0.00 H new ATOM 0 HB2 GLU A 60 10.694 -5.096 2.847 1.00 0.00 H new ATOM 0 HB3 GLU A 60 12.294 -4.519 3.269 1.00 0.00 H new ATOM 0 HG2 GLU A 60 11.002 -7.007 4.438 1.00 0.00 H new ATOM 0 HG3 GLU A 60 12.118 -7.009 3.087 1.00 0.00 H new ATOM 876 N ALA A 61 12.262 -2.399 5.367 1.00 0.00 N ATOM 877 CA ALA A 61 12.700 -1.010 5.330 1.00 0.00 C ATOM 878 C ALA A 61 14.191 -0.912 5.027 1.00 0.00 C ATOM 879 O ALA A 61 15.028 -1.124 5.904 1.00 0.00 O ATOM 880 CB ALA A 61 12.381 -0.321 6.649 1.00 0.00 C ATOM 0 H ALA A 61 12.849 -3.011 5.933 1.00 0.00 H new ATOM 0 HA ALA A 61 12.160 -0.506 4.529 1.00 0.00 H new ATOM 0 HB1 ALA A 61 12.714 0.716 6.607 1.00 0.00 H new ATOM 0 HB2 ALA A 61 11.306 -0.350 6.824 1.00 0.00 H new ATOM 0 HB3 ALA A 61 12.895 -0.835 7.461 1.00 0.00 H new ATOM 886 N VAL A 62 14.517 -0.589 3.779 1.00 0.00 N ATOM 887 CA VAL A 62 15.907 -0.463 3.360 1.00 0.00 C ATOM 888 C VAL A 62 16.227 0.967 2.939 1.00 0.00 C ATOM 889 O VAL A 62 15.385 1.858 3.040 1.00 0.00 O ATOM 890 CB VAL A 62 16.231 -1.415 2.193 1.00 0.00 C ATOM 891 CG1 VAL A 62 16.281 -2.856 2.677 1.00 0.00 C ATOM 892 CG2 VAL A 62 15.210 -1.254 1.077 1.00 0.00 C ATOM 0 H VAL A 62 13.836 -0.410 3.041 1.00 0.00 H new ATOM 0 HA VAL A 62 16.522 -0.732 4.219 1.00 0.00 H new ATOM 0 HB VAL A 62 17.213 -1.156 1.797 1.00 0.00 H new ATOM 0 HG11 VAL A 62 16.511 -3.514 1.839 1.00 0.00 H new ATOM 0 HG12 VAL A 62 17.053 -2.957 3.440 1.00 0.00 H new ATOM 0 HG13 VAL A 62 15.315 -3.132 3.100 1.00 0.00 H new ATOM 0 HG21 VAL A 62 15.453 -1.934 0.260 1.00 0.00 H new ATOM 0 HG22 VAL A 62 14.215 -1.486 1.458 1.00 0.00 H new ATOM 0 HG23 VAL A 62 15.229 -0.227 0.712 1.00 0.00 H new ATOM 902 N GLY A 63 17.451 1.179 2.465 1.00 0.00 N ATOM 903 CA GLY A 63 17.861 2.503 2.035 1.00 0.00 C ATOM 904 C GLY A 63 16.728 3.281 1.395 1.00 0.00 C ATOM 905 O GLY A 63 16.383 3.048 0.236 1.00 0.00 O ATOM 0 H GLY A 63 18.166 0.457 2.371 1.00 0.00 H new ATOM 0 HA2 GLY A 63 18.241 3.059 2.892 1.00 0.00 H new ATOM 0 HA3 GLY A 63 18.683 2.413 1.324 1.00 0.00 H new ATOM 909 N CYS A 64 16.147 4.206 2.150 1.00 0.00 N ATOM 910 CA CYS A 64 15.044 5.020 1.650 1.00 0.00 C ATOM 911 C CYS A 64 14.166 4.218 0.696 1.00 0.00 C ATOM 912 O CYS A 64 13.864 4.664 -0.412 1.00 0.00 O ATOM 913 CB CYS A 64 15.581 6.265 0.944 1.00 0.00 C ATOM 914 SG CYS A 64 16.394 7.446 2.046 1.00 0.00 S ATOM 0 H CYS A 64 16.421 4.412 3.111 1.00 0.00 H new ATOM 0 HA CYS A 64 14.437 5.328 2.501 1.00 0.00 H new ATOM 0 HB2 CYS A 64 16.288 5.956 0.174 1.00 0.00 H new ATOM 0 HB3 CYS A 64 14.756 6.766 0.437 1.00 0.00 H new ATOM 0 HG CYS A 64 16.816 8.464 1.356 1.00 0.00 H new ATOM 920 N THR A 65 13.760 3.029 1.131 1.00 0.00 N ATOM 921 CA THR A 65 12.919 2.163 0.315 1.00 0.00 C ATOM 922 C THR A 65 12.060 1.251 1.185 1.00 0.00 C ATOM 923 O THR A 65 12.578 0.408 1.917 1.00 0.00 O ATOM 924 CB THR A 65 13.763 1.296 -0.639 1.00 0.00 C ATOM 925 OG1 THR A 65 14.214 2.084 -1.746 1.00 0.00 O ATOM 926 CG2 THR A 65 12.959 0.110 -1.148 1.00 0.00 C ATOM 0 H THR A 65 14.000 2.644 2.044 1.00 0.00 H new ATOM 0 HA THR A 65 12.273 2.814 -0.273 1.00 0.00 H new ATOM 0 HB THR A 65 14.624 0.919 -0.086 1.00 0.00 H new ATOM 0 HG1 THR A 65 14.117 3.035 -1.532 1.00 0.00 H new ATOM 0 HG21 THR A 65 13.576 -0.487 -1.819 1.00 0.00 H new ATOM 0 HG22 THR A 65 12.642 -0.504 -0.305 1.00 0.00 H new ATOM 0 HG23 THR A 65 12.081 0.469 -1.685 1.00 0.00 H new ATOM 934 N ARG A 66 10.746 1.426 1.099 1.00 0.00 N ATOM 935 CA ARG A 66 9.815 0.619 1.879 1.00 0.00 C ATOM 936 C ARG A 66 9.044 -0.342 0.980 1.00 0.00 C ATOM 937 O ARG A 66 8.132 0.063 0.259 1.00 0.00 O ATOM 938 CB ARG A 66 8.839 1.520 2.638 1.00 0.00 C ATOM 939 CG ARG A 66 9.521 2.598 3.464 1.00 0.00 C ATOM 940 CD ARG A 66 10.180 2.017 4.705 1.00 0.00 C ATOM 941 NE ARG A 66 10.848 3.043 5.501 1.00 0.00 N ATOM 942 CZ ARG A 66 12.045 3.539 5.205 1.00 0.00 C ATOM 943 NH1 ARG A 66 12.700 3.106 4.137 1.00 0.00 N ATOM 944 NH2 ARG A 66 12.588 4.470 5.978 1.00 0.00 N ATOM 0 H ARG A 66 10.302 2.119 0.497 1.00 0.00 H new ATOM 0 HA ARG A 66 10.391 0.034 2.596 1.00 0.00 H new ATOM 0 HB2 ARG A 66 8.165 1.993 1.924 1.00 0.00 H new ATOM 0 HB3 ARG A 66 8.226 0.904 3.296 1.00 0.00 H new ATOM 0 HG2 ARG A 66 10.271 3.104 2.856 1.00 0.00 H new ATOM 0 HG3 ARG A 66 8.789 3.350 3.758 1.00 0.00 H new ATOM 0 HD2 ARG A 66 9.427 1.518 5.315 1.00 0.00 H new ATOM 0 HD3 ARG A 66 10.905 1.259 4.409 1.00 0.00 H new ATOM 0 HE ARG A 66 10.370 3.398 6.329 1.00 0.00 H new ATOM 0 HH11 ARG A 66 12.286 2.390 3.540 1.00 0.00 H new ATOM 0 HH12 ARG A 66 13.618 3.488 3.912 1.00 0.00 H new ATOM 0 HH21 ARG A 66 12.087 4.806 6.800 1.00 0.00 H new ATOM 0 HH22 ARG A 66 13.507 4.850 5.750 1.00 0.00 H new ATOM 958 N ARG A 67 9.416 -1.617 1.029 1.00 0.00 N ATOM 959 CA ARG A 67 8.760 -2.636 0.218 1.00 0.00 C ATOM 960 C ARG A 67 7.886 -3.539 1.083 1.00 0.00 C ATOM 961 O ARG A 67 8.230 -3.845 2.225 1.00 0.00 O ATOM 962 CB ARG A 67 9.801 -3.475 -0.525 1.00 0.00 C ATOM 963 CG ARG A 67 10.576 -4.422 0.377 1.00 0.00 C ATOM 964 CD ARG A 67 11.833 -4.939 -0.306 1.00 0.00 C ATOM 965 NE ARG A 67 11.523 -5.833 -1.418 1.00 0.00 N ATOM 966 CZ ARG A 67 12.431 -6.273 -2.282 1.00 0.00 C ATOM 967 NH1 ARG A 67 13.699 -5.905 -2.162 1.00 0.00 N ATOM 968 NH2 ARG A 67 12.071 -7.085 -3.268 1.00 0.00 N ATOM 0 H ARG A 67 10.168 -1.969 1.622 1.00 0.00 H new ATOM 0 HA ARG A 67 8.124 -2.132 -0.509 1.00 0.00 H new ATOM 0 HB2 ARG A 67 9.302 -4.054 -1.302 1.00 0.00 H new ATOM 0 HB3 ARG A 67 10.503 -2.808 -1.026 1.00 0.00 H new ATOM 0 HG2 ARG A 67 10.847 -3.908 1.299 1.00 0.00 H new ATOM 0 HG3 ARG A 67 9.940 -5.262 0.656 1.00 0.00 H new ATOM 0 HD2 ARG A 67 12.420 -4.096 -0.671 1.00 0.00 H new ATOM 0 HD3 ARG A 67 12.450 -5.466 0.422 1.00 0.00 H new ATOM 0 HE ARG A 67 10.557 -6.136 -1.538 1.00 0.00 H new ATOM 0 HH11 ARG A 67 13.980 -5.282 -1.405 1.00 0.00 H new ATOM 0 HH12 ARG A 67 14.394 -6.245 -2.827 1.00 0.00 H new ATOM 0 HH21 ARG A 67 11.097 -7.372 -3.363 1.00 0.00 H new ATOM 0 HH22 ARG A 67 12.769 -7.423 -3.931 1.00 0.00 H new ATOM 982 N LEU A 68 6.754 -3.963 0.531 1.00 0.00 N ATOM 983 CA LEU A 68 5.829 -4.831 1.251 1.00 0.00 C ATOM 984 C LEU A 68 5.628 -6.148 0.509 1.00 0.00 C ATOM 985 O LEU A 68 4.880 -6.216 -0.466 1.00 0.00 O ATOM 986 CB LEU A 68 4.483 -4.130 1.442 1.00 0.00 C ATOM 987 CG LEU A 68 3.520 -4.783 2.434 1.00 0.00 C ATOM 988 CD1 LEU A 68 3.742 -4.232 3.834 1.00 0.00 C ATOM 989 CD2 LEU A 68 2.078 -4.570 1.997 1.00 0.00 C ATOM 0 H LEU A 68 6.455 -3.719 -0.413 1.00 0.00 H new ATOM 0 HA LEU A 68 6.260 -5.048 2.228 1.00 0.00 H new ATOM 0 HB2 LEU A 68 4.672 -3.108 1.769 1.00 0.00 H new ATOM 0 HB3 LEU A 68 3.988 -4.068 0.473 1.00 0.00 H new ATOM 0 HG LEU A 68 3.718 -5.855 2.452 1.00 0.00 H new ATOM 0 HD11 LEU A 68 3.048 -4.708 4.527 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.766 -4.437 4.148 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.572 -3.155 3.833 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.407 -5.042 2.715 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.866 -3.502 1.950 1.00 0.00 H new ATOM 0 HD23 LEU A 68 1.927 -5.014 1.013 1.00 0.00 H new ATOM 1001 N VAL A 69 6.301 -7.195 0.978 1.00 0.00 N ATOM 1002 CA VAL A 69 6.194 -8.511 0.361 1.00 0.00 C ATOM 1003 C VAL A 69 4.956 -9.251 0.855 1.00 0.00 C ATOM 1004 O VAL A 69 4.853 -9.593 2.033 1.00 0.00 O ATOM 1005 CB VAL A 69 7.441 -9.369 0.649 1.00 0.00 C ATOM 1006 CG1 VAL A 69 7.252 -10.781 0.115 1.00 0.00 C ATOM 1007 CG2 VAL A 69 8.681 -8.724 0.049 1.00 0.00 C ATOM 0 H VAL A 69 6.926 -7.156 1.783 1.00 0.00 H new ATOM 0 HA VAL A 69 6.113 -8.351 -0.714 1.00 0.00 H new ATOM 0 HB VAL A 69 7.578 -9.430 1.729 1.00 0.00 H new ATOM 0 HG11 VAL A 69 8.143 -11.373 0.327 1.00 0.00 H new ATOM 0 HG12 VAL A 69 6.388 -11.240 0.597 1.00 0.00 H new ATOM 0 HG13 VAL A 69 7.089 -10.744 -0.962 1.00 0.00 H new ATOM 0 HG21 VAL A 69 9.552 -9.343 0.262 1.00 0.00 H new ATOM 0 HG22 VAL A 69 8.557 -8.631 -1.030 1.00 0.00 H new ATOM 0 HG23 VAL A 69 8.824 -7.735 0.484 1.00 0.00 H new ATOM 1017 N VAL A 70 4.017 -9.496 -0.053 1.00 0.00 N ATOM 1018 CA VAL A 70 2.786 -10.197 0.289 1.00 0.00 C ATOM 1019 C VAL A 70 2.835 -11.650 -0.170 1.00 0.00 C ATOM 1020 O VAL A 70 2.648 -11.944 -1.351 1.00 0.00 O ATOM 1021 CB VAL A 70 1.557 -9.513 -0.338 1.00 0.00 C ATOM 1022 CG1 VAL A 70 0.288 -10.282 -0.003 1.00 0.00 C ATOM 1023 CG2 VAL A 70 1.454 -8.069 0.132 1.00 0.00 C ATOM 0 H VAL A 70 4.086 -9.219 -1.032 1.00 0.00 H new ATOM 0 HA VAL A 70 2.695 -10.165 1.375 1.00 0.00 H new ATOM 0 HB VAL A 70 1.677 -9.512 -1.421 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.570 -9.783 -0.455 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.364 -11.297 -0.393 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.159 -10.317 1.079 1.00 0.00 H new ATOM 0 HG21 VAL A 70 0.580 -7.601 -0.321 1.00 0.00 H new ATOM 0 HG22 VAL A 70 1.357 -8.046 1.217 1.00 0.00 H new ATOM 0 HG23 VAL A 70 2.351 -7.525 -0.164 1.00 0.00 H new ATOM 1033 N GLN A 71 3.087 -12.554 0.770 1.00 0.00 N ATOM 1034 CA GLN A 71 3.160 -13.978 0.461 1.00 0.00 C ATOM 1035 C GLN A 71 1.773 -14.547 0.185 1.00 0.00 C ATOM 1036 O GLN A 71 0.793 -14.150 0.815 1.00 0.00 O ATOM 1037 CB GLN A 71 3.816 -14.738 1.615 1.00 0.00 C ATOM 1038 CG GLN A 71 5.215 -14.247 1.950 1.00 0.00 C ATOM 1039 CD GLN A 71 6.284 -14.900 1.096 1.00 0.00 C ATOM 1040 OE1 GLN A 71 5.982 -15.682 0.194 1.00 0.00 O ATOM 1041 NE2 GLN A 71 7.542 -14.581 1.375 1.00 0.00 N ATOM 0 H GLN A 71 3.244 -12.327 1.752 1.00 0.00 H new ATOM 0 HA GLN A 71 3.767 -14.099 -0.436 1.00 0.00 H new ATOM 0 HB2 GLN A 71 3.187 -14.650 2.501 1.00 0.00 H new ATOM 0 HB3 GLN A 71 3.863 -15.797 1.361 1.00 0.00 H new ATOM 0 HG2 GLN A 71 5.258 -13.166 1.816 1.00 0.00 H new ATOM 0 HG3 GLN A 71 5.424 -14.446 3.001 1.00 0.00 H new ATOM 0 HE21 GLN A 71 7.747 -13.928 2.132 1.00 0.00 H new ATOM 0 HE22 GLN A 71 8.304 -14.989 0.833 1.00 0.00 H new ATOM 1050 N GLN A 72 1.698 -15.478 -0.761 1.00 0.00 N ATOM 1051 CA GLN A 72 0.429 -16.100 -1.120 1.00 0.00 C ATOM 1052 C GLN A 72 -0.610 -15.046 -1.487 1.00 0.00 C ATOM 1053 O GLN A 72 -1.715 -15.035 -0.945 1.00 0.00 O ATOM 1054 CB GLN A 72 -0.086 -16.962 0.034 1.00 0.00 C ATOM 1055 CG GLN A 72 0.494 -18.367 0.050 1.00 0.00 C ATOM 1056 CD GLN A 72 -0.094 -19.228 1.151 1.00 0.00 C ATOM 1057 OE1 GLN A 72 0.558 -19.496 2.161 1.00 0.00 O ATOM 1058 NE2 GLN A 72 -1.333 -19.667 0.961 1.00 0.00 N ATOM 0 H GLN A 72 2.500 -15.818 -1.292 1.00 0.00 H new ATOM 0 HA GLN A 72 0.598 -16.735 -1.990 1.00 0.00 H new ATOM 0 HB2 GLN A 72 0.150 -16.470 0.977 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -1.172 -17.027 -0.029 1.00 0.00 H new ATOM 0 HG2 GLN A 72 0.312 -18.842 -0.914 1.00 0.00 H new ATOM 0 HG3 GLN A 72 1.575 -18.308 0.178 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -1.836 -19.420 0.109 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -1.781 -20.251 1.667 1.00 0.00 H new ATOM 1067 N ALA A 73 -0.248 -14.161 -2.409 1.00 0.00 N ATOM 1068 CA ALA A 73 -1.150 -13.103 -2.849 1.00 0.00 C ATOM 1069 C ALA A 73 -2.444 -13.683 -3.409 1.00 0.00 C ATOM 1070 O ALA A 73 -2.466 -14.225 -4.513 1.00 0.00 O ATOM 1071 CB ALA A 73 -0.468 -12.227 -3.889 1.00 0.00 C ATOM 0 H ALA A 73 0.664 -14.155 -2.866 1.00 0.00 H new ATOM 0 HA ALA A 73 -1.402 -12.491 -1.983 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -1.153 -11.441 -4.209 1.00 0.00 H new ATOM 0 HB2 ALA A 73 0.425 -11.776 -3.456 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.187 -12.835 -4.749 1.00 0.00 H new ATOM 1077 N GLY A 74 -3.522 -13.565 -2.639 1.00 0.00 N ATOM 1078 CA GLY A 74 -4.805 -14.084 -3.076 1.00 0.00 C ATOM 1079 C GLY A 74 -5.880 -13.015 -3.114 1.00 0.00 C ATOM 1080 O GLY A 74 -5.648 -11.880 -2.699 1.00 0.00 O ATOM 0 H GLY A 74 -3.530 -13.120 -1.721 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -4.697 -14.522 -4.068 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -5.117 -14.885 -2.406 1.00 0.00 H new ATOM 1084 N GLN A 75 -7.056 -13.379 -3.613 1.00 0.00 N ATOM 1085 CA GLN A 75 -8.169 -12.441 -3.705 1.00 0.00 C ATOM 1086 C GLN A 75 -8.209 -11.522 -2.488 1.00 0.00 C ATOM 1087 O GLN A 75 -8.280 -10.301 -2.622 1.00 0.00 O ATOM 1088 CB GLN A 75 -9.493 -13.198 -3.831 1.00 0.00 C ATOM 1089 CG GLN A 75 -9.705 -13.828 -5.198 1.00 0.00 C ATOM 1090 CD GLN A 75 -9.830 -12.797 -6.303 1.00 0.00 C ATOM 1091 OE1 GLN A 75 -10.495 -11.774 -6.140 1.00 0.00 O ATOM 1092 NE2 GLN A 75 -9.189 -13.062 -7.435 1.00 0.00 N ATOM 0 H GLN A 75 -7.263 -14.316 -3.960 1.00 0.00 H new ATOM 0 HA GLN A 75 -8.022 -11.829 -4.595 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -9.530 -13.978 -3.071 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -10.315 -12.513 -3.624 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -8.871 -14.494 -5.420 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -10.606 -14.442 -5.175 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -8.649 -13.923 -7.526 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -9.236 -12.405 -8.214 1.00 0.00 H new ATOM 1101 N ALA A 76 -8.164 -12.118 -1.301 1.00 0.00 N ATOM 1102 CA ALA A 76 -8.193 -11.354 -0.061 1.00 0.00 C ATOM 1103 C ALA A 76 -7.098 -10.293 -0.044 1.00 0.00 C ATOM 1104 O ALA A 76 -7.357 -9.126 0.248 1.00 0.00 O ATOM 1105 CB ALA A 76 -8.049 -12.283 1.136 1.00 0.00 C ATOM 0 H ALA A 76 -8.107 -13.128 -1.173 1.00 0.00 H new ATOM 0 HA ALA A 76 -9.156 -10.846 0.001 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -8.072 -11.698 2.055 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -8.870 -13.000 1.141 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -7.101 -12.817 1.070 1.00 0.00 H new ATOM 1111 N GLU A 77 -5.874 -10.707 -0.358 1.00 0.00 N ATOM 1112 CA GLU A 77 -4.740 -9.791 -0.377 1.00 0.00 C ATOM 1113 C GLU A 77 -4.923 -8.720 -1.448 1.00 0.00 C ATOM 1114 O GLU A 77 -4.504 -7.576 -1.276 1.00 0.00 O ATOM 1115 CB GLU A 77 -3.440 -10.559 -0.625 1.00 0.00 C ATOM 1116 CG GLU A 77 -2.985 -11.386 0.566 1.00 0.00 C ATOM 1117 CD GLU A 77 -4.078 -12.293 1.097 1.00 0.00 C ATOM 1118 OE1 GLU A 77 -4.655 -13.058 0.296 1.00 0.00 O ATOM 1119 OE2 GLU A 77 -4.356 -12.239 2.313 1.00 0.00 O ATOM 0 H GLU A 77 -5.643 -11.670 -0.602 1.00 0.00 H new ATOM 0 HA GLU A 77 -4.685 -9.302 0.595 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -3.575 -11.217 -1.483 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -2.654 -9.851 -0.887 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -2.125 -11.990 0.277 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -2.653 -10.719 1.361 1.00 0.00 H new ATOM 1126 N ALA A 78 -5.552 -9.101 -2.556 1.00 0.00 N ATOM 1127 CA ALA A 78 -5.793 -8.174 -3.655 1.00 0.00 C ATOM 1128 C ALA A 78 -6.675 -7.012 -3.210 1.00 0.00 C ATOM 1129 O ALA A 78 -7.810 -7.211 -2.779 1.00 0.00 O ATOM 1130 CB ALA A 78 -6.428 -8.902 -4.830 1.00 0.00 C ATOM 0 H ALA A 78 -5.904 -10.045 -2.716 1.00 0.00 H new ATOM 0 HA ALA A 78 -4.833 -7.766 -3.971 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -6.602 -8.198 -5.643 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -5.760 -9.693 -5.172 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -7.377 -9.338 -4.518 1.00 0.00 H new ATOM 1136 N GLY A 79 -6.144 -5.797 -3.317 1.00 0.00 N ATOM 1137 CA GLY A 79 -6.897 -4.622 -2.921 1.00 0.00 C ATOM 1138 C GLY A 79 -6.134 -3.335 -3.166 1.00 0.00 C ATOM 1139 O GLY A 79 -5.609 -3.116 -4.257 1.00 0.00 O ATOM 0 H GLY A 79 -5.206 -5.606 -3.671 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -7.837 -4.594 -3.472 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -7.149 -4.695 -1.863 1.00 0.00 H new ATOM 1143 N GLU A 80 -6.074 -2.481 -2.149 1.00 0.00 N ATOM 1144 CA GLU A 80 -5.372 -1.208 -2.261 1.00 0.00 C ATOM 1145 C GLU A 80 -4.537 -0.936 -1.013 1.00 0.00 C ATOM 1146 O GLU A 80 -5.073 -0.790 0.086 1.00 0.00 O ATOM 1147 CB GLU A 80 -6.368 -0.068 -2.481 1.00 0.00 C ATOM 1148 CG GLU A 80 -6.769 0.118 -3.934 1.00 0.00 C ATOM 1149 CD GLU A 80 -7.826 1.190 -4.115 1.00 0.00 C ATOM 1150 OE1 GLU A 80 -7.455 2.379 -4.208 1.00 0.00 O ATOM 1151 OE2 GLU A 80 -9.024 0.841 -4.164 1.00 0.00 O ATOM 0 H GLU A 80 -6.503 -2.648 -1.239 1.00 0.00 H new ATOM 0 HA GLU A 80 -4.703 -1.266 -3.119 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -7.262 -0.259 -1.888 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -5.932 0.860 -2.111 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -5.888 0.380 -4.520 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -7.144 -0.827 -4.327 1.00 0.00 H new ATOM 1158 N TYR A 81 -3.223 -0.869 -1.190 1.00 0.00 N ATOM 1159 CA TYR A 81 -2.313 -0.617 -0.079 1.00 0.00 C ATOM 1160 C TYR A 81 -1.856 0.839 -0.068 1.00 0.00 C ATOM 1161 O TYR A 81 -1.420 1.372 -1.088 1.00 0.00 O ATOM 1162 CB TYR A 81 -1.099 -1.543 -0.166 1.00 0.00 C ATOM 1163 CG TYR A 81 -1.450 -3.011 -0.075 1.00 0.00 C ATOM 1164 CD1 TYR A 81 -2.201 -3.629 -1.068 1.00 0.00 C ATOM 1165 CD2 TYR A 81 -1.031 -3.781 1.003 1.00 0.00 C ATOM 1166 CE1 TYR A 81 -2.524 -4.970 -0.989 1.00 0.00 C ATOM 1167 CE2 TYR A 81 -1.348 -5.122 1.090 1.00 0.00 C ATOM 1168 CZ TYR A 81 -2.095 -5.712 0.091 1.00 0.00 C ATOM 1169 OH TYR A 81 -2.415 -7.048 0.174 1.00 0.00 O ATOM 0 H TYR A 81 -2.763 -0.986 -2.093 1.00 0.00 H new ATOM 0 HA TYR A 81 -2.849 -0.818 0.849 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -0.579 -1.360 -1.107 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -0.404 -1.294 0.636 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -2.538 -3.051 -1.916 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -0.447 -3.322 1.787 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -3.109 -5.434 -1.769 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -1.013 -5.706 1.935 1.00 0.00 H new ATOM 0 HH TYR A 81 -3.288 -7.202 -0.245 1.00 0.00 H new ATOM 1179 N SER A 82 -1.960 1.476 1.094 1.00 0.00 N ATOM 1180 CA SER A 82 -1.561 2.871 1.239 1.00 0.00 C ATOM 1181 C SER A 82 -0.405 3.005 2.226 1.00 0.00 C ATOM 1182 O SER A 82 -0.575 2.804 3.429 1.00 0.00 O ATOM 1183 CB SER A 82 -2.747 3.716 1.707 1.00 0.00 C ATOM 1184 OG SER A 82 -3.859 3.559 0.842 1.00 0.00 O ATOM 0 H SER A 82 -2.317 1.048 1.948 1.00 0.00 H new ATOM 0 HA SER A 82 -1.229 3.232 0.266 1.00 0.00 H new ATOM 0 HB2 SER A 82 -3.027 3.426 2.720 1.00 0.00 H new ATOM 0 HB3 SER A 82 -2.457 4.766 1.744 1.00 0.00 H new ATOM 0 HG SER A 82 -4.604 4.108 1.164 1.00 0.00 H new ATOM 1190 N CYS A 83 0.769 3.347 1.708 1.00 0.00 N ATOM 1191 CA CYS A 83 1.955 3.509 2.543 1.00 0.00 C ATOM 1192 C CYS A 83 1.992 4.897 3.172 1.00 0.00 C ATOM 1193 O CYS A 83 2.591 5.821 2.624 1.00 0.00 O ATOM 1194 CB CYS A 83 3.220 3.276 1.717 1.00 0.00 C ATOM 1195 SG CYS A 83 4.708 3.003 2.707 1.00 0.00 S ATOM 0 H CYS A 83 0.926 3.518 0.715 1.00 0.00 H new ATOM 0 HA CYS A 83 1.910 2.770 3.343 1.00 0.00 H new ATOM 0 HB2 CYS A 83 3.064 2.413 1.069 1.00 0.00 H new ATOM 0 HB3 CYS A 83 3.381 4.137 1.068 1.00 0.00 H new ATOM 0 HG CYS A 83 5.701 2.700 1.924 1.00 0.00 H new ATOM 1201 N GLU A 84 1.345 5.036 4.326 1.00 0.00 N ATOM 1202 CA GLU A 84 1.303 6.313 5.028 1.00 0.00 C ATOM 1203 C GLU A 84 2.675 6.670 5.591 1.00 0.00 C ATOM 1204 O GLU A 84 3.389 5.810 6.106 1.00 0.00 O ATOM 1205 CB GLU A 84 0.272 6.265 6.158 1.00 0.00 C ATOM 1206 CG GLU A 84 -0.292 7.628 6.525 1.00 0.00 C ATOM 1207 CD GLU A 84 -1.285 7.558 7.669 1.00 0.00 C ATOM 1208 OE1 GLU A 84 -2.037 6.564 7.744 1.00 0.00 O ATOM 1209 OE2 GLU A 84 -1.310 8.499 8.490 1.00 0.00 O ATOM 0 H GLU A 84 0.844 4.281 4.793 1.00 0.00 H new ATOM 0 HA GLU A 84 1.012 7.082 4.313 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -0.547 5.609 5.863 1.00 0.00 H new ATOM 0 HB3 GLU A 84 0.733 5.822 7.041 1.00 0.00 H new ATOM 0 HG2 GLU A 84 0.526 8.294 6.799 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -0.779 8.063 5.652 1.00 0.00 H new ATOM 1216 N ALA A 85 3.036 7.945 5.490 1.00 0.00 N ATOM 1217 CA ALA A 85 4.322 8.417 5.990 1.00 0.00 C ATOM 1218 C ALA A 85 4.387 9.940 5.986 1.00 0.00 C ATOM 1219 O ALA A 85 4.317 10.571 4.932 1.00 0.00 O ATOM 1220 CB ALA A 85 5.457 7.835 5.161 1.00 0.00 C ATOM 0 H ALA A 85 2.456 8.670 5.067 1.00 0.00 H new ATOM 0 HA ALA A 85 4.430 8.078 7.020 1.00 0.00 H new ATOM 0 HB1 ALA A 85 6.411 8.196 5.546 1.00 0.00 H new ATOM 0 HB2 ALA A 85 5.430 6.747 5.220 1.00 0.00 H new ATOM 0 HB3 ALA A 85 5.344 8.144 4.122 1.00 0.00 H new ATOM 1226 N GLY A 86 4.521 10.526 7.172 1.00 0.00 N ATOM 1227 CA GLY A 86 4.592 11.972 7.282 1.00 0.00 C ATOM 1228 C GLY A 86 3.323 12.652 6.808 1.00 0.00 C ATOM 1229 O GLY A 86 3.376 13.670 6.120 1.00 0.00 O ATOM 0 H GLY A 86 4.582 10.025 8.059 1.00 0.00 H new ATOM 0 HA2 GLY A 86 4.781 12.246 8.320 1.00 0.00 H new ATOM 0 HA3 GLY A 86 5.436 12.337 6.697 1.00 0.00 H new ATOM 1233 N GLY A 87 2.177 12.088 7.177 1.00 0.00 N ATOM 1234 CA GLY A 87 0.905 12.659 6.775 1.00 0.00 C ATOM 1235 C GLY A 87 0.506 12.254 5.370 1.00 0.00 C ATOM 1236 O GLY A 87 -0.674 12.286 5.020 1.00 0.00 O ATOM 0 H GLY A 87 2.107 11.245 7.747 1.00 0.00 H new ATOM 0 HA2 GLY A 87 0.131 12.343 7.475 1.00 0.00 H new ATOM 0 HA3 GLY A 87 0.963 13.746 6.834 1.00 0.00 H new ATOM 1240 N GLN A 88 1.491 11.873 4.563 1.00 0.00 N ATOM 1241 CA GLN A 88 1.235 11.463 3.187 1.00 0.00 C ATOM 1242 C GLN A 88 0.951 9.967 3.110 1.00 0.00 C ATOM 1243 O GLN A 88 0.956 9.272 4.125 1.00 0.00 O ATOM 1244 CB GLN A 88 2.429 11.814 2.298 1.00 0.00 C ATOM 1245 CG GLN A 88 2.521 13.293 1.958 1.00 0.00 C ATOM 1246 CD GLN A 88 3.494 13.574 0.830 1.00 0.00 C ATOM 1247 OE1 GLN A 88 4.733 13.894 1.183 1.00 0.00 O flip ATOM 1248 NE2 GLN A 88 3.135 13.504 -0.346 1.00 0.00 N flip ATOM 0 H GLN A 88 2.473 11.840 4.838 1.00 0.00 H new ATOM 0 HA GLN A 88 0.356 12.000 2.831 1.00 0.00 H new ATOM 0 HB2 GLN A 88 3.347 11.507 2.799 1.00 0.00 H new ATOM 0 HB3 GLN A 88 2.364 11.241 1.373 1.00 0.00 H new ATOM 0 HG2 GLN A 88 1.533 13.660 1.680 1.00 0.00 H new ATOM 0 HG3 GLN A 88 2.829 13.847 2.845 1.00 0.00 H new ATOM 0 HE21 GLN A 88 2.172 13.254 -0.571 1.00 0.00 H new ATOM 0 HE22 GLN A 88 3.801 13.696 -1.095 1.00 0.00 H new ATOM 1257 N GLN A 89 0.704 9.478 1.898 1.00 0.00 N ATOM 1258 CA GLN A 89 0.417 8.064 1.689 1.00 0.00 C ATOM 1259 C GLN A 89 0.344 7.738 0.201 1.00 0.00 C ATOM 1260 O GLN A 89 -0.404 8.367 -0.547 1.00 0.00 O ATOM 1261 CB GLN A 89 -0.898 7.683 2.372 1.00 0.00 C ATOM 1262 CG GLN A 89 -2.049 8.619 2.042 1.00 0.00 C ATOM 1263 CD GLN A 89 -2.018 9.894 2.862 1.00 0.00 C ATOM 1264 OE1 GLN A 89 -1.634 10.954 2.368 1.00 0.00 O ATOM 1265 NE2 GLN A 89 -2.424 9.797 4.122 1.00 0.00 N ATOM 0 H GLN A 89 0.697 10.040 1.047 1.00 0.00 H new ATOM 0 HA GLN A 89 1.228 7.485 2.130 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -1.170 6.669 2.078 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -0.747 7.673 3.451 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -2.014 8.872 0.982 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -2.993 8.103 2.215 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -2.734 8.898 4.490 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -2.426 10.622 4.722 1.00 0.00 H new ATOM 1274 N LEU A 90 1.126 6.750 -0.221 1.00 0.00 N ATOM 1275 CA LEU A 90 1.151 6.340 -1.621 1.00 0.00 C ATOM 1276 C LEU A 90 0.236 5.141 -1.853 1.00 0.00 C ATOM 1277 O LEU A 90 0.257 4.175 -1.090 1.00 0.00 O ATOM 1278 CB LEU A 90 2.579 5.996 -2.047 1.00 0.00 C ATOM 1279 CG LEU A 90 3.583 7.150 -2.023 1.00 0.00 C ATOM 1280 CD1 LEU A 90 4.993 6.626 -1.799 1.00 0.00 C ATOM 1281 CD2 LEU A 90 3.507 7.949 -3.315 1.00 0.00 C ATOM 0 H LEU A 90 1.751 6.219 0.386 1.00 0.00 H new ATOM 0 HA LEU A 90 0.789 7.172 -2.225 1.00 0.00 H new ATOM 0 HB2 LEU A 90 2.950 5.204 -1.396 1.00 0.00 H new ATOM 0 HB3 LEU A 90 2.547 5.589 -3.058 1.00 0.00 H new ATOM 0 HG LEU A 90 3.328 7.812 -1.195 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.694 7.461 -1.785 1.00 0.00 H new ATOM 0 HD12 LEU A 90 5.038 6.098 -0.846 1.00 0.00 H new ATOM 0 HD13 LEU A 90 5.259 5.942 -2.605 1.00 0.00 H new ATOM 0 HD21 LEU A 90 4.228 8.766 -3.281 1.00 0.00 H new ATOM 0 HD22 LEU A 90 3.736 7.298 -4.159 1.00 0.00 H new ATOM 0 HD23 LEU A 90 2.503 8.356 -3.432 1.00 0.00 H new ATOM 1293 N SER A 91 -0.563 5.209 -2.913 1.00 0.00 N ATOM 1294 CA SER A 91 -1.486 4.130 -3.245 1.00 0.00 C ATOM 1295 C SER A 91 -0.780 3.038 -4.043 1.00 0.00 C ATOM 1296 O SER A 91 0.123 3.316 -4.833 1.00 0.00 O ATOM 1297 CB SER A 91 -2.674 4.674 -4.041 1.00 0.00 C ATOM 1298 OG SER A 91 -2.933 6.027 -3.711 1.00 0.00 O ATOM 0 H SER A 91 -0.590 6.000 -3.557 1.00 0.00 H new ATOM 0 HA SER A 91 -1.850 3.696 -2.314 1.00 0.00 H new ATOM 0 HB2 SER A 91 -2.470 4.590 -5.108 1.00 0.00 H new ATOM 0 HB3 SER A 91 -3.559 4.071 -3.837 1.00 0.00 H new ATOM 0 HG SER A 91 -3.695 6.351 -4.234 1.00 0.00 H new ATOM 1304 N PHE A 92 -1.199 1.795 -3.832 1.00 0.00 N ATOM 1305 CA PHE A 92 -0.608 0.660 -4.530 1.00 0.00 C ATOM 1306 C PHE A 92 -1.644 -0.437 -4.761 1.00 0.00 C ATOM 1307 O PHE A 92 -2.025 -1.151 -3.833 1.00 0.00 O ATOM 1308 CB PHE A 92 0.573 0.102 -3.733 1.00 0.00 C ATOM 1309 CG PHE A 92 1.835 0.900 -3.892 1.00 0.00 C ATOM 1310 CD1 PHE A 92 2.040 2.052 -3.151 1.00 0.00 C ATOM 1311 CD2 PHE A 92 2.816 0.498 -4.784 1.00 0.00 C ATOM 1312 CE1 PHE A 92 3.200 2.789 -3.297 1.00 0.00 C ATOM 1313 CE2 PHE A 92 3.979 1.230 -4.934 1.00 0.00 C ATOM 1314 CZ PHE A 92 4.171 2.377 -4.188 1.00 0.00 C ATOM 0 H PHE A 92 -1.946 1.548 -3.183 1.00 0.00 H new ATOM 0 HA PHE A 92 -0.251 1.008 -5.499 1.00 0.00 H new ATOM 0 HB2 PHE A 92 0.305 0.068 -2.677 1.00 0.00 H new ATOM 0 HB3 PHE A 92 0.760 -0.925 -4.047 1.00 0.00 H new ATOM 0 HD1 PHE A 92 1.285 2.378 -2.451 1.00 0.00 H new ATOM 0 HD2 PHE A 92 2.670 -0.398 -5.369 1.00 0.00 H new ATOM 0 HE1 PHE A 92 3.347 3.687 -2.715 1.00 0.00 H new ATOM 0 HE2 PHE A 92 4.736 0.906 -5.633 1.00 0.00 H new ATOM 0 HZ PHE A 92 5.079 2.950 -4.302 1.00 0.00 H new ATOM 1324 N ARG A 93 -2.096 -0.563 -6.004 1.00 0.00 N ATOM 1325 CA ARG A 93 -3.089 -1.571 -6.358 1.00 0.00 C ATOM 1326 C ARG A 93 -2.431 -2.930 -6.573 1.00 0.00 C ATOM 1327 O ARG A 93 -1.438 -3.044 -7.293 1.00 0.00 O ATOM 1328 CB ARG A 93 -3.844 -1.152 -7.620 1.00 0.00 C ATOM 1329 CG ARG A 93 -5.270 -1.675 -7.678 1.00 0.00 C ATOM 1330 CD ARG A 93 -5.308 -3.195 -7.656 1.00 0.00 C ATOM 1331 NE ARG A 93 -6.567 -3.719 -8.178 1.00 0.00 N ATOM 1332 CZ ARG A 93 -7.675 -3.826 -7.452 1.00 0.00 C ATOM 1333 NH1 ARG A 93 -7.679 -3.447 -6.182 1.00 0.00 N ATOM 1334 NH2 ARG A 93 -8.782 -4.313 -7.998 1.00 0.00 N ATOM 0 H ARG A 93 -1.791 0.020 -6.783 1.00 0.00 H new ATOM 0 HA ARG A 93 -3.795 -1.656 -5.532 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -3.862 -0.064 -7.678 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -3.299 -1.508 -8.494 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -5.837 -1.284 -6.833 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -5.756 -1.311 -8.583 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -4.480 -3.587 -8.247 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -5.165 -3.546 -6.634 1.00 0.00 H new ATOM 0 HE ARG A 93 -6.598 -4.019 -9.152 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -6.830 -3.072 -5.759 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -8.531 -3.530 -5.628 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -8.783 -4.605 -8.975 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -9.632 -4.395 -7.440 1.00 0.00 H new ATOM 1348 N LEU A 94 -2.990 -3.959 -5.945 1.00 0.00 N ATOM 1349 CA LEU A 94 -2.458 -5.311 -6.068 1.00 0.00 C ATOM 1350 C LEU A 94 -3.454 -6.227 -6.773 1.00 0.00 C ATOM 1351 O LEU A 94 -4.533 -6.503 -6.251 1.00 0.00 O ATOM 1352 CB LEU A 94 -2.120 -5.875 -4.686 1.00 0.00 C ATOM 1353 CG LEU A 94 -1.761 -7.360 -4.637 1.00 0.00 C ATOM 1354 CD1 LEU A 94 -0.554 -7.647 -5.516 1.00 0.00 C ATOM 1355 CD2 LEU A 94 -1.495 -7.797 -3.203 1.00 0.00 C ATOM 0 H LEU A 94 -3.812 -3.882 -5.345 1.00 0.00 H new ATOM 0 HA LEU A 94 -1.549 -5.264 -6.667 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -1.285 -5.306 -4.278 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -2.972 -5.706 -4.028 1.00 0.00 H new ATOM 0 HG LEU A 94 -2.607 -7.931 -5.019 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -0.313 -8.709 -5.468 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.781 -7.372 -6.546 1.00 0.00 H new ATOM 0 HD13 LEU A 94 0.298 -7.066 -5.165 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -1.241 -8.857 -3.187 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -0.666 -7.219 -2.794 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -2.387 -7.629 -2.600 1.00 0.00 H new ATOM 1367 N GLN A 95 -3.082 -6.694 -7.960 1.00 0.00 N ATOM 1368 CA GLN A 95 -3.942 -7.580 -8.736 1.00 0.00 C ATOM 1369 C GLN A 95 -3.470 -9.026 -8.632 1.00 0.00 C ATOM 1370 O GLN A 95 -2.289 -9.320 -8.820 1.00 0.00 O ATOM 1371 CB GLN A 95 -3.969 -7.144 -10.202 1.00 0.00 C ATOM 1372 CG GLN A 95 -4.725 -5.846 -10.437 1.00 0.00 C ATOM 1373 CD GLN A 95 -4.905 -5.534 -11.909 1.00 0.00 C ATOM 1374 OE1 GLN A 95 -5.594 -6.256 -12.630 1.00 0.00 O ATOM 1375 NE2 GLN A 95 -4.283 -4.453 -12.365 1.00 0.00 N ATOM 0 H GLN A 95 -2.191 -6.474 -8.406 1.00 0.00 H new ATOM 0 HA GLN A 95 -4.950 -7.516 -8.327 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -2.945 -7.028 -10.557 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -4.425 -7.934 -10.799 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -5.703 -5.908 -9.960 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -4.189 -5.026 -9.959 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -3.722 -3.883 -11.732 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -4.366 -4.193 -13.348 1.00 0.00 H new ATOM 1384 N VAL A 96 -4.400 -9.927 -8.330 1.00 0.00 N ATOM 1385 CA VAL A 96 -4.079 -11.343 -8.201 1.00 0.00 C ATOM 1386 C VAL A 96 -4.704 -12.153 -9.332 1.00 0.00 C ATOM 1387 O VAL A 96 -5.858 -11.938 -9.699 1.00 0.00 O ATOM 1388 CB VAL A 96 -4.563 -11.908 -6.852 1.00 0.00 C ATOM 1389 CG1 VAL A 96 -4.214 -13.384 -6.735 1.00 0.00 C ATOM 1390 CG2 VAL A 96 -3.964 -11.117 -5.699 1.00 0.00 C ATOM 0 H VAL A 96 -5.382 -9.701 -8.170 1.00 0.00 H new ATOM 0 HA VAL A 96 -2.994 -11.428 -8.253 1.00 0.00 H new ATOM 0 HB VAL A 96 -5.648 -11.811 -6.805 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -4.564 -13.766 -5.776 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -4.695 -13.937 -7.542 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -3.133 -13.509 -6.803 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -4.316 -11.529 -4.753 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -2.877 -11.181 -5.740 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -4.269 -10.074 -5.776 1.00 0.00 H new ATOM 1400 N ALA A 97 -3.932 -13.086 -9.880 1.00 0.00 N ATOM 1401 CA ALA A 97 -4.411 -13.931 -10.967 1.00 0.00 C ATOM 1402 C ALA A 97 -5.331 -15.028 -10.446 1.00 0.00 C ATOM 1403 O ALA A 97 -5.461 -15.222 -9.238 1.00 0.00 O ATOM 1404 CB ALA A 97 -3.236 -14.538 -11.720 1.00 0.00 C ATOM 0 H ALA A 97 -2.973 -13.276 -9.589 1.00 0.00 H new ATOM 0 HA ALA A 97 -4.985 -13.308 -11.652 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -3.608 -15.167 -12.529 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -2.619 -13.741 -12.134 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -2.639 -15.142 -11.037 1.00 0.00 H new ATOM 1410 N GLY A 98 -5.971 -15.745 -11.365 1.00 0.00 N ATOM 1411 CA GLY A 98 -6.873 -16.814 -10.978 1.00 0.00 C ATOM 1412 C GLY A 98 -6.400 -17.551 -9.741 1.00 0.00 C ATOM 1413 O GLY A 98 -5.304 -18.111 -9.725 1.00 0.00 O ATOM 0 H GLY A 98 -5.881 -15.604 -12.371 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -7.864 -16.400 -10.794 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -6.970 -17.520 -11.803 1.00 0.00 H new ATOM 1417 N GLN A 99 -7.228 -17.550 -8.701 1.00 0.00 N ATOM 1418 CA GLN A 99 -6.887 -18.222 -7.453 1.00 0.00 C ATOM 1419 C GLN A 99 -6.510 -19.678 -7.704 1.00 0.00 C ATOM 1420 O GLN A 99 -7.154 -20.369 -8.495 1.00 0.00 O ATOM 1421 CB GLN A 99 -8.059 -18.148 -6.472 1.00 0.00 C ATOM 1422 CG GLN A 99 -7.807 -18.885 -5.167 1.00 0.00 C ATOM 1423 CD GLN A 99 -8.900 -18.648 -4.143 1.00 0.00 C ATOM 1424 OE1 GLN A 99 -10.085 -18.812 -4.434 1.00 0.00 O ATOM 1425 NE2 GLN A 99 -8.506 -18.261 -2.936 1.00 0.00 N ATOM 0 H GLN A 99 -8.139 -17.092 -8.698 1.00 0.00 H new ATOM 0 HA GLN A 99 -6.027 -17.713 -7.019 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -8.273 -17.102 -6.253 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -8.947 -18.563 -6.948 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -7.727 -19.954 -5.367 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -6.851 -18.566 -4.753 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -7.513 -18.138 -2.739 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -9.196 -18.087 -2.206 1.00 0.00 H new ATOM 1434 N CYS A 100 -5.464 -20.138 -7.027 1.00 0.00 N ATOM 1435 CA CYS A 100 -5.000 -21.513 -7.178 1.00 0.00 C ATOM 1436 C CYS A 100 -5.513 -22.388 -6.038 1.00 0.00 C ATOM 1437 O CYS A 100 -5.851 -21.891 -4.964 1.00 0.00 O ATOM 1438 CB CYS A 100 -3.472 -21.556 -7.223 1.00 0.00 C ATOM 1439 SG CYS A 100 -2.764 -21.007 -8.793 1.00 0.00 S ATOM 0 H CYS A 100 -4.921 -19.580 -6.368 1.00 0.00 H new ATOM 0 HA CYS A 100 -5.394 -21.903 -8.117 1.00 0.00 H new ATOM 0 HB2 CYS A 100 -3.078 -20.932 -6.421 1.00 0.00 H new ATOM 0 HB3 CYS A 100 -3.142 -22.576 -7.025 1.00 0.00 H new ATOM 0 HG CYS A 100 -1.467 -21.077 -8.732 1.00 0.00 H new ATOM 1445 N PHE A 101 -5.569 -23.693 -6.281 1.00 0.00 N ATOM 1446 CA PHE A 101 -6.043 -24.638 -5.276 1.00 0.00 C ATOM 1447 C PHE A 101 -4.911 -25.548 -4.808 1.00 0.00 C ATOM 1448 O PHE A 101 -4.169 -26.102 -5.619 1.00 0.00 O ATOM 1449 CB PHE A 101 -7.191 -25.479 -5.837 1.00 0.00 C ATOM 1450 CG PHE A 101 -7.583 -26.625 -4.949 1.00 0.00 C ATOM 1451 CD1 PHE A 101 -8.036 -26.397 -3.660 1.00 0.00 C ATOM 1452 CD2 PHE A 101 -7.500 -27.931 -5.404 1.00 0.00 C ATOM 1453 CE1 PHE A 101 -8.398 -27.449 -2.840 1.00 0.00 C ATOM 1454 CE2 PHE A 101 -7.861 -28.988 -4.590 1.00 0.00 C ATOM 1455 CZ PHE A 101 -8.310 -28.747 -3.306 1.00 0.00 C ATOM 0 H PHE A 101 -5.292 -24.121 -7.165 1.00 0.00 H new ATOM 0 HA PHE A 101 -6.405 -24.068 -4.420 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -8.058 -24.838 -5.993 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -6.902 -25.868 -6.813 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -8.107 -25.384 -3.291 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -7.149 -28.125 -6.407 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -8.749 -27.257 -1.837 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -7.792 -30.001 -4.957 1.00 0.00 H new ATOM 0 HZ PHE A 101 -8.592 -29.571 -2.668 1.00 0.00 H new ATOM 1465 N GLY A 102 -4.784 -25.698 -3.493 1.00 0.00 N ATOM 1466 CA GLY A 102 -3.741 -26.542 -2.940 1.00 0.00 C ATOM 1467 C GLY A 102 -2.570 -25.740 -2.405 1.00 0.00 C ATOM 1468 O GLY A 102 -2.679 -25.087 -1.367 1.00 0.00 O ATOM 0 H GLY A 102 -5.385 -25.250 -2.801 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -4.158 -27.151 -2.138 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -3.387 -27.228 -3.709 1.00 0.00 H new TER 1472 GLY A 102