USER MOD reduce.3.24.130724 H: found=0, std=0, add=721, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 719 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 70 ASN : amide:sc= -5.49! C(o=-6.3!,f=-7.9!) USER MOD Set 1.2: A 82 TYR OH : rot 158:sc= -0.813 USER MOD Single : A 1 MET CE :methyl 168:sc= 0 (180deg=-0.116) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 GLN : amide:sc= -0.0384 X(o=-0.038,f=-0.34) USER MOD Single : A 4 ASN : amide:sc= -0.118 K(o=-0.12,f=-0.8!) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 89:sc= 1.26 USER MOD Single : A 23 SER OG : rot 180:sc=-0.00333 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 42:sc= 0.00297 USER MOD Single : A 58 SER OG : rot 83:sc= 0.296 USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.185 USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.0415 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 37:sc= 0.177 USER MOD Single : A 73 GLN : amide:sc= -1.05 K(o=-1.1,f=-4.6!) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.871 USER MOD Single : A 77 ASN : amide:sc=-0.00196 X(o=-0.002,f=0) USER MOD Single : A 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= -0.0792 X(o=-0.079,f=-0.25) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.909 -7.555 -1.314 1.00 3.22 N ATOM 2 CA MET A 1 -0.444 -7.014 -1.379 1.00 64.21 C ATOM 3 C MET A 1 -0.775 -6.547 -2.793 1.00 24.10 C ATOM 4 O MET A 1 -1.554 -7.185 -3.501 1.00 65.11 O ATOM 5 CB MET A 1 -0.600 -5.852 -0.396 1.00 25.40 C ATOM 6 CG MET A 1 -0.871 -6.297 1.032 1.00 21.11 C ATOM 7 SD MET A 1 -1.276 -4.920 2.123 1.00 11.01 S ATOM 8 CE MET A 1 -2.962 -4.578 1.625 1.00 72.12 C ATOM 0 H1 MET A 1 1.112 -7.866 -0.343 1.00 3.22 H new ATOM 0 H2 MET A 1 0.991 -8.365 -1.961 1.00 3.22 H new ATOM 0 H3 MET A 1 1.590 -6.820 -1.592 1.00 3.22 H new ATOM 0 HA MET A 1 -1.139 -7.808 -1.105 1.00 64.21 H new ATOM 0 HB2 MET A 1 0.307 -5.248 -0.414 1.00 25.40 H new ATOM 0 HB3 MET A 1 -1.417 -5.212 -0.730 1.00 25.40 H new ATOM 0 HG2 MET A 1 -1.693 -7.012 1.036 1.00 21.11 H new ATOM 0 HG3 MET A 1 0.005 -6.817 1.419 1.00 21.11 H new ATOM 0 HE1 MET A 1 -3.424 -3.901 2.344 1.00 72.12 H new ATOM 0 HE2 MET A 1 -2.963 -4.115 0.638 1.00 72.12 H new ATOM 0 HE3 MET A 1 -3.527 -5.510 1.589 1.00 72.12 H new ATOM 18 N SER A 2 -0.178 -5.430 -3.197 1.00 74.13 N ATOM 19 CA SER A 2 -0.414 -4.876 -4.525 1.00 45.43 C ATOM 20 C SER A 2 0.544 -3.723 -4.810 1.00 1.50 C ATOM 21 O SER A 2 0.573 -2.732 -4.080 1.00 62.21 O ATOM 22 CB SER A 2 -1.860 -4.395 -4.651 1.00 54.15 C ATOM 23 OG SER A 2 -2.410 -4.757 -5.906 1.00 55.33 O ATOM 0 H SER A 2 0.472 -4.892 -2.624 1.00 74.13 H new ATOM 0 HA SER A 2 -0.236 -5.664 -5.257 1.00 45.43 H new ATOM 0 HB2 SER A 2 -2.461 -4.825 -3.849 1.00 54.15 H new ATOM 0 HB3 SER A 2 -1.898 -3.312 -4.532 1.00 54.15 H new ATOM 0 HG SER A 2 -3.336 -4.440 -5.961 1.00 55.33 H new ATOM 29 N GLN A 3 1.326 -3.860 -5.876 1.00 73.31 N ATOM 30 CA GLN A 3 2.285 -2.831 -6.257 1.00 43.33 C ATOM 31 C GLN A 3 1.591 -1.677 -6.973 1.00 75.35 C ATOM 32 O GLN A 3 1.457 -1.684 -8.196 1.00 42.34 O ATOM 33 CB GLN A 3 3.372 -3.424 -7.156 1.00 32.12 C ATOM 34 CG GLN A 3 4.291 -4.398 -6.437 1.00 3.24 C ATOM 35 CD GLN A 3 4.351 -5.753 -7.114 1.00 13.14 C ATOM 36 OE1 GLN A 3 4.361 -5.846 -8.341 1.00 63.44 O ATOM 37 NE2 GLN A 3 4.390 -6.813 -6.315 1.00 11.13 N ATOM 0 H GLN A 3 1.314 -4.674 -6.491 1.00 73.31 H new ATOM 0 HA GLN A 3 2.746 -2.446 -5.347 1.00 43.33 H new ATOM 0 HB2 GLN A 3 2.899 -3.935 -7.995 1.00 32.12 H new ATOM 0 HB3 GLN A 3 3.970 -2.613 -7.572 1.00 32.12 H new ATOM 0 HG2 GLN A 3 5.295 -3.976 -6.388 1.00 3.24 H new ATOM 0 HG3 GLN A 3 3.948 -4.524 -5.410 1.00 3.24 H new ATOM 0 HE21 GLN A 3 4.380 -6.689 -5.303 1.00 11.13 H new ATOM 0 HE22 GLN A 3 4.430 -7.751 -6.714 1.00 11.13 H new ATOM 46 N ASN A 4 1.149 -0.689 -6.203 1.00 3.43 N ATOM 47 CA ASN A 4 0.467 0.472 -6.764 1.00 31.22 C ATOM 48 C ASN A 4 1.292 1.739 -6.561 1.00 21.11 C ATOM 49 O ASN A 4 1.854 1.960 -5.489 1.00 22.42 O ATOM 50 CB ASN A 4 -0.911 0.639 -6.121 1.00 55.12 C ATOM 51 CG ASN A 4 -0.890 0.372 -4.629 1.00 3.45 C ATOM 52 OD1 ASN A 4 0.082 0.692 -3.944 1.00 24.42 O ATOM 53 ND2 ASN A 4 -1.965 -0.216 -4.117 1.00 43.00 N ATOM 0 H ASN A 4 1.251 -0.669 -5.188 1.00 3.43 H new ATOM 0 HA ASN A 4 0.344 0.308 -7.835 1.00 31.22 H new ATOM 0 HB2 ASN A 4 -1.272 1.652 -6.301 1.00 55.12 H new ATOM 0 HB3 ASN A 4 -1.616 -0.041 -6.599 1.00 55.12 H new ATOM 0 HD21 ASN A 4 -2.008 -0.420 -3.118 1.00 43.00 H new ATOM 0 HD22 ASN A 4 -2.748 -0.464 -4.722 1.00 43.00 H new ATOM 60 N GLU A 5 1.359 2.568 -7.598 1.00 70.43 N ATOM 61 CA GLU A 5 2.116 3.812 -7.533 1.00 53.42 C ATOM 62 C GLU A 5 1.368 4.941 -8.238 1.00 22.13 C ATOM 63 O GLU A 5 1.104 5.987 -7.646 1.00 52.25 O ATOM 64 CB GLU A 5 3.497 3.629 -8.165 1.00 23.14 C ATOM 65 CG GLU A 5 4.574 4.498 -7.536 1.00 71.24 C ATOM 66 CD GLU A 5 5.912 4.366 -8.237 1.00 42.31 C ATOM 67 OE1 GLU A 5 5.930 4.373 -9.486 1.00 5.31 O ATOM 68 OE2 GLU A 5 6.941 4.256 -7.537 1.00 55.35 O ATOM 0 H GLU A 5 0.898 2.400 -8.493 1.00 70.43 H new ATOM 0 HA GLU A 5 2.238 4.079 -6.483 1.00 53.42 H new ATOM 0 HB2 GLU A 5 3.791 2.583 -8.080 1.00 23.14 H new ATOM 0 HB3 GLU A 5 3.434 3.857 -9.229 1.00 23.14 H new ATOM 0 HG2 GLU A 5 4.256 5.540 -7.562 1.00 71.24 H new ATOM 0 HG3 GLU A 5 4.689 4.225 -6.487 1.00 71.24 H new ATOM 75 N GLU A 6 1.032 4.720 -9.505 1.00 34.55 N ATOM 76 CA GLU A 6 0.316 5.718 -10.290 1.00 1.31 C ATOM 77 C GLU A 6 -0.692 5.056 -11.224 1.00 34.30 C ATOM 78 O GLU A 6 -0.317 4.353 -12.162 1.00 30.12 O ATOM 79 CB GLU A 6 1.301 6.563 -11.101 1.00 70.22 C ATOM 80 CG GLU A 6 2.224 5.740 -11.984 1.00 42.44 C ATOM 81 CD GLU A 6 3.427 6.529 -12.465 1.00 21.24 C ATOM 82 OE1 GLU A 6 4.361 5.908 -13.015 1.00 2.43 O ATOM 83 OE2 GLU A 6 3.435 7.765 -12.290 1.00 50.25 O ATOM 0 H GLU A 6 1.244 3.859 -10.009 1.00 34.55 H new ATOM 0 HA GLU A 6 -0.226 6.365 -9.600 1.00 1.31 H new ATOM 0 HB2 GLU A 6 0.741 7.260 -11.725 1.00 70.22 H new ATOM 0 HB3 GLU A 6 1.904 7.160 -10.417 1.00 70.22 H new ATOM 0 HG2 GLU A 6 2.565 4.865 -11.431 1.00 42.44 H new ATOM 0 HG3 GLU A 6 1.666 5.374 -12.846 1.00 42.44 H new ATOM 90 N ALA A 7 -1.974 5.285 -10.960 1.00 14.15 N ATOM 91 CA ALA A 7 -3.037 4.712 -11.776 1.00 52.33 C ATOM 92 C ALA A 7 -3.023 5.297 -13.185 1.00 11.25 C ATOM 93 O ALA A 7 -2.458 6.362 -13.435 1.00 14.22 O ATOM 94 CB ALA A 7 -4.390 4.944 -11.120 1.00 53.10 C ATOM 0 H ALA A 7 -2.302 5.864 -10.187 1.00 14.15 H new ATOM 0 HA ALA A 7 -2.863 3.639 -11.854 1.00 52.33 H new ATOM 0 HB1 ALA A 7 -5.174 4.511 -11.741 1.00 53.10 H new ATOM 0 HB2 ALA A 7 -4.403 4.473 -10.137 1.00 53.10 H new ATOM 0 HB3 ALA A 7 -4.563 6.015 -11.012 1.00 53.10 H new ATOM 100 N PRO A 8 -3.658 4.586 -14.128 1.00 21.21 N ATOM 101 CA PRO A 8 -3.732 5.015 -15.527 1.00 51.55 C ATOM 102 C PRO A 8 -4.623 6.239 -15.712 1.00 11.12 C ATOM 103 O PRO A 8 -4.315 7.129 -16.504 1.00 74.01 O ATOM 104 CB PRO A 8 -4.336 3.802 -16.239 1.00 43.35 C ATOM 105 CG PRO A 8 -5.106 3.088 -15.183 1.00 73.05 C ATOM 106 CD PRO A 8 -4.353 3.307 -13.901 1.00 3.51 C ATOM 0 HA PRO A 8 -2.757 5.312 -15.914 1.00 51.55 H new ATOM 0 HB2 PRO A 8 -4.982 4.107 -17.062 1.00 43.35 H new ATOM 0 HB3 PRO A 8 -3.560 3.164 -16.663 1.00 43.35 H new ATOM 0 HG2 PRO A 8 -6.122 3.477 -15.110 1.00 73.05 H new ATOM 0 HG3 PRO A 8 -5.187 2.025 -15.411 1.00 73.05 H new ATOM 0 HD2 PRO A 8 -5.025 3.361 -13.044 1.00 3.51 H new ATOM 0 HD3 PRO A 8 -3.650 2.497 -13.704 1.00 3.51 H new ATOM 114 N ALA A 9 -5.728 6.277 -14.975 1.00 33.04 N ATOM 115 CA ALA A 9 -6.663 7.393 -15.055 1.00 65.03 C ATOM 116 C ALA A 9 -7.205 7.553 -16.471 1.00 54.13 C ATOM 117 O ALA A 9 -7.444 8.670 -16.932 1.00 63.52 O ATOM 118 CB ALA A 9 -5.990 8.679 -14.597 1.00 62.44 C ATOM 0 H ALA A 9 -5.998 5.547 -14.315 1.00 33.04 H new ATOM 0 HA ALA A 9 -7.503 7.180 -14.394 1.00 65.03 H new ATOM 0 HB1 ALA A 9 -6.699 9.504 -14.662 1.00 62.44 H new ATOM 0 HB2 ALA A 9 -5.656 8.568 -13.565 1.00 62.44 H new ATOM 0 HB3 ALA A 9 -5.131 8.888 -15.235 1.00 62.44 H new ATOM 124 N ARG A 10 -7.398 6.431 -17.157 1.00 30.14 N ATOM 125 CA ARG A 10 -7.911 6.448 -18.521 1.00 70.52 C ATOM 126 C ARG A 10 -9.252 5.724 -18.607 1.00 2.12 C ATOM 127 O ARG A 10 -10.094 6.053 -19.443 1.00 25.33 O ATOM 128 CB ARG A 10 -6.907 5.797 -19.474 1.00 43.03 C ATOM 129 CG ARG A 10 -6.702 4.312 -19.223 1.00 13.01 C ATOM 130 CD ARG A 10 -5.369 3.832 -19.774 1.00 42.03 C ATOM 131 NE ARG A 10 -5.401 3.677 -21.226 1.00 61.31 N ATOM 132 CZ ARG A 10 -6.063 2.707 -21.847 1.00 71.10 C ATOM 133 NH1 ARG A 10 -6.745 1.811 -21.146 1.00 41.44 N ATOM 134 NH2 ARG A 10 -6.044 2.632 -23.172 1.00 35.03 N ATOM 0 H ARG A 10 -7.207 5.499 -16.790 1.00 30.14 H new ATOM 0 HA ARG A 10 -8.059 7.488 -18.814 1.00 70.52 H new ATOM 0 HB2 ARG A 10 -7.248 5.940 -20.500 1.00 43.03 H new ATOM 0 HB3 ARG A 10 -5.948 6.308 -19.382 1.00 43.03 H new ATOM 0 HG2 ARG A 10 -6.747 4.113 -18.152 1.00 13.01 H new ATOM 0 HG3 ARG A 10 -7.512 3.749 -19.686 1.00 13.01 H new ATOM 0 HD2 ARG A 10 -4.588 4.542 -19.502 1.00 42.03 H new ATOM 0 HD3 ARG A 10 -5.108 2.879 -19.313 1.00 42.03 H new ATOM 0 HE ARG A 10 -4.887 4.350 -21.794 1.00 61.31 H new ATOM 0 HH11 ARG A 10 -6.762 1.866 -20.128 1.00 41.44 H new ATOM 0 HH12 ARG A 10 -7.252 1.067 -21.625 1.00 41.44 H new ATOM 0 HH21 ARG A 10 -5.521 3.319 -23.714 1.00 35.03 H new ATOM 0 HH22 ARG A 10 -6.553 1.887 -23.648 1.00 35.03 H new ATOM 148 N SER A 11 -9.443 4.737 -17.737 1.00 4.41 N ATOM 149 CA SER A 11 -10.679 3.964 -17.717 1.00 1.31 C ATOM 150 C SER A 11 -11.453 4.211 -16.426 1.00 12.33 C ATOM 151 O SER A 11 -10.877 4.585 -15.405 1.00 51.20 O ATOM 152 CB SER A 11 -10.375 2.472 -17.865 1.00 42.31 C ATOM 153 OG SER A 11 -10.550 2.047 -19.205 1.00 73.24 O ATOM 0 H SER A 11 -8.757 4.454 -17.037 1.00 4.41 H new ATOM 0 HA SER A 11 -11.294 4.287 -18.557 1.00 1.31 H new ATOM 0 HB2 SER A 11 -9.351 2.273 -17.548 1.00 42.31 H new ATOM 0 HB3 SER A 11 -11.029 1.897 -17.209 1.00 42.31 H new ATOM 0 HG SER A 11 -10.348 1.091 -19.274 1.00 73.24 H new ATOM 159 N GLY A 12 -12.765 3.999 -16.479 1.00 63.15 N ATOM 160 CA GLY A 12 -13.598 4.203 -15.309 1.00 1.21 C ATOM 161 C GLY A 12 -14.174 5.604 -15.245 1.00 32.32 C ATOM 162 O GLY A 12 -14.949 6.004 -16.112 1.00 74.13 O ATOM 0 H GLY A 12 -13.265 3.689 -17.312 1.00 63.15 H new ATOM 0 HA2 GLY A 12 -14.412 3.479 -15.316 1.00 1.21 H new ATOM 0 HA3 GLY A 12 -13.010 4.014 -14.411 1.00 1.21 H new ATOM 166 N GLY A 13 -13.796 6.351 -14.212 1.00 42.33 N ATOM 167 CA GLY A 13 -14.291 7.706 -14.056 1.00 54.34 C ATOM 168 C GLY A 13 -13.179 8.706 -13.811 1.00 43.04 C ATOM 169 O GLY A 13 -12.004 8.340 -13.764 1.00 10.20 O ATOM 0 H GLY A 13 -13.156 6.042 -13.481 1.00 42.33 H new ATOM 0 HA2 GLY A 13 -14.843 7.993 -14.951 1.00 54.34 H new ATOM 0 HA3 GLY A 13 -14.994 7.739 -13.224 1.00 54.34 H new ATOM 173 N LYS A 14 -13.547 9.973 -13.657 1.00 14.13 N ATOM 174 CA LYS A 14 -12.572 11.030 -13.416 1.00 14.22 C ATOM 175 C LYS A 14 -13.137 12.086 -12.471 1.00 30.14 C ATOM 176 O LYS A 14 -14.289 12.500 -12.603 1.00 62.10 O ATOM 177 CB LYS A 14 -12.159 11.682 -14.737 1.00 53.12 C ATOM 178 CG LYS A 14 -10.907 11.078 -15.348 1.00 63.00 C ATOM 179 CD LYS A 14 -10.143 12.097 -16.177 1.00 52.11 C ATOM 180 CE LYS A 14 -8.645 11.841 -16.133 1.00 45.30 C ATOM 181 NZ LYS A 14 -7.934 12.513 -17.256 1.00 60.23 N ATOM 0 H LYS A 14 -14.515 10.293 -13.695 1.00 14.13 H new ATOM 0 HA LYS A 14 -11.695 10.581 -12.949 1.00 14.22 H new ATOM 0 HB2 LYS A 14 -12.980 11.593 -15.449 1.00 53.12 H new ATOM 0 HB3 LYS A 14 -11.995 12.747 -14.571 1.00 53.12 H new ATOM 0 HG2 LYS A 14 -10.263 10.695 -14.556 1.00 63.00 H new ATOM 0 HG3 LYS A 14 -11.180 10.229 -15.975 1.00 63.00 H new ATOM 0 HD2 LYS A 14 -10.489 12.060 -17.210 1.00 52.11 H new ATOM 0 HD3 LYS A 14 -10.353 13.100 -15.806 1.00 52.11 H new ATOM 0 HE2 LYS A 14 -8.244 12.197 -15.184 1.00 45.30 H new ATOM 0 HE3 LYS A 14 -8.459 10.768 -16.175 1.00 45.30 H new ATOM 0 HZ1 LYS A 14 -6.915 12.314 -17.190 1.00 60.23 H new ATOM 0 HZ2 LYS A 14 -8.299 12.155 -18.162 1.00 60.23 H new ATOM 0 HZ3 LYS A 14 -8.091 13.540 -17.201 1.00 60.23 H new ATOM 195 N VAL A 15 -12.318 12.519 -11.517 1.00 71.12 N ATOM 196 CA VAL A 15 -12.735 13.529 -10.552 1.00 32.55 C ATOM 197 C VAL A 15 -11.624 14.542 -10.302 1.00 12.23 C ATOM 198 O VAL A 15 -10.441 14.199 -10.309 1.00 35.03 O ATOM 199 CB VAL A 15 -13.142 12.889 -9.211 1.00 33.31 C ATOM 200 CG1 VAL A 15 -13.585 13.956 -8.222 1.00 3.30 C ATOM 201 CG2 VAL A 15 -14.242 11.860 -9.424 1.00 70.55 C ATOM 0 H VAL A 15 -11.362 12.186 -11.392 1.00 71.12 H new ATOM 0 HA VAL A 15 -13.598 14.039 -10.980 1.00 32.55 H new ATOM 0 HB VAL A 15 -12.274 12.379 -8.794 1.00 33.31 H new ATOM 0 HG11 VAL A 15 -13.869 13.485 -7.281 1.00 3.30 H new ATOM 0 HG12 VAL A 15 -12.765 14.652 -8.046 1.00 3.30 H new ATOM 0 HG13 VAL A 15 -14.439 14.497 -8.629 1.00 3.30 H new ATOM 0 HG21 VAL A 15 -14.517 11.418 -8.466 1.00 70.55 H new ATOM 0 HG22 VAL A 15 -15.114 12.345 -9.864 1.00 70.55 H new ATOM 0 HG23 VAL A 15 -13.884 11.079 -10.095 1.00 70.55 H new ATOM 211 N THR A 16 -12.012 15.794 -10.080 1.00 42.52 N ATOM 212 CA THR A 16 -11.049 16.859 -9.829 1.00 12.45 C ATOM 213 C THR A 16 -11.166 17.380 -8.401 1.00 15.52 C ATOM 214 O THR A 16 -12.259 17.705 -7.936 1.00 12.14 O ATOM 215 CB THR A 16 -11.240 18.032 -10.808 1.00 51.44 C ATOM 216 OG1 THR A 16 -10.439 19.147 -10.401 1.00 22.15 O ATOM 217 CG2 THR A 16 -12.702 18.449 -10.875 1.00 4.50 C ATOM 0 H THR A 16 -12.986 16.095 -10.069 1.00 42.52 H new ATOM 0 HA THR A 16 -10.058 16.430 -9.977 1.00 12.45 H new ATOM 0 HB THR A 16 -10.926 17.703 -11.799 1.00 51.44 H new ATOM 0 HG1 THR A 16 -10.566 19.888 -11.030 1.00 22.15 H new ATOM 0 HG21 THR A 16 -12.812 19.279 -11.573 1.00 4.50 H new ATOM 0 HG22 THR A 16 -13.305 17.607 -11.215 1.00 4.50 H new ATOM 0 HG23 THR A 16 -13.037 18.760 -9.886 1.00 4.50 H new ATOM 225 N PHE A 17 -10.034 17.459 -7.710 1.00 32.14 N ATOM 226 CA PHE A 17 -10.010 17.941 -6.333 1.00 74.15 C ATOM 227 C PHE A 17 -8.845 18.900 -6.113 1.00 44.54 C ATOM 228 O PHE A 17 -7.706 18.604 -6.476 1.00 51.43 O ATOM 229 CB PHE A 17 -9.908 16.765 -5.360 1.00 70.54 C ATOM 230 CG PHE A 17 -11.172 15.960 -5.258 1.00 31.23 C ATOM 231 CD1 PHE A 17 -12.400 16.588 -5.127 1.00 72.35 C ATOM 232 CD2 PHE A 17 -11.132 14.575 -5.291 1.00 0.11 C ATOM 233 CE1 PHE A 17 -13.565 15.850 -5.033 1.00 54.21 C ATOM 234 CE2 PHE A 17 -12.294 13.832 -5.197 1.00 43.44 C ATOM 235 CZ PHE A 17 -13.512 14.471 -5.067 1.00 62.41 C ATOM 0 H PHE A 17 -9.121 17.196 -8.080 1.00 32.14 H new ATOM 0 HA PHE A 17 -10.940 18.478 -6.146 1.00 74.15 H new ATOM 0 HB2 PHE A 17 -9.095 16.111 -5.676 1.00 70.54 H new ATOM 0 HB3 PHE A 17 -9.647 17.143 -4.372 1.00 70.54 H new ATOM 0 HD1 PHE A 17 -12.448 17.667 -5.098 1.00 72.35 H new ATOM 0 HD2 PHE A 17 -10.182 14.071 -5.391 1.00 0.11 H new ATOM 0 HE1 PHE A 17 -14.516 16.352 -4.933 1.00 54.21 H new ATOM 0 HE2 PHE A 17 -12.250 12.753 -5.225 1.00 43.44 H new ATOM 0 HZ PHE A 17 -14.421 13.893 -4.992 1.00 62.41 H new ATOM 245 N ARG A 18 -9.138 20.051 -5.517 1.00 41.42 N ATOM 246 CA ARG A 18 -8.115 21.056 -5.250 1.00 75.21 C ATOM 247 C ARG A 18 -7.632 20.969 -3.805 1.00 60.45 C ATOM 248 O ARG A 18 -8.406 21.166 -2.869 1.00 13.04 O ATOM 249 CB ARG A 18 -8.661 22.457 -5.533 1.00 65.00 C ATOM 250 CG ARG A 18 -9.192 22.630 -6.947 1.00 25.14 C ATOM 251 CD ARG A 18 -10.660 23.024 -6.946 1.00 13.13 C ATOM 252 NE ARG A 18 -10.838 24.473 -6.889 1.00 72.52 N ATOM 253 CZ ARG A 18 -11.972 25.087 -7.208 1.00 71.41 C ATOM 254 NH1 ARG A 18 -13.023 24.382 -7.604 1.00 31.35 N ATOM 255 NH2 ARG A 18 -12.056 26.409 -7.131 1.00 75.41 N ATOM 0 H ARG A 18 -10.075 20.311 -5.210 1.00 41.42 H new ATOM 0 HA ARG A 18 -7.269 20.863 -5.910 1.00 75.21 H new ATOM 0 HB2 ARG A 18 -9.460 22.676 -4.825 1.00 65.00 H new ATOM 0 HB3 ARG A 18 -7.871 23.188 -5.359 1.00 65.00 H new ATOM 0 HG2 ARG A 18 -8.610 23.392 -7.465 1.00 25.14 H new ATOM 0 HG3 ARG A 18 -9.064 21.700 -7.501 1.00 25.14 H new ATOM 0 HD2 ARG A 18 -11.140 22.635 -7.844 1.00 13.13 H new ATOM 0 HD3 ARG A 18 -11.158 22.564 -6.093 1.00 13.13 H new ATOM 0 HE ARG A 18 -10.049 25.044 -6.588 1.00 72.52 H new ATOM 0 HH11 ARG A 18 -12.962 23.366 -7.664 1.00 31.35 H new ATOM 0 HH12 ARG A 18 -13.892 24.856 -7.848 1.00 31.35 H new ATOM 0 HH21 ARG A 18 -11.250 26.954 -6.827 1.00 75.41 H new ATOM 0 HH22 ARG A 18 -12.927 26.880 -7.376 1.00 75.41 H new ATOM 269 N ILE A 19 -6.348 20.671 -3.634 1.00 14.54 N ATOM 270 CA ILE A 19 -5.762 20.559 -2.304 1.00 33.22 C ATOM 271 C ILE A 19 -4.968 21.810 -1.945 1.00 54.41 C ATOM 272 O ILE A 19 -3.981 22.141 -2.603 1.00 12.13 O ATOM 273 CB ILE A 19 -4.839 19.331 -2.198 1.00 22.12 C ATOM 274 CG1 ILE A 19 -3.809 19.341 -3.329 1.00 70.34 C ATOM 275 CG2 ILE A 19 -5.657 18.049 -2.230 1.00 21.41 C ATOM 276 CD1 ILE A 19 -2.378 19.275 -2.844 1.00 43.35 C ATOM 0 H ILE A 19 -5.695 20.503 -4.399 1.00 14.54 H new ATOM 0 HA ILE A 19 -6.589 20.444 -1.604 1.00 33.22 H new ATOM 0 HB ILE A 19 -4.307 19.375 -1.248 1.00 22.12 H new ATOM 0 HG12 ILE A 19 -3.999 18.496 -3.990 1.00 70.34 H new ATOM 0 HG13 ILE A 19 -3.942 20.246 -3.922 1.00 70.34 H new ATOM 0 HG21 ILE A 19 -4.990 17.190 -2.154 1.00 21.41 H new ATOM 0 HG22 ILE A 19 -6.355 18.042 -1.393 1.00 21.41 H new ATOM 0 HG23 ILE A 19 -6.213 17.995 -3.166 1.00 21.41 H new ATOM 0 HD11 ILE A 19 -1.703 19.286 -3.700 1.00 43.35 H new ATOM 0 HD12 ILE A 19 -2.170 20.134 -2.207 1.00 43.35 H new ATOM 0 HD13 ILE A 19 -2.228 18.357 -2.276 1.00 43.35 H new ATOM 288 N ILE A 20 -5.405 22.501 -0.898 1.00 11.35 N ATOM 289 CA ILE A 20 -4.733 23.715 -0.450 1.00 34.25 C ATOM 290 C ILE A 20 -4.113 23.522 0.930 1.00 0.31 C ATOM 291 O ILE A 20 -4.728 22.940 1.824 1.00 34.30 O ATOM 292 CB ILE A 20 -5.703 24.910 -0.402 1.00 13.24 C ATOM 293 CG1 ILE A 20 -6.253 25.206 -1.799 1.00 24.52 C ATOM 294 CG2 ILE A 20 -5.006 26.136 0.169 1.00 24.21 C ATOM 295 CD1 ILE A 20 -7.445 24.353 -2.172 1.00 13.33 C ATOM 0 H ILE A 20 -6.221 22.241 -0.344 1.00 11.35 H new ATOM 0 HA ILE A 20 -3.946 23.926 -1.174 1.00 34.25 H new ATOM 0 HB ILE A 20 -6.538 24.654 0.250 1.00 13.24 H new ATOM 0 HG12 ILE A 20 -6.537 26.257 -1.854 1.00 24.52 H new ATOM 0 HG13 ILE A 20 -5.462 25.051 -2.533 1.00 24.52 H new ATOM 0 HG21 ILE A 20 -5.705 26.972 0.196 1.00 24.21 H new ATOM 0 HG22 ILE A 20 -4.659 25.920 1.179 1.00 24.21 H new ATOM 0 HG23 ILE A 20 -4.154 26.396 -0.459 1.00 24.21 H new ATOM 0 HD11 ILE A 20 -7.782 24.617 -3.174 1.00 13.33 H new ATOM 0 HD12 ILE A 20 -7.161 23.301 -2.150 1.00 13.33 H new ATOM 0 HD13 ILE A 20 -8.253 24.525 -1.461 1.00 13.33 H new ATOM 307 N LEU A 21 -2.891 24.017 1.097 1.00 35.05 N ATOM 308 CA LEU A 21 -2.187 23.902 2.370 1.00 70.42 C ATOM 309 C LEU A 21 -2.340 25.176 3.194 1.00 22.33 C ATOM 310 O LEU A 21 -2.400 26.278 2.649 1.00 42.31 O ATOM 311 CB LEU A 21 -0.705 23.611 2.130 1.00 64.52 C ATOM 312 CG LEU A 21 -0.115 22.438 2.915 1.00 11.41 C ATOM 313 CD1 LEU A 21 -0.328 22.635 4.408 1.00 4.40 C ATOM 314 CD2 LEU A 21 -0.731 21.125 2.456 1.00 70.04 C ATOM 0 H LEU A 21 -2.368 24.501 0.368 1.00 35.05 H new ATOM 0 HA LEU A 21 -2.628 23.076 2.928 1.00 70.42 H new ATOM 0 HB2 LEU A 21 -0.560 23.420 1.067 1.00 64.52 H new ATOM 0 HB3 LEU A 21 -0.135 24.508 2.373 1.00 64.52 H new ATOM 0 HG LEU A 21 0.957 22.400 2.723 1.00 11.41 H new ATOM 0 HD11 LEU A 21 0.098 21.791 4.951 1.00 4.40 H new ATOM 0 HD12 LEU A 21 0.161 23.556 4.727 1.00 4.40 H new ATOM 0 HD13 LEU A 21 -1.396 22.700 4.618 1.00 4.40 H new ATOM 0 HD21 LEU A 21 -0.299 20.302 3.025 1.00 70.04 H new ATOM 0 HD22 LEU A 21 -1.809 21.152 2.618 1.00 70.04 H new ATOM 0 HD23 LEU A 21 -0.527 20.979 1.395 1.00 70.04 H new ATOM 326 N THR A 22 -2.400 25.018 4.513 1.00 73.40 N ATOM 327 CA THR A 22 -2.545 26.155 5.413 1.00 22.42 C ATOM 328 C THR A 22 -1.287 27.016 5.417 1.00 54.32 C ATOM 329 O THR A 22 -1.290 28.133 5.934 1.00 14.31 O ATOM 330 CB THR A 22 -2.844 25.696 6.853 1.00 5.52 C ATOM 331 OG1 THR A 22 -3.934 24.768 6.856 1.00 51.52 O ATOM 332 CG2 THR A 22 -3.181 26.885 7.740 1.00 4.44 C ATOM 0 H THR A 22 -2.350 24.113 4.981 1.00 73.40 H new ATOM 0 HA THR A 22 -3.385 26.745 5.046 1.00 22.42 H new ATOM 0 HB THR A 22 -1.953 25.209 7.248 1.00 5.52 H new ATOM 0 HG1 THR A 22 -3.589 23.858 6.745 1.00 51.52 H new ATOM 0 HG21 THR A 22 -3.388 26.537 8.752 1.00 4.44 H new ATOM 0 HG22 THR A 22 -2.337 27.575 7.759 1.00 4.44 H new ATOM 0 HG23 THR A 22 -4.059 27.396 7.345 1.00 4.44 H new ATOM 340 N SER A 23 -0.214 26.491 4.836 1.00 63.32 N ATOM 341 CA SER A 23 1.052 27.211 4.775 1.00 45.51 C ATOM 342 C SER A 23 1.040 28.237 3.646 1.00 53.52 C ATOM 343 O SER A 23 1.875 29.140 3.604 1.00 0.13 O ATOM 344 CB SER A 23 2.212 26.233 4.577 1.00 73.11 C ATOM 345 OG SER A 23 3.240 26.813 3.793 1.00 23.43 O ATOM 0 H SER A 23 -0.196 25.569 4.400 1.00 63.32 H new ATOM 0 HA SER A 23 1.187 27.737 5.720 1.00 45.51 H new ATOM 0 HB2 SER A 23 2.613 25.938 5.547 1.00 73.11 H new ATOM 0 HB3 SER A 23 1.849 25.326 4.093 1.00 73.11 H new ATOM 0 HG SER A 23 3.970 26.169 3.682 1.00 23.43 H new ATOM 351 N GLU A 24 0.085 28.091 2.732 1.00 24.20 N ATOM 352 CA GLU A 24 -0.036 29.004 1.602 1.00 41.03 C ATOM 353 C GLU A 24 -1.502 29.272 1.274 1.00 41.04 C ATOM 354 O GLU A 24 -1.956 29.015 0.159 1.00 75.02 O ATOM 355 CB GLU A 24 0.676 28.430 0.375 1.00 71.10 C ATOM 356 CG GLU A 24 1.333 29.486 -0.497 1.00 42.32 C ATOM 357 CD GLU A 24 0.487 30.737 -0.637 1.00 74.53 C ATOM 358 OE1 GLU A 24 -0.492 30.706 -1.413 1.00 62.20 O ATOM 359 OE2 GLU A 24 0.802 31.745 0.028 1.00 50.01 O ATOM 0 H GLU A 24 -0.615 27.350 2.752 1.00 24.20 H new ATOM 0 HA GLU A 24 0.435 29.947 1.878 1.00 41.03 H new ATOM 0 HB2 GLU A 24 1.434 27.720 0.705 1.00 71.10 H new ATOM 0 HB3 GLU A 24 -0.044 27.872 -0.224 1.00 71.10 H new ATOM 0 HG2 GLU A 24 2.301 29.752 -0.072 1.00 42.32 H new ATOM 0 HG3 GLU A 24 1.523 29.068 -1.486 1.00 42.32 H new ATOM 366 N ARG A 25 -2.236 29.789 2.253 1.00 13.50 N ATOM 367 CA ARG A 25 -3.651 30.091 2.070 1.00 60.32 C ATOM 368 C ARG A 25 -3.844 31.170 1.009 1.00 0.40 C ATOM 369 O ARG A 25 -4.948 31.364 0.499 1.00 24.33 O ATOM 370 CB ARG A 25 -4.273 30.543 3.392 1.00 34.21 C ATOM 371 CG ARG A 25 -5.790 30.638 3.350 1.00 2.14 C ATOM 372 CD ARG A 25 -6.269 32.042 3.686 1.00 32.41 C ATOM 373 NE ARG A 25 -7.489 32.391 2.963 1.00 31.21 N ATOM 374 CZ ARG A 25 -8.681 31.876 3.241 1.00 34.44 C ATOM 375 NH1 ARG A 25 -8.813 30.993 4.222 1.00 13.11 N ATOM 376 NH2 ARG A 25 -9.745 32.243 2.538 1.00 0.44 N ATOM 0 H ARG A 25 -1.875 30.008 3.181 1.00 13.50 H new ATOM 0 HA ARG A 25 -4.150 29.182 1.734 1.00 60.32 H new ATOM 0 HB2 ARG A 25 -3.983 29.846 4.178 1.00 34.21 H new ATOM 0 HB3 ARG A 25 -3.864 31.516 3.662 1.00 34.21 H new ATOM 0 HG2 ARG A 25 -6.146 30.358 2.358 1.00 2.14 H new ATOM 0 HG3 ARG A 25 -6.220 29.927 4.055 1.00 2.14 H new ATOM 0 HD2 ARG A 25 -6.449 32.117 4.758 1.00 32.41 H new ATOM 0 HD3 ARG A 25 -5.486 32.760 3.443 1.00 32.41 H new ATOM 0 HE ARG A 25 -7.422 33.068 2.203 1.00 31.21 H new ATOM 0 HH11 ARG A 25 -7.998 30.708 4.765 1.00 13.11 H new ATOM 0 HH12 ARG A 25 -9.730 30.599 4.434 1.00 13.11 H new ATOM 0 HH21 ARG A 25 -9.648 32.922 1.783 1.00 0.44 H new ATOM 0 HH22 ARG A 25 -10.660 31.846 2.753 1.00 0.44 H new ATOM 390 N SER A 26 -2.763 31.871 0.682 1.00 10.50 N ATOM 391 CA SER A 26 -2.814 32.935 -0.315 1.00 31.34 C ATOM 392 C SER A 26 -3.321 32.402 -1.652 1.00 3.14 C ATOM 393 O SER A 26 -3.837 33.156 -2.476 1.00 31.02 O ATOM 394 CB SER A 26 -1.430 33.562 -0.494 1.00 31.51 C ATOM 395 OG SER A 26 -1.531 34.943 -0.794 1.00 22.14 O ATOM 0 H SER A 26 -1.841 31.722 1.093 1.00 10.50 H new ATOM 0 HA SER A 26 -3.507 33.698 0.039 1.00 31.34 H new ATOM 0 HB2 SER A 26 -0.845 33.426 0.416 1.00 31.51 H new ATOM 0 HB3 SER A 26 -0.896 33.051 -1.295 1.00 31.51 H new ATOM 0 HG SER A 26 -0.633 35.321 -0.902 1.00 22.14 H new ATOM 401 N GLN A 27 -3.168 31.098 -1.858 1.00 32.01 N ATOM 402 CA GLN A 27 -3.609 30.464 -3.095 1.00 13.12 C ATOM 403 C GLN A 27 -3.331 28.965 -3.067 1.00 62.15 C ATOM 404 O GLN A 27 -2.474 28.481 -2.327 1.00 13.30 O ATOM 405 CB GLN A 27 -2.912 31.103 -4.297 1.00 25.31 C ATOM 406 CG GLN A 27 -1.439 31.396 -4.061 1.00 23.25 C ATOM 407 CD GLN A 27 -0.742 31.921 -5.300 1.00 62.43 C ATOM 408 OE1 GLN A 27 -1.346 32.613 -6.120 1.00 60.21 O ATOM 409 NE2 GLN A 27 0.537 31.593 -5.444 1.00 41.31 N ATOM 0 H GLN A 27 -2.742 30.460 -1.185 1.00 32.01 H new ATOM 0 HA GLN A 27 -4.685 30.613 -3.187 1.00 13.12 H new ATOM 0 HB2 GLN A 27 -3.009 30.441 -5.157 1.00 25.31 H new ATOM 0 HB3 GLN A 27 -3.423 32.032 -4.551 1.00 25.31 H new ATOM 0 HG2 GLN A 27 -1.342 32.126 -3.258 1.00 23.25 H new ATOM 0 HG3 GLN A 27 -0.941 30.486 -3.727 1.00 23.25 H new ATOM 0 HE21 GLN A 27 0.998 31.017 -4.740 1.00 41.31 H new ATOM 0 HE22 GLN A 27 1.058 31.917 -6.259 1.00 41.31 H new ATOM 418 N PRO A 28 -4.071 28.210 -3.893 1.00 64.12 N ATOM 419 CA PRO A 28 -3.921 26.754 -3.982 1.00 51.42 C ATOM 420 C PRO A 28 -2.603 26.346 -4.631 1.00 31.40 C ATOM 421 O PRO A 28 -2.159 26.963 -5.599 1.00 65.31 O ATOM 422 CB PRO A 28 -5.103 26.329 -4.858 1.00 4.42 C ATOM 423 CG PRO A 28 -5.421 27.534 -5.675 1.00 30.31 C ATOM 424 CD PRO A 28 -5.110 28.719 -4.804 1.00 3.22 C ATOM 0 HA PRO A 28 -3.911 26.284 -2.999 1.00 51.42 H new ATOM 0 HB2 PRO A 28 -4.842 25.480 -5.490 1.00 4.42 H new ATOM 0 HB3 PRO A 28 -5.956 26.025 -4.252 1.00 4.42 H new ATOM 0 HG2 PRO A 28 -4.826 27.554 -6.588 1.00 30.31 H new ATOM 0 HG3 PRO A 28 -6.468 27.536 -5.977 1.00 30.31 H new ATOM 0 HD2 PRO A 28 -4.751 29.565 -5.390 1.00 3.22 H new ATOM 0 HD3 PRO A 28 -5.991 29.059 -4.259 1.00 3.22 H new ATOM 432 N PHE A 29 -1.982 25.302 -4.092 1.00 34.51 N ATOM 433 CA PHE A 29 -0.714 24.811 -4.618 1.00 72.45 C ATOM 434 C PHE A 29 -0.909 24.155 -5.983 1.00 20.15 C ATOM 435 O PHE A 29 -0.557 24.727 -7.014 1.00 51.31 O ATOM 436 CB PHE A 29 -0.086 23.811 -3.645 1.00 0.42 C ATOM 437 CG PHE A 29 0.747 24.459 -2.575 1.00 74.15 C ATOM 438 CD1 PHE A 29 2.040 24.877 -2.844 1.00 52.41 C ATOM 439 CD2 PHE A 29 0.236 24.649 -1.301 1.00 61.54 C ATOM 440 CE1 PHE A 29 2.809 25.474 -1.862 1.00 75.04 C ATOM 441 CE2 PHE A 29 1.000 25.245 -0.316 1.00 31.21 C ATOM 442 CZ PHE A 29 2.288 25.657 -0.596 1.00 60.14 C ATOM 0 H PHE A 29 -2.337 24.780 -3.291 1.00 34.51 H new ATOM 0 HA PHE A 29 -0.044 25.663 -4.735 1.00 72.45 H new ATOM 0 HB2 PHE A 29 -0.877 23.227 -3.175 1.00 0.42 H new ATOM 0 HB3 PHE A 29 0.535 23.112 -4.205 1.00 0.42 H new ATOM 0 HD1 PHE A 29 2.452 24.735 -3.832 1.00 52.41 H new ATOM 0 HD2 PHE A 29 -0.770 24.328 -1.076 1.00 61.54 H new ATOM 0 HE1 PHE A 29 3.815 25.797 -2.085 1.00 75.04 H new ATOM 0 HE2 PHE A 29 0.590 25.389 0.673 1.00 31.21 H new ATOM 0 HZ PHE A 29 2.887 26.121 0.174 1.00 60.14 H new ATOM 452 N ARG A 30 -1.471 22.951 -5.979 1.00 33.24 N ATOM 453 CA ARG A 30 -1.712 22.216 -7.215 1.00 24.24 C ATOM 454 C ARG A 30 -2.965 21.353 -7.099 1.00 41.13 C ATOM 455 O ARG A 30 -3.273 20.827 -6.030 1.00 23.51 O ATOM 456 CB ARG A 30 -0.505 21.339 -7.554 1.00 31.50 C ATOM 457 CG ARG A 30 -0.580 20.708 -8.935 1.00 45.52 C ATOM 458 CD ARG A 30 -0.674 21.765 -10.025 1.00 22.10 C ATOM 459 NE ARG A 30 -0.091 21.307 -11.283 1.00 61.22 N ATOM 460 CZ ARG A 30 1.215 21.159 -11.478 1.00 11.44 C ATOM 461 NH1 ARG A 30 2.069 21.432 -10.501 1.00 12.23 N ATOM 462 NH2 ARG A 30 1.669 20.738 -12.651 1.00 32.20 N ATOM 0 H ARG A 30 -1.768 22.464 -5.134 1.00 33.24 H new ATOM 0 HA ARG A 30 -1.864 22.940 -8.016 1.00 24.24 H new ATOM 0 HB2 ARG A 30 0.401 21.941 -7.488 1.00 31.50 H new ATOM 0 HB3 ARG A 30 -0.419 20.550 -6.807 1.00 31.50 H new ATOM 0 HG2 ARG A 30 0.301 20.089 -9.102 1.00 45.52 H new ATOM 0 HG3 ARG A 30 -1.447 20.050 -8.989 1.00 45.52 H new ATOM 0 HD2 ARG A 30 -1.719 22.029 -10.185 1.00 22.10 H new ATOM 0 HD3 ARG A 30 -0.163 22.670 -9.697 1.00 22.10 H new ATOM 0 HE ARG A 30 -0.721 21.089 -12.055 1.00 61.22 H new ATOM 0 HH11 ARG A 30 1.724 21.756 -9.598 1.00 12.23 H new ATOM 0 HH12 ARG A 30 3.071 21.318 -10.653 1.00 12.23 H new ATOM 0 HH21 ARG A 30 1.015 20.527 -13.405 1.00 32.20 H new ATOM 0 HH22 ARG A 30 2.672 20.625 -12.799 1.00 32.20 H new ATOM 476 N VAL A 31 -3.685 21.213 -8.208 1.00 10.41 N ATOM 477 CA VAL A 31 -4.904 20.415 -8.232 1.00 35.42 C ATOM 478 C VAL A 31 -4.615 18.982 -8.665 1.00 25.24 C ATOM 479 O VAL A 31 -3.850 18.748 -9.601 1.00 41.52 O ATOM 480 CB VAL A 31 -5.955 21.023 -9.179 1.00 74.24 C ATOM 481 CG1 VAL A 31 -5.402 21.130 -10.592 1.00 40.51 C ATOM 482 CG2 VAL A 31 -7.232 20.196 -9.160 1.00 30.13 C ATOM 0 H VAL A 31 -3.444 21.642 -9.101 1.00 10.41 H new ATOM 0 HA VAL A 31 -5.299 20.412 -7.216 1.00 35.42 H new ATOM 0 HB VAL A 31 -6.194 22.028 -8.830 1.00 74.24 H new ATOM 0 HG11 VAL A 31 -6.159 21.562 -11.247 1.00 40.51 H new ATOM 0 HG12 VAL A 31 -4.518 21.767 -10.589 1.00 40.51 H new ATOM 0 HG13 VAL A 31 -5.133 20.138 -10.953 1.00 40.51 H new ATOM 0 HG21 VAL A 31 -7.963 20.640 -9.835 1.00 30.13 H new ATOM 0 HG22 VAL A 31 -7.011 19.179 -9.483 1.00 30.13 H new ATOM 0 HG23 VAL A 31 -7.637 20.176 -8.148 1.00 30.13 H new ATOM 492 N ILE A 32 -5.230 18.026 -7.977 1.00 73.12 N ATOM 493 CA ILE A 32 -5.039 16.616 -8.292 1.00 34.41 C ATOM 494 C ILE A 32 -6.273 16.032 -8.972 1.00 14.14 C ATOM 495 O ILE A 32 -7.404 16.313 -8.575 1.00 54.01 O ATOM 496 CB ILE A 32 -4.727 15.794 -7.027 1.00 61.13 C ATOM 497 CG1 ILE A 32 -5.906 15.846 -6.054 1.00 55.32 C ATOM 498 CG2 ILE A 32 -3.460 16.309 -6.361 1.00 30.13 C ATOM 499 CD1 ILE A 32 -6.635 14.528 -5.916 1.00 23.32 C ATOM 0 H ILE A 32 -5.865 18.202 -7.198 1.00 73.12 H new ATOM 0 HA ILE A 32 -4.190 16.557 -8.973 1.00 34.41 H new ATOM 0 HB ILE A 32 -4.566 14.756 -7.317 1.00 61.13 H new ATOM 0 HG12 ILE A 32 -5.544 16.156 -5.074 1.00 55.32 H new ATOM 0 HG13 ILE A 32 -6.610 16.608 -6.389 1.00 55.32 H new ATOM 0 HG21 ILE A 32 -3.252 15.719 -5.469 1.00 30.13 H new ATOM 0 HG22 ILE A 32 -2.624 16.224 -7.055 1.00 30.13 H new ATOM 0 HG23 ILE A 32 -3.595 17.354 -6.081 1.00 30.13 H new ATOM 0 HD11 ILE A 32 -7.458 14.640 -5.211 1.00 23.32 H new ATOM 0 HD12 ILE A 32 -7.028 14.226 -6.887 1.00 23.32 H new ATOM 0 HD13 ILE A 32 -5.945 13.767 -5.551 1.00 23.32 H new ATOM 511 N SER A 33 -6.048 15.217 -9.997 1.00 23.32 N ATOM 512 CA SER A 33 -7.141 14.594 -10.734 1.00 13.34 C ATOM 513 C SER A 33 -7.003 13.075 -10.730 1.00 71.15 C ATOM 514 O SER A 33 -5.980 12.533 -11.150 1.00 2.13 O ATOM 515 CB SER A 33 -7.174 15.112 -12.173 1.00 32.30 C ATOM 516 OG SER A 33 -6.000 15.843 -12.479 1.00 3.32 O ATOM 0 H SER A 33 -5.118 14.972 -10.336 1.00 23.32 H new ATOM 0 HA SER A 33 -8.076 14.857 -10.240 1.00 13.34 H new ATOM 0 HB2 SER A 33 -7.274 14.274 -12.862 1.00 32.30 H new ATOM 0 HB3 SER A 33 -8.049 15.747 -12.314 1.00 32.30 H new ATOM 0 HG SER A 33 -6.045 16.162 -13.405 1.00 3.32 H new ATOM 522 N ILE A 34 -8.040 12.394 -10.255 1.00 20.23 N ATOM 523 CA ILE A 34 -8.035 10.937 -10.198 1.00 14.44 C ATOM 524 C ILE A 34 -9.449 10.378 -10.321 1.00 64.10 C ATOM 525 O ILE A 34 -10.429 11.082 -10.082 1.00 0.14 O ATOM 526 CB ILE A 34 -7.406 10.427 -8.888 1.00 10.33 C ATOM 527 CG1 ILE A 34 -8.054 11.114 -7.684 1.00 2.32 C ATOM 528 CG2 ILE A 34 -5.903 10.665 -8.895 1.00 33.53 C ATOM 529 CD1 ILE A 34 -7.858 10.366 -6.384 1.00 13.13 C ATOM 0 H ILE A 34 -8.894 12.827 -9.904 1.00 20.23 H new ATOM 0 HA ILE A 34 -7.435 10.590 -11.039 1.00 14.44 H new ATOM 0 HB ILE A 34 -7.584 9.355 -8.810 1.00 10.33 H new ATOM 0 HG12 ILE A 34 -7.640 12.117 -7.582 1.00 2.32 H new ATOM 0 HG13 ILE A 34 -9.122 11.227 -7.872 1.00 2.32 H new ATOM 0 HG21 ILE A 34 -5.472 10.299 -7.963 1.00 33.53 H new ATOM 0 HG22 ILE A 34 -5.454 10.134 -9.735 1.00 33.53 H new ATOM 0 HG23 ILE A 34 -5.704 11.732 -8.993 1.00 33.53 H new ATOM 0 HD11 ILE A 34 -8.343 10.911 -5.574 1.00 13.13 H new ATOM 0 HD12 ILE A 34 -8.297 9.372 -6.467 1.00 13.13 H new ATOM 0 HD13 ILE A 34 -6.792 10.276 -6.173 1.00 13.13 H new ATOM 541 N ALA A 35 -9.545 9.106 -10.695 1.00 11.24 N ATOM 542 CA ALA A 35 -10.838 8.450 -10.846 1.00 10.40 C ATOM 543 C ALA A 35 -11.655 8.544 -9.561 1.00 65.54 C ATOM 544 O ALA A 35 -11.100 8.564 -8.463 1.00 43.44 O ATOM 545 CB ALA A 35 -10.648 6.996 -11.249 1.00 30.54 C ATOM 0 H ALA A 35 -8.743 8.510 -10.899 1.00 11.24 H new ATOM 0 HA ALA A 35 -11.389 8.964 -11.633 1.00 10.40 H new ATOM 0 HB1 ALA A 35 -11.622 6.518 -11.358 1.00 30.54 H new ATOM 0 HB2 ALA A 35 -10.112 6.948 -12.197 1.00 30.54 H new ATOM 0 HB3 ALA A 35 -10.074 6.478 -10.481 1.00 30.54 H new ATOM 551 N GLU A 36 -12.975 8.600 -9.707 1.00 63.15 N ATOM 552 CA GLU A 36 -13.866 8.692 -8.557 1.00 55.55 C ATOM 553 C GLU A 36 -13.713 7.475 -7.650 1.00 43.04 C ATOM 554 O GLU A 36 -14.034 7.529 -6.464 1.00 24.43 O ATOM 555 CB GLU A 36 -15.320 8.817 -9.020 1.00 3.52 C ATOM 556 CG GLU A 36 -15.908 7.516 -9.538 1.00 63.20 C ATOM 557 CD GLU A 36 -17.055 7.738 -10.504 1.00 61.34 C ATOM 558 OE1 GLU A 36 -18.222 7.621 -10.075 1.00 51.54 O ATOM 559 OE2 GLU A 36 -16.786 8.027 -11.689 1.00 11.21 O ATOM 0 H GLU A 36 -13.450 8.583 -10.609 1.00 63.15 H new ATOM 0 HA GLU A 36 -13.594 9.582 -7.990 1.00 55.55 H new ATOM 0 HB2 GLU A 36 -15.928 9.175 -8.189 1.00 3.52 H new ATOM 0 HB3 GLU A 36 -15.379 9.571 -9.805 1.00 3.52 H new ATOM 0 HG2 GLU A 36 -15.126 6.941 -10.034 1.00 63.20 H new ATOM 0 HG3 GLU A 36 -16.258 6.919 -8.696 1.00 63.20 H new ATOM 566 N GLU A 37 -13.220 6.379 -8.219 1.00 73.11 N ATOM 567 CA GLU A 37 -13.026 5.148 -7.462 1.00 65.01 C ATOM 568 C GLU A 37 -11.545 4.786 -7.384 1.00 72.31 C ATOM 569 O GLU A 37 -11.183 3.705 -6.919 1.00 55.31 O ATOM 570 CB GLU A 37 -13.810 4.000 -8.102 1.00 3.23 C ATOM 571 CG GLU A 37 -14.998 3.540 -7.275 1.00 14.14 C ATOM 572 CD GLU A 37 -14.601 2.595 -6.157 1.00 61.04 C ATOM 573 OE1 GLU A 37 -14.984 1.408 -6.221 1.00 33.02 O ATOM 574 OE2 GLU A 37 -13.907 3.042 -5.220 1.00 72.32 O ATOM 0 H GLU A 37 -12.948 6.319 -9.200 1.00 73.11 H new ATOM 0 HA GLU A 37 -13.397 5.311 -6.450 1.00 65.01 H new ATOM 0 HB2 GLU A 37 -14.162 4.315 -9.084 1.00 3.23 H new ATOM 0 HB3 GLU A 37 -13.139 3.156 -8.259 1.00 3.23 H new ATOM 0 HG2 GLU A 37 -15.498 4.410 -6.850 1.00 14.14 H new ATOM 0 HG3 GLU A 37 -15.719 3.044 -7.926 1.00 14.14 H new ATOM 581 N ALA A 38 -10.694 5.697 -7.843 1.00 51.23 N ATOM 582 CA ALA A 38 -9.254 5.475 -7.825 1.00 4.35 C ATOM 583 C ALA A 38 -8.659 5.845 -6.470 1.00 43.21 C ATOM 584 O ALA A 38 -9.213 6.649 -5.720 1.00 51.12 O ATOM 585 CB ALA A 38 -8.582 6.272 -8.933 1.00 53.23 C ATOM 0 H ALA A 38 -10.977 6.596 -8.232 1.00 51.23 H new ATOM 0 HA ALA A 38 -9.073 4.414 -7.996 1.00 4.35 H new ATOM 0 HB1 ALA A 38 -7.507 6.096 -8.907 1.00 53.23 H new ATOM 0 HB2 ALA A 38 -8.978 5.958 -9.899 1.00 53.23 H new ATOM 0 HB3 ALA A 38 -8.779 7.334 -8.788 1.00 53.23 H new ATOM 591 N PRO A 39 -7.503 5.245 -6.147 1.00 14.54 N ATOM 592 CA PRO A 39 -6.808 5.497 -4.881 1.00 34.45 C ATOM 593 C PRO A 39 -6.212 6.899 -4.815 1.00 35.34 C ATOM 594 O PRO A 39 -5.663 7.398 -5.798 1.00 20.34 O ATOM 595 CB PRO A 39 -5.698 4.443 -4.870 1.00 74.31 C ATOM 596 CG PRO A 39 -5.455 4.134 -6.307 1.00 51.41 C ATOM 597 CD PRO A 39 -6.786 4.276 -6.992 1.00 52.42 C ATOM 0 HA PRO A 39 -7.482 5.435 -4.027 1.00 34.45 H new ATOM 0 HB2 PRO A 39 -4.797 4.822 -4.389 1.00 74.31 H new ATOM 0 HB3 PRO A 39 -6.003 3.553 -4.320 1.00 74.31 H new ATOM 0 HG2 PRO A 39 -4.721 4.817 -6.734 1.00 51.41 H new ATOM 0 HG3 PRO A 39 -5.060 3.125 -6.428 1.00 51.41 H new ATOM 0 HD2 PRO A 39 -6.675 4.639 -8.014 1.00 52.42 H new ATOM 0 HD3 PRO A 39 -7.313 3.324 -7.047 1.00 52.42 H new ATOM 605 N LEU A 40 -6.324 7.530 -3.651 1.00 21.41 N ATOM 606 CA LEU A 40 -5.795 8.875 -3.456 1.00 51.25 C ATOM 607 C LEU A 40 -4.272 8.880 -3.544 1.00 32.34 C ATOM 608 O LEU A 40 -3.652 9.930 -3.711 1.00 4.34 O ATOM 609 CB LEU A 40 -6.241 9.429 -2.102 1.00 54.13 C ATOM 610 CG LEU A 40 -5.486 10.659 -1.598 1.00 40.33 C ATOM 611 CD1 LEU A 40 -6.413 11.566 -0.804 1.00 3.42 C ATOM 612 CD2 LEU A 40 -4.291 10.242 -0.753 1.00 13.20 C ATOM 0 H LEU A 40 -6.776 7.132 -2.828 1.00 21.41 H new ATOM 0 HA LEU A 40 -6.188 9.511 -4.249 1.00 51.25 H new ATOM 0 HB2 LEU A 40 -7.300 9.678 -2.165 1.00 54.13 H new ATOM 0 HB3 LEU A 40 -6.144 8.638 -1.358 1.00 54.13 H new ATOM 0 HG LEU A 40 -5.119 11.215 -2.461 1.00 40.33 H new ATOM 0 HD11 LEU A 40 -5.858 12.436 -0.453 1.00 3.42 H new ATOM 0 HD12 LEU A 40 -7.236 11.892 -1.440 1.00 3.42 H new ATOM 0 HD13 LEU A 40 -6.811 11.020 0.052 1.00 3.42 H new ATOM 0 HD21 LEU A 40 -3.765 11.130 -0.403 1.00 13.20 H new ATOM 0 HD22 LEU A 40 -4.636 9.663 0.104 1.00 13.20 H new ATOM 0 HD23 LEU A 40 -3.615 9.634 -1.354 1.00 13.20 H new ATOM 624 N THR A 41 -3.675 7.697 -3.432 1.00 4.45 N ATOM 625 CA THR A 41 -2.225 7.564 -3.499 1.00 2.54 C ATOM 626 C THR A 41 -1.664 8.270 -4.728 1.00 12.31 C ATOM 627 O THR A 41 -0.540 8.771 -4.709 1.00 55.40 O ATOM 628 CB THR A 41 -1.797 6.085 -3.531 1.00 32.05 C ATOM 629 OG1 THR A 41 -2.414 5.373 -2.452 1.00 54.31 O ATOM 630 CG2 THR A 41 -0.285 5.957 -3.430 1.00 22.51 C ATOM 0 H THR A 41 -4.173 6.818 -3.295 1.00 4.45 H new ATOM 0 HA THR A 41 -1.823 8.031 -2.600 1.00 2.54 H new ATOM 0 HB THR A 41 -2.119 5.657 -4.480 1.00 32.05 H new ATOM 0 HG1 THR A 41 -2.138 4.433 -2.480 1.00 54.31 H new ATOM 0 HG21 THR A 41 -0.007 4.903 -3.455 1.00 22.51 H new ATOM 0 HG22 THR A 41 0.181 6.475 -4.268 1.00 22.51 H new ATOM 0 HG23 THR A 41 0.056 6.401 -2.495 1.00 22.51 H new ATOM 638 N ALA A 42 -2.455 8.307 -5.796 1.00 22.44 N ATOM 639 CA ALA A 42 -2.038 8.954 -7.033 1.00 61.12 C ATOM 640 C ALA A 42 -1.738 10.432 -6.806 1.00 35.21 C ATOM 641 O ALA A 42 -0.741 10.956 -7.300 1.00 61.25 O ATOM 642 CB ALA A 42 -3.108 8.789 -8.102 1.00 32.51 C ATOM 0 H ALA A 42 -3.388 7.896 -5.829 1.00 22.44 H new ATOM 0 HA ALA A 42 -1.122 8.472 -7.374 1.00 61.12 H new ATOM 0 HB1 ALA A 42 -2.783 9.277 -9.021 1.00 32.51 H new ATOM 0 HB2 ALA A 42 -3.271 7.728 -8.293 1.00 32.51 H new ATOM 0 HB3 ALA A 42 -4.038 9.243 -7.759 1.00 32.51 H new ATOM 648 N ALA A 43 -2.609 11.099 -6.055 1.00 73.53 N ATOM 649 CA ALA A 43 -2.437 12.516 -5.762 1.00 21.22 C ATOM 650 C ALA A 43 -1.363 12.730 -4.700 1.00 74.01 C ATOM 651 O ALA A 43 -0.707 13.772 -4.667 1.00 71.14 O ATOM 652 CB ALA A 43 -3.756 13.126 -5.312 1.00 31.12 C ATOM 0 H ALA A 43 -3.441 10.680 -5.639 1.00 73.53 H new ATOM 0 HA ALA A 43 -2.112 13.014 -6.676 1.00 21.22 H new ATOM 0 HB1 ALA A 43 -3.612 14.185 -5.097 1.00 31.12 H new ATOM 0 HB2 ALA A 43 -4.497 13.014 -6.103 1.00 31.12 H new ATOM 0 HB3 ALA A 43 -4.105 12.617 -4.413 1.00 31.12 H new ATOM 658 N LEU A 44 -1.190 11.739 -3.833 1.00 24.20 N ATOM 659 CA LEU A 44 -0.195 11.819 -2.768 1.00 73.05 C ATOM 660 C LEU A 44 1.169 12.212 -3.326 1.00 70.42 C ATOM 661 O LEU A 44 1.970 12.849 -2.642 1.00 51.45 O ATOM 662 CB LEU A 44 -0.094 10.480 -2.037 1.00 24.52 C ATOM 663 CG LEU A 44 0.787 10.463 -0.787 1.00 62.40 C ATOM 664 CD1 LEU A 44 -0.051 10.696 0.460 1.00 32.12 C ATOM 665 CD2 LEU A 44 1.543 9.146 -0.685 1.00 62.21 C ATOM 0 H LEU A 44 -1.725 10.871 -3.846 1.00 24.20 H new ATOM 0 HA LEU A 44 -0.513 12.587 -2.063 1.00 73.05 H new ATOM 0 HB2 LEU A 44 -1.099 10.167 -1.753 1.00 24.52 H new ATOM 0 HB3 LEU A 44 0.287 9.735 -2.736 1.00 24.52 H new ATOM 0 HG LEU A 44 1.514 11.271 -0.868 1.00 62.40 H new ATOM 0 HD11 LEU A 44 0.593 10.680 1.339 1.00 32.12 H new ATOM 0 HD12 LEU A 44 -0.546 11.665 0.390 1.00 32.12 H new ATOM 0 HD13 LEU A 44 -0.802 9.910 0.546 1.00 32.12 H new ATOM 0 HD21 LEU A 44 2.165 9.152 0.210 1.00 62.21 H new ATOM 0 HD22 LEU A 44 0.832 8.322 -0.628 1.00 62.21 H new ATOM 0 HD23 LEU A 44 2.175 9.020 -1.564 1.00 62.21 H new ATOM 677 N ARG A 45 1.426 11.828 -4.572 1.00 53.25 N ATOM 678 CA ARG A 45 2.693 12.141 -5.222 1.00 54.15 C ATOM 679 C ARG A 45 3.010 13.629 -5.107 1.00 51.22 C ATOM 680 O ARG A 45 4.068 14.012 -4.608 1.00 0.24 O ATOM 681 CB ARG A 45 2.650 11.731 -6.696 1.00 35.45 C ATOM 682 CG ARG A 45 3.823 10.864 -7.121 1.00 23.42 C ATOM 683 CD ARG A 45 3.717 10.460 -8.583 1.00 51.11 C ATOM 684 NE ARG A 45 4.866 10.914 -9.361 1.00 42.43 N ATOM 685 CZ ARG A 45 6.060 10.335 -9.315 1.00 65.31 C ATOM 686 NH1 ARG A 45 6.261 9.283 -8.533 1.00 11.45 N ATOM 687 NH2 ARG A 45 7.057 10.806 -10.053 1.00 42.32 N ATOM 0 H ARG A 45 0.774 11.300 -5.152 1.00 53.25 H new ATOM 0 HA ARG A 45 3.479 11.579 -4.718 1.00 54.15 H new ATOM 0 HB2 ARG A 45 1.722 11.192 -6.887 1.00 35.45 H new ATOM 0 HB3 ARG A 45 2.630 12.629 -7.314 1.00 35.45 H new ATOM 0 HG2 ARG A 45 4.755 11.406 -6.959 1.00 23.42 H new ATOM 0 HG3 ARG A 45 3.861 9.971 -6.498 1.00 23.42 H new ATOM 0 HD2 ARG A 45 3.637 9.375 -8.654 1.00 51.11 H new ATOM 0 HD3 ARG A 45 2.804 10.876 -9.009 1.00 51.11 H new ATOM 0 HE ARG A 45 4.745 11.720 -9.974 1.00 42.43 H new ATOM 0 HH11 ARG A 45 5.497 8.917 -7.965 1.00 11.45 H new ATOM 0 HH12 ARG A 45 7.179 8.840 -8.500 1.00 11.45 H new ATOM 0 HH21 ARG A 45 6.907 11.614 -10.657 1.00 42.32 H new ATOM 0 HH22 ARG A 45 7.974 10.360 -10.016 1.00 42.32 H new ATOM 701 N PHE A 46 2.087 14.464 -5.573 1.00 75.41 N ATOM 702 CA PHE A 46 2.268 15.910 -5.524 1.00 22.32 C ATOM 703 C PHE A 46 1.797 16.472 -4.186 1.00 22.44 C ATOM 704 O PHE A 46 2.355 17.444 -3.678 1.00 31.01 O ATOM 705 CB PHE A 46 1.505 16.580 -6.668 1.00 43.12 C ATOM 706 CG PHE A 46 2.318 16.732 -7.922 1.00 73.13 C ATOM 707 CD1 PHE A 46 3.097 17.859 -8.127 1.00 0.25 C ATOM 708 CD2 PHE A 46 2.302 15.748 -8.897 1.00 73.53 C ATOM 709 CE1 PHE A 46 3.846 18.002 -9.279 1.00 62.13 C ATOM 710 CE2 PHE A 46 3.049 15.885 -10.052 1.00 20.52 C ATOM 711 CZ PHE A 46 3.821 17.014 -10.244 1.00 22.44 C ATOM 0 H PHE A 46 1.206 14.164 -5.989 1.00 75.41 H new ATOM 0 HA PHE A 46 3.332 16.122 -5.633 1.00 22.32 H new ATOM 0 HB2 PHE A 46 0.613 15.995 -6.891 1.00 43.12 H new ATOM 0 HB3 PHE A 46 1.167 17.564 -6.342 1.00 43.12 H new ATOM 0 HD1 PHE A 46 3.119 18.636 -7.377 1.00 0.25 H new ATOM 0 HD2 PHE A 46 1.699 14.864 -8.753 1.00 73.53 H new ATOM 0 HE1 PHE A 46 4.450 18.885 -9.425 1.00 62.13 H new ATOM 0 HE2 PHE A 46 3.029 15.110 -10.804 1.00 20.52 H new ATOM 0 HZ PHE A 46 4.404 17.124 -11.147 1.00 22.44 H new ATOM 721 N ALA A 47 0.766 15.852 -3.620 1.00 41.25 N ATOM 722 CA ALA A 47 0.220 16.289 -2.341 1.00 64.33 C ATOM 723 C ALA A 47 1.287 16.264 -1.252 1.00 44.01 C ATOM 724 O ALA A 47 1.364 17.171 -0.424 1.00 52.33 O ATOM 725 CB ALA A 47 -0.961 15.415 -1.946 1.00 23.14 C ATOM 0 H ALA A 47 0.292 15.046 -4.027 1.00 41.25 H new ATOM 0 HA ALA A 47 -0.124 17.317 -2.452 1.00 64.33 H new ATOM 0 HB1 ALA A 47 -1.359 15.752 -0.989 1.00 23.14 H new ATOM 0 HB2 ALA A 47 -1.737 15.487 -2.708 1.00 23.14 H new ATOM 0 HB3 ALA A 47 -0.634 14.379 -1.858 1.00 23.14 H new ATOM 731 N ALA A 48 2.109 15.219 -1.259 1.00 11.35 N ATOM 732 CA ALA A 48 3.172 15.078 -0.272 1.00 22.43 C ATOM 733 C ALA A 48 4.146 16.249 -0.342 1.00 64.34 C ATOM 734 O ALA A 48 4.768 16.611 0.656 1.00 52.42 O ATOM 735 CB ALA A 48 3.909 13.762 -0.475 1.00 44.34 C ATOM 0 H ALA A 48 2.059 14.459 -1.937 1.00 11.35 H new ATOM 0 HA ALA A 48 2.717 15.078 0.718 1.00 22.43 H new ATOM 0 HB1 ALA A 48 4.700 13.670 0.269 1.00 44.34 H new ATOM 0 HB2 ALA A 48 3.210 12.933 -0.366 1.00 44.34 H new ATOM 0 HB3 ALA A 48 4.345 13.740 -1.474 1.00 44.34 H new ATOM 741 N GLU A 49 4.275 16.835 -1.529 1.00 14.14 N ATOM 742 CA GLU A 49 5.175 17.964 -1.728 1.00 42.43 C ATOM 743 C GLU A 49 4.616 19.228 -1.080 1.00 73.42 C ATOM 744 O GLU A 49 5.364 20.051 -0.555 1.00 1.11 O ATOM 745 CB GLU A 49 5.406 18.204 -3.222 1.00 32.41 C ATOM 746 CG GLU A 49 5.669 16.931 -4.009 1.00 22.44 C ATOM 747 CD GLU A 49 6.436 17.186 -5.291 1.00 64.24 C ATOM 748 OE1 GLU A 49 6.099 16.560 -6.318 1.00 64.50 O ATOM 749 OE2 GLU A 49 7.373 18.011 -5.269 1.00 24.11 O ATOM 0 H GLU A 49 3.768 16.546 -2.366 1.00 14.14 H new ATOM 0 HA GLU A 49 6.127 17.724 -1.254 1.00 42.43 H new ATOM 0 HB2 GLU A 49 4.533 18.706 -3.640 1.00 32.41 H new ATOM 0 HB3 GLU A 49 6.252 18.880 -3.346 1.00 32.41 H new ATOM 0 HG2 GLU A 49 6.230 16.233 -3.387 1.00 22.44 H new ATOM 0 HG3 GLU A 49 4.719 16.453 -4.247 1.00 22.44 H new ATOM 756 N GLU A 50 3.295 19.372 -1.123 1.00 11.34 N ATOM 757 CA GLU A 50 2.636 20.536 -0.541 1.00 35.41 C ATOM 758 C GLU A 50 2.944 20.647 0.949 1.00 11.15 C ATOM 759 O GLU A 50 3.225 21.733 1.457 1.00 15.02 O ATOM 760 CB GLU A 50 1.123 20.452 -0.755 1.00 52.20 C ATOM 761 CG GLU A 50 0.678 20.897 -2.138 1.00 44.51 C ATOM 762 CD GLU A 50 1.179 19.979 -3.236 1.00 33.54 C ATOM 763 OE1 GLU A 50 0.382 19.149 -3.723 1.00 24.45 O ATOM 764 OE2 GLU A 50 2.366 20.089 -3.607 1.00 74.34 O ATOM 0 H GLU A 50 2.661 18.699 -1.554 1.00 11.34 H new ATOM 0 HA GLU A 50 3.018 21.426 -1.041 1.00 35.41 H new ATOM 0 HB2 GLU A 50 0.798 19.425 -0.591 1.00 52.20 H new ATOM 0 HB3 GLU A 50 0.624 21.067 -0.006 1.00 52.20 H new ATOM 0 HG2 GLU A 50 -0.411 20.935 -2.170 1.00 44.51 H new ATOM 0 HG3 GLU A 50 1.038 21.909 -2.323 1.00 44.51 H new ATOM 771 N PHE A 51 2.889 19.516 1.645 1.00 0.22 N ATOM 772 CA PHE A 51 3.161 19.486 3.078 1.00 74.13 C ATOM 773 C PHE A 51 4.645 19.256 3.345 1.00 43.30 C ATOM 774 O PHE A 51 5.151 19.579 4.419 1.00 31.42 O ATOM 775 CB PHE A 51 2.334 18.389 3.752 1.00 51.11 C ATOM 776 CG PHE A 51 1.432 18.901 4.839 1.00 71.25 C ATOM 777 CD1 PHE A 51 1.919 19.749 5.820 1.00 64.04 C ATOM 778 CD2 PHE A 51 0.097 18.533 4.879 1.00 34.11 C ATOM 779 CE1 PHE A 51 1.092 20.222 6.821 1.00 70.02 C ATOM 780 CE2 PHE A 51 -0.736 19.003 5.877 1.00 5.05 C ATOM 781 CZ PHE A 51 -0.237 19.848 6.850 1.00 30.52 C ATOM 0 H PHE A 51 2.659 18.608 1.240 1.00 0.22 H new ATOM 0 HA PHE A 51 2.880 20.453 3.496 1.00 74.13 H new ATOM 0 HB2 PHE A 51 1.730 17.885 2.997 1.00 51.11 H new ATOM 0 HB3 PHE A 51 3.008 17.643 4.172 1.00 51.11 H new ATOM 0 HD1 PHE A 51 2.958 20.044 5.802 1.00 64.04 H new ATOM 0 HD2 PHE A 51 -0.297 17.871 4.122 1.00 34.11 H new ATOM 0 HE1 PHE A 51 1.484 20.883 7.579 1.00 70.02 H new ATOM 0 HE2 PHE A 51 -1.775 18.710 5.896 1.00 5.05 H new ATOM 0 HZ PHE A 51 -0.885 20.215 7.632 1.00 30.52 H new ATOM 791 N GLY A 52 5.339 18.696 2.358 1.00 35.24 N ATOM 792 CA GLY A 52 6.758 18.431 2.506 1.00 12.51 C ATOM 793 C GLY A 52 7.046 17.395 3.573 1.00 24.45 C ATOM 794 O GLY A 52 8.109 17.414 4.196 1.00 53.11 O ATOM 0 H GLY A 52 4.943 18.421 1.459 1.00 35.24 H new ATOM 0 HA2 GLY A 52 7.162 18.089 1.553 1.00 12.51 H new ATOM 0 HA3 GLY A 52 7.273 19.358 2.756 1.00 12.51 H new ATOM 798 N ILE A 53 6.099 16.488 3.787 1.00 72.01 N ATOM 799 CA ILE A 53 6.257 15.439 4.787 1.00 52.41 C ATOM 800 C ILE A 53 5.444 14.202 4.420 1.00 42.44 C ATOM 801 O ILE A 53 4.423 14.298 3.739 1.00 65.52 O ATOM 802 CB ILE A 53 5.828 15.925 6.184 1.00 25.13 C ATOM 803 CG1 ILE A 53 4.465 16.616 6.112 1.00 21.44 C ATOM 804 CG2 ILE A 53 6.875 16.866 6.762 1.00 22.30 C ATOM 805 CD1 ILE A 53 3.966 17.108 7.453 1.00 72.13 C ATOM 0 H ILE A 53 5.214 16.458 3.281 1.00 72.01 H new ATOM 0 HA ILE A 53 7.316 15.181 4.809 1.00 52.41 H new ATOM 0 HB ILE A 53 5.741 15.060 6.842 1.00 25.13 H new ATOM 0 HG12 ILE A 53 4.530 17.460 5.426 1.00 21.44 H new ATOM 0 HG13 ILE A 53 3.736 15.921 5.695 1.00 21.44 H new ATOM 0 HG21 ILE A 53 6.558 17.201 7.749 1.00 22.30 H new ATOM 0 HG22 ILE A 53 7.828 16.343 6.845 1.00 22.30 H new ATOM 0 HG23 ILE A 53 6.991 17.729 6.106 1.00 22.30 H new ATOM 0 HD11 ILE A 53 2.995 17.587 7.326 1.00 72.13 H new ATOM 0 HD12 ILE A 53 3.868 16.265 8.137 1.00 72.13 H new ATOM 0 HD13 ILE A 53 4.675 17.827 7.863 1.00 72.13 H new ATOM 817 N ALA A 54 5.903 13.042 4.877 1.00 45.22 N ATOM 818 CA ALA A 54 5.217 11.786 4.600 1.00 43.42 C ATOM 819 C ALA A 54 5.026 10.973 5.875 1.00 34.41 C ATOM 820 O ALA A 54 5.563 9.873 6.008 1.00 52.12 O ATOM 821 CB ALA A 54 5.990 10.979 3.567 1.00 3.14 C ATOM 0 H ALA A 54 6.747 12.946 5.441 1.00 45.22 H new ATOM 0 HA ALA A 54 4.231 12.019 4.198 1.00 43.42 H new ATOM 0 HB1 ALA A 54 5.466 10.044 3.370 1.00 3.14 H new ATOM 0 HB2 ALA A 54 6.070 11.552 2.643 1.00 3.14 H new ATOM 0 HB3 ALA A 54 6.988 10.763 3.947 1.00 3.14 H new ATOM 827 N SER A 55 4.257 11.520 6.811 1.00 1.32 N ATOM 828 CA SER A 55 3.998 10.847 8.078 1.00 24.33 C ATOM 829 C SER A 55 2.696 11.341 8.700 1.00 31.13 C ATOM 830 O SER A 55 1.682 10.643 8.683 1.00 21.42 O ATOM 831 CB SER A 55 5.159 11.076 9.048 1.00 21.13 C ATOM 832 OG SER A 55 5.955 9.910 9.176 1.00 50.42 O ATOM 0 H SER A 55 3.802 12.428 6.715 1.00 1.32 H new ATOM 0 HA SER A 55 3.904 9.779 7.881 1.00 24.33 H new ATOM 0 HB2 SER A 55 5.775 11.903 8.694 1.00 21.13 H new ATOM 0 HB3 SER A 55 4.770 11.363 10.025 1.00 21.13 H new ATOM 0 HG SER A 55 6.087 9.506 8.293 1.00 50.42 H new ATOM 838 N VAL A 56 2.731 12.551 9.250 1.00 64.14 N ATOM 839 CA VAL A 56 1.555 13.141 9.877 1.00 74.34 C ATOM 840 C VAL A 56 0.493 13.485 8.838 1.00 31.31 C ATOM 841 O VAL A 56 -0.675 13.685 9.172 1.00 0.22 O ATOM 842 CB VAL A 56 1.917 14.413 10.665 1.00 1.11 C ATOM 843 CG1 VAL A 56 2.996 14.114 11.695 1.00 43.35 C ATOM 844 CG2 VAL A 56 2.363 15.517 9.718 1.00 10.23 C ATOM 0 H VAL A 56 3.562 13.142 9.274 1.00 64.14 H new ATOM 0 HA VAL A 56 1.157 12.397 10.567 1.00 74.34 H new ATOM 0 HB VAL A 56 1.029 14.757 11.195 1.00 1.11 H new ATOM 0 HG11 VAL A 56 3.239 15.025 12.242 1.00 43.35 H new ATOM 0 HG12 VAL A 56 2.634 13.358 12.392 1.00 43.35 H new ATOM 0 HG13 VAL A 56 3.889 13.745 11.190 1.00 43.35 H new ATOM 0 HG21 VAL A 56 2.615 16.409 10.292 1.00 10.23 H new ATOM 0 HG22 VAL A 56 3.238 15.186 9.159 1.00 10.23 H new ATOM 0 HG23 VAL A 56 1.556 15.749 9.023 1.00 10.23 H new ATOM 854 N ASP A 57 0.906 13.551 7.577 1.00 21.03 N ATOM 855 CA ASP A 57 -0.010 13.869 6.488 1.00 1.32 C ATOM 856 C ASP A 57 -1.085 12.796 6.351 1.00 62.42 C ATOM 857 O ASP A 57 -2.116 13.013 5.714 1.00 45.00 O ATOM 858 CB ASP A 57 0.758 14.011 5.173 1.00 53.41 C ATOM 859 CG ASP A 57 1.139 12.670 4.578 1.00 45.44 C ATOM 860 OD1 ASP A 57 0.657 12.353 3.470 1.00 14.41 O ATOM 861 OD2 ASP A 57 1.922 11.938 5.219 1.00 52.44 O ATOM 0 H ASP A 57 1.869 13.388 7.284 1.00 21.03 H new ATOM 0 HA ASP A 57 -0.496 14.817 6.720 1.00 1.32 H new ATOM 0 HB2 ASP A 57 0.149 14.563 4.457 1.00 53.41 H new ATOM 0 HB3 ASP A 57 1.660 14.599 5.344 1.00 53.41 H new ATOM 866 N SER A 58 -0.836 11.636 6.951 1.00 12.24 N ATOM 867 CA SER A 58 -1.780 10.527 6.892 1.00 74.40 C ATOM 868 C SER A 58 -3.121 10.921 7.504 1.00 73.03 C ATOM 869 O SER A 58 -4.160 10.352 7.169 1.00 23.32 O ATOM 870 CB SER A 58 -1.213 9.307 7.621 1.00 13.11 C ATOM 871 OG SER A 58 -1.194 9.515 9.023 1.00 64.52 O ATOM 0 H SER A 58 0.012 11.440 7.483 1.00 12.24 H new ATOM 0 HA SER A 58 -1.939 10.274 5.844 1.00 74.40 H new ATOM 0 HB2 SER A 58 -1.815 8.428 7.389 1.00 13.11 H new ATOM 0 HB3 SER A 58 -0.202 9.104 7.266 1.00 13.11 H new ATOM 0 HG SER A 58 -2.076 9.306 9.397 1.00 64.52 H new ATOM 877 N MET A 59 -3.090 11.900 8.402 1.00 25.44 N ATOM 878 CA MET A 59 -4.302 12.372 9.061 1.00 72.43 C ATOM 879 C MET A 59 -4.143 13.817 9.521 1.00 13.20 C ATOM 880 O MET A 59 -4.078 14.093 10.718 1.00 3.34 O ATOM 881 CB MET A 59 -4.640 11.478 10.255 1.00 34.15 C ATOM 882 CG MET A 59 -5.444 10.243 9.882 1.00 32.13 C ATOM 883 SD MET A 59 -4.466 8.730 9.952 1.00 44.12 S ATOM 884 CE MET A 59 -5.101 7.984 11.451 1.00 12.42 C ATOM 0 H MET A 59 -2.238 12.382 8.690 1.00 25.44 H new ATOM 0 HA MET A 59 -5.119 12.327 8.340 1.00 72.43 H new ATOM 0 HB2 MET A 59 -3.714 11.166 10.738 1.00 34.15 H new ATOM 0 HB3 MET A 59 -5.201 12.060 10.986 1.00 34.15 H new ATOM 0 HG2 MET A 59 -6.296 10.152 10.556 1.00 32.13 H new ATOM 0 HG3 MET A 59 -5.845 10.366 8.876 1.00 32.13 H new ATOM 0 HE1 MET A 59 -4.592 7.037 11.630 1.00 12.42 H new ATOM 0 HE2 MET A 59 -4.927 8.654 12.293 1.00 12.42 H new ATOM 0 HE3 MET A 59 -6.171 7.806 11.344 1.00 12.42 H new ATOM 894 N ALA A 60 -4.082 14.735 8.562 1.00 1.52 N ATOM 895 CA ALA A 60 -3.932 16.152 8.870 1.00 54.40 C ATOM 896 C ALA A 60 -4.747 17.012 7.909 1.00 33.33 C ATOM 897 O ALA A 60 -4.193 17.689 7.045 1.00 44.23 O ATOM 898 CB ALA A 60 -2.465 16.551 8.822 1.00 22.14 C ATOM 0 H ALA A 60 -4.134 14.523 7.566 1.00 1.52 H new ATOM 0 HA ALA A 60 -4.310 16.321 9.878 1.00 54.40 H new ATOM 0 HB1 ALA A 60 -2.369 17.612 9.054 1.00 22.14 H new ATOM 0 HB2 ALA A 60 -1.905 15.967 9.553 1.00 22.14 H new ATOM 0 HB3 ALA A 60 -2.069 16.360 7.825 1.00 22.14 H new ATOM 904 N ALA A 61 -6.067 16.978 8.067 1.00 44.44 N ATOM 905 CA ALA A 61 -6.957 17.755 7.214 1.00 54.42 C ATOM 906 C ALA A 61 -8.284 18.031 7.913 1.00 53.21 C ATOM 907 O ALA A 61 -8.705 17.276 8.790 1.00 12.21 O ATOM 908 CB ALA A 61 -7.193 17.030 5.897 1.00 11.12 C ATOM 0 H ALA A 61 -6.542 16.421 8.777 1.00 44.44 H new ATOM 0 HA ALA A 61 -6.478 18.712 7.008 1.00 54.42 H new ATOM 0 HB1 ALA A 61 -7.860 17.622 5.270 1.00 11.12 H new ATOM 0 HB2 ALA A 61 -6.242 16.889 5.384 1.00 11.12 H new ATOM 0 HB3 ALA A 61 -7.647 16.058 6.093 1.00 11.12 H new ATOM 914 N THR A 62 -8.940 19.119 7.520 1.00 74.33 N ATOM 915 CA THR A 62 -10.219 19.495 8.110 1.00 44.31 C ATOM 916 C THR A 62 -11.168 20.053 7.056 1.00 71.45 C ATOM 917 O THR A 62 -10.737 20.665 6.078 1.00 52.21 O ATOM 918 CB THR A 62 -10.036 20.542 9.225 1.00 41.53 C ATOM 919 OG1 THR A 62 -8.976 21.443 8.882 1.00 33.23 O ATOM 920 CG2 THR A 62 -9.727 19.870 10.554 1.00 70.23 C ATOM 0 H THR A 62 -8.606 19.755 6.796 1.00 74.33 H new ATOM 0 HA THR A 62 -10.648 18.589 8.538 1.00 44.31 H new ATOM 0 HB THR A 62 -10.968 21.099 9.326 1.00 41.53 H new ATOM 0 HG1 THR A 62 -8.867 22.107 9.595 1.00 33.23 H new ATOM 0 HG21 THR A 62 -9.602 20.630 11.326 1.00 70.23 H new ATOM 0 HG22 THR A 62 -10.549 19.208 10.827 1.00 70.23 H new ATOM 0 HG23 THR A 62 -8.808 19.290 10.464 1.00 70.23 H new ATOM 928 N THR A 63 -12.464 19.837 7.260 1.00 50.34 N ATOM 929 CA THR A 63 -13.475 20.318 6.326 1.00 21.32 C ATOM 930 C THR A 63 -13.900 21.743 6.662 1.00 70.34 C ATOM 931 O THR A 63 -13.658 22.230 7.766 1.00 51.41 O ATOM 932 CB THR A 63 -14.719 19.409 6.328 1.00 3.15 C ATOM 933 OG1 THR A 63 -15.588 19.766 5.248 1.00 61.22 O ATOM 934 CG2 THR A 63 -15.469 19.521 7.647 1.00 5.43 C ATOM 0 H THR A 63 -12.838 19.332 8.064 1.00 50.34 H new ATOM 0 HA THR A 63 -13.023 20.301 5.334 1.00 21.32 H new ATOM 0 HB THR A 63 -14.389 18.378 6.202 1.00 3.15 H new ATOM 0 HG1 THR A 63 -16.375 19.183 5.255 1.00 61.22 H new ATOM 0 HG21 THR A 63 -16.343 18.870 7.625 1.00 5.43 H new ATOM 0 HG22 THR A 63 -14.814 19.221 8.465 1.00 5.43 H new ATOM 0 HG23 THR A 63 -15.788 20.552 7.798 1.00 5.43 H new ATOM 942 N LYS A 64 -14.536 22.407 5.702 1.00 23.23 N ATOM 943 CA LYS A 64 -14.997 23.776 5.896 1.00 52.33 C ATOM 944 C LYS A 64 -15.915 23.875 7.110 1.00 31.20 C ATOM 945 O LYS A 64 -15.926 24.887 7.811 1.00 31.31 O ATOM 946 CB LYS A 64 -15.731 24.270 4.647 1.00 52.20 C ATOM 947 CG LYS A 64 -15.531 25.750 4.369 1.00 32.03 C ATOM 948 CD LYS A 64 -15.218 26.005 2.904 1.00 15.24 C ATOM 949 CE LYS A 64 -13.844 25.475 2.527 1.00 4.14 C ATOM 950 NZ LYS A 64 -12.811 26.548 2.548 1.00 23.33 N ATOM 0 H LYS A 64 -14.744 22.019 4.782 1.00 23.23 H new ATOM 0 HA LYS A 64 -14.124 24.405 6.071 1.00 52.33 H new ATOM 0 HB2 LYS A 64 -15.389 23.698 3.785 1.00 52.20 H new ATOM 0 HB3 LYS A 64 -16.797 24.071 4.760 1.00 52.20 H new ATOM 0 HG2 LYS A 64 -16.430 26.299 4.651 1.00 32.03 H new ATOM 0 HG3 LYS A 64 -14.718 26.131 4.987 1.00 32.03 H new ATOM 0 HD2 LYS A 64 -15.976 25.530 2.281 1.00 15.24 H new ATOM 0 HD3 LYS A 64 -15.264 27.075 2.702 1.00 15.24 H new ATOM 0 HE2 LYS A 64 -13.558 24.682 3.218 1.00 4.14 H new ATOM 0 HE3 LYS A 64 -13.886 25.031 1.532 1.00 4.14 H new ATOM 0 HZ1 LYS A 64 -11.888 26.147 2.285 1.00 23.33 H new ATOM 0 HZ2 LYS A 64 -13.070 27.293 1.870 1.00 23.33 H new ATOM 0 HZ3 LYS A 64 -12.752 26.955 3.503 1.00 23.33 H new ATOM 964 N ASP A 65 -16.682 22.818 7.353 1.00 20.23 N ATOM 965 CA ASP A 65 -17.601 22.784 8.485 1.00 53.41 C ATOM 966 C ASP A 65 -16.848 22.552 9.791 1.00 43.13 C ATOM 967 O ASP A 65 -17.351 22.855 10.872 1.00 62.41 O ATOM 968 CB ASP A 65 -18.650 21.689 8.285 1.00 11.21 C ATOM 969 CG ASP A 65 -19.845 21.857 9.203 1.00 1.40 C ATOM 970 OD1 ASP A 65 -20.791 21.048 9.100 1.00 1.25 O ATOM 971 OD2 ASP A 65 -19.834 22.798 10.024 1.00 23.45 O ATOM 0 H ASP A 65 -16.686 21.973 6.781 1.00 20.23 H new ATOM 0 HA ASP A 65 -18.102 23.750 8.543 1.00 53.41 H new ATOM 0 HB2 ASP A 65 -18.988 21.698 7.249 1.00 11.21 H new ATOM 0 HB3 ASP A 65 -18.193 20.715 8.463 1.00 11.21 H new ATOM 976 N GLY A 66 -15.638 22.012 9.682 1.00 63.51 N ATOM 977 CA GLY A 66 -14.835 21.747 10.861 1.00 22.44 C ATOM 978 C GLY A 66 -14.246 20.350 10.861 1.00 75.45 C ATOM 979 O GLY A 66 -13.255 20.085 10.180 1.00 4.21 O ATOM 0 H GLY A 66 -15.200 21.753 8.798 1.00 63.51 H new ATOM 0 HA2 GLY A 66 -14.028 22.478 10.919 1.00 22.44 H new ATOM 0 HA3 GLY A 66 -15.449 21.879 11.752 1.00 22.44 H new ATOM 983 N THR A 67 -14.858 19.451 11.627 1.00 44.24 N ATOM 984 CA THR A 67 -14.387 18.075 11.714 1.00 21.30 C ATOM 985 C THR A 67 -14.244 17.454 10.329 1.00 24.43 C ATOM 986 O THR A 67 -15.207 17.382 9.567 1.00 0.45 O ATOM 987 CB THR A 67 -15.341 17.207 12.557 1.00 3.31 C ATOM 988 OG1 THR A 67 -16.687 17.371 12.098 1.00 40.14 O ATOM 989 CG2 THR A 67 -15.253 17.581 14.029 1.00 21.42 C ATOM 0 H THR A 67 -15.681 19.652 12.196 1.00 44.24 H new ATOM 0 HA THR A 67 -13.411 18.105 12.198 1.00 21.30 H new ATOM 0 HB THR A 67 -15.044 16.164 12.444 1.00 3.31 H new ATOM 0 HG1 THR A 67 -16.691 17.467 11.123 1.00 40.14 H new ATOM 0 HG21 THR A 67 -15.935 16.955 14.605 1.00 21.42 H new ATOM 0 HG22 THR A 67 -14.234 17.428 14.383 1.00 21.42 H new ATOM 0 HG23 THR A 67 -15.527 18.628 14.155 1.00 21.42 H new ATOM 997 N GLY A 68 -13.034 17.004 10.010 1.00 62.15 N ATOM 998 CA GLY A 68 -12.787 16.394 8.716 1.00 32.31 C ATOM 999 C GLY A 68 -11.719 15.320 8.776 1.00 45.42 C ATOM 1000 O GLY A 68 -10.582 15.543 8.357 1.00 72.23 O ATOM 0 H GLY A 68 -12.221 17.051 10.624 1.00 62.15 H new ATOM 0 HA2 GLY A 68 -13.713 15.960 8.339 1.00 32.31 H new ATOM 0 HA3 GLY A 68 -12.484 17.164 8.007 1.00 32.31 H new ATOM 1004 N ILE A 69 -12.082 14.154 9.299 1.00 41.40 N ATOM 1005 CA ILE A 69 -11.145 13.043 9.412 1.00 12.43 C ATOM 1006 C ILE A 69 -11.121 12.212 8.134 1.00 11.11 C ATOM 1007 O ILE A 69 -12.167 11.857 7.593 1.00 32.31 O ATOM 1008 CB ILE A 69 -11.498 12.128 10.600 1.00 51.42 C ATOM 1009 CG1 ILE A 69 -10.407 11.075 10.802 1.00 73.54 C ATOM 1010 CG2 ILE A 69 -12.848 11.465 10.374 1.00 33.40 C ATOM 1011 CD1 ILE A 69 -9.077 11.656 11.227 1.00 32.55 C ATOM 0 H ILE A 69 -13.018 13.954 9.651 1.00 41.40 H new ATOM 0 HA ILE A 69 -10.159 13.477 9.579 1.00 12.43 H new ATOM 0 HB ILE A 69 -11.561 12.736 11.503 1.00 51.42 H new ATOM 0 HG12 ILE A 69 -10.739 10.360 11.555 1.00 73.54 H new ATOM 0 HG13 ILE A 69 -10.272 10.521 9.873 1.00 73.54 H new ATOM 0 HG21 ILE A 69 -13.084 10.822 11.222 1.00 33.40 H new ATOM 0 HG22 ILE A 69 -13.617 12.231 10.275 1.00 33.40 H new ATOM 0 HG23 ILE A 69 -12.812 10.867 9.464 1.00 33.40 H new ATOM 0 HD11 ILE A 69 -8.352 10.852 11.351 1.00 32.55 H new ATOM 0 HD12 ILE A 69 -8.723 12.350 10.464 1.00 32.55 H new ATOM 0 HD13 ILE A 69 -9.197 12.186 12.172 1.00 32.55 H new ATOM 1023 N ASN A 70 -9.919 11.904 7.658 1.00 52.13 N ATOM 1024 CA ASN A 70 -9.758 11.113 6.443 1.00 32.22 C ATOM 1025 C ASN A 70 -9.231 9.719 6.768 1.00 24.42 C ATOM 1026 O ASN A 70 -8.031 9.451 6.702 1.00 62.23 O ATOM 1027 CB ASN A 70 -8.807 11.817 5.473 1.00 33.12 C ATOM 1028 CG ASN A 70 -9.099 13.300 5.352 1.00 41.11 C ATOM 1029 OD1 ASN A 70 -9.777 13.737 4.422 1.00 60.33 O ATOM 1030 ND2 ASN A 70 -8.586 14.083 6.294 1.00 33.32 N ATOM 0 H ASN A 70 -9.043 12.190 8.095 1.00 52.13 H new ATOM 0 HA ASN A 70 -10.736 11.012 5.973 1.00 32.22 H new ATOM 0 HB2 ASN A 70 -7.780 11.678 5.810 1.00 33.12 H new ATOM 0 HB3 ASN A 70 -8.885 11.353 4.490 1.00 33.12 H new ATOM 0 HD21 ASN A 70 -8.748 15.090 6.265 1.00 33.32 H new ATOM 0 HD22 ASN A 70 -8.030 13.678 7.047 1.00 33.32 H new ATOM 1037 N PRO A 71 -10.147 8.808 7.128 1.00 54.11 N ATOM 1038 CA PRO A 71 -9.799 7.426 7.469 1.00 23.23 C ATOM 1039 C PRO A 71 -9.339 6.627 6.254 1.00 32.14 C ATOM 1040 O PRO A 71 -8.304 5.963 6.292 1.00 44.32 O ATOM 1041 CB PRO A 71 -11.108 6.855 8.020 1.00 0.43 C ATOM 1042 CG PRO A 71 -12.176 7.680 7.389 1.00 61.14 C ATOM 1043 CD PRO A 71 -11.595 9.058 7.229 1.00 72.34 C ATOM 0 HA PRO A 71 -8.968 7.377 8.172 1.00 23.23 H new ATOM 0 HB2 PRO A 71 -11.219 5.801 7.765 1.00 0.43 H new ATOM 0 HB3 PRO A 71 -11.144 6.925 9.107 1.00 0.43 H new ATOM 0 HG2 PRO A 71 -12.470 7.266 6.424 1.00 61.14 H new ATOM 0 HG3 PRO A 71 -13.070 7.703 8.012 1.00 61.14 H new ATOM 0 HD2 PRO A 71 -11.980 9.556 6.339 1.00 72.34 H new ATOM 0 HD3 PRO A 71 -11.834 9.696 8.080 1.00 72.34 H new ATOM 1051 N ALA A 72 -10.116 6.696 5.178 1.00 20.03 N ATOM 1052 CA ALA A 72 -9.787 5.981 3.951 1.00 2.04 C ATOM 1053 C ALA A 72 -9.140 6.911 2.931 1.00 41.13 C ATOM 1054 O ALA A 72 -8.345 6.476 2.098 1.00 30.12 O ATOM 1055 CB ALA A 72 -11.034 5.337 3.365 1.00 33.31 C ATOM 0 H ALA A 72 -10.978 7.240 5.131 1.00 20.03 H new ATOM 0 HA ALA A 72 -9.069 5.198 4.197 1.00 2.04 H new ATOM 0 HB1 ALA A 72 -10.773 4.807 2.449 1.00 33.31 H new ATOM 0 HB2 ALA A 72 -11.453 4.634 4.085 1.00 33.31 H new ATOM 0 HB3 ALA A 72 -11.771 6.108 3.140 1.00 33.31 H new ATOM 1061 N GLN A 73 -9.487 8.192 3.001 1.00 3.22 N ATOM 1062 CA GLN A 73 -8.940 9.183 2.081 1.00 21.24 C ATOM 1063 C GLN A 73 -9.175 8.769 0.633 1.00 71.44 C ATOM 1064 O GLN A 73 -8.466 9.207 -0.273 1.00 44.34 O ATOM 1065 CB GLN A 73 -7.443 9.372 2.333 1.00 11.35 C ATOM 1066 CG GLN A 73 -7.058 9.288 3.802 1.00 40.14 C ATOM 1067 CD GLN A 73 -5.824 10.105 4.129 1.00 44.11 C ATOM 1068 OE1 GLN A 73 -5.787 10.823 5.129 1.00 54.24 O ATOM 1069 NE2 GLN A 73 -4.803 10.000 3.286 1.00 20.41 N ATOM 0 H GLN A 73 -10.144 8.568 3.685 1.00 3.22 H new ATOM 0 HA GLN A 73 -9.453 10.128 2.258 1.00 21.24 H new ATOM 0 HB2 GLN A 73 -6.891 8.614 1.777 1.00 11.35 H new ATOM 0 HB3 GLN A 73 -7.136 10.342 1.940 1.00 11.35 H new ATOM 0 HG2 GLN A 73 -7.891 9.635 4.413 1.00 40.14 H new ATOM 0 HG3 GLN A 73 -6.880 8.246 4.068 1.00 40.14 H new ATOM 0 HE21 GLN A 73 -4.876 9.393 2.469 1.00 20.41 H new ATOM 0 HE22 GLN A 73 -3.946 10.526 3.455 1.00 20.41 H new ATOM 1078 N THR A 74 -10.176 7.920 0.420 1.00 72.03 N ATOM 1079 CA THR A 74 -10.504 7.445 -0.918 1.00 52.15 C ATOM 1080 C THR A 74 -11.308 8.486 -1.690 1.00 21.14 C ATOM 1081 O THR A 74 -11.898 9.390 -1.100 1.00 3.54 O ATOM 1082 CB THR A 74 -11.304 6.130 -0.867 1.00 73.24 C ATOM 1083 OG1 THR A 74 -10.891 5.348 0.259 1.00 10.40 O ATOM 1084 CG2 THR A 74 -11.110 5.328 -2.146 1.00 11.33 C ATOM 0 H THR A 74 -10.774 7.547 1.158 1.00 72.03 H new ATOM 0 HA THR A 74 -9.559 7.267 -1.430 1.00 52.15 H new ATOM 0 HB THR A 74 -12.361 6.378 -0.769 1.00 73.24 H new ATOM 0 HG1 THR A 74 -11.406 4.514 0.285 1.00 10.40 H new ATOM 0 HG21 THR A 74 -11.685 4.404 -2.087 1.00 11.33 H new ATOM 0 HG22 THR A 74 -11.453 5.914 -2.999 1.00 11.33 H new ATOM 0 HG23 THR A 74 -10.053 5.091 -2.270 1.00 11.33 H new ATOM 1092 N ALA A 75 -11.327 8.351 -3.012 1.00 13.23 N ATOM 1093 CA ALA A 75 -12.061 9.279 -3.863 1.00 74.13 C ATOM 1094 C ALA A 75 -13.557 9.228 -3.569 1.00 62.14 C ATOM 1095 O ALA A 75 -14.219 10.262 -3.486 1.00 64.32 O ATOM 1096 CB ALA A 75 -11.799 8.970 -5.330 1.00 22.33 C ATOM 0 H ALA A 75 -10.843 7.608 -3.516 1.00 13.23 H new ATOM 0 HA ALA A 75 -11.709 10.288 -3.647 1.00 74.13 H new ATOM 0 HB1 ALA A 75 -12.354 9.671 -5.954 1.00 22.33 H new ATOM 0 HB2 ALA A 75 -10.733 9.065 -5.537 1.00 22.33 H new ATOM 0 HB3 ALA A 75 -12.123 7.953 -5.551 1.00 22.33 H new ATOM 1102 N GLY A 76 -14.084 8.017 -3.414 1.00 0.12 N ATOM 1103 CA GLY A 76 -15.498 7.854 -3.132 1.00 12.41 C ATOM 1104 C GLY A 76 -15.884 8.394 -1.769 1.00 5.31 C ATOM 1105 O GLY A 76 -16.958 8.969 -1.603 1.00 14.11 O ATOM 0 H GLY A 76 -13.557 7.146 -3.479 1.00 0.12 H new ATOM 0 HA2 GLY A 76 -16.080 8.365 -3.900 1.00 12.41 H new ATOM 0 HA3 GLY A 76 -15.757 6.797 -3.187 1.00 12.41 H new ATOM 1109 N ASN A 77 -15.004 8.207 -0.790 1.00 11.51 N ATOM 1110 CA ASN A 77 -15.259 8.678 0.567 1.00 51.23 C ATOM 1111 C ASN A 77 -15.164 10.199 0.642 1.00 53.15 C ATOM 1112 O ASN A 77 -16.097 10.869 1.085 1.00 11.11 O ATOM 1113 CB ASN A 77 -14.266 8.045 1.544 1.00 50.45 C ATOM 1114 CG ASN A 77 -14.738 6.698 2.056 1.00 43.30 C ATOM 1115 OD1 ASN A 77 -15.252 6.591 3.169 1.00 24.44 O ATOM 1116 ND2 ASN A 77 -14.564 5.663 1.243 1.00 32.42 N ATOM 0 H ASN A 77 -14.109 7.733 -0.911 1.00 11.51 H new ATOM 0 HA ASN A 77 -16.271 8.381 0.844 1.00 51.23 H new ATOM 0 HB2 ASN A 77 -13.301 7.926 1.051 1.00 50.45 H new ATOM 0 HB3 ASN A 77 -14.112 8.718 2.388 1.00 50.45 H new ATOM 0 HD21 ASN A 77 -14.861 4.731 1.533 1.00 32.42 H new ATOM 0 HD22 ASN A 77 -14.133 5.800 0.329 1.00 32.42 H new ATOM 1123 N VAL A 78 -14.031 10.738 0.204 1.00 42.20 N ATOM 1124 CA VAL A 78 -13.814 12.180 0.219 1.00 20.14 C ATOM 1125 C VAL A 78 -14.847 12.900 -0.640 1.00 10.23 C ATOM 1126 O VAL A 78 -15.233 14.032 -0.347 1.00 14.00 O ATOM 1127 CB VAL A 78 -12.403 12.541 -0.283 1.00 33.22 C ATOM 1128 CG1 VAL A 78 -11.343 11.838 0.552 1.00 13.50 C ATOM 1129 CG2 VAL A 78 -12.255 12.187 -1.755 1.00 35.32 C ATOM 0 H VAL A 78 -13.249 10.198 -0.166 1.00 42.20 H new ATOM 0 HA VAL A 78 -13.917 12.505 1.254 1.00 20.14 H new ATOM 0 HB VAL A 78 -12.262 13.616 -0.175 1.00 33.22 H new ATOM 0 HG11 VAL A 78 -10.353 12.105 0.183 1.00 13.50 H new ATOM 0 HG12 VAL A 78 -11.437 12.146 1.593 1.00 13.50 H new ATOM 0 HG13 VAL A 78 -11.479 10.759 0.479 1.00 13.50 H new ATOM 0 HG21 VAL A 78 -11.252 12.449 -2.093 1.00 35.32 H new ATOM 0 HG22 VAL A 78 -12.416 11.117 -1.890 1.00 35.32 H new ATOM 0 HG23 VAL A 78 -12.991 12.741 -2.338 1.00 35.32 H new ATOM 1139 N PHE A 79 -15.292 12.237 -1.702 1.00 24.42 N ATOM 1140 CA PHE A 79 -16.280 12.814 -2.605 1.00 74.40 C ATOM 1141 C PHE A 79 -17.526 13.251 -1.840 1.00 10.11 C ATOM 1142 O PHE A 79 -18.084 14.317 -2.099 1.00 70.22 O ATOM 1143 CB PHE A 79 -16.663 11.804 -3.689 1.00 64.22 C ATOM 1144 CG PHE A 79 -17.834 12.235 -4.524 1.00 40.43 C ATOM 1145 CD1 PHE A 79 -18.932 11.405 -4.683 1.00 43.24 C ATOM 1146 CD2 PHE A 79 -17.837 13.471 -5.151 1.00 11.32 C ATOM 1147 CE1 PHE A 79 -20.012 11.799 -5.451 1.00 4.51 C ATOM 1148 CE2 PHE A 79 -18.914 13.871 -5.919 1.00 51.21 C ATOM 1149 CZ PHE A 79 -20.002 13.034 -6.070 1.00 71.23 C ATOM 0 H PHE A 79 -14.984 11.299 -1.958 1.00 24.42 H new ATOM 0 HA PHE A 79 -15.836 13.692 -3.075 1.00 74.40 H new ATOM 0 HB2 PHE A 79 -15.804 11.639 -4.340 1.00 64.22 H new ATOM 0 HB3 PHE A 79 -16.895 10.849 -3.218 1.00 64.22 H new ATOM 0 HD1 PHE A 79 -18.944 10.439 -4.201 1.00 43.24 H new ATOM 0 HD2 PHE A 79 -16.988 14.129 -5.038 1.00 11.32 H new ATOM 0 HE1 PHE A 79 -20.862 11.143 -5.567 1.00 4.51 H new ATOM 0 HE2 PHE A 79 -18.905 14.838 -6.401 1.00 51.21 H new ATOM 0 HZ PHE A 79 -20.844 13.344 -6.671 1.00 71.23 H new ATOM 1159 N MET A 80 -17.956 12.420 -0.897 1.00 31.35 N ATOM 1160 CA MET A 80 -19.135 12.721 -0.093 1.00 33.51 C ATOM 1161 C MET A 80 -18.740 13.366 1.231 1.00 13.34 C ATOM 1162 O MET A 80 -19.554 14.026 1.879 1.00 25.45 O ATOM 1163 CB MET A 80 -19.940 11.446 0.168 1.00 61.32 C ATOM 1164 CG MET A 80 -21.010 11.178 -0.878 1.00 62.21 C ATOM 1165 SD MET A 80 -21.246 9.419 -1.195 1.00 34.41 S ATOM 1166 CE MET A 80 -22.986 9.236 -0.809 1.00 61.00 C ATOM 0 H MET A 80 -17.506 11.533 -0.671 1.00 31.35 H new ATOM 0 HA MET A 80 -19.753 13.425 -0.650 1.00 33.51 H new ATOM 0 HB2 MET A 80 -19.258 10.597 0.204 1.00 61.32 H new ATOM 0 HB3 MET A 80 -20.412 11.518 1.148 1.00 61.32 H new ATOM 0 HG2 MET A 80 -21.953 11.613 -0.547 1.00 62.21 H new ATOM 0 HG3 MET A 80 -20.737 11.677 -1.808 1.00 62.21 H new ATOM 0 HE1 MET A 80 -23.284 8.198 -0.957 1.00 61.00 H new ATOM 0 HE2 MET A 80 -23.160 9.519 0.229 1.00 61.00 H new ATOM 0 HE3 MET A 80 -23.574 9.879 -1.464 1.00 61.00 H new ATOM 1176 N LYS A 81 -17.487 13.173 1.629 1.00 73.45 N ATOM 1177 CA LYS A 81 -16.983 13.737 2.875 1.00 34.41 C ATOM 1178 C LYS A 81 -16.785 15.244 2.750 1.00 71.25 C ATOM 1179 O LYS A 81 -17.343 16.020 3.526 1.00 61.31 O ATOM 1180 CB LYS A 81 -15.663 13.068 3.264 1.00 44.40 C ATOM 1181 CG LYS A 81 -15.316 13.218 4.735 1.00 24.41 C ATOM 1182 CD LYS A 81 -16.215 12.361 5.610 1.00 74.10 C ATOM 1183 CE LYS A 81 -15.994 10.878 5.354 1.00 42.11 C ATOM 1184 NZ LYS A 81 -16.672 10.032 6.374 1.00 74.40 N ATOM 0 H LYS A 81 -16.801 12.629 1.105 1.00 73.45 H new ATOM 0 HA LYS A 81 -17.722 13.550 3.654 1.00 34.41 H new ATOM 0 HB2 LYS A 81 -15.717 12.007 3.018 1.00 44.40 H new ATOM 0 HB3 LYS A 81 -14.859 13.494 2.664 1.00 44.40 H new ATOM 0 HG2 LYS A 81 -14.275 12.936 4.895 1.00 24.41 H new ATOM 0 HG3 LYS A 81 -15.412 14.264 5.028 1.00 24.41 H new ATOM 0 HD2 LYS A 81 -16.021 12.583 6.659 1.00 74.10 H new ATOM 0 HD3 LYS A 81 -17.258 12.613 5.418 1.00 74.10 H new ATOM 0 HE2 LYS A 81 -16.367 10.621 4.363 1.00 42.11 H new ATOM 0 HE3 LYS A 81 -14.925 10.664 5.357 1.00 42.11 H new ATOM 0 HZ1 LYS A 81 -16.497 9.028 6.164 1.00 74.40 H new ATOM 0 HZ2 LYS A 81 -16.298 10.259 7.317 1.00 74.40 H new ATOM 0 HZ3 LYS A 81 -17.695 10.217 6.354 1.00 74.40 H new ATOM 1198 N TYR A 82 -15.989 15.651 1.767 1.00 13.21 N ATOM 1199 CA TYR A 82 -15.717 17.066 1.541 1.00 72.32 C ATOM 1200 C TYR A 82 -16.224 17.506 0.171 1.00 72.42 C ATOM 1201 O TYR A 82 -16.567 18.669 -0.033 1.00 11.43 O ATOM 1202 CB TYR A 82 -14.217 17.343 1.655 1.00 72.31 C ATOM 1203 CG TYR A 82 -13.551 16.608 2.796 1.00 61.30 C ATOM 1204 CD1 TYR A 82 -13.448 17.187 4.055 1.00 33.51 C ATOM 1205 CD2 TYR A 82 -13.023 15.335 2.615 1.00 0.40 C ATOM 1206 CE1 TYR A 82 -12.840 16.519 5.101 1.00 43.35 C ATOM 1207 CE2 TYR A 82 -12.414 14.660 3.655 1.00 11.20 C ATOM 1208 CZ TYR A 82 -12.325 15.256 4.896 1.00 43.33 C ATOM 1209 OH TYR A 82 -11.718 14.587 5.934 1.00 44.52 O ATOM 0 H TYR A 82 -15.521 15.022 1.115 1.00 13.21 H new ATOM 0 HA TYR A 82 -16.244 17.638 2.305 1.00 72.32 H new ATOM 0 HB2 TYR A 82 -13.732 17.062 0.720 1.00 72.31 H new ATOM 0 HB3 TYR A 82 -14.063 18.414 1.784 1.00 72.31 H new ATOM 0 HD1 TYR A 82 -13.850 18.176 4.219 1.00 33.51 H new ATOM 0 HD2 TYR A 82 -13.090 14.866 1.645 1.00 0.40 H new ATOM 0 HE1 TYR A 82 -12.769 16.983 6.073 1.00 43.35 H new ATOM 0 HE2 TYR A 82 -12.010 13.671 3.497 1.00 11.20 H new ATOM 0 HH TYR A 82 -11.726 13.624 5.752 1.00 44.52 H new ATOM 1219 N GLY A 83 -16.269 16.564 -0.767 1.00 32.21 N ATOM 1220 CA GLY A 83 -16.736 16.872 -2.106 1.00 42.10 C ATOM 1221 C GLY A 83 -16.051 18.091 -2.692 1.00 75.02 C ATOM 1222 O GLY A 83 -16.697 19.105 -2.957 1.00 23.04 O ATOM 0 H GLY A 83 -15.990 15.593 -0.623 1.00 32.21 H new ATOM 0 HA2 GLY A 83 -16.561 16.014 -2.755 1.00 42.10 H new ATOM 0 HA3 GLY A 83 -17.813 17.040 -2.082 1.00 42.10 H new ATOM 1226 N GLN A 84 -14.741 17.992 -2.894 1.00 15.40 N ATOM 1227 CA GLN A 84 -13.969 19.097 -3.450 1.00 55.33 C ATOM 1228 C GLN A 84 -14.048 20.325 -2.549 1.00 34.23 C ATOM 1229 O GLN A 84 -14.422 21.410 -2.993 1.00 60.45 O ATOM 1230 CB GLN A 84 -14.475 19.446 -4.851 1.00 63.44 C ATOM 1231 CG GLN A 84 -13.519 20.325 -5.641 1.00 53.44 C ATOM 1232 CD GLN A 84 -14.063 20.698 -7.006 1.00 40.45 C ATOM 1233 OE1 GLN A 84 -13.416 20.469 -8.029 1.00 11.31 O ATOM 1234 NE2 GLN A 84 -15.258 21.277 -7.030 1.00 71.32 N ATOM 0 H GLN A 84 -14.193 17.159 -2.681 1.00 15.40 H new ATOM 0 HA GLN A 84 -12.927 18.782 -3.514 1.00 55.33 H new ATOM 0 HB2 GLN A 84 -14.650 18.524 -5.405 1.00 63.44 H new ATOM 0 HB3 GLN A 84 -15.436 19.954 -4.765 1.00 63.44 H new ATOM 0 HG2 GLN A 84 -13.315 21.234 -5.075 1.00 53.44 H new ATOM 0 HG3 GLN A 84 -12.569 19.805 -5.762 1.00 53.44 H new ATOM 0 HE21 GLN A 84 -15.759 21.448 -6.158 1.00 71.32 H new ATOM 0 HE22 GLN A 84 -15.674 21.551 -7.920 1.00 71.32 H new ATOM 1243 N GLU A 85 -13.695 20.145 -1.280 1.00 25.01 N ATOM 1244 CA GLU A 85 -13.727 21.239 -0.316 1.00 70.31 C ATOM 1245 C GLU A 85 -13.074 20.824 0.999 1.00 1.33 C ATOM 1246 O GLU A 85 -13.750 20.663 2.016 1.00 63.10 O ATOM 1247 CB GLU A 85 -15.169 21.683 -0.064 1.00 52.43 C ATOM 1248 CG GLU A 85 -15.278 22.993 0.698 1.00 10.21 C ATOM 1249 CD GLU A 85 -15.456 24.188 -0.218 1.00 3.51 C ATOM 1250 OE1 GLU A 85 -16.550 24.791 -0.201 1.00 22.41 O ATOM 1251 OE2 GLU A 85 -14.502 24.522 -0.951 1.00 62.45 O ATOM 0 H GLU A 85 -13.384 19.253 -0.896 1.00 25.01 H new ATOM 0 HA GLU A 85 -13.165 22.074 -0.733 1.00 70.31 H new ATOM 0 HB2 GLU A 85 -15.681 21.785 -1.021 1.00 52.43 H new ATOM 0 HB3 GLU A 85 -15.688 20.904 0.494 1.00 52.43 H new ATOM 0 HG2 GLU A 85 -16.121 22.939 1.387 1.00 10.21 H new ATOM 0 HG3 GLU A 85 -14.382 23.133 1.302 1.00 10.21 H new ATOM 1258 N ILE A 86 -11.757 20.653 0.971 1.00 44.51 N ATOM 1259 CA ILE A 86 -11.012 20.259 2.160 1.00 31.52 C ATOM 1260 C ILE A 86 -9.707 21.039 2.277 1.00 54.35 C ATOM 1261 O ILE A 86 -9.073 21.361 1.272 1.00 61.23 O ATOM 1262 CB ILE A 86 -10.696 18.751 2.152 1.00 53.21 C ATOM 1263 CG1 ILE A 86 -9.942 18.359 3.424 1.00 44.12 C ATOM 1264 CG2 ILE A 86 -9.888 18.386 0.916 1.00 42.21 C ATOM 1265 CD1 ILE A 86 -9.848 16.864 3.635 1.00 55.14 C ATOM 0 H ILE A 86 -11.183 20.781 0.137 1.00 44.51 H new ATOM 0 HA ILE A 86 -11.645 20.486 3.018 1.00 31.52 H new ATOM 0 HB ILE A 86 -11.635 18.198 2.124 1.00 53.21 H new ATOM 0 HG12 ILE A 86 -8.936 18.776 3.383 1.00 44.12 H new ATOM 0 HG13 ILE A 86 -10.438 18.809 4.284 1.00 44.12 H new ATOM 0 HG21 ILE A 86 -9.673 17.318 0.925 1.00 42.21 H new ATOM 0 HG22 ILE A 86 -10.459 18.634 0.021 1.00 42.21 H new ATOM 0 HG23 ILE A 86 -8.952 18.945 0.915 1.00 42.21 H new ATOM 0 HD11 ILE A 86 -9.301 16.660 4.555 1.00 55.14 H new ATOM 0 HD12 ILE A 86 -10.851 16.443 3.708 1.00 55.14 H new ATOM 0 HD13 ILE A 86 -9.325 16.410 2.794 1.00 55.14 H new ATOM 1277 N ARG A 87 -9.312 21.340 3.509 1.00 22.42 N ATOM 1278 CA ARG A 87 -8.082 22.082 3.757 1.00 1.14 C ATOM 1279 C ARG A 87 -7.057 21.211 4.479 1.00 53.34 C ATOM 1280 O ARG A 87 -7.410 20.398 5.333 1.00 20.54 O ATOM 1281 CB ARG A 87 -8.375 23.335 4.585 1.00 35.31 C ATOM 1282 CG ARG A 87 -8.517 24.597 3.750 1.00 4.03 C ATOM 1283 CD ARG A 87 -7.217 25.386 3.710 1.00 55.31 C ATOM 1284 NE ARG A 87 -6.869 25.935 5.018 1.00 75.01 N ATOM 1285 CZ ARG A 87 -7.527 26.935 5.594 1.00 40.32 C ATOM 1286 NH1 ARG A 87 -8.562 27.493 4.980 1.00 23.05 N ATOM 1287 NH2 ARG A 87 -7.150 27.379 6.786 1.00 10.30 N ATOM 0 H ARG A 87 -9.826 21.082 4.351 1.00 22.42 H new ATOM 0 HA ARG A 87 -7.667 22.379 2.794 1.00 1.14 H new ATOM 0 HB2 ARG A 87 -9.293 23.179 5.152 1.00 35.31 H new ATOM 0 HB3 ARG A 87 -7.573 23.477 5.310 1.00 35.31 H new ATOM 0 HG2 ARG A 87 -8.815 24.332 2.735 1.00 4.03 H new ATOM 0 HG3 ARG A 87 -9.310 25.221 4.162 1.00 4.03 H new ATOM 0 HD2 ARG A 87 -6.411 24.740 3.362 1.00 55.31 H new ATOM 0 HD3 ARG A 87 -7.308 26.198 2.989 1.00 55.31 H new ATOM 0 HE ARG A 87 -6.077 25.528 5.516 1.00 75.01 H new ATOM 0 HH11 ARG A 87 -8.854 27.154 4.063 1.00 23.05 H new ATOM 0 HH12 ARG A 87 -9.065 28.261 5.425 1.00 23.05 H new ATOM 0 HH21 ARG A 87 -6.354 26.953 7.261 1.00 10.30 H new ATOM 0 HH22 ARG A 87 -7.656 28.147 7.228 1.00 10.30 H new ATOM 1301 N LEU A 88 -5.788 21.387 4.128 1.00 10.44 N ATOM 1302 CA LEU A 88 -4.711 20.618 4.742 1.00 73.42 C ATOM 1303 C LEU A 88 -4.184 21.318 5.990 1.00 31.31 C ATOM 1304 O LEU A 88 -3.563 22.378 5.904 1.00 73.33 O ATOM 1305 CB LEU A 88 -3.573 20.409 3.741 1.00 32.33 C ATOM 1306 CG LEU A 88 -3.715 19.209 2.804 1.00 73.11 C ATOM 1307 CD1 LEU A 88 -3.554 19.642 1.355 1.00 70.41 C ATOM 1308 CD2 LEU A 88 -2.699 18.133 3.157 1.00 31.33 C ATOM 0 H LEU A 88 -5.480 22.055 3.422 1.00 10.44 H new ATOM 0 HA LEU A 88 -5.112 19.648 5.035 1.00 73.42 H new ATOM 0 HB2 LEU A 88 -3.480 21.310 3.134 1.00 32.33 H new ATOM 0 HB3 LEU A 88 -2.642 20.302 4.297 1.00 32.33 H new ATOM 0 HG LEU A 88 -4.714 18.791 2.928 1.00 73.11 H new ATOM 0 HD11 LEU A 88 -3.658 18.775 0.702 1.00 70.41 H new ATOM 0 HD12 LEU A 88 -4.320 20.377 1.107 1.00 70.41 H new ATOM 0 HD13 LEU A 88 -2.568 20.085 1.215 1.00 70.41 H new ATOM 0 HD21 LEU A 88 -2.815 17.287 2.480 1.00 31.33 H new ATOM 0 HD22 LEU A 88 -1.692 18.538 3.062 1.00 31.33 H new ATOM 0 HD23 LEU A 88 -2.861 17.802 4.183 1.00 31.33 H new ATOM 1320 N ILE A 89 -4.434 20.717 7.149 1.00 43.32 N ATOM 1321 CA ILE A 89 -3.981 21.282 8.414 1.00 32.22 C ATOM 1322 C ILE A 89 -3.229 20.245 9.241 1.00 63.30 C ATOM 1323 O ILE A 89 -3.678 19.113 9.421 1.00 72.21 O ATOM 1324 CB ILE A 89 -5.161 21.825 9.242 1.00 23.45 C ATOM 1325 CG1 ILE A 89 -4.648 22.521 10.505 1.00 52.13 C ATOM 1326 CG2 ILE A 89 -6.117 20.698 9.604 1.00 61.21 C ATOM 1327 CD1 ILE A 89 -5.752 23.052 11.393 1.00 70.35 C ATOM 0 H ILE A 89 -4.947 19.840 7.238 1.00 43.32 H new ATOM 0 HA ILE A 89 -3.309 22.105 8.170 1.00 32.22 H new ATOM 0 HB ILE A 89 -5.702 22.556 8.641 1.00 23.45 H new ATOM 0 HG12 ILE A 89 -4.040 21.819 11.075 1.00 52.13 H new ATOM 0 HG13 ILE A 89 -3.996 23.346 10.216 1.00 52.13 H new ATOM 0 HG21 ILE A 89 -6.945 21.097 10.189 1.00 61.21 H new ATOM 0 HG22 ILE A 89 -6.503 20.242 8.693 1.00 61.21 H new ATOM 0 HG23 ILE A 89 -5.588 19.946 10.190 1.00 61.21 H new ATOM 0 HD11 ILE A 89 -5.315 23.532 12.269 1.00 70.35 H new ATOM 0 HD12 ILE A 89 -6.347 23.779 10.839 1.00 70.35 H new ATOM 0 HD13 ILE A 89 -6.391 22.228 11.712 1.00 70.35 H new ATOM 1339 N PRO A 90 -2.056 20.639 9.759 1.00 64.54 N ATOM 1340 CA PRO A 90 -1.216 19.759 10.577 1.00 34.34 C ATOM 1341 C PRO A 90 -1.834 19.473 11.942 1.00 53.50 C ATOM 1342 O PRO A 90 -1.704 20.270 12.871 1.00 12.25 O ATOM 1343 CB PRO A 90 0.083 20.553 10.734 1.00 32.22 C ATOM 1344 CG PRO A 90 -0.321 21.977 10.569 1.00 55.11 C ATOM 1345 CD PRO A 90 -1.458 21.973 9.585 1.00 54.33 C ATOM 0 HA PRO A 90 -1.080 18.781 10.116 1.00 34.34 H new ATOM 0 HB2 PRO A 90 0.537 20.381 11.710 1.00 32.22 H new ATOM 0 HB3 PRO A 90 0.819 20.261 9.985 1.00 32.22 H new ATOM 0 HG2 PRO A 90 -0.630 22.408 11.521 1.00 55.11 H new ATOM 0 HG3 PRO A 90 0.511 22.579 10.202 1.00 55.11 H new ATOM 0 HD2 PRO A 90 -2.176 22.766 9.797 1.00 54.33 H new ATOM 0 HD3 PRO A 90 -1.107 22.126 8.565 1.00 54.33 H new ATOM 1353 N ARG A 91 -2.506 18.332 12.055 1.00 13.53 N ATOM 1354 CA ARG A 91 -3.145 17.943 13.307 1.00 41.03 C ATOM 1355 C ARG A 91 -2.552 16.641 13.837 1.00 32.22 C ATOM 1356 O ARG A 91 -1.931 15.882 13.094 1.00 65.24 O ATOM 1357 CB ARG A 91 -4.653 17.785 13.107 1.00 53.13 C ATOM 1358 CG ARG A 91 -5.485 18.451 14.191 1.00 25.22 C ATOM 1359 CD ARG A 91 -6.973 18.335 13.902 1.00 40.51 C ATOM 1360 NE ARG A 91 -7.383 16.950 13.687 1.00 11.31 N ATOM 1361 CZ ARG A 91 -8.615 16.594 13.342 1.00 72.14 C ATOM 1362 NH1 ARG A 91 -9.553 17.516 13.172 1.00 23.13 N ATOM 1363 NH2 ARG A 91 -8.911 15.313 13.164 1.00 34.43 N ATOM 0 H ARG A 91 -2.622 17.661 11.296 1.00 13.53 H new ATOM 0 HA ARG A 91 -2.963 18.730 14.039 1.00 41.03 H new ATOM 0 HB2 ARG A 91 -4.929 18.205 12.140 1.00 53.13 H new ATOM 0 HB3 ARG A 91 -4.897 16.723 13.074 1.00 53.13 H new ATOM 0 HG2 ARG A 91 -5.264 17.992 15.155 1.00 25.22 H new ATOM 0 HG3 ARG A 91 -5.209 19.503 14.268 1.00 25.22 H new ATOM 0 HD2 ARG A 91 -7.538 18.755 14.734 1.00 40.51 H new ATOM 0 HD3 ARG A 91 -7.218 18.927 13.020 1.00 40.51 H new ATOM 0 HE ARG A 91 -6.685 16.216 13.808 1.00 11.31 H new ATOM 0 HH11 ARG A 91 -9.329 18.502 13.306 1.00 23.13 H new ATOM 0 HH12 ARG A 91 -10.498 17.239 12.907 1.00 23.13 H new ATOM 0 HH21 ARG A 91 -8.192 14.601 13.292 1.00 34.43 H new ATOM 0 HH22 ARG A 91 -9.857 15.040 12.899 1.00 34.43 H new ATOM 1377 N ASP A 92 -2.749 16.390 15.127 1.00 62.32 N ATOM 1378 CA ASP A 92 -2.234 15.179 15.757 1.00 15.41 C ATOM 1379 C ASP A 92 -0.709 15.157 15.727 1.00 74.00 C ATOM 1380 O ASP A 92 -0.095 14.091 15.700 1.00 60.53 O ATOM 1381 CB ASP A 92 -2.789 13.938 15.056 1.00 51.40 C ATOM 1382 CG ASP A 92 -3.098 12.815 16.026 1.00 60.11 C ATOM 1383 OD1 ASP A 92 -2.677 11.669 15.761 1.00 53.24 O ATOM 1384 OD2 ASP A 92 -3.760 13.081 17.051 1.00 44.54 O ATOM 0 H ASP A 92 -3.261 17.008 15.756 1.00 62.32 H new ATOM 0 HA ASP A 92 -2.559 15.174 16.798 1.00 15.41 H new ATOM 0 HB2 ASP A 92 -3.696 14.206 14.514 1.00 51.40 H new ATOM 0 HB3 ASP A 92 -2.068 13.588 14.318 1.00 51.40 H new ATOM 1389 N ARG A 93 -0.105 16.341 15.731 1.00 31.40 N ATOM 1390 CA ARG A 93 1.348 16.457 15.702 1.00 71.32 C ATOM 1391 C ARG A 93 1.821 17.592 16.605 1.00 31.00 C ATOM 1392 O ARG A 93 2.362 17.356 17.685 1.00 23.31 O ATOM 1393 CB ARG A 93 1.833 16.694 14.270 1.00 21.55 C ATOM 1394 CG ARG A 93 3.340 16.855 14.157 1.00 23.41 C ATOM 1395 CD ARG A 93 3.753 17.255 12.750 1.00 44.14 C ATOM 1396 NE ARG A 93 4.640 18.415 12.749 1.00 43.43 N ATOM 1397 CZ ARG A 93 4.976 19.083 11.651 1.00 53.34 C ATOM 1398 NH1 ARG A 93 4.500 18.708 10.471 1.00 22.02 N ATOM 1399 NH2 ARG A 93 5.788 20.129 11.731 1.00 41.31 N ATOM 0 H ARG A 93 -0.599 17.233 15.754 1.00 31.40 H new ATOM 0 HA ARG A 93 1.770 15.522 16.072 1.00 71.32 H new ATOM 0 HB2 ARG A 93 1.517 15.858 13.645 1.00 21.55 H new ATOM 0 HB3 ARG A 93 1.350 17.588 13.875 1.00 21.55 H new ATOM 0 HG2 ARG A 93 3.681 17.610 14.866 1.00 23.41 H new ATOM 0 HG3 ARG A 93 3.828 15.919 14.429 1.00 23.41 H new ATOM 0 HD2 ARG A 93 4.253 16.416 12.267 1.00 44.14 H new ATOM 0 HD3 ARG A 93 2.864 17.478 12.161 1.00 44.14 H new ATOM 0 HE ARG A 93 5.023 18.730 13.641 1.00 43.43 H new ATOM 0 HH11 ARG A 93 3.874 17.905 10.405 1.00 22.02 H new ATOM 0 HH12 ARG A 93 4.760 19.223 9.629 1.00 22.02 H new ATOM 0 HH21 ARG A 93 6.155 20.421 12.637 1.00 41.31 H new ATOM 0 HH22 ARG A 93 6.045 20.641 10.887 1.00 41.31 H new ATOM 1413 N VAL A 94 1.613 18.825 16.155 1.00 40.32 N ATOM 1414 CA VAL A 94 2.017 19.997 16.922 1.00 44.41 C ATOM 1415 C VAL A 94 1.228 20.102 18.222 1.00 2.31 C ATOM 1416 O VAL A 94 1.789 20.388 19.279 1.00 34.34 O ATOM 1417 CB VAL A 94 1.824 21.293 16.111 1.00 24.22 C ATOM 1418 CG1 VAL A 94 2.327 22.494 16.897 1.00 44.44 C ATOM 1419 CG2 VAL A 94 2.530 21.190 14.768 1.00 45.13 C ATOM 0 H VAL A 94 1.167 19.038 15.263 1.00 40.32 H new ATOM 0 HA VAL A 94 3.076 19.875 17.152 1.00 44.41 H new ATOM 0 HB VAL A 94 0.759 21.431 15.926 1.00 24.22 H new ATOM 0 HG11 VAL A 94 2.183 23.400 16.309 1.00 44.44 H new ATOM 0 HG12 VAL A 94 1.772 22.576 17.831 1.00 44.44 H new ATOM 0 HG13 VAL A 94 3.388 22.368 17.115 1.00 44.44 H new ATOM 0 HG21 VAL A 94 2.383 22.114 14.208 1.00 45.13 H new ATOM 0 HG22 VAL A 94 3.596 21.028 14.929 1.00 45.13 H new ATOM 0 HG23 VAL A 94 2.117 20.354 14.203 1.00 45.13 H new ATOM 1429 N GLY A 95 -0.078 19.869 18.136 1.00 60.31 N ATOM 1430 CA GLY A 95 -0.924 19.941 19.313 1.00 42.31 C ATOM 1431 C GLY A 95 -1.804 18.717 19.471 1.00 41.32 C ATOM 1432 O GLY A 95 -2.978 18.737 19.102 1.00 50.12 O ATOM 0 H GLY A 95 -0.565 19.632 17.272 1.00 60.31 H new ATOM 0 HA2 GLY A 95 -0.299 20.052 20.199 1.00 42.31 H new ATOM 0 HA3 GLY A 95 -1.551 20.830 19.252 1.00 42.31 H new TER 1436 GLY A 95