USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 818 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 88 THR OG1 : rot 166:sc= -1.4 USER MOD Set 1.2: A 91 GLN : amide:sc= -1.3 X(o=-2.7,f=-2.8) USER MOD Set 2.1: A 72 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: B 1 LYS NZ :NH3+ -166:sc= -0.0346 (180deg=-0.245) USER MOD Set 3.1: A 29 CYS SG : rot 180:sc= 0.255 USER MOD Set 3.2: A 40 LYS NZ :NH3+ 176:sc= 0.268 (180deg=0) USER MOD Single : A 6 THR OG1 : rot 119:sc= -1.02 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0449) USER MOD Single : A 21 SER OG : rot 34:sc= 1.31 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 27 SER OG : rot 58:sc= 1.54 USER MOD Single : A 31 HIS : no HD1:sc= -3.96 K(o=-4,f=-5.4!) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 165:sc=-0.00199 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 MET CE :methyl 135:sc= -1.95 (180deg=-5.32!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 99:sc= 1.13 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 179:sc= 0.439 USER MOD Single : A 76 GLN : amide:sc= -0.515 X(o=-0.51,f=-0.68) USER MOD Single : A 78 MET CE :methyl -151:sc= -2.73 (180deg=-4.82!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 GLN : amide:sc= -0.0757 X(o=-0.076,f=0) USER MOD Single : A 96 THR OG1 : rot -93:sc= 1.23 USER MOD Single : B -4 SER OG : rot -40:sc= 0.875 USER MOD Single : B -7 PHE N :NH3+ 163:sc= 0.784 (180deg=0.438) USER MOD ----------------------------------------------------------------- ATOM 42 N LEU A 2 5.991 -2.949 -8.463 1.00 63.24 N ATOM 43 CA LEU A 2 7.396 -2.926 -8.855 1.00 4.10 C ATOM 44 C LEU A 2 7.950 -4.342 -8.982 1.00 11.52 C ATOM 45 O LEU A 2 7.723 -5.188 -8.117 1.00 1.12 O ATOM 46 CB LEU A 2 8.217 -2.134 -7.835 1.00 63.53 C ATOM 47 CG LEU A 2 8.456 -2.819 -6.489 1.00 72.10 C ATOM 48 CD1 LEU A 2 9.856 -3.408 -6.431 1.00 25.44 C ATOM 49 CD2 LEU A 2 8.240 -1.838 -5.346 1.00 51.11 C ATOM 0 HA LEU A 2 7.468 -2.439 -9.828 1.00 4.10 H new ATOM 0 HB2 LEU A 2 9.185 -1.902 -8.279 1.00 63.53 H new ATOM 0 HB3 LEU A 2 7.714 -1.184 -7.653 1.00 63.53 H new ATOM 0 HG LEU A 2 7.738 -3.632 -6.384 1.00 72.10 H new ATOM 0 HD11 LEU A 2 10.008 -3.891 -5.466 1.00 25.44 H new ATOM 0 HD12 LEU A 2 9.975 -4.143 -7.227 1.00 25.44 H new ATOM 0 HD13 LEU A 2 10.591 -2.613 -6.558 1.00 25.44 H new ATOM 0 HD21 LEU A 2 8.414 -2.343 -4.396 1.00 51.11 H new ATOM 0 HD22 LEU A 2 8.934 -1.004 -5.447 1.00 51.11 H new ATOM 0 HD23 LEU A 2 7.217 -1.464 -5.376 1.00 51.11 H new ATOM 61 N PHE A 3 8.679 -4.592 -10.064 1.00 52.54 N ATOM 62 CA PHE A 3 9.266 -5.904 -10.304 1.00 64.51 C ATOM 63 C PHE A 3 10.790 -5.821 -10.334 1.00 73.31 C ATOM 64 O PHE A 3 11.360 -4.739 -10.469 1.00 24.41 O ATOM 65 CB PHE A 3 8.750 -6.485 -11.622 1.00 50.12 C ATOM 66 CG PHE A 3 7.316 -6.928 -11.561 1.00 61.02 C ATOM 67 CD1 PHE A 3 6.302 -6.009 -11.344 1.00 30.55 C ATOM 68 CD2 PHE A 3 6.983 -8.263 -11.721 1.00 34.41 C ATOM 69 CE1 PHE A 3 4.981 -6.414 -11.287 1.00 44.22 C ATOM 70 CE2 PHE A 3 5.664 -8.674 -11.666 1.00 11.51 C ATOM 71 CZ PHE A 3 4.662 -7.748 -11.448 1.00 2.14 C ATOM 0 H PHE A 3 8.877 -3.902 -10.789 1.00 52.54 H new ATOM 0 HA PHE A 3 8.971 -6.561 -9.486 1.00 64.51 H new ATOM 0 HB2 PHE A 3 8.858 -5.736 -12.407 1.00 50.12 H new ATOM 0 HB3 PHE A 3 9.373 -7.334 -11.904 1.00 50.12 H new ATOM 0 HD1 PHE A 3 6.546 -4.965 -11.218 1.00 30.55 H new ATOM 0 HD2 PHE A 3 7.762 -8.991 -11.891 1.00 34.41 H new ATOM 0 HE1 PHE A 3 4.200 -5.688 -11.117 1.00 44.22 H new ATOM 0 HE2 PHE A 3 5.417 -9.718 -11.793 1.00 11.51 H new ATOM 0 HZ PHE A 3 3.631 -8.067 -11.404 1.00 2.14 H new ATOM 81 N ALA A 4 11.442 -6.972 -10.207 1.00 32.41 N ATOM 82 CA ALA A 4 12.898 -7.031 -10.221 1.00 1.02 C ATOM 83 C ALA A 4 13.393 -8.168 -11.107 1.00 64.55 C ATOM 84 O ALA A 4 12.632 -9.067 -11.466 1.00 15.34 O ATOM 85 CB ALA A 4 13.433 -7.191 -8.806 1.00 4.14 C ATOM 0 H ALA A 4 10.984 -7.876 -10.093 1.00 32.41 H new ATOM 0 HA ALA A 4 13.271 -6.094 -10.635 1.00 1.02 H new ATOM 0 HB1 ALA A 4 14.522 -7.234 -8.831 1.00 4.14 H new ATOM 0 HB2 ALA A 4 13.117 -6.342 -8.199 1.00 4.14 H new ATOM 0 HB3 ALA A 4 13.044 -8.112 -8.372 1.00 4.14 H new ATOM 91 N VAL A 5 14.674 -8.124 -11.459 1.00 45.33 N ATOM 92 CA VAL A 5 15.272 -9.151 -12.304 1.00 74.02 C ATOM 93 C VAL A 5 16.584 -9.653 -11.714 1.00 24.42 C ATOM 94 O VAL A 5 17.451 -8.864 -11.336 1.00 20.32 O ATOM 95 CB VAL A 5 15.530 -8.626 -13.729 1.00 11.21 C ATOM 96 CG1 VAL A 5 16.405 -7.382 -13.689 1.00 55.12 C ATOM 97 CG2 VAL A 5 16.166 -9.708 -14.588 1.00 3.10 C ATOM 0 H VAL A 5 15.318 -7.387 -11.172 1.00 45.33 H new ATOM 0 HA VAL A 5 14.560 -9.975 -12.352 1.00 74.02 H new ATOM 0 HB VAL A 5 14.574 -8.354 -14.177 1.00 11.21 H new ATOM 0 HG11 VAL A 5 16.577 -7.025 -14.705 1.00 55.12 H new ATOM 0 HG12 VAL A 5 15.906 -6.604 -13.111 1.00 55.12 H new ATOM 0 HG13 VAL A 5 17.360 -7.624 -13.223 1.00 55.12 H new ATOM 0 HG21 VAL A 5 16.341 -9.320 -15.591 1.00 3.10 H new ATOM 0 HG22 VAL A 5 17.115 -10.013 -14.146 1.00 3.10 H new ATOM 0 HG23 VAL A 5 15.499 -10.568 -14.643 1.00 3.10 H new ATOM 107 N THR A 6 16.726 -10.973 -11.637 1.00 71.13 N ATOM 108 CA THR A 6 17.933 -11.582 -11.092 1.00 73.14 C ATOM 109 C THR A 6 19.103 -11.444 -12.059 1.00 41.32 C ATOM 110 O THR A 6 18.954 -11.649 -13.265 1.00 32.35 O ATOM 111 CB THR A 6 17.716 -13.074 -10.777 1.00 32.10 C ATOM 112 OG1 THR A 6 16.540 -13.549 -11.442 1.00 30.54 O ATOM 113 CG2 THR A 6 17.582 -13.296 -9.278 1.00 62.40 C ATOM 0 H THR A 6 16.019 -11.641 -11.945 1.00 71.13 H new ATOM 0 HA THR A 6 18.164 -11.053 -10.168 1.00 73.14 H new ATOM 0 HB THR A 6 18.584 -13.629 -11.134 1.00 32.10 H new ATOM 0 HG1 THR A 6 16.783 -14.266 -12.064 1.00 30.54 H new ATOM 0 HG21 THR A 6 17.429 -14.357 -9.080 1.00 62.40 H new ATOM 0 HG22 THR A 6 18.490 -12.960 -8.778 1.00 62.40 H new ATOM 0 HG23 THR A 6 16.730 -12.730 -8.901 1.00 62.40 H new ATOM 121 N LEU A 7 20.268 -11.095 -11.524 1.00 50.24 N ATOM 122 CA LEU A 7 21.466 -10.930 -12.341 1.00 12.44 C ATOM 123 C LEU A 7 22.454 -12.065 -12.094 1.00 33.22 C ATOM 124 O LEU A 7 23.377 -12.280 -12.879 1.00 44.22 O ATOM 125 CB LEU A 7 22.131 -9.585 -12.039 1.00 73.44 C ATOM 126 CG LEU A 7 21.221 -8.358 -12.101 1.00 10.15 C ATOM 127 CD1 LEU A 7 21.878 -7.172 -11.411 1.00 53.13 C ATOM 128 CD2 LEU A 7 20.881 -8.017 -13.544 1.00 64.22 C ATOM 0 H LEU A 7 20.409 -10.921 -10.529 1.00 50.24 H new ATOM 0 HA LEU A 7 21.168 -10.954 -13.389 1.00 12.44 H new ATOM 0 HB2 LEU A 7 22.572 -9.636 -11.043 1.00 73.44 H new ATOM 0 HB3 LEU A 7 22.950 -9.441 -12.743 1.00 73.44 H new ATOM 0 HG LEU A 7 20.294 -8.590 -11.577 1.00 10.15 H new ATOM 0 HD11 LEU A 7 21.216 -6.307 -11.465 1.00 53.13 H new ATOM 0 HD12 LEU A 7 22.069 -7.419 -10.367 1.00 53.13 H new ATOM 0 HD13 LEU A 7 22.820 -6.939 -11.907 1.00 53.13 H new ATOM 0 HD21 LEU A 7 20.233 -7.141 -13.568 1.00 64.22 H new ATOM 0 HD22 LEU A 7 21.798 -7.805 -14.093 1.00 64.22 H new ATOM 0 HD23 LEU A 7 20.368 -8.861 -14.006 1.00 64.22 H new ATOM 140 N TYR A 8 22.252 -12.791 -11.000 1.00 13.34 N ATOM 141 CA TYR A 8 23.125 -13.905 -10.649 1.00 53.31 C ATOM 142 C TYR A 8 22.310 -15.118 -10.209 1.00 44.43 C ATOM 143 O TYR A 8 21.136 -14.997 -9.864 1.00 33.24 O ATOM 144 CB TYR A 8 24.089 -13.493 -9.536 1.00 24.22 C ATOM 145 CG TYR A 8 24.897 -12.257 -9.861 1.00 24.22 C ATOM 146 CD1 TYR A 8 24.343 -10.989 -9.739 1.00 53.01 C ATOM 147 CD2 TYR A 8 26.215 -12.357 -10.291 1.00 32.34 C ATOM 148 CE1 TYR A 8 25.077 -9.857 -10.036 1.00 12.24 C ATOM 149 CE2 TYR A 8 26.957 -11.231 -10.588 1.00 12.42 C ATOM 150 CZ TYR A 8 26.383 -9.983 -10.459 1.00 44.20 C ATOM 151 OH TYR A 8 27.119 -8.858 -10.756 1.00 33.14 O ATOM 0 H TYR A 8 21.491 -12.628 -10.341 1.00 13.34 H new ATOM 0 HA TYR A 8 23.699 -14.178 -11.535 1.00 53.31 H new ATOM 0 HB2 TYR A 8 23.521 -13.316 -8.622 1.00 24.22 H new ATOM 0 HB3 TYR A 8 24.770 -14.319 -9.333 1.00 24.22 H new ATOM 0 HD1 TYR A 8 23.321 -10.886 -9.406 1.00 53.01 H new ATOM 0 HD2 TYR A 8 26.667 -13.333 -10.395 1.00 32.34 H new ATOM 0 HE1 TYR A 8 24.630 -8.879 -9.937 1.00 12.24 H new ATOM 0 HE2 TYR A 8 27.980 -11.327 -10.919 1.00 12.42 H new ATOM 0 HH TYR A 8 28.020 -9.121 -11.038 1.00 33.14 H new ATOM 161 N GLU A 9 22.945 -16.286 -10.225 1.00 41.41 N ATOM 162 CA GLU A 9 22.280 -17.521 -9.828 1.00 51.01 C ATOM 163 C GLU A 9 22.329 -17.703 -8.314 1.00 11.02 C ATOM 164 O GLU A 9 23.369 -18.046 -7.752 1.00 3.22 O ATOM 165 CB GLU A 9 22.931 -18.721 -10.518 1.00 70.44 C ATOM 166 CG GLU A 9 22.446 -20.062 -9.994 1.00 34.24 C ATOM 167 CD GLU A 9 20.941 -20.108 -9.813 1.00 53.02 C ATOM 168 OE1 GLU A 9 20.228 -20.317 -10.817 1.00 23.50 O ATOM 169 OE2 GLU A 9 20.476 -19.934 -8.667 1.00 73.31 O ATOM 0 H GLU A 9 23.918 -16.402 -10.508 1.00 41.41 H new ATOM 0 HA GLU A 9 21.236 -17.456 -10.135 1.00 51.01 H new ATOM 0 HB2 GLU A 9 22.733 -18.666 -11.588 1.00 70.44 H new ATOM 0 HB3 GLU A 9 24.012 -18.660 -10.391 1.00 70.44 H new ATOM 0 HG2 GLU A 9 22.749 -20.849 -10.685 1.00 34.24 H new ATOM 0 HG3 GLU A 9 22.930 -20.271 -9.040 1.00 34.24 H new ATOM 176 N PHE A 10 21.196 -17.470 -7.659 1.00 22.31 N ATOM 177 CA PHE A 10 21.109 -17.607 -6.210 1.00 1.43 C ATOM 178 C PHE A 10 20.717 -19.029 -5.820 1.00 12.32 C ATOM 179 O PHE A 10 19.544 -19.399 -5.875 1.00 32.04 O ATOM 180 CB PHE A 10 20.094 -16.612 -5.643 1.00 2.14 C ATOM 181 CG PHE A 10 20.051 -16.590 -4.141 1.00 41.44 C ATOM 182 CD1 PHE A 10 21.161 -16.201 -3.409 1.00 10.50 C ATOM 183 CD2 PHE A 10 18.901 -16.958 -3.463 1.00 33.23 C ATOM 184 CE1 PHE A 10 21.125 -16.179 -2.027 1.00 54.54 C ATOM 185 CE2 PHE A 10 18.858 -16.938 -2.081 1.00 43.35 C ATOM 186 CZ PHE A 10 19.972 -16.549 -1.363 1.00 11.41 C ATOM 0 H PHE A 10 20.326 -17.186 -8.109 1.00 22.31 H new ATOM 0 HA PHE A 10 22.092 -17.392 -5.790 1.00 1.43 H new ATOM 0 HB2 PHE A 10 20.335 -15.613 -6.006 1.00 2.14 H new ATOM 0 HB3 PHE A 10 19.103 -16.860 -6.023 1.00 2.14 H new ATOM 0 HD1 PHE A 10 22.065 -15.912 -3.924 1.00 10.50 H new ATOM 0 HD2 PHE A 10 18.028 -17.264 -4.020 1.00 33.23 H new ATOM 0 HE1 PHE A 10 21.997 -15.873 -1.468 1.00 54.54 H new ATOM 0 HE2 PHE A 10 17.955 -17.226 -1.564 1.00 43.35 H new ATOM 0 HZ PHE A 10 19.941 -16.534 -0.284 1.00 11.41 H new ATOM 196 N LYS A 11 21.707 -19.822 -5.426 1.00 61.43 N ATOM 197 CA LYS A 11 21.468 -21.204 -5.026 1.00 41.11 C ATOM 198 C LYS A 11 20.949 -21.273 -3.593 1.00 61.44 C ATOM 199 O LYS A 11 21.699 -21.064 -2.641 1.00 24.02 O ATOM 200 CB LYS A 11 22.754 -22.023 -5.154 1.00 62.41 C ATOM 201 CG LYS A 11 23.299 -22.082 -6.571 1.00 24.45 C ATOM 202 CD LYS A 11 22.269 -22.632 -7.542 1.00 74.13 C ATOM 203 CE LYS A 11 22.929 -23.244 -8.768 1.00 61.30 C ATOM 204 NZ LYS A 11 23.535 -24.571 -8.467 1.00 43.31 N ATOM 0 H LYS A 11 22.683 -19.531 -5.375 1.00 61.43 H new ATOM 0 HA LYS A 11 20.711 -21.623 -5.689 1.00 41.11 H new ATOM 0 HB2 LYS A 11 23.513 -21.596 -4.499 1.00 62.41 H new ATOM 0 HB3 LYS A 11 22.565 -23.038 -4.804 1.00 62.41 H new ATOM 0 HG2 LYS A 11 23.602 -21.084 -6.887 1.00 24.45 H new ATOM 0 HG3 LYS A 11 24.191 -22.708 -6.593 1.00 24.45 H new ATOM 0 HD2 LYS A 11 21.661 -23.385 -7.041 1.00 74.13 H new ATOM 0 HD3 LYS A 11 21.596 -21.833 -7.851 1.00 74.13 H new ATOM 0 HE2 LYS A 11 22.190 -23.354 -9.562 1.00 61.30 H new ATOM 0 HE3 LYS A 11 23.699 -22.569 -9.141 1.00 61.30 H new ATOM 0 HZ1 LYS A 11 23.808 -25.038 -9.355 1.00 43.31 H new ATOM 0 HZ2 LYS A 11 24.377 -24.441 -7.871 1.00 43.31 H new ATOM 0 HZ3 LYS A 11 22.843 -25.162 -7.964 1.00 43.31 H new ATOM 218 N ALA A 12 19.662 -21.570 -3.449 1.00 54.10 N ATOM 219 CA ALA A 12 19.044 -21.670 -2.133 1.00 31.44 C ATOM 220 C ALA A 12 19.744 -22.720 -1.276 1.00 43.12 C ATOM 221 O ALA A 12 20.327 -23.670 -1.797 1.00 73.51 O ATOM 222 CB ALA A 12 17.564 -21.998 -2.268 1.00 23.34 C ATOM 0 H ALA A 12 19.027 -21.746 -4.228 1.00 54.10 H new ATOM 0 HA ALA A 12 19.147 -20.705 -1.636 1.00 31.44 H new ATOM 0 HB1 ALA A 12 17.115 -22.070 -1.277 1.00 23.34 H new ATOM 0 HB2 ALA A 12 17.067 -21.211 -2.835 1.00 23.34 H new ATOM 0 HB3 ALA A 12 17.448 -22.949 -2.788 1.00 23.34 H new ATOM 228 N GLU A 13 19.684 -22.540 0.040 1.00 53.05 N ATOM 229 CA GLU A 13 20.314 -23.472 0.967 1.00 2.21 C ATOM 230 C GLU A 13 19.266 -24.203 1.801 1.00 12.40 C ATOM 231 O GLU A 13 19.463 -25.351 2.198 1.00 5.14 O ATOM 232 CB GLU A 13 21.287 -22.731 1.887 1.00 43.25 C ATOM 233 CG GLU A 13 20.701 -21.474 2.508 1.00 73.34 C ATOM 234 CD GLU A 13 21.682 -20.759 3.416 1.00 63.52 C ATOM 235 OE1 GLU A 13 22.160 -21.388 4.383 1.00 23.14 O ATOM 236 OE2 GLU A 13 21.972 -19.572 3.160 1.00 64.44 O ATOM 0 H GLU A 13 19.206 -21.758 0.487 1.00 53.05 H new ATOM 0 HA GLU A 13 20.866 -24.208 0.382 1.00 2.21 H new ATOM 0 HB2 GLU A 13 21.606 -23.404 2.683 1.00 43.25 H new ATOM 0 HB3 GLU A 13 22.178 -22.464 1.319 1.00 43.25 H new ATOM 0 HG2 GLU A 13 20.385 -20.796 1.716 1.00 73.34 H new ATOM 0 HG3 GLU A 13 19.810 -21.737 3.078 1.00 73.34 H new ATOM 243 N ARG A 14 18.151 -23.528 2.063 1.00 40.04 N ATOM 244 CA ARG A 14 17.072 -24.111 2.850 1.00 30.54 C ATOM 245 C ARG A 14 15.773 -24.146 2.051 1.00 15.13 C ATOM 246 O ARG A 14 15.730 -23.719 0.897 1.00 23.13 O ATOM 247 CB ARG A 14 16.868 -23.318 4.142 1.00 0.51 C ATOM 248 CG ARG A 14 17.945 -23.565 5.185 1.00 3.34 C ATOM 249 CD ARG A 14 17.800 -24.938 5.821 1.00 23.43 C ATOM 250 NE ARG A 14 18.530 -25.964 5.081 1.00 62.02 N ATOM 251 CZ ARG A 14 19.845 -26.132 5.160 1.00 5.23 C ATOM 252 NH1 ARG A 14 20.571 -25.346 5.944 1.00 63.13 N ATOM 253 NH2 ARG A 14 20.437 -27.088 4.455 1.00 4.35 N ATOM 0 H ARG A 14 17.972 -22.577 1.741 1.00 40.04 H new ATOM 0 HA ARG A 14 17.351 -25.134 3.100 1.00 30.54 H new ATOM 0 HB2 ARG A 14 16.841 -22.254 3.905 1.00 0.51 H new ATOM 0 HB3 ARG A 14 15.897 -23.575 4.566 1.00 0.51 H new ATOM 0 HG2 ARG A 14 18.928 -23.479 4.722 1.00 3.34 H new ATOM 0 HG3 ARG A 14 17.888 -22.797 5.957 1.00 3.34 H new ATOM 0 HD2 ARG A 14 18.165 -24.902 6.847 1.00 23.43 H new ATOM 0 HD3 ARG A 14 16.745 -25.206 5.867 1.00 23.43 H new ATOM 0 HE ARG A 14 18.001 -26.586 4.470 1.00 62.02 H new ATOM 0 HH11 ARG A 14 20.119 -24.611 6.488 1.00 63.13 H new ATOM 0 HH12 ARG A 14 21.581 -25.477 6.003 1.00 63.13 H new ATOM 0 HH21 ARG A 14 19.882 -27.695 3.852 1.00 4.35 H new ATOM 0 HH22 ARG A 14 21.447 -27.216 4.517 1.00 4.35 H new ATOM 267 N ASP A 15 14.715 -24.657 2.673 1.00 44.32 N ATOM 268 CA ASP A 15 13.414 -24.747 2.020 1.00 4.42 C ATOM 269 C ASP A 15 12.867 -23.358 1.706 1.00 41.22 C ATOM 270 O ASP A 15 12.269 -23.139 0.652 1.00 30.31 O ATOM 271 CB ASP A 15 12.427 -25.509 2.906 1.00 44.14 C ATOM 272 CG ASP A 15 10.985 -25.273 2.502 1.00 44.34 C ATOM 273 OD1 ASP A 15 10.570 -25.802 1.450 1.00 42.13 O ATOM 274 OD2 ASP A 15 10.272 -24.558 3.237 1.00 62.00 O ATOM 0 H ASP A 15 14.733 -25.015 3.628 1.00 44.32 H new ATOM 0 HA ASP A 15 13.542 -25.288 1.083 1.00 4.42 H new ATOM 0 HB2 ASP A 15 12.646 -26.576 2.855 1.00 44.14 H new ATOM 0 HB3 ASP A 15 12.565 -25.205 3.944 1.00 44.14 H new ATOM 279 N ASP A 16 13.075 -22.423 2.627 1.00 71.33 N ATOM 280 CA ASP A 16 12.602 -21.055 2.448 1.00 25.21 C ATOM 281 C ASP A 16 13.278 -20.399 1.248 1.00 61.41 C ATOM 282 O ASP A 16 12.612 -19.839 0.379 1.00 55.42 O ATOM 283 CB ASP A 16 12.867 -20.233 3.710 1.00 13.22 C ATOM 284 CG ASP A 16 14.279 -20.412 4.233 1.00 53.44 C ATOM 285 OD1 ASP A 16 14.510 -21.368 5.002 1.00 4.21 O ATOM 286 OD2 ASP A 16 15.152 -19.596 3.871 1.00 2.23 O ATOM 0 H ASP A 16 13.568 -22.587 3.505 1.00 71.33 H new ATOM 0 HA ASP A 16 11.528 -21.089 2.264 1.00 25.21 H new ATOM 0 HB2 ASP A 16 12.693 -19.178 3.496 1.00 13.22 H new ATOM 0 HB3 ASP A 16 12.157 -20.523 4.484 1.00 13.22 H new ATOM 291 N GLU A 17 14.605 -20.473 1.208 1.00 31.44 N ATOM 292 CA GLU A 17 15.370 -19.885 0.116 1.00 50.25 C ATOM 293 C GLU A 17 14.889 -20.414 -1.232 1.00 72.24 C ATOM 294 O GLU A 17 14.661 -21.614 -1.396 1.00 10.33 O ATOM 295 CB GLU A 17 16.861 -20.181 0.290 1.00 71.44 C ATOM 296 CG GLU A 17 17.465 -19.553 1.534 1.00 22.42 C ATOM 297 CD GLU A 17 17.278 -18.049 1.579 1.00 72.35 C ATOM 298 OE1 GLU A 17 17.878 -17.351 0.735 1.00 55.01 O ATOM 299 OE2 GLU A 17 16.531 -17.571 2.458 1.00 55.15 O ATOM 0 H GLU A 17 15.172 -20.934 1.919 1.00 31.44 H new ATOM 0 HA GLU A 17 15.216 -18.806 0.139 1.00 50.25 H new ATOM 0 HB2 GLU A 17 17.006 -21.261 0.331 1.00 71.44 H new ATOM 0 HB3 GLU A 17 17.399 -19.820 -0.587 1.00 71.44 H new ATOM 0 HG2 GLU A 17 17.010 -19.998 2.419 1.00 22.42 H new ATOM 0 HG3 GLU A 17 18.530 -19.784 1.573 1.00 22.42 H new ATOM 306 N LEU A 18 14.736 -19.512 -2.195 1.00 53.21 N ATOM 307 CA LEU A 18 14.281 -19.886 -3.530 1.00 30.53 C ATOM 308 C LEU A 18 15.419 -19.788 -4.540 1.00 63.43 C ATOM 309 O LEU A 18 16.190 -18.829 -4.531 1.00 3.44 O ATOM 310 CB LEU A 18 13.119 -18.991 -3.964 1.00 64.12 C ATOM 311 CG LEU A 18 12.216 -19.550 -5.064 1.00 42.02 C ATOM 312 CD1 LEU A 18 11.003 -20.239 -4.460 1.00 31.43 C ATOM 313 CD2 LEU A 18 11.784 -18.442 -6.014 1.00 23.12 C ATOM 0 H LEU A 18 14.920 -18.516 -2.077 1.00 53.21 H new ATOM 0 HA LEU A 18 13.940 -20.921 -3.494 1.00 30.53 H new ATOM 0 HB2 LEU A 18 12.504 -18.779 -3.090 1.00 64.12 H new ATOM 0 HB3 LEU A 18 13.527 -18.040 -4.305 1.00 64.12 H new ATOM 0 HG LEU A 18 12.782 -20.288 -5.632 1.00 42.02 H new ATOM 0 HD11 LEU A 18 10.372 -20.630 -5.258 1.00 31.43 H new ATOM 0 HD12 LEU A 18 11.331 -21.059 -3.821 1.00 31.43 H new ATOM 0 HD13 LEU A 18 10.435 -19.522 -3.867 1.00 31.43 H new ATOM 0 HD21 LEU A 18 11.142 -18.858 -6.790 1.00 23.12 H new ATOM 0 HD22 LEU A 18 11.236 -17.680 -5.459 1.00 23.12 H new ATOM 0 HD23 LEU A 18 12.664 -17.993 -6.474 1.00 23.12 H new ATOM 325 N ASP A 19 15.517 -20.786 -5.412 1.00 10.00 N ATOM 326 CA ASP A 19 16.559 -20.811 -6.432 1.00 10.21 C ATOM 327 C ASP A 19 16.132 -20.020 -7.664 1.00 40.43 C ATOM 328 O ASP A 19 15.047 -20.231 -8.206 1.00 31.42 O ATOM 329 CB ASP A 19 16.884 -22.253 -6.824 1.00 4.11 C ATOM 330 CG ASP A 19 18.114 -22.350 -7.705 1.00 50.25 C ATOM 331 OD1 ASP A 19 18.054 -21.880 -8.861 1.00 64.23 O ATOM 332 OD2 ASP A 19 19.136 -22.895 -7.239 1.00 42.53 O ATOM 0 H ASP A 19 14.887 -21.588 -5.433 1.00 10.00 H new ATOM 0 HA ASP A 19 17.452 -20.346 -6.015 1.00 10.21 H new ATOM 0 HB2 ASP A 19 17.039 -22.846 -5.922 1.00 4.11 H new ATOM 0 HB3 ASP A 19 16.031 -22.685 -7.347 1.00 4.11 H new ATOM 337 N VAL A 20 16.993 -19.106 -8.102 1.00 54.12 N ATOM 338 CA VAL A 20 16.705 -18.283 -9.271 1.00 11.44 C ATOM 339 C VAL A 20 17.950 -18.095 -10.131 1.00 34.22 C ATOM 340 O VAL A 20 19.060 -17.971 -9.615 1.00 23.41 O ATOM 341 CB VAL A 20 16.163 -16.900 -8.863 1.00 51.41 C ATOM 342 CG1 VAL A 20 17.161 -16.176 -7.972 1.00 31.33 C ATOM 343 CG2 VAL A 20 15.838 -16.070 -10.096 1.00 64.44 C ATOM 0 H VAL A 20 17.895 -18.917 -7.665 1.00 54.12 H new ATOM 0 HA VAL A 20 15.944 -18.808 -9.848 1.00 11.44 H new ATOM 0 HB VAL A 20 15.243 -17.043 -8.296 1.00 51.41 H new ATOM 0 HG11 VAL A 20 16.760 -15.201 -7.694 1.00 31.33 H new ATOM 0 HG12 VAL A 20 17.339 -16.765 -7.072 1.00 31.33 H new ATOM 0 HG13 VAL A 20 18.099 -16.043 -8.510 1.00 31.33 H new ATOM 0 HG21 VAL A 20 15.456 -15.096 -9.789 1.00 64.44 H new ATOM 0 HG22 VAL A 20 16.741 -15.935 -10.692 1.00 64.44 H new ATOM 0 HG23 VAL A 20 15.084 -16.584 -10.692 1.00 64.44 H new ATOM 353 N SER A 21 17.756 -18.075 -11.446 1.00 11.24 N ATOM 354 CA SER A 21 18.864 -17.906 -12.379 1.00 14.41 C ATOM 355 C SER A 21 18.918 -16.474 -12.904 1.00 31.13 C ATOM 356 O SER A 21 17.941 -15.727 -12.847 1.00 33.41 O ATOM 357 CB SER A 21 18.728 -18.884 -13.547 1.00 21.31 C ATOM 358 OG SER A 21 19.403 -20.100 -13.275 1.00 23.15 O ATOM 0 H SER A 21 16.843 -18.174 -11.889 1.00 11.24 H new ATOM 0 HA SER A 21 19.791 -18.115 -11.846 1.00 14.41 H new ATOM 0 HB2 SER A 21 17.674 -19.084 -13.737 1.00 21.31 H new ATOM 0 HB3 SER A 21 19.135 -18.433 -14.452 1.00 21.31 H new ATOM 0 HG SER A 21 19.349 -20.297 -12.317 1.00 23.15 H new ATOM 364 N PRO A 22 20.088 -16.081 -13.428 1.00 4.04 N ATOM 365 CA PRO A 22 20.300 -14.737 -13.974 1.00 32.14 C ATOM 366 C PRO A 22 19.531 -14.511 -15.271 1.00 43.01 C ATOM 367 O PRO A 22 19.716 -15.236 -16.247 1.00 75.35 O ATOM 368 CB PRO A 22 21.808 -14.692 -14.231 1.00 1.24 C ATOM 369 CG PRO A 22 22.203 -16.116 -14.418 1.00 43.14 C ATOM 370 CD PRO A 22 21.296 -16.918 -13.528 1.00 35.42 C ATOM 0 HA PRO A 22 19.947 -13.961 -13.295 1.00 32.14 H new ATOM 0 HB2 PRO A 22 22.042 -14.097 -15.114 1.00 1.24 H new ATOM 0 HB3 PRO A 22 22.339 -14.241 -13.393 1.00 1.24 H new ATOM 0 HG2 PRO A 22 22.094 -16.418 -15.460 1.00 43.14 H new ATOM 0 HG3 PRO A 22 23.248 -16.269 -14.150 1.00 43.14 H new ATOM 0 HD2 PRO A 22 21.073 -17.895 -13.957 1.00 35.42 H new ATOM 0 HD3 PRO A 22 21.745 -17.094 -12.550 1.00 35.42 H new ATOM 378 N GLY A 23 18.669 -13.499 -15.274 1.00 72.02 N ATOM 379 CA GLY A 23 17.886 -13.196 -16.458 1.00 15.43 C ATOM 380 C GLY A 23 16.419 -13.538 -16.286 1.00 11.43 C ATOM 381 O GLY A 23 15.638 -13.440 -17.231 1.00 72.14 O ATOM 0 H GLY A 23 18.499 -12.884 -14.478 1.00 72.02 H new ATOM 0 HA2 GLY A 23 17.984 -12.136 -16.693 1.00 15.43 H new ATOM 0 HA3 GLY A 23 18.288 -13.749 -17.307 1.00 15.43 H new ATOM 385 N GLU A 24 16.045 -13.941 -15.075 1.00 53.15 N ATOM 386 CA GLU A 24 14.662 -14.301 -14.785 1.00 10.04 C ATOM 387 C GLU A 24 13.885 -13.097 -14.261 1.00 53.42 C ATOM 388 O GLU A 24 14.466 -12.059 -13.945 1.00 72.41 O ATOM 389 CB GLU A 24 14.612 -15.438 -13.762 1.00 0.24 C ATOM 390 CG GLU A 24 15.087 -16.772 -14.311 1.00 63.30 C ATOM 391 CD GLU A 24 14.618 -17.948 -13.476 1.00 2.45 C ATOM 392 OE1 GLU A 24 13.474 -17.904 -12.978 1.00 53.53 O ATOM 393 OE2 GLU A 24 15.397 -18.912 -13.319 1.00 54.24 O ATOM 0 H GLU A 24 16.679 -14.026 -14.281 1.00 53.15 H new ATOM 0 HA GLU A 24 14.198 -14.635 -15.713 1.00 10.04 H new ATOM 0 HB2 GLU A 24 15.226 -15.169 -12.902 1.00 0.24 H new ATOM 0 HB3 GLU A 24 13.589 -15.546 -13.402 1.00 0.24 H new ATOM 0 HG2 GLU A 24 14.725 -16.890 -15.333 1.00 63.30 H new ATOM 0 HG3 GLU A 24 16.176 -16.775 -14.356 1.00 63.30 H new ATOM 400 N ASN A 25 12.567 -13.243 -14.173 1.00 74.14 N ATOM 401 CA ASN A 25 11.709 -12.167 -13.690 1.00 34.52 C ATOM 402 C ASN A 25 11.064 -12.543 -12.359 1.00 2.43 C ATOM 403 O ASN A 25 10.383 -13.564 -12.252 1.00 5.43 O ATOM 404 CB ASN A 25 10.625 -11.848 -14.722 1.00 21.13 C ATOM 405 CG ASN A 25 11.205 -11.393 -16.047 1.00 0.10 C ATOM 406 OD1 ASN A 25 11.758 -12.192 -16.802 1.00 63.24 O ATOM 407 ND2 ASN A 25 11.081 -10.103 -16.335 1.00 12.51 N ATOM 0 H ASN A 25 12.070 -14.096 -14.430 1.00 74.14 H new ATOM 0 HA ASN A 25 12.328 -11.283 -13.538 1.00 34.52 H new ATOM 0 HB2 ASN A 25 10.009 -12.732 -14.883 1.00 21.13 H new ATOM 0 HB3 ASN A 25 9.970 -11.070 -14.329 1.00 21.13 H new ATOM 0 HD21 ASN A 25 11.452 -9.738 -17.212 1.00 12.51 H new ATOM 0 HD22 ASN A 25 10.615 -9.477 -15.679 1.00 12.51 H new ATOM 414 N LEU A 26 11.283 -11.710 -11.347 1.00 33.23 N ATOM 415 CA LEU A 26 10.723 -11.953 -10.022 1.00 31.23 C ATOM 416 C LEU A 26 9.874 -10.771 -9.564 1.00 22.30 C ATOM 417 O LEU A 26 10.131 -9.627 -9.939 1.00 63.52 O ATOM 418 CB LEU A 26 11.843 -12.212 -9.013 1.00 21.42 C ATOM 419 CG LEU A 26 12.764 -13.394 -9.321 1.00 12.31 C ATOM 420 CD1 LEU A 26 14.018 -12.920 -10.038 1.00 4.10 C ATOM 421 CD2 LEU A 26 13.126 -14.135 -8.042 1.00 71.23 C ATOM 0 H LEU A 26 11.844 -10.861 -11.419 1.00 33.23 H new ATOM 0 HA LEU A 26 10.084 -12.834 -10.081 1.00 31.23 H new ATOM 0 HB2 LEU A 26 12.453 -11.312 -8.938 1.00 21.42 H new ATOM 0 HB3 LEU A 26 11.392 -12.374 -8.034 1.00 21.42 H new ATOM 0 HG LEU A 26 12.233 -14.083 -9.978 1.00 12.31 H new ATOM 0 HD11 LEU A 26 14.661 -13.774 -10.249 1.00 4.10 H new ATOM 0 HD12 LEU A 26 13.741 -12.435 -10.974 1.00 4.10 H new ATOM 0 HD13 LEU A 26 14.552 -12.211 -9.406 1.00 4.10 H new ATOM 0 HD21 LEU A 26 13.782 -14.973 -8.280 1.00 71.23 H new ATOM 0 HD22 LEU A 26 13.638 -13.456 -7.360 1.00 71.23 H new ATOM 0 HD23 LEU A 26 12.218 -14.508 -7.568 1.00 71.23 H new ATOM 433 N SER A 27 8.863 -11.056 -8.749 1.00 41.35 N ATOM 434 CA SER A 27 7.975 -10.016 -8.241 1.00 63.43 C ATOM 435 C SER A 27 8.265 -9.725 -6.772 1.00 33.41 C ATOM 436 O SER A 27 8.036 -10.569 -5.904 1.00 43.13 O ATOM 437 CB SER A 27 6.514 -10.436 -8.412 1.00 20.34 C ATOM 438 OG SER A 27 5.712 -9.340 -8.815 1.00 41.13 O ATOM 0 H SER A 27 8.638 -11.997 -8.427 1.00 41.35 H new ATOM 0 HA SER A 27 8.153 -9.107 -8.815 1.00 63.43 H new ATOM 0 HB2 SER A 27 6.446 -11.232 -9.153 1.00 20.34 H new ATOM 0 HB3 SER A 27 6.137 -10.841 -7.473 1.00 20.34 H new ATOM 0 HG SER A 27 6.056 -8.975 -9.657 1.00 41.13 H new ATOM 444 N ILE A 28 8.769 -8.526 -6.501 1.00 74.20 N ATOM 445 CA ILE A 28 9.088 -8.123 -5.137 1.00 44.23 C ATOM 446 C ILE A 28 7.827 -7.756 -4.362 1.00 63.34 C ATOM 447 O ILE A 28 6.878 -7.210 -4.925 1.00 13.22 O ATOM 448 CB ILE A 28 10.056 -6.925 -5.117 1.00 3.01 C ATOM 449 CG1 ILE A 28 11.371 -7.292 -5.809 1.00 13.41 C ATOM 450 CG2 ILE A 28 10.312 -6.475 -3.686 1.00 61.13 C ATOM 451 CD1 ILE A 28 12.386 -6.170 -5.811 1.00 30.24 C ATOM 0 H ILE A 28 8.965 -7.817 -7.208 1.00 74.20 H new ATOM 0 HA ILE A 28 9.568 -8.977 -4.660 1.00 44.23 H new ATOM 0 HB ILE A 28 9.599 -6.098 -5.661 1.00 3.01 H new ATOM 0 HG12 ILE A 28 11.803 -8.161 -5.313 1.00 13.41 H new ATOM 0 HG13 ILE A 28 11.162 -7.584 -6.838 1.00 13.41 H new ATOM 0 HG21 ILE A 28 10.998 -5.628 -3.688 1.00 61.13 H new ATOM 0 HG22 ILE A 28 9.370 -6.178 -3.224 1.00 61.13 H new ATOM 0 HG23 ILE A 28 10.751 -7.296 -3.120 1.00 61.13 H new ATOM 0 HD11 ILE A 28 13.293 -6.501 -6.318 1.00 30.24 H new ATOM 0 HD12 ILE A 28 11.973 -5.307 -6.333 1.00 30.24 H new ATOM 0 HD13 ILE A 28 12.624 -5.893 -4.784 1.00 30.24 H new ATOM 463 N CYS A 29 7.826 -8.059 -3.069 1.00 73.00 N ATOM 464 CA CYS A 29 6.681 -7.760 -2.215 1.00 62.53 C ATOM 465 C CYS A 29 7.077 -6.814 -1.087 1.00 20.13 C ATOM 466 O CYS A 29 6.275 -5.993 -0.642 1.00 25.11 O ATOM 467 CB CYS A 29 6.101 -9.051 -1.635 1.00 72.12 C ATOM 468 SG CYS A 29 5.842 -10.358 -2.857 1.00 75.41 S ATOM 0 H CYS A 29 8.604 -8.511 -2.589 1.00 73.00 H new ATOM 0 HA CYS A 29 5.921 -7.271 -2.825 1.00 62.53 H new ATOM 0 HB2 CYS A 29 6.771 -9.421 -0.859 1.00 72.12 H new ATOM 0 HB3 CYS A 29 5.150 -8.825 -1.153 1.00 72.12 H new ATOM 0 HG CYS A 29 5.351 -11.409 -2.271 1.00 75.41 H new ATOM 474 N ALA A 30 8.318 -6.936 -0.627 1.00 31.32 N ATOM 475 CA ALA A 30 8.820 -6.092 0.450 1.00 42.22 C ATOM 476 C ALA A 30 10.326 -6.260 0.622 1.00 0.23 C ATOM 477 O ALA A 30 10.944 -7.107 -0.023 1.00 23.32 O ATOM 478 CB ALA A 30 8.099 -6.411 1.751 1.00 1.21 C ATOM 0 H ALA A 30 8.994 -7.611 -0.984 1.00 31.32 H new ATOM 0 HA ALA A 30 8.625 -5.053 0.185 1.00 42.22 H new ATOM 0 HB1 ALA A 30 8.484 -5.773 2.546 1.00 1.21 H new ATOM 0 HB2 ALA A 30 7.031 -6.233 1.628 1.00 1.21 H new ATOM 0 HB3 ALA A 30 8.265 -7.456 2.012 1.00 1.21 H new ATOM 484 N HIS A 31 10.911 -5.447 1.496 1.00 4.11 N ATOM 485 CA HIS A 31 12.346 -5.506 1.753 1.00 11.11 C ATOM 486 C HIS A 31 12.623 -5.731 3.236 1.00 23.53 C ATOM 487 O HIS A 31 11.699 -5.803 4.047 1.00 63.11 O ATOM 488 CB HIS A 31 13.023 -4.217 1.286 1.00 14.20 C ATOM 489 CG HIS A 31 12.835 -3.067 2.227 1.00 54.21 C ATOM 490 ND1 HIS A 31 13.883 -2.429 2.855 1.00 24.33 N ATOM 491 CD2 HIS A 31 11.710 -2.439 2.644 1.00 44.21 C ATOM 492 CE1 HIS A 31 13.412 -1.460 3.619 1.00 24.15 C ATOM 493 NE2 HIS A 31 12.096 -1.444 3.509 1.00 64.33 N ATOM 0 H HIS A 31 10.414 -4.740 2.038 1.00 4.11 H new ATOM 0 HA HIS A 31 12.756 -6.346 1.193 1.00 11.11 H new ATOM 0 HB2 HIS A 31 14.090 -4.402 1.160 1.00 14.20 H new ATOM 0 HB3 HIS A 31 12.629 -3.943 0.307 1.00 14.20 H new ATOM 0 HD2 HIS A 31 10.698 -2.676 2.351 1.00 44.21 H new ATOM 0 HE1 HIS A 31 14.003 -0.794 4.230 1.00 24.15 H new ATOM 0 HE2 HIS A 31 11.469 -0.798 3.988 1.00 64.33 H new ATOM 501 N TYR A 32 13.900 -5.843 3.584 1.00 65.42 N ATOM 502 CA TYR A 32 14.299 -6.064 4.969 1.00 61.11 C ATOM 503 C TYR A 32 15.675 -5.463 5.242 1.00 34.32 C ATOM 504 O TYR A 32 16.697 -6.014 4.835 1.00 63.51 O ATOM 505 CB TYR A 32 14.312 -7.561 5.286 1.00 51.45 C ATOM 506 CG TYR A 32 14.516 -7.867 6.752 1.00 64.41 C ATOM 507 CD1 TYR A 32 15.768 -7.739 7.341 1.00 45.55 C ATOM 508 CD2 TYR A 32 13.458 -8.287 7.548 1.00 23.14 C ATOM 509 CE1 TYR A 32 15.960 -8.018 8.680 1.00 64.43 C ATOM 510 CE2 TYR A 32 13.641 -8.568 8.889 1.00 54.33 C ATOM 511 CZ TYR A 32 14.893 -8.432 9.450 1.00 64.24 C ATOM 512 OH TYR A 32 15.079 -8.712 10.784 1.00 24.10 O ATOM 0 H TYR A 32 14.677 -5.784 2.926 1.00 65.42 H new ATOM 0 HA TYR A 32 13.572 -5.569 5.613 1.00 61.11 H new ATOM 0 HB2 TYR A 32 13.370 -8.001 4.959 1.00 51.45 H new ATOM 0 HB3 TYR A 32 15.104 -8.039 4.710 1.00 51.45 H new ATOM 0 HD1 TYR A 32 16.606 -7.416 6.741 1.00 45.55 H new ATOM 0 HD2 TYR A 32 12.476 -8.396 7.112 1.00 23.14 H new ATOM 0 HE1 TYR A 32 16.940 -7.913 9.122 1.00 64.43 H new ATOM 0 HE2 TYR A 32 12.807 -8.892 9.494 1.00 54.33 H new ATOM 0 HH TYR A 32 14.227 -8.989 11.182 1.00 24.10 H new ATOM 522 N ASP A 33 15.691 -4.330 5.935 1.00 35.12 N ATOM 523 CA ASP A 33 16.939 -3.654 6.266 1.00 44.52 C ATOM 524 C ASP A 33 17.701 -3.270 5.001 1.00 53.51 C ATOM 525 O ASP A 33 18.899 -2.992 5.046 1.00 65.12 O ATOM 526 CB ASP A 33 17.811 -4.548 7.149 1.00 72.34 C ATOM 527 CG ASP A 33 17.539 -4.345 8.626 1.00 2.32 C ATOM 528 OD1 ASP A 33 16.643 -5.028 9.165 1.00 62.32 O ATOM 529 OD2 ASP A 33 18.223 -3.502 9.244 1.00 20.41 O ATOM 0 H ASP A 33 14.853 -3.860 6.278 1.00 35.12 H new ATOM 0 HA ASP A 33 16.695 -2.743 6.813 1.00 44.52 H new ATOM 0 HB2 ASP A 33 17.635 -5.592 6.890 1.00 72.34 H new ATOM 0 HB3 ASP A 33 18.862 -4.342 6.944 1.00 72.34 H new ATOM 534 N TYR A 34 16.997 -3.257 3.874 1.00 2.43 N ATOM 535 CA TYR A 34 17.607 -2.910 2.596 1.00 24.21 C ATOM 536 C TYR A 34 18.726 -3.886 2.244 1.00 32.30 C ATOM 537 O TYR A 34 19.601 -3.578 1.436 1.00 60.21 O ATOM 538 CB TYR A 34 18.156 -1.483 2.639 1.00 12.11 C ATOM 539 CG TYR A 34 17.174 -0.473 3.189 1.00 73.22 C ATOM 540 CD1 TYR A 34 17.080 -0.238 4.555 1.00 42.22 C ATOM 541 CD2 TYR A 34 16.340 0.246 2.342 1.00 53.24 C ATOM 542 CE1 TYR A 34 16.184 0.683 5.061 1.00 12.23 C ATOM 543 CE2 TYR A 34 15.441 1.170 2.839 1.00 3.31 C ATOM 544 CZ TYR A 34 15.367 1.385 4.200 1.00 72.25 C ATOM 545 OH TYR A 34 14.474 2.304 4.700 1.00 15.20 O ATOM 0 H TYR A 34 16.004 -3.483 3.820 1.00 2.43 H new ATOM 0 HA TYR A 34 16.838 -2.973 1.826 1.00 24.21 H new ATOM 0 HB2 TYR A 34 19.059 -1.468 3.249 1.00 12.11 H new ATOM 0 HB3 TYR A 34 18.446 -1.184 1.632 1.00 12.11 H new ATOM 0 HD1 TYR A 34 17.719 -0.785 5.233 1.00 42.22 H new ATOM 0 HD2 TYR A 34 16.395 0.080 1.276 1.00 53.24 H new ATOM 0 HE1 TYR A 34 16.123 0.853 6.126 1.00 12.23 H new ATOM 0 HE2 TYR A 34 14.800 1.721 2.166 1.00 3.31 H new ATOM 0 HH TYR A 34 13.976 2.711 3.961 1.00 15.20 H new ATOM 555 N GLU A 35 18.688 -5.065 2.857 1.00 22.31 N ATOM 556 CA GLU A 35 19.698 -6.087 2.609 1.00 64.12 C ATOM 557 C GLU A 35 19.069 -7.339 2.004 1.00 10.12 C ATOM 558 O GLU A 35 19.739 -8.116 1.324 1.00 34.53 O ATOM 559 CB GLU A 35 20.424 -6.444 3.908 1.00 63.45 C ATOM 560 CG GLU A 35 19.566 -6.279 5.150 1.00 34.21 C ATOM 561 CD GLU A 35 20.323 -6.586 6.428 1.00 52.34 C ATOM 562 OE1 GLU A 35 21.280 -5.847 6.741 1.00 61.13 O ATOM 563 OE2 GLU A 35 19.959 -7.563 7.114 1.00 71.43 O ATOM 0 H GLU A 35 17.969 -5.336 3.528 1.00 22.31 H new ATOM 0 HA GLU A 35 20.419 -5.684 1.897 1.00 64.12 H new ATOM 0 HB2 GLU A 35 20.769 -7.476 3.850 1.00 63.45 H new ATOM 0 HB3 GLU A 35 21.310 -5.817 4.003 1.00 63.45 H new ATOM 0 HG2 GLU A 35 19.188 -5.258 5.193 1.00 34.21 H new ATOM 0 HG3 GLU A 35 18.700 -6.937 5.078 1.00 34.21 H new ATOM 570 N TRP A 36 17.779 -7.526 2.258 1.00 71.32 N ATOM 571 CA TRP A 36 17.059 -8.684 1.739 1.00 14.24 C ATOM 572 C TRP A 36 15.739 -8.263 1.101 1.00 5.11 C ATOM 573 O TRP A 36 15.004 -7.444 1.654 1.00 24.50 O ATOM 574 CB TRP A 36 16.799 -9.692 2.860 1.00 75.13 C ATOM 575 CG TRP A 36 18.050 -10.164 3.537 1.00 52.33 C ATOM 576 CD1 TRP A 36 18.604 -9.659 4.678 1.00 2.31 C ATOM 577 CD2 TRP A 36 18.903 -11.233 3.113 1.00 15.11 C ATOM 578 NE1 TRP A 36 19.750 -10.350 4.989 1.00 4.45 N ATOM 579 CE2 TRP A 36 19.955 -11.321 4.046 1.00 53.15 C ATOM 580 CE3 TRP A 36 18.879 -12.126 2.038 1.00 14.34 C ATOM 581 CZ2 TRP A 36 20.972 -12.265 3.933 1.00 73.13 C ATOM 582 CZ3 TRP A 36 19.889 -13.062 1.928 1.00 71.03 C ATOM 583 CH2 TRP A 36 20.923 -13.127 2.871 1.00 44.44 C ATOM 0 H TRP A 36 17.210 -6.892 2.819 1.00 71.32 H new ATOM 0 HA TRP A 36 17.678 -9.153 0.974 1.00 14.24 H new ATOM 0 HB2 TRP A 36 16.142 -9.238 3.602 1.00 75.13 H new ATOM 0 HB3 TRP A 36 16.270 -10.552 2.450 1.00 75.13 H new ATOM 0 HD1 TRP A 36 18.201 -8.837 5.252 1.00 2.31 H new ATOM 0 HE1 TRP A 36 20.351 -10.169 5.793 1.00 4.45 H new ATOM 0 HE3 TRP A 36 18.085 -12.085 1.307 1.00 14.34 H new ATOM 0 HZ2 TRP A 36 21.771 -12.315 4.658 1.00 73.13 H new ATOM 0 HZ3 TRP A 36 19.881 -13.756 1.100 1.00 71.03 H new ATOM 0 HH2 TRP A 36 21.697 -13.872 2.758 1.00 44.44 H new ATOM 594 N PHE A 37 15.445 -8.827 -0.065 1.00 72.24 N ATOM 595 CA PHE A 37 14.214 -8.509 -0.779 1.00 74.21 C ATOM 596 C PHE A 37 13.339 -9.750 -0.934 1.00 50.13 C ATOM 597 O PHE A 37 13.815 -10.812 -1.337 1.00 44.53 O ATOM 598 CB PHE A 37 14.534 -7.922 -2.155 1.00 51.12 C ATOM 599 CG PHE A 37 14.292 -6.442 -2.247 1.00 34.43 C ATOM 600 CD1 PHE A 37 13.017 -5.924 -2.080 1.00 64.20 C ATOM 601 CD2 PHE A 37 15.338 -5.570 -2.499 1.00 11.11 C ATOM 602 CE1 PHE A 37 12.792 -4.563 -2.165 1.00 33.35 C ATOM 603 CE2 PHE A 37 15.118 -4.208 -2.584 1.00 43.11 C ATOM 604 CZ PHE A 37 13.843 -3.704 -2.416 1.00 25.04 C ATOM 0 H PHE A 37 16.042 -9.507 -0.536 1.00 72.24 H new ATOM 0 HA PHE A 37 13.666 -7.770 -0.195 1.00 74.21 H new ATOM 0 HB2 PHE A 37 15.577 -8.127 -2.395 1.00 51.12 H new ATOM 0 HB3 PHE A 37 13.929 -8.428 -2.907 1.00 51.12 H new ATOM 0 HD1 PHE A 37 12.191 -6.591 -1.881 1.00 64.20 H new ATOM 0 HD2 PHE A 37 16.337 -5.959 -2.631 1.00 11.11 H new ATOM 0 HE1 PHE A 37 11.794 -4.172 -2.035 1.00 33.35 H new ATOM 0 HE2 PHE A 37 15.942 -3.539 -2.782 1.00 43.11 H new ATOM 0 HZ PHE A 37 13.669 -2.640 -2.481 1.00 25.04 H new ATOM 614 N ILE A 38 12.058 -9.608 -0.611 1.00 41.41 N ATOM 615 CA ILE A 38 11.117 -10.716 -0.715 1.00 12.31 C ATOM 616 C ILE A 38 10.482 -10.770 -2.100 1.00 53.41 C ATOM 617 O ILE A 38 9.487 -10.095 -2.365 1.00 2.12 O ATOM 618 CB ILE A 38 10.004 -10.610 0.344 1.00 13.12 C ATOM 619 CG1 ILE A 38 10.588 -10.166 1.687 1.00 32.40 C ATOM 620 CG2 ILE A 38 9.281 -11.941 0.488 1.00 25.23 C ATOM 621 CD1 ILE A 38 11.693 -11.067 2.192 1.00 4.20 C ATOM 0 H ILE A 38 11.648 -8.736 -0.275 1.00 41.41 H new ATOM 0 HA ILE A 38 11.685 -11.630 -0.543 1.00 12.31 H new ATOM 0 HB ILE A 38 9.283 -9.861 0.018 1.00 13.12 H new ATOM 0 HG12 ILE A 38 10.974 -9.151 1.589 1.00 32.40 H new ATOM 0 HG13 ILE A 38 9.790 -10.133 2.428 1.00 32.40 H new ATOM 0 HG21 ILE A 38 8.497 -11.850 1.240 1.00 25.23 H new ATOM 0 HG22 ILE A 38 8.836 -12.219 -0.468 1.00 25.23 H new ATOM 0 HG23 ILE A 38 9.991 -12.709 0.795 1.00 25.23 H new ATOM 0 HD11 ILE A 38 12.060 -10.692 3.148 1.00 4.20 H new ATOM 0 HD12 ILE A 38 11.307 -12.078 2.323 1.00 4.20 H new ATOM 0 HD13 ILE A 38 12.510 -11.081 1.470 1.00 4.20 H new ATOM 633 N ALA A 39 11.062 -11.579 -2.980 1.00 44.43 N ATOM 634 CA ALA A 39 10.551 -11.724 -4.337 1.00 60.05 C ATOM 635 C ALA A 39 10.050 -13.143 -4.586 1.00 52.42 C ATOM 636 O ALA A 39 10.522 -14.097 -3.968 1.00 1.33 O ATOM 637 CB ALA A 39 11.627 -11.357 -5.349 1.00 31.41 C ATOM 0 H ALA A 39 11.886 -12.144 -2.777 1.00 44.43 H new ATOM 0 HA ALA A 39 9.709 -11.043 -4.456 1.00 60.05 H new ATOM 0 HB1 ALA A 39 11.231 -11.470 -6.358 1.00 31.41 H new ATOM 0 HB2 ALA A 39 11.935 -10.323 -5.194 1.00 31.41 H new ATOM 0 HB3 ALA A 39 12.487 -12.015 -5.221 1.00 31.41 H new ATOM 643 N LYS A 40 9.090 -13.275 -5.495 1.00 53.00 N ATOM 644 CA LYS A 40 8.524 -14.577 -5.827 1.00 33.13 C ATOM 645 C LYS A 40 8.678 -14.874 -7.315 1.00 33.21 C ATOM 646 O LYS A 40 8.818 -13.972 -8.141 1.00 62.32 O ATOM 647 CB LYS A 40 7.045 -14.628 -5.436 1.00 70.00 C ATOM 648 CG LYS A 40 6.276 -13.370 -5.801 1.00 72.32 C ATOM 649 CD LYS A 40 4.808 -13.669 -6.056 1.00 52.42 C ATOM 650 CE LYS A 40 4.075 -14.005 -4.766 1.00 42.14 C ATOM 651 NZ LYS A 40 3.563 -12.784 -4.085 1.00 1.21 N ATOM 0 H LYS A 40 8.687 -12.496 -6.015 1.00 53.00 H new ATOM 0 HA LYS A 40 9.068 -15.336 -5.265 1.00 33.13 H new ATOM 0 HB2 LYS A 40 6.578 -15.484 -5.924 1.00 70.00 H new ATOM 0 HB3 LYS A 40 6.967 -14.792 -4.361 1.00 70.00 H new ATOM 0 HG2 LYS A 40 6.365 -12.641 -4.996 1.00 72.32 H new ATOM 0 HG3 LYS A 40 6.716 -12.918 -6.690 1.00 72.32 H new ATOM 0 HD2 LYS A 40 4.337 -12.807 -6.529 1.00 52.42 H new ATOM 0 HD3 LYS A 40 4.721 -14.503 -6.753 1.00 52.42 H new ATOM 0 HE2 LYS A 40 3.243 -14.675 -4.985 1.00 42.14 H new ATOM 0 HE3 LYS A 40 4.747 -14.540 -4.095 1.00 42.14 H new ATOM 0 HZ1 LYS A 40 3.012 -13.059 -3.247 1.00 1.21 H new ATOM 0 HZ2 LYS A 40 4.364 -12.188 -3.793 1.00 1.21 H new ATOM 0 HZ3 LYS A 40 2.955 -12.251 -4.739 1.00 1.21 H new ATOM 665 N PRO A 41 8.650 -16.168 -7.667 1.00 75.10 N ATOM 666 CA PRO A 41 8.782 -16.613 -9.057 1.00 64.34 C ATOM 667 C PRO A 41 7.562 -16.256 -9.899 1.00 63.45 C ATOM 668 O PRO A 41 6.424 -16.417 -9.459 1.00 32.43 O ATOM 669 CB PRO A 41 8.920 -18.133 -8.932 1.00 14.32 C ATOM 670 CG PRO A 41 8.247 -18.469 -7.646 1.00 12.22 C ATOM 671 CD PRO A 41 8.485 -17.296 -6.735 1.00 22.30 C ATOM 0 HA PRO A 41 9.623 -16.135 -9.559 1.00 64.34 H new ATOM 0 HB2 PRO A 41 8.448 -18.644 -9.771 1.00 14.32 H new ATOM 0 HB3 PRO A 41 9.967 -18.436 -8.922 1.00 14.32 H new ATOM 0 HG2 PRO A 41 7.180 -18.637 -7.796 1.00 12.22 H new ATOM 0 HG3 PRO A 41 8.657 -19.384 -7.219 1.00 12.22 H new ATOM 0 HD2 PRO A 41 7.647 -17.137 -6.057 1.00 22.30 H new ATOM 0 HD3 PRO A 41 9.372 -17.440 -6.118 1.00 22.30 H new ATOM 679 N ILE A 42 7.807 -15.772 -11.112 1.00 43.02 N ATOM 680 CA ILE A 42 6.728 -15.394 -12.016 1.00 32.22 C ATOM 681 C ILE A 42 6.571 -16.411 -13.141 1.00 64.50 C ATOM 682 O ILE A 42 5.458 -16.807 -13.483 1.00 60.22 O ATOM 683 CB ILE A 42 6.967 -14.001 -12.628 1.00 24.41 C ATOM 684 CG1 ILE A 42 7.107 -12.952 -11.523 1.00 63.01 C ATOM 685 CG2 ILE A 42 5.832 -13.636 -13.573 1.00 5.43 C ATOM 686 CD1 ILE A 42 7.427 -11.568 -12.042 1.00 3.42 C ATOM 0 H ILE A 42 8.743 -15.632 -11.491 1.00 43.02 H new ATOM 0 HA ILE A 42 5.814 -15.369 -11.422 1.00 32.22 H new ATOM 0 HB ILE A 42 7.895 -14.025 -13.199 1.00 24.41 H new ATOM 0 HG12 ILE A 42 6.180 -12.912 -10.952 1.00 63.01 H new ATOM 0 HG13 ILE A 42 7.892 -13.264 -10.834 1.00 63.01 H new ATOM 0 HG21 ILE A 42 6.015 -12.649 -13.998 1.00 5.43 H new ATOM 0 HG22 ILE A 42 5.776 -14.371 -14.376 1.00 5.43 H new ATOM 0 HG23 ILE A 42 4.890 -13.626 -13.024 1.00 5.43 H new ATOM 0 HD11 ILE A 42 7.512 -10.876 -11.204 1.00 3.42 H new ATOM 0 HD12 ILE A 42 8.370 -11.593 -12.589 1.00 3.42 H new ATOM 0 HD13 ILE A 42 6.630 -11.236 -12.708 1.00 3.42 H new ATOM 769 N PRO A 47 6.454 -17.977 -2.863 1.00 35.20 N ATOM 770 CA PRO A 47 7.327 -16.866 -2.473 1.00 60.33 C ATOM 771 C PRO A 47 8.511 -17.328 -1.631 1.00 64.01 C ATOM 772 O PRO A 47 8.373 -18.198 -0.773 1.00 23.25 O ATOM 773 CB PRO A 47 6.406 -15.962 -1.650 1.00 73.44 C ATOM 774 CG PRO A 47 5.353 -16.875 -1.123 1.00 15.40 C ATOM 775 CD PRO A 47 5.151 -17.928 -2.177 1.00 25.11 C ATOM 0 HA PRO A 47 7.769 -16.372 -3.338 1.00 60.33 H new ATOM 0 HB2 PRO A 47 6.949 -15.475 -0.840 1.00 73.44 H new ATOM 0 HB3 PRO A 47 5.974 -15.172 -2.264 1.00 73.44 H new ATOM 0 HG2 PRO A 47 5.662 -17.323 -0.179 1.00 15.40 H new ATOM 0 HG3 PRO A 47 4.427 -16.333 -0.931 1.00 15.40 H new ATOM 0 HD2 PRO A 47 4.891 -18.891 -1.738 1.00 25.11 H new ATOM 0 HD3 PRO A 47 4.346 -17.662 -2.862 1.00 25.11 H new ATOM 783 N GLY A 48 9.676 -16.739 -1.883 1.00 4.53 N ATOM 784 CA GLY A 48 10.868 -17.103 -1.139 1.00 10.34 C ATOM 785 C GLY A 48 11.593 -15.895 -0.579 1.00 24.45 C ATOM 786 O GLY A 48 10.966 -14.965 -0.071 1.00 52.44 O ATOM 0 H GLY A 48 9.816 -16.016 -2.589 1.00 4.53 H new ATOM 0 HA2 GLY A 48 10.593 -17.769 -0.321 1.00 10.34 H new ATOM 0 HA3 GLY A 48 11.543 -17.659 -1.790 1.00 10.34 H new ATOM 790 N LEU A 49 12.919 -15.910 -0.668 1.00 13.40 N ATOM 791 CA LEU A 49 13.731 -14.808 -0.164 1.00 44.34 C ATOM 792 C LEU A 49 15.000 -14.643 -0.995 1.00 23.13 C ATOM 793 O LEU A 49 15.756 -15.595 -1.189 1.00 31.54 O ATOM 794 CB LEU A 49 14.095 -15.045 1.302 1.00 22.23 C ATOM 795 CG LEU A 49 14.185 -13.798 2.182 1.00 44.20 C ATOM 796 CD1 LEU A 49 13.777 -14.121 3.611 1.00 71.43 C ATOM 797 CD2 LEU A 49 15.593 -13.220 2.146 1.00 72.14 C ATOM 0 H LEU A 49 13.454 -16.672 -1.084 1.00 13.40 H new ATOM 0 HA LEU A 49 13.145 -13.892 -0.242 1.00 44.34 H new ATOM 0 HB2 LEU A 49 13.355 -15.718 1.735 1.00 22.23 H new ATOM 0 HB3 LEU A 49 15.055 -15.561 1.338 1.00 22.23 H new ATOM 0 HG LEU A 49 13.496 -13.050 1.789 1.00 44.20 H new ATOM 0 HD11 LEU A 49 13.848 -13.221 4.222 1.00 71.43 H new ATOM 0 HD12 LEU A 49 12.751 -14.488 3.622 1.00 71.43 H new ATOM 0 HD13 LEU A 49 14.440 -14.886 4.015 1.00 71.43 H new ATOM 0 HD21 LEU A 49 15.638 -12.333 2.778 1.00 72.14 H new ATOM 0 HD22 LEU A 49 16.301 -13.963 2.513 1.00 72.14 H new ATOM 0 HD23 LEU A 49 15.849 -12.949 1.122 1.00 72.14 H new ATOM 809 N VAL A 50 15.229 -13.428 -1.481 1.00 43.54 N ATOM 810 CA VAL A 50 16.409 -13.137 -2.288 1.00 55.31 C ATOM 811 C VAL A 50 17.042 -11.812 -1.878 1.00 54.23 C ATOM 812 O VAL A 50 16.364 -10.798 -1.709 1.00 3.30 O ATOM 813 CB VAL A 50 16.064 -13.086 -3.788 1.00 73.14 C ATOM 814 CG1 VAL A 50 15.012 -12.021 -4.059 1.00 42.21 C ATOM 815 CG2 VAL A 50 17.316 -12.833 -4.614 1.00 51.12 C ATOM 0 H VAL A 50 14.613 -12.629 -1.330 1.00 43.54 H new ATOM 0 HA VAL A 50 17.119 -13.945 -2.113 1.00 55.31 H new ATOM 0 HB VAL A 50 15.652 -14.052 -4.081 1.00 73.14 H new ATOM 0 HG11 VAL A 50 14.781 -12.000 -5.124 1.00 42.21 H new ATOM 0 HG12 VAL A 50 14.107 -12.252 -3.496 1.00 42.21 H new ATOM 0 HG13 VAL A 50 15.392 -11.047 -3.751 1.00 42.21 H new ATOM 0 HG21 VAL A 50 17.054 -12.800 -5.671 1.00 51.12 H new ATOM 0 HG22 VAL A 50 17.760 -11.882 -4.320 1.00 51.12 H new ATOM 0 HG23 VAL A 50 18.033 -13.636 -4.443 1.00 51.12 H new ATOM 825 N PRO A 51 18.373 -11.818 -1.715 1.00 51.40 N ATOM 826 CA PRO A 51 19.128 -10.623 -1.324 1.00 73.40 C ATOM 827 C PRO A 51 19.170 -9.576 -2.431 1.00 52.13 C ATOM 828 O PRO A 51 18.977 -9.891 -3.606 1.00 23.23 O ATOM 829 CB PRO A 51 20.532 -11.166 -1.048 1.00 21.14 C ATOM 830 CG PRO A 51 20.628 -12.404 -1.870 1.00 64.34 C ATOM 831 CD PRO A 51 19.244 -12.990 -1.900 1.00 71.41 C ATOM 0 HA PRO A 51 18.676 -10.116 -0.471 1.00 73.40 H new ATOM 0 HB2 PRO A 51 21.298 -10.444 -1.329 1.00 21.14 H new ATOM 0 HB3 PRO A 51 20.672 -11.382 0.011 1.00 21.14 H new ATOM 0 HG2 PRO A 51 20.978 -12.177 -2.877 1.00 64.34 H new ATOM 0 HG3 PRO A 51 21.340 -13.106 -1.436 1.00 64.34 H new ATOM 0 HD2 PRO A 51 19.042 -13.496 -2.844 1.00 71.41 H new ATOM 0 HD3 PRO A 51 19.102 -13.725 -1.108 1.00 71.41 H new ATOM 839 N VAL A 52 19.423 -8.328 -2.050 1.00 4.01 N ATOM 840 CA VAL A 52 19.492 -7.234 -3.011 1.00 44.21 C ATOM 841 C VAL A 52 20.734 -7.350 -3.888 1.00 70.31 C ATOM 842 O VAL A 52 20.794 -6.777 -4.976 1.00 5.34 O ATOM 843 CB VAL A 52 19.503 -5.865 -2.304 1.00 62.51 C ATOM 844 CG1 VAL A 52 19.242 -4.747 -3.301 1.00 51.03 C ATOM 845 CG2 VAL A 52 18.479 -5.839 -1.180 1.00 55.01 C ATOM 0 H VAL A 52 19.584 -8.049 -1.082 1.00 4.01 H new ATOM 0 HA VAL A 52 18.601 -7.305 -3.635 1.00 44.21 H new ATOM 0 HB VAL A 52 20.490 -5.707 -1.869 1.00 62.51 H new ATOM 0 HG11 VAL A 52 19.254 -3.788 -2.783 1.00 51.03 H new ATOM 0 HG12 VAL A 52 20.017 -4.755 -4.068 1.00 51.03 H new ATOM 0 HG13 VAL A 52 18.268 -4.896 -3.768 1.00 51.03 H new ATOM 0 HG21 VAL A 52 18.500 -4.865 -0.691 1.00 55.01 H new ATOM 0 HG22 VAL A 52 17.485 -6.018 -1.589 1.00 55.01 H new ATOM 0 HG23 VAL A 52 18.717 -6.615 -0.453 1.00 55.01 H new ATOM 855 N SER A 53 21.723 -8.097 -3.408 1.00 20.31 N ATOM 856 CA SER A 53 22.966 -8.287 -4.147 1.00 12.13 C ATOM 857 C SER A 53 22.804 -9.365 -5.214 1.00 42.22 C ATOM 858 O SER A 53 23.761 -9.723 -5.901 1.00 5.12 O ATOM 859 CB SER A 53 24.099 -8.665 -3.191 1.00 62.22 C ATOM 860 OG SER A 53 24.532 -7.542 -2.444 1.00 2.05 O ATOM 0 H SER A 53 21.688 -8.581 -2.511 1.00 20.31 H new ATOM 0 HA SER A 53 23.215 -7.347 -4.640 1.00 12.13 H new ATOM 0 HB2 SER A 53 23.761 -9.448 -2.513 1.00 62.22 H new ATOM 0 HB3 SER A 53 24.936 -9.074 -3.757 1.00 62.22 H new ATOM 0 HG SER A 53 25.079 -7.843 -1.689 1.00 2.05 H new ATOM 866 N TYR A 54 21.586 -9.878 -5.348 1.00 24.13 N ATOM 867 CA TYR A 54 21.298 -10.917 -6.329 1.00 62.03 C ATOM 868 C TYR A 54 20.047 -10.576 -7.132 1.00 52.34 C ATOM 869 O TYR A 54 19.404 -11.455 -7.707 1.00 3.12 O ATOM 870 CB TYR A 54 21.119 -12.268 -5.635 1.00 65.32 C ATOM 871 CG TYR A 54 22.417 -12.880 -5.158 1.00 62.43 C ATOM 872 CD1 TYR A 54 23.165 -12.276 -4.155 1.00 64.51 C ATOM 873 CD2 TYR A 54 22.896 -14.062 -5.711 1.00 52.32 C ATOM 874 CE1 TYR A 54 24.352 -12.832 -3.717 1.00 0.45 C ATOM 875 CE2 TYR A 54 24.080 -14.625 -5.278 1.00 4.31 C ATOM 876 CZ TYR A 54 24.805 -14.006 -4.281 1.00 0.13 C ATOM 877 OH TYR A 54 25.986 -14.563 -3.847 1.00 44.23 O ATOM 0 H TYR A 54 20.782 -9.591 -4.789 1.00 24.13 H new ATOM 0 HA TYR A 54 22.143 -10.978 -7.015 1.00 62.03 H new ATOM 0 HB2 TYR A 54 20.451 -12.144 -4.783 1.00 65.32 H new ATOM 0 HB3 TYR A 54 20.632 -12.959 -6.323 1.00 65.32 H new ATOM 0 HD1 TYR A 54 22.813 -11.357 -3.710 1.00 64.51 H new ATOM 0 HD2 TYR A 54 22.332 -14.549 -6.493 1.00 52.32 H new ATOM 0 HE1 TYR A 54 24.922 -12.349 -2.937 1.00 0.45 H new ATOM 0 HE2 TYR A 54 24.437 -15.545 -5.717 1.00 4.31 H new ATOM 0 HH TYR A 54 26.161 -15.388 -4.346 1.00 44.23 H new ATOM 887 N VAL A 55 19.707 -9.291 -7.168 1.00 74.22 N ATOM 888 CA VAL A 55 18.534 -8.831 -7.902 1.00 34.13 C ATOM 889 C VAL A 55 18.709 -7.392 -8.373 1.00 5.13 C ATOM 890 O VAL A 55 19.541 -6.653 -7.846 1.00 2.12 O ATOM 891 CB VAL A 55 17.260 -8.926 -7.040 1.00 42.24 C ATOM 892 CG1 VAL A 55 16.902 -10.380 -6.775 1.00 74.02 C ATOM 893 CG2 VAL A 55 17.443 -8.167 -5.735 1.00 12.50 C ATOM 0 H VAL A 55 20.227 -8.550 -6.697 1.00 74.22 H new ATOM 0 HA VAL A 55 18.428 -9.483 -8.769 1.00 34.13 H new ATOM 0 HB VAL A 55 16.436 -8.468 -7.588 1.00 42.24 H new ATOM 0 HG11 VAL A 55 16.000 -10.427 -6.165 1.00 74.02 H new ATOM 0 HG12 VAL A 55 16.727 -10.890 -7.722 1.00 74.02 H new ATOM 0 HG13 VAL A 55 17.723 -10.866 -6.248 1.00 74.02 H new ATOM 0 HG21 VAL A 55 16.534 -8.244 -5.139 1.00 12.50 H new ATOM 0 HG22 VAL A 55 18.279 -8.594 -5.180 1.00 12.50 H new ATOM 0 HG23 VAL A 55 17.648 -7.118 -5.950 1.00 12.50 H new ATOM 903 N ARG A 56 17.921 -7.000 -9.368 1.00 34.11 N ATOM 904 CA ARG A 56 17.989 -5.649 -9.911 1.00 5.11 C ATOM 905 C ARG A 56 16.608 -5.001 -9.932 1.00 43.54 C ATOM 906 O ARG A 56 15.683 -5.508 -10.567 1.00 65.24 O ATOM 907 CB ARG A 56 18.575 -5.673 -11.324 1.00 22.41 C ATOM 908 CG ARG A 56 18.378 -4.374 -12.088 1.00 32.24 C ATOM 909 CD ARG A 56 19.268 -4.311 -13.319 1.00 4.35 C ATOM 910 NE ARG A 56 19.085 -5.470 -14.187 1.00 73.05 N ATOM 911 CZ ARG A 56 19.419 -5.485 -15.473 1.00 21.31 C ATOM 912 NH1 ARG A 56 19.952 -4.410 -16.036 1.00 2.45 N ATOM 913 NH2 ARG A 56 19.221 -6.579 -16.198 1.00 40.43 N ATOM 0 H ARG A 56 17.227 -7.599 -9.815 1.00 34.11 H new ATOM 0 HA ARG A 56 18.639 -5.058 -9.266 1.00 5.11 H new ATOM 0 HB2 ARG A 56 19.641 -5.890 -11.262 1.00 22.41 H new ATOM 0 HB3 ARG A 56 18.116 -6.487 -11.885 1.00 22.41 H new ATOM 0 HG2 ARG A 56 17.334 -4.282 -12.387 1.00 32.24 H new ATOM 0 HG3 ARG A 56 18.598 -3.530 -11.435 1.00 32.24 H new ATOM 0 HD2 ARG A 56 19.049 -3.401 -13.878 1.00 4.35 H new ATOM 0 HD3 ARG A 56 20.311 -4.251 -13.009 1.00 4.35 H new ATOM 0 HE ARG A 56 18.679 -6.315 -13.784 1.00 73.05 H new ATOM 0 HH11 ARG A 56 20.107 -3.568 -15.482 1.00 2.45 H new ATOM 0 HH12 ARG A 56 20.207 -4.425 -17.023 1.00 2.45 H new ATOM 0 HH21 ARG A 56 18.812 -7.409 -15.768 1.00 40.43 H new ATOM 0 HH22 ARG A 56 19.478 -6.590 -17.185 1.00 40.43 H new ATOM 927 N ILE A 57 16.477 -3.878 -9.235 1.00 13.54 N ATOM 928 CA ILE A 57 15.209 -3.160 -9.174 1.00 62.34 C ATOM 929 C ILE A 57 14.901 -2.477 -10.502 1.00 52.32 C ATOM 930 O ILE A 57 15.690 -1.670 -10.994 1.00 51.42 O ATOM 931 CB ILE A 57 15.213 -2.103 -8.054 1.00 62.14 C ATOM 932 CG1 ILE A 57 15.496 -2.762 -6.703 1.00 3.43 C ATOM 933 CG2 ILE A 57 13.885 -1.362 -8.021 1.00 11.01 C ATOM 934 CD1 ILE A 57 14.419 -3.729 -6.264 1.00 51.51 C ATOM 0 H ILE A 57 17.233 -3.445 -8.704 1.00 13.54 H new ATOM 0 HA ILE A 57 14.437 -3.899 -8.960 1.00 62.34 H new ATOM 0 HB ILE A 57 16.004 -1.381 -8.258 1.00 62.14 H new ATOM 0 HG12 ILE A 57 16.447 -3.291 -6.758 1.00 3.43 H new ATOM 0 HG13 ILE A 57 15.607 -1.986 -5.946 1.00 3.43 H new ATOM 0 HG21 ILE A 57 13.903 -0.618 -7.224 1.00 11.01 H new ATOM 0 HG22 ILE A 57 13.722 -0.865 -8.977 1.00 11.01 H new ATOM 0 HG23 ILE A 57 13.077 -2.071 -7.838 1.00 11.01 H new ATOM 0 HD11 ILE A 57 14.687 -4.158 -5.298 1.00 51.51 H new ATOM 0 HD12 ILE A 57 13.470 -3.201 -6.176 1.00 51.51 H new ATOM 0 HD13 ILE A 57 14.323 -4.526 -7.001 1.00 51.51 H new ATOM 946 N ILE A 58 13.748 -2.804 -11.076 1.00 71.10 N ATOM 947 CA ILE A 58 13.334 -2.219 -12.345 1.00 71.34 C ATOM 948 C ILE A 58 11.834 -1.945 -12.361 1.00 71.42 C ATOM 949 O ILE A 58 11.110 -2.345 -11.449 1.00 51.11 O ATOM 950 CB ILE A 58 13.689 -3.137 -13.530 1.00 43.33 C ATOM 951 CG1 ILE A 58 13.236 -4.570 -13.248 1.00 33.44 C ATOM 952 CG2 ILE A 58 15.185 -3.093 -13.804 1.00 42.20 C ATOM 953 CD1 ILE A 58 13.303 -5.475 -14.458 1.00 32.21 C ATOM 0 H ILE A 58 13.084 -3.471 -10.682 1.00 71.10 H new ATOM 0 HA ILE A 58 13.874 -1.278 -12.450 1.00 71.34 H new ATOM 0 HB ILE A 58 13.166 -2.779 -14.417 1.00 43.33 H new ATOM 0 HG12 ILE A 58 13.857 -4.989 -12.456 1.00 33.44 H new ATOM 0 HG13 ILE A 58 12.212 -4.552 -12.874 1.00 33.44 H new ATOM 0 HG21 ILE A 58 15.420 -3.747 -14.644 1.00 42.20 H new ATOM 0 HG22 ILE A 58 15.481 -2.072 -14.045 1.00 42.20 H new ATOM 0 HG23 ILE A 58 15.727 -3.429 -12.920 1.00 42.20 H new ATOM 0 HD11 ILE A 58 12.967 -6.475 -14.183 1.00 32.21 H new ATOM 0 HD12 ILE A 58 12.660 -5.079 -15.244 1.00 32.21 H new ATOM 0 HD13 ILE A 58 14.330 -5.524 -14.819 1.00 32.21 H new ATOM 965 N ASP A 59 11.374 -1.263 -13.404 1.00 73.20 N ATOM 966 CA ASP A 59 9.959 -0.938 -13.541 1.00 32.01 C ATOM 967 C ASP A 59 9.380 -1.554 -14.811 1.00 30.01 C ATOM 968 O ASP A 59 9.940 -1.403 -15.898 1.00 15.12 O ATOM 969 CB ASP A 59 9.762 0.579 -13.559 1.00 74.42 C ATOM 970 CG ASP A 59 8.303 0.971 -13.683 1.00 55.24 C ATOM 971 OD1 ASP A 59 7.434 0.099 -13.474 1.00 70.03 O ATOM 972 OD2 ASP A 59 8.029 2.151 -13.991 1.00 22.43 O ATOM 0 H ASP A 59 11.960 -0.924 -14.167 1.00 73.20 H new ATOM 0 HA ASP A 59 9.431 -1.355 -12.684 1.00 32.01 H new ATOM 0 HB2 ASP A 59 10.174 1.007 -12.645 1.00 74.42 H new ATOM 0 HB3 ASP A 59 10.322 1.005 -14.391 1.00 74.42 H new ATOM 977 N LEU A 60 8.257 -2.249 -14.666 1.00 64.53 N ATOM 978 CA LEU A 60 7.603 -2.890 -15.802 1.00 14.12 C ATOM 979 C LEU A 60 7.353 -1.887 -16.923 1.00 52.42 C ATOM 980 O LEU A 60 7.301 -2.253 -18.097 1.00 21.11 O ATOM 981 CB LEU A 60 6.280 -3.522 -15.363 1.00 43.33 C ATOM 982 CG LEU A 60 6.373 -4.925 -14.764 1.00 23.24 C ATOM 983 CD1 LEU A 60 5.000 -5.410 -14.325 1.00 24.15 C ATOM 984 CD2 LEU A 60 6.988 -5.893 -15.764 1.00 72.03 C ATOM 0 H LEU A 60 7.781 -2.383 -13.774 1.00 64.53 H new ATOM 0 HA LEU A 60 8.265 -3.670 -16.179 1.00 14.12 H new ATOM 0 HB2 LEU A 60 5.813 -2.866 -14.629 1.00 43.33 H new ATOM 0 HB3 LEU A 60 5.615 -3.560 -16.226 1.00 43.33 H new ATOM 0 HG LEU A 60 7.018 -4.882 -13.887 1.00 23.24 H new ATOM 0 HD11 LEU A 60 5.086 -6.411 -13.901 1.00 24.15 H new ATOM 0 HD12 LEU A 60 4.597 -4.731 -13.574 1.00 24.15 H new ATOM 0 HD13 LEU A 60 4.331 -5.437 -15.185 1.00 24.15 H new ATOM 0 HD21 LEU A 60 7.046 -6.887 -15.320 1.00 72.03 H new ATOM 0 HD22 LEU A 60 6.369 -5.932 -16.661 1.00 72.03 H new ATOM 0 HD23 LEU A 60 7.990 -5.555 -16.029 1.00 72.03 H new ATOM 996 N MET A 61 7.201 -0.619 -16.553 1.00 74.23 N ATOM 997 CA MET A 61 6.960 0.438 -17.529 1.00 71.50 C ATOM 998 C MET A 61 8.276 1.003 -18.054 1.00 12.24 C ATOM 999 O MET A 61 8.363 1.431 -19.205 1.00 3.03 O ATOM 1000 CB MET A 61 6.123 1.556 -16.905 1.00 41.11 C ATOM 1001 CG MET A 61 4.940 1.051 -16.095 1.00 63.41 C ATOM 1002 SD MET A 61 3.730 0.175 -17.105 1.00 25.51 S ATOM 1003 CE MET A 61 4.029 -1.518 -16.599 1.00 42.43 C ATOM 0 H MET A 61 7.240 -0.299 -15.585 1.00 74.23 H new ATOM 0 HA MET A 61 6.411 0.008 -18.366 1.00 71.50 H new ATOM 0 HB2 MET A 61 6.762 2.161 -16.261 1.00 41.11 H new ATOM 0 HB3 MET A 61 5.758 2.210 -17.697 1.00 41.11 H new ATOM 0 HG2 MET A 61 5.300 0.387 -15.309 1.00 63.41 H new ATOM 0 HG3 MET A 61 4.455 1.894 -15.603 1.00 63.41 H new ATOM 0 HE1 MET A 61 3.077 -2.018 -16.421 1.00 42.43 H new ATOM 0 HE2 MET A 61 4.573 -2.042 -17.385 1.00 42.43 H new ATOM 0 HE3 MET A 61 4.619 -1.525 -15.683 1.00 42.43 H new ATOM 1013 N ASP A 62 9.296 1.002 -17.203 1.00 11.43 N ATOM 1014 CA ASP A 62 10.608 1.515 -17.581 1.00 73.12 C ATOM 1015 C ASP A 62 11.718 0.627 -17.029 1.00 21.22 C ATOM 1016 O ASP A 62 12.414 0.981 -16.077 1.00 22.10 O ATOM 1017 CB ASP A 62 10.784 2.948 -17.076 1.00 24.45 C ATOM 1018 CG ASP A 62 9.500 3.750 -17.149 1.00 21.24 C ATOM 1019 OD1 ASP A 62 9.128 4.175 -18.263 1.00 4.45 O ATOM 1020 OD2 ASP A 62 8.866 3.951 -16.092 1.00 1.40 O ATOM 0 H ASP A 62 9.240 0.652 -16.247 1.00 11.43 H new ATOM 0 HA ASP A 62 10.673 1.512 -18.669 1.00 73.12 H new ATOM 0 HB2 ASP A 62 11.137 2.926 -16.045 1.00 24.45 H new ATOM 0 HB3 ASP A 62 11.554 3.446 -17.666 1.00 24.45 H new ATOM 1025 N PRO A 63 11.889 -0.556 -17.638 1.00 14.00 N ATOM 1026 CA PRO A 63 12.913 -1.520 -17.224 1.00 14.44 C ATOM 1027 C PRO A 63 14.324 -1.040 -17.545 1.00 51.01 C ATOM 1028 O PRO A 63 15.307 -1.650 -17.127 1.00 23.21 O ATOM 1029 CB PRO A 63 12.574 -2.770 -18.039 1.00 51.12 C ATOM 1030 CG PRO A 63 11.855 -2.256 -19.239 1.00 24.31 C ATOM 1031 CD PRO A 63 11.095 -1.043 -18.779 1.00 20.54 C ATOM 0 HA PRO A 63 12.907 -1.683 -16.146 1.00 14.44 H new ATOM 0 HB2 PRO A 63 13.475 -3.315 -18.321 1.00 51.12 H new ATOM 0 HB3 PRO A 63 11.950 -3.458 -17.468 1.00 51.12 H new ATOM 0 HG2 PRO A 63 12.556 -1.999 -20.033 1.00 24.31 H new ATOM 0 HG3 PRO A 63 11.179 -3.010 -19.642 1.00 24.31 H new ATOM 0 HD2 PRO A 63 11.021 -0.293 -19.566 1.00 20.54 H new ATOM 0 HD3 PRO A 63 10.077 -1.295 -18.482 1.00 20.54 H new ATOM 1039 N ALA A 64 14.416 0.057 -18.290 1.00 72.32 N ATOM 1040 CA ALA A 64 15.707 0.619 -18.665 1.00 41.34 C ATOM 1041 C ALA A 64 16.035 1.849 -17.825 1.00 23.31 C ATOM 1042 O ALA A 64 17.170 2.327 -17.822 1.00 30.34 O ATOM 1043 CB ALA A 64 15.720 0.971 -20.146 1.00 35.13 C ATOM 0 H ALA A 64 13.612 0.574 -18.645 1.00 72.32 H new ATOM 0 HA ALA A 64 16.472 -0.134 -18.475 1.00 41.34 H new ATOM 0 HB1 ALA A 64 16.691 1.390 -20.412 1.00 35.13 H new ATOM 0 HB2 ALA A 64 15.539 0.072 -20.735 1.00 35.13 H new ATOM 0 HB3 ALA A 64 14.940 1.704 -20.353 1.00 35.13 H new ATOM 1049 N LYS A 65 15.035 2.357 -17.113 1.00 42.33 N ATOM 1050 CA LYS A 65 15.217 3.531 -16.268 1.00 12.23 C ATOM 1051 C LYS A 65 15.974 3.172 -14.993 1.00 71.12 C ATOM 1052 O LYS A 65 16.971 3.808 -14.652 1.00 11.53 O ATOM 1053 CB LYS A 65 13.860 4.144 -15.912 1.00 62.12 C ATOM 1054 CG LYS A 65 13.944 5.597 -15.479 1.00 51.44 C ATOM 1055 CD LYS A 65 12.667 6.048 -14.790 1.00 1.30 C ATOM 1056 CE LYS A 65 11.478 6.010 -15.738 1.00 23.41 C ATOM 1057 NZ LYS A 65 10.539 7.140 -15.496 1.00 62.13 N ATOM 0 H LYS A 65 14.090 1.974 -17.104 1.00 42.33 H new ATOM 0 HA LYS A 65 15.804 4.261 -16.825 1.00 12.23 H new ATOM 0 HB2 LYS A 65 13.199 4.069 -16.775 1.00 62.12 H new ATOM 0 HB3 LYS A 65 13.406 3.561 -15.111 1.00 62.12 H new ATOM 0 HG2 LYS A 65 14.789 5.728 -14.803 1.00 51.44 H new ATOM 0 HG3 LYS A 65 14.131 6.227 -16.349 1.00 51.44 H new ATOM 0 HD2 LYS A 65 12.470 5.406 -13.931 1.00 1.30 H new ATOM 0 HD3 LYS A 65 12.797 7.061 -14.408 1.00 1.30 H new ATOM 0 HE2 LYS A 65 11.833 6.047 -16.768 1.00 23.41 H new ATOM 0 HE3 LYS A 65 10.948 5.065 -15.618 1.00 23.41 H new ATOM 0 HZ1 LYS A 65 9.743 7.078 -16.162 1.00 62.13 H new ATOM 0 HZ2 LYS A 65 10.180 7.090 -14.521 1.00 62.13 H new ATOM 0 HZ3 LYS A 65 11.038 8.042 -15.636 1.00 62.13 H new ATOM 1071 N TYR A 66 15.495 2.148 -14.295 1.00 42.30 N ATOM 1072 CA TYR A 66 16.127 1.705 -13.058 1.00 13.23 C ATOM 1073 C TYR A 66 17.068 0.533 -13.316 1.00 71.31 C ATOM 1074 O TYR A 66 17.367 -0.248 -12.413 1.00 73.43 O ATOM 1075 CB TYR A 66 15.064 1.304 -12.033 1.00 51.43 C ATOM 1076 CG TYR A 66 14.313 2.479 -11.449 1.00 14.21 C ATOM 1077 CD1 TYR A 66 13.282 3.089 -12.153 1.00 51.53 C ATOM 1078 CD2 TYR A 66 14.634 2.980 -10.193 1.00 73.43 C ATOM 1079 CE1 TYR A 66 12.593 4.164 -11.624 1.00 20.41 C ATOM 1080 CE2 TYR A 66 13.949 4.052 -9.655 1.00 43.24 C ATOM 1081 CZ TYR A 66 12.930 4.641 -10.374 1.00 61.15 C ATOM 1082 OH TYR A 66 12.247 5.711 -9.843 1.00 31.53 O ATOM 0 H TYR A 66 14.672 1.610 -14.565 1.00 42.30 H new ATOM 0 HA TYR A 66 16.711 2.535 -12.661 1.00 13.23 H new ATOM 0 HB2 TYR A 66 14.352 0.627 -12.506 1.00 51.43 H new ATOM 0 HB3 TYR A 66 15.541 0.750 -11.224 1.00 51.43 H new ATOM 0 HD1 TYR A 66 13.014 2.717 -13.131 1.00 51.53 H new ATOM 0 HD2 TYR A 66 15.433 2.523 -9.628 1.00 73.43 H new ATOM 0 HE1 TYR A 66 11.796 4.628 -12.186 1.00 20.41 H new ATOM 0 HE2 TYR A 66 14.210 4.427 -8.676 1.00 43.24 H new ATOM 0 HH TYR A 66 11.567 5.387 -9.216 1.00 31.53 H new ATOM 1092 N ALA A 67 17.532 0.417 -14.556 1.00 2.20 N ATOM 1093 CA ALA A 67 18.442 -0.657 -14.934 1.00 74.32 C ATOM 1094 C ALA A 67 19.890 -0.279 -14.642 1.00 72.20 C ATOM 1095 O ALA A 67 20.763 -1.143 -14.565 1.00 44.12 O ATOM 1096 CB ALA A 67 18.270 -1.000 -16.407 1.00 3.13 C ATOM 0 H ALA A 67 17.293 1.054 -15.316 1.00 2.20 H new ATOM 0 HA ALA A 67 18.197 -1.535 -14.336 1.00 74.32 H new ATOM 0 HB1 ALA A 67 18.956 -1.804 -16.676 1.00 3.13 H new ATOM 0 HB2 ALA A 67 17.245 -1.322 -16.588 1.00 3.13 H new ATOM 0 HB3 ALA A 67 18.486 -0.120 -17.013 1.00 3.13 H new ATOM 1102 N SER A 68 20.137 1.017 -14.481 1.00 22.24 N ATOM 1103 CA SER A 68 21.481 1.509 -14.201 1.00 51.44 C ATOM 1104 C SER A 68 21.702 1.664 -12.700 1.00 33.13 C ATOM 1105 O SER A 68 22.836 1.645 -12.222 1.00 62.40 O ATOM 1106 CB SER A 68 21.712 2.849 -14.903 1.00 13.42 C ATOM 1107 OG SER A 68 23.034 3.314 -14.692 1.00 14.30 O ATOM 0 H SER A 68 19.425 1.745 -14.540 1.00 22.24 H new ATOM 0 HA SER A 68 22.195 0.779 -14.582 1.00 51.44 H new ATOM 0 HB2 SER A 68 21.528 2.740 -15.972 1.00 13.42 H new ATOM 0 HB3 SER A 68 21.000 3.586 -14.531 1.00 13.42 H new ATOM 0 HG SER A 68 23.157 4.171 -15.152 1.00 14.30 H new ATOM 1113 N VAL A 69 20.608 1.817 -11.960 1.00 1.42 N ATOM 1114 CA VAL A 69 20.680 1.974 -10.512 1.00 44.31 C ATOM 1115 C VAL A 69 21.523 0.871 -9.881 1.00 55.31 C ATOM 1116 O VAL A 69 21.656 -0.218 -10.439 1.00 44.13 O ATOM 1117 CB VAL A 69 19.278 1.962 -9.876 1.00 11.15 C ATOM 1118 CG1 VAL A 69 18.665 0.573 -9.961 1.00 74.22 C ATOM 1119 CG2 VAL A 69 19.344 2.436 -8.432 1.00 4.43 C ATOM 0 H VAL A 69 19.661 1.836 -12.340 1.00 1.42 H new ATOM 0 HA VAL A 69 21.149 2.939 -10.321 1.00 44.31 H new ATOM 0 HB VAL A 69 18.640 2.650 -10.432 1.00 11.15 H new ATOM 0 HG11 VAL A 69 17.674 0.584 -9.506 1.00 74.22 H new ATOM 0 HG12 VAL A 69 18.581 0.276 -11.006 1.00 74.22 H new ATOM 0 HG13 VAL A 69 19.299 -0.138 -9.431 1.00 74.22 H new ATOM 0 HG21 VAL A 69 18.344 2.421 -7.998 1.00 4.43 H new ATOM 0 HG22 VAL A 69 19.997 1.775 -7.862 1.00 4.43 H new ATOM 0 HG23 VAL A 69 19.738 3.452 -8.400 1.00 4.43 H new ATOM 1129 N ASP A 70 22.088 1.161 -8.714 1.00 60.54 N ATOM 1130 CA ASP A 70 22.917 0.192 -8.005 1.00 53.45 C ATOM 1131 C ASP A 70 22.194 -0.343 -6.774 1.00 14.05 C ATOM 1132 O ASP A 70 21.993 0.378 -5.795 1.00 61.32 O ATOM 1133 CB ASP A 70 24.245 0.830 -7.596 1.00 24.54 C ATOM 1134 CG ASP A 70 25.411 -0.132 -7.719 1.00 31.13 C ATOM 1135 OD1 ASP A 70 25.164 -1.348 -7.855 1.00 22.41 O ATOM 1136 OD2 ASP A 70 26.570 0.332 -7.678 1.00 20.31 O ATOM 0 H ASP A 70 21.987 2.058 -8.239 1.00 60.54 H new ATOM 0 HA ASP A 70 23.116 -0.642 -8.678 1.00 53.45 H new ATOM 0 HB2 ASP A 70 24.432 1.705 -8.219 1.00 24.54 H new ATOM 0 HB3 ASP A 70 24.174 1.181 -6.567 1.00 24.54 H new ATOM 1141 N THR A 71 21.803 -1.612 -6.828 1.00 75.50 N ATOM 1142 CA THR A 71 21.100 -2.244 -5.718 1.00 73.04 C ATOM 1143 C THR A 71 22.037 -2.486 -4.540 1.00 55.44 C ATOM 1144 O THR A 71 21.650 -2.318 -3.383 1.00 64.33 O ATOM 1145 CB THR A 71 20.470 -3.584 -6.142 1.00 62.53 C ATOM 1146 OG1 THR A 71 21.010 -4.003 -7.401 1.00 21.13 O ATOM 1147 CG2 THR A 71 18.958 -3.462 -6.249 1.00 73.21 C ATOM 0 H THR A 71 21.961 -2.223 -7.629 1.00 75.50 H new ATOM 0 HA THR A 71 20.308 -1.559 -5.414 1.00 73.04 H new ATOM 0 HB THR A 71 20.705 -4.327 -5.380 1.00 62.53 H new ATOM 0 HG1 THR A 71 20.623 -4.868 -7.651 1.00 21.13 H new ATOM 0 HG21 THR A 71 18.536 -4.421 -6.550 1.00 73.21 H new ATOM 0 HG22 THR A 71 18.547 -3.172 -5.282 1.00 73.21 H new ATOM 0 HG23 THR A 71 18.706 -2.706 -6.992 1.00 73.21 H new ATOM 1155 N TYR A 72 23.269 -2.879 -4.842 1.00 11.13 N ATOM 1156 CA TYR A 72 24.261 -3.145 -3.807 1.00 32.13 C ATOM 1157 C TYR A 72 24.430 -1.937 -2.891 1.00 3.31 C ATOM 1158 O TYR A 72 24.528 -2.077 -1.672 1.00 10.44 O ATOM 1159 CB TYR A 72 25.604 -3.511 -4.440 1.00 61.23 C ATOM 1160 CG TYR A 72 26.740 -3.596 -3.446 1.00 34.15 C ATOM 1161 CD1 TYR A 72 26.624 -4.362 -2.292 1.00 75.03 C ATOM 1162 CD2 TYR A 72 27.929 -2.911 -3.660 1.00 3.22 C ATOM 1163 CE1 TYR A 72 27.658 -4.442 -1.381 1.00 2.35 C ATOM 1164 CE2 TYR A 72 28.970 -2.986 -2.754 1.00 51.22 C ATOM 1165 CZ TYR A 72 28.829 -3.752 -1.616 1.00 24.11 C ATOM 1166 OH TYR A 72 29.863 -3.830 -0.711 1.00 11.02 O ATOM 0 H TYR A 72 23.605 -3.020 -5.795 1.00 11.13 H new ATOM 0 HA TYR A 72 23.908 -3.985 -3.209 1.00 32.13 H new ATOM 0 HB2 TYR A 72 25.506 -4.469 -4.950 1.00 61.23 H new ATOM 0 HB3 TYR A 72 25.852 -2.770 -5.200 1.00 61.23 H new ATOM 0 HD1 TYR A 72 25.709 -4.904 -2.105 1.00 75.03 H new ATOM 0 HD2 TYR A 72 28.042 -2.309 -4.550 1.00 3.22 H new ATOM 0 HE1 TYR A 72 27.551 -5.042 -0.489 1.00 2.35 H new ATOM 0 HE2 TYR A 72 29.888 -2.448 -2.936 1.00 51.22 H new ATOM 0 HH TYR A 72 30.615 -3.287 -1.026 1.00 11.02 H new ATOM 1176 N ASP A 73 24.464 -0.750 -3.488 1.00 34.51 N ATOM 1177 CA ASP A 73 24.619 0.484 -2.727 1.00 43.14 C ATOM 1178 C ASP A 73 23.428 0.706 -1.801 1.00 74.14 C ATOM 1179 O ASP A 73 22.340 1.068 -2.250 1.00 35.34 O ATOM 1180 CB ASP A 73 24.774 1.675 -3.674 1.00 50.32 C ATOM 1181 CG ASP A 73 25.183 2.942 -2.949 1.00 11.12 C ATOM 1182 OD1 ASP A 73 25.449 2.868 -1.731 1.00 53.50 O ATOM 1183 OD2 ASP A 73 25.236 4.007 -3.599 1.00 3.54 O ATOM 0 H ASP A 73 24.386 -0.617 -4.496 1.00 34.51 H new ATOM 0 HA ASP A 73 25.518 0.395 -2.117 1.00 43.14 H new ATOM 0 HB2 ASP A 73 25.520 1.437 -4.433 1.00 50.32 H new ATOM 0 HB3 ASP A 73 23.832 1.846 -4.195 1.00 50.32 H new ATOM 1188 N ARG A 74 23.640 0.485 -0.508 1.00 45.52 N ATOM 1189 CA ARG A 74 22.583 0.659 0.481 1.00 63.04 C ATOM 1190 C ARG A 74 21.935 2.034 0.347 1.00 34.34 C ATOM 1191 O ARG A 74 20.757 2.207 0.660 1.00 3.45 O ATOM 1192 CB ARG A 74 23.143 0.482 1.893 1.00 0.23 C ATOM 1193 CG ARG A 74 23.968 1.665 2.374 1.00 63.41 C ATOM 1194 CD ARG A 74 25.309 1.736 1.659 1.00 33.42 C ATOM 1195 NE ARG A 74 26.015 0.458 1.693 1.00 24.01 N ATOM 1196 CZ ARG A 74 27.083 0.189 0.950 1.00 72.43 C ATOM 1197 NH1 ARG A 74 27.564 1.103 0.119 1.00 2.11 N ATOM 1198 NH2 ARG A 74 27.671 -0.998 1.037 1.00 42.44 N ATOM 0 H ARG A 74 24.535 0.185 -0.121 1.00 45.52 H new ATOM 0 HA ARG A 74 21.822 -0.101 0.302 1.00 63.04 H new ATOM 0 HB2 ARG A 74 22.316 0.321 2.585 1.00 0.23 H new ATOM 0 HB3 ARG A 74 23.761 -0.416 1.920 1.00 0.23 H new ATOM 0 HG2 ARG A 74 23.415 2.589 2.205 1.00 63.41 H new ATOM 0 HG3 ARG A 74 24.131 1.583 3.449 1.00 63.41 H new ATOM 0 HD2 ARG A 74 25.152 2.036 0.623 1.00 33.42 H new ATOM 0 HD3 ARG A 74 25.927 2.504 2.123 1.00 33.42 H new ATOM 0 HE ARG A 74 25.669 -0.267 2.321 1.00 24.01 H new ATOM 0 HH11 ARG A 74 27.114 2.016 0.049 1.00 2.11 H new ATOM 0 HH12 ARG A 74 28.384 0.894 -0.450 1.00 2.11 H new ATOM 0 HH21 ARG A 74 27.303 -1.704 1.674 1.00 42.44 H new ATOM 0 HH22 ARG A 74 28.491 -1.204 0.466 1.00 42.44 H new ATOM 1212 N GLU A 75 22.712 3.006 -0.119 1.00 14.53 N ATOM 1213 CA GLU A 75 22.212 4.366 -0.292 1.00 22.55 C ATOM 1214 C GLU A 75 21.157 4.421 -1.392 1.00 52.43 C ATOM 1215 O GLU A 75 20.033 4.869 -1.166 1.00 1.11 O ATOM 1216 CB GLU A 75 23.363 5.317 -0.625 1.00 2.14 C ATOM 1217 CG GLU A 75 23.964 5.996 0.595 1.00 62.42 C ATOM 1218 CD GLU A 75 24.960 7.079 0.228 1.00 30.12 C ATOM 1219 OE1 GLU A 75 24.547 8.076 -0.401 1.00 34.43 O ATOM 1220 OE2 GLU A 75 26.152 6.930 0.570 1.00 52.15 O ATOM 0 H GLU A 75 23.689 2.878 -0.383 1.00 14.53 H new ATOM 0 HA GLU A 75 21.751 4.679 0.645 1.00 22.55 H new ATOM 0 HB2 GLU A 75 24.145 4.761 -1.143 1.00 2.14 H new ATOM 0 HB3 GLU A 75 23.004 6.080 -1.315 1.00 2.14 H new ATOM 0 HG2 GLU A 75 23.165 6.431 1.195 1.00 62.42 H new ATOM 0 HG3 GLU A 75 24.458 5.249 1.216 1.00 62.42 H new ATOM 1227 N GLN A 76 21.528 3.964 -2.584 1.00 2.22 N ATOM 1228 CA GLN A 76 20.614 3.963 -3.720 1.00 3.40 C ATOM 1229 C GLN A 76 19.368 3.139 -3.415 1.00 71.04 C ATOM 1230 O GLN A 76 18.244 3.629 -3.527 1.00 61.15 O ATOM 1231 CB GLN A 76 21.314 3.412 -4.964 1.00 13.04 C ATOM 1232 CG GLN A 76 22.538 4.212 -5.378 1.00 23.11 C ATOM 1233 CD GLN A 76 22.678 4.328 -6.883 1.00 32.20 C ATOM 1234 OE1 GLN A 76 21.733 4.703 -7.579 1.00 25.25 O ATOM 1235 NE2 GLN A 76 23.860 4.006 -7.395 1.00 21.03 N ATOM 0 H GLN A 76 22.455 3.590 -2.788 1.00 2.22 H new ATOM 0 HA GLN A 76 20.309 4.992 -3.910 1.00 3.40 H new ATOM 0 HB2 GLN A 76 21.611 2.380 -4.776 1.00 13.04 H new ATOM 0 HB3 GLN A 76 20.605 3.394 -5.792 1.00 13.04 H new ATOM 0 HG2 GLN A 76 22.478 5.210 -4.945 1.00 23.11 H new ATOM 0 HG3 GLN A 76 23.431 3.740 -4.969 1.00 23.11 H new ATOM 0 HE21 GLN A 76 24.615 3.700 -6.782 1.00 21.03 H new ATOM 0 HE22 GLN A 76 24.013 4.064 -8.402 1.00 21.03 H new ATOM 1244 N VAL A 77 19.574 1.884 -3.030 1.00 23.40 N ATOM 1245 CA VAL A 77 18.467 0.991 -2.708 1.00 64.25 C ATOM 1246 C VAL A 77 17.552 1.607 -1.656 1.00 63.12 C ATOM 1247 O VAL A 77 16.343 1.379 -1.660 1.00 60.45 O ATOM 1248 CB VAL A 77 18.975 -0.371 -2.198 1.00 13.10 C ATOM 1249 CG1 VAL A 77 19.471 -0.253 -0.765 1.00 34.11 C ATOM 1250 CG2 VAL A 77 17.880 -1.422 -2.307 1.00 43.24 C ATOM 0 H VAL A 77 20.498 1.462 -2.933 1.00 23.40 H new ATOM 0 HA VAL A 77 17.905 0.839 -3.629 1.00 64.25 H new ATOM 0 HB VAL A 77 19.812 -0.685 -2.822 1.00 13.10 H new ATOM 0 HG11 VAL A 77 19.826 -1.225 -0.422 1.00 34.11 H new ATOM 0 HG12 VAL A 77 20.287 0.468 -0.721 1.00 34.11 H new ATOM 0 HG13 VAL A 77 18.656 0.083 -0.124 1.00 34.11 H new ATOM 0 HG21 VAL A 77 18.256 -2.378 -1.943 1.00 43.24 H new ATOM 0 HG22 VAL A 77 17.022 -1.117 -1.708 1.00 43.24 H new ATOM 0 HG23 VAL A 77 17.577 -1.525 -3.349 1.00 43.24 H new ATOM 1260 N MET A 78 18.138 2.389 -0.756 1.00 11.43 N ATOM 1261 CA MET A 78 17.374 3.040 0.302 1.00 3.45 C ATOM 1262 C MET A 78 16.435 4.095 -0.275 1.00 23.13 C ATOM 1263 O MET A 78 15.226 4.056 -0.046 1.00 41.31 O ATOM 1264 CB MET A 78 18.318 3.684 1.320 1.00 23.52 C ATOM 1265 CG MET A 78 18.588 2.811 2.535 1.00 20.41 C ATOM 1266 SD MET A 78 19.592 3.643 3.780 1.00 45.45 S ATOM 1267 CE MET A 78 21.196 2.909 3.467 1.00 30.25 C ATOM 0 H MET A 78 19.138 2.587 -0.738 1.00 11.43 H new ATOM 0 HA MET A 78 16.774 2.280 0.803 1.00 3.45 H new ATOM 0 HB2 MET A 78 19.264 3.914 0.831 1.00 23.52 H new ATOM 0 HB3 MET A 78 17.891 4.631 1.651 1.00 23.52 H new ATOM 0 HG2 MET A 78 17.639 2.511 2.980 1.00 20.41 H new ATOM 0 HG3 MET A 78 19.093 1.899 2.217 1.00 20.41 H new ATOM 0 HE1 MET A 78 21.774 2.890 4.391 1.00 30.25 H new ATOM 0 HE2 MET A 78 21.065 1.891 3.100 1.00 30.25 H new ATOM 0 HE3 MET A 78 21.726 3.499 2.719 1.00 30.25 H new ATOM 1277 N LYS A 79 16.999 5.037 -1.024 1.00 21.44 N ATOM 1278 CA LYS A 79 16.213 6.102 -1.635 1.00 31.43 C ATOM 1279 C LYS A 79 15.083 5.526 -2.483 1.00 24.01 C ATOM 1280 O LYS A 79 13.976 6.064 -2.507 1.00 3.55 O ATOM 1281 CB LYS A 79 17.108 6.994 -2.497 1.00 4.21 C ATOM 1282 CG LYS A 79 18.084 7.835 -1.692 1.00 45.02 C ATOM 1283 CD LYS A 79 19.302 8.218 -2.517 1.00 22.34 C ATOM 1284 CE LYS A 79 20.485 8.575 -1.630 1.00 65.12 C ATOM 1285 NZ LYS A 79 20.411 9.981 -1.146 1.00 11.04 N ATOM 0 H LYS A 79 17.998 5.084 -1.222 1.00 21.44 H new ATOM 0 HA LYS A 79 15.775 6.701 -0.836 1.00 31.43 H new ATOM 0 HB2 LYS A 79 17.668 6.369 -3.193 1.00 4.21 H new ATOM 0 HB3 LYS A 79 16.480 7.654 -3.096 1.00 4.21 H new ATOM 0 HG2 LYS A 79 17.584 8.737 -1.339 1.00 45.02 H new ATOM 0 HG3 LYS A 79 18.401 7.281 -0.809 1.00 45.02 H new ATOM 0 HD2 LYS A 79 19.574 7.391 -3.173 1.00 22.34 H new ATOM 0 HD3 LYS A 79 19.057 9.065 -3.158 1.00 22.34 H new ATOM 0 HE2 LYS A 79 20.516 7.898 -0.776 1.00 65.12 H new ATOM 0 HE3 LYS A 79 21.412 8.430 -2.185 1.00 65.12 H new ATOM 0 HZ1 LYS A 79 21.235 10.185 -0.545 1.00 11.04 H new ATOM 0 HZ2 LYS A 79 20.407 10.629 -1.960 1.00 11.04 H new ATOM 0 HZ3 LYS A 79 19.539 10.113 -0.595 1.00 11.04 H new ATOM 1299 N ILE A 80 15.370 4.429 -3.176 1.00 41.31 N ATOM 1300 CA ILE A 80 14.377 3.780 -4.023 1.00 1.11 C ATOM 1301 C ILE A 80 13.230 3.216 -3.192 1.00 21.45 C ATOM 1302 O ILE A 80 12.064 3.530 -3.431 1.00 33.44 O ATOM 1303 CB ILE A 80 15.002 2.644 -4.853 1.00 70.45 C ATOM 1304 CG1 ILE A 80 16.123 3.188 -5.741 1.00 4.13 C ATOM 1305 CG2 ILE A 80 13.938 1.957 -5.697 1.00 10.12 C ATOM 1306 CD1 ILE A 80 17.146 2.144 -6.131 1.00 72.13 C ATOM 0 H ILE A 80 16.282 3.971 -3.168 1.00 41.31 H new ATOM 0 HA ILE A 80 13.991 4.543 -4.699 1.00 1.11 H new ATOM 0 HB ILE A 80 15.429 1.909 -4.171 1.00 70.45 H new ATOM 0 HG12 ILE A 80 15.686 3.612 -6.645 1.00 4.13 H new ATOM 0 HG13 ILE A 80 16.627 4.001 -5.219 1.00 4.13 H new ATOM 0 HG21 ILE A 80 14.395 1.156 -6.278 1.00 10.12 H new ATOM 0 HG22 ILE A 80 13.170 1.540 -5.045 1.00 10.12 H new ATOM 0 HG23 ILE A 80 13.485 2.683 -6.373 1.00 10.12 H new ATOM 0 HD11 ILE A 80 17.910 2.601 -6.760 1.00 72.13 H new ATOM 0 HD12 ILE A 80 17.611 1.737 -5.233 1.00 72.13 H new ATOM 0 HD13 ILE A 80 16.655 1.341 -6.681 1.00 72.13 H new ATOM 1318 N ILE A 81 13.570 2.383 -2.214 1.00 32.35 N ATOM 1319 CA ILE A 81 12.569 1.777 -1.345 1.00 35.14 C ATOM 1320 C ILE A 81 11.792 2.840 -0.576 1.00 1.54 C ATOM 1321 O ILE A 81 10.592 2.699 -0.340 1.00 21.20 O ATOM 1322 CB ILE A 81 13.210 0.800 -0.342 1.00 4.35 C ATOM 1323 CG1 ILE A 81 13.866 -0.367 -1.082 1.00 30.44 C ATOM 1324 CG2 ILE A 81 12.168 0.292 0.644 1.00 64.04 C ATOM 1325 CD1 ILE A 81 14.724 -1.241 -0.193 1.00 50.41 C ATOM 0 H ILE A 81 14.531 2.113 -2.004 1.00 32.35 H new ATOM 0 HA ILE A 81 11.885 1.225 -1.990 1.00 35.14 H new ATOM 0 HB ILE A 81 13.981 1.330 0.217 1.00 4.35 H new ATOM 0 HG12 ILE A 81 13.089 -0.980 -1.539 1.00 30.44 H new ATOM 0 HG13 ILE A 81 14.480 0.026 -1.892 1.00 30.44 H new ATOM 0 HG21 ILE A 81 12.637 -0.397 1.346 1.00 64.04 H new ATOM 0 HG22 ILE A 81 11.744 1.134 1.191 1.00 64.04 H new ATOM 0 HG23 ILE A 81 11.376 -0.225 0.102 1.00 64.04 H new ATOM 0 HD11 ILE A 81 15.157 -2.048 -0.785 1.00 50.41 H new ATOM 0 HD12 ILE A 81 15.523 -0.642 0.244 1.00 50.41 H new ATOM 0 HD13 ILE A 81 14.111 -1.664 0.603 1.00 50.41 H new ATOM 1337 N ASP A 82 12.484 3.906 -0.188 1.00 45.14 N ATOM 1338 CA ASP A 82 11.860 4.996 0.552 1.00 53.32 C ATOM 1339 C ASP A 82 10.922 5.796 -0.347 1.00 44.43 C ATOM 1340 O ASP A 82 9.785 6.084 0.025 1.00 24.52 O ATOM 1341 CB ASP A 82 12.928 5.917 1.144 1.00 72.10 C ATOM 1342 CG ASP A 82 12.334 7.010 2.010 1.00 1.24 C ATOM 1343 OD1 ASP A 82 11.939 8.058 1.457 1.00 73.34 O ATOM 1344 OD2 ASP A 82 12.264 6.818 3.242 1.00 11.11 O ATOM 0 H ASP A 82 13.478 4.038 -0.374 1.00 45.14 H new ATOM 0 HA ASP A 82 11.275 4.563 1.363 1.00 53.32 H new ATOM 0 HB2 ASP A 82 13.625 5.326 1.738 1.00 72.10 H new ATOM 0 HB3 ASP A 82 13.502 6.370 0.336 1.00 72.10 H new ATOM 1349 N GLU A 83 11.409 6.154 -1.532 1.00 33.12 N ATOM 1350 CA GLU A 83 10.614 6.923 -2.483 1.00 22.24 C ATOM 1351 C GLU A 83 9.385 6.135 -2.927 1.00 64.13 C ATOM 1352 O GLU A 83 8.259 6.628 -2.859 1.00 4.24 O ATOM 1353 CB GLU A 83 11.460 7.300 -3.701 1.00 21.04 C ATOM 1354 CG GLU A 83 12.389 8.477 -3.455 1.00 63.04 C ATOM 1355 CD GLU A 83 12.281 9.539 -4.532 1.00 45.30 C ATOM 1356 OE1 GLU A 83 12.130 9.172 -5.716 1.00 11.12 O ATOM 1357 OE2 GLU A 83 12.349 10.739 -4.190 1.00 34.31 O ATOM 0 H GLU A 83 12.349 5.924 -1.856 1.00 33.12 H new ATOM 0 HA GLU A 83 10.280 7.834 -1.986 1.00 22.24 H new ATOM 0 HB2 GLU A 83 12.053 6.437 -4.002 1.00 21.04 H new ATOM 0 HB3 GLU A 83 10.798 7.538 -4.533 1.00 21.04 H new ATOM 0 HG2 GLU A 83 12.158 8.922 -2.487 1.00 63.04 H new ATOM 0 HG3 GLU A 83 13.417 8.119 -3.404 1.00 63.04 H new ATOM 1364 N PHE A 84 9.610 4.907 -3.384 1.00 43.41 N ATOM 1365 CA PHE A 84 8.523 4.051 -3.842 1.00 34.20 C ATOM 1366 C PHE A 84 7.627 3.640 -2.677 1.00 71.41 C ATOM 1367 O PHE A 84 6.508 3.166 -2.876 1.00 30.01 O ATOM 1368 CB PHE A 84 9.082 2.806 -4.534 1.00 1.10 C ATOM 1369 CG PHE A 84 9.519 3.053 -5.950 1.00 32.42 C ATOM 1370 CD1 PHE A 84 10.619 3.850 -6.220 1.00 63.45 C ATOM 1371 CD2 PHE A 84 8.828 2.488 -7.010 1.00 23.30 C ATOM 1372 CE1 PHE A 84 11.024 4.078 -7.522 1.00 41.22 C ATOM 1373 CE2 PHE A 84 9.229 2.712 -8.314 1.00 13.34 C ATOM 1374 CZ PHE A 84 10.327 3.510 -8.570 1.00 61.51 C ATOM 0 H PHE A 84 10.536 4.483 -3.447 1.00 43.41 H new ATOM 0 HA PHE A 84 7.925 4.617 -4.556 1.00 34.20 H new ATOM 0 HB2 PHE A 84 9.930 2.431 -3.961 1.00 1.10 H new ATOM 0 HB3 PHE A 84 8.322 2.024 -4.528 1.00 1.10 H new ATOM 0 HD1 PHE A 84 11.167 4.298 -5.404 1.00 63.45 H new ATOM 0 HD2 PHE A 84 7.967 1.866 -6.815 1.00 23.30 H new ATOM 0 HE1 PHE A 84 11.885 4.700 -7.719 1.00 41.22 H new ATOM 0 HE2 PHE A 84 8.684 2.264 -9.132 1.00 13.34 H new ATOM 0 HZ PHE A 84 10.640 3.689 -9.588 1.00 61.51 H new ATOM 1384 N LYS A 85 8.128 3.824 -1.460 1.00 74.42 N ATOM 1385 CA LYS A 85 7.375 3.473 -0.262 1.00 12.34 C ATOM 1386 C LYS A 85 7.056 1.982 -0.236 1.00 32.11 C ATOM 1387 O LYS A 85 5.889 1.587 -0.246 1.00 45.11 O ATOM 1388 CB LYS A 85 6.079 4.284 -0.193 1.00 54.14 C ATOM 1389 CG LYS A 85 6.296 5.786 -0.266 1.00 71.45 C ATOM 1390 CD LYS A 85 6.639 6.366 1.095 1.00 14.42 C ATOM 1391 CE LYS A 85 6.405 7.869 1.135 1.00 22.10 C ATOM 1392 NZ LYS A 85 7.626 8.630 0.752 1.00 4.20 N ATOM 0 H LYS A 85 9.053 4.214 -1.278 1.00 74.42 H new ATOM 0 HA LYS A 85 7.991 3.709 0.605 1.00 12.34 H new ATOM 0 HB2 LYS A 85 5.426 3.980 -1.011 1.00 54.14 H new ATOM 0 HB3 LYS A 85 5.560 4.045 0.735 1.00 54.14 H new ATOM 0 HG2 LYS A 85 7.100 6.005 -0.969 1.00 71.45 H new ATOM 0 HG3 LYS A 85 5.396 6.266 -0.651 1.00 71.45 H new ATOM 0 HD2 LYS A 85 6.034 5.882 1.861 1.00 14.42 H new ATOM 0 HD3 LYS A 85 7.682 6.153 1.331 1.00 14.42 H new ATOM 0 HE2 LYS A 85 5.589 8.128 0.460 1.00 22.10 H new ATOM 0 HE3 LYS A 85 6.094 8.162 2.138 1.00 22.10 H new ATOM 0 HZ1 LYS A 85 7.426 9.650 0.792 1.00 4.20 H new ATOM 0 HZ2 LYS A 85 8.398 8.403 1.411 1.00 4.20 H new ATOM 0 HZ3 LYS A 85 7.908 8.370 -0.215 1.00 4.20 H new ATOM 1406 N ILE A 86 8.098 1.159 -0.201 1.00 45.10 N ATOM 1407 CA ILE A 86 7.928 -0.288 -0.171 1.00 21.20 C ATOM 1408 C ILE A 86 7.892 -0.808 1.262 1.00 1.12 C ATOM 1409 O ILE A 86 8.728 -0.460 2.096 1.00 22.02 O ATOM 1410 CB ILE A 86 9.057 -1.004 -0.936 1.00 52.14 C ATOM 1411 CG1 ILE A 86 9.187 -0.432 -2.349 1.00 50.44 C ATOM 1412 CG2 ILE A 86 8.795 -2.502 -0.988 1.00 11.33 C ATOM 1413 CD1 ILE A 86 10.368 -0.982 -3.118 1.00 2.23 C ATOM 0 H ILE A 86 9.069 1.470 -0.193 1.00 45.10 H new ATOM 0 HA ILE A 86 6.977 -0.503 -0.658 1.00 21.20 H new ATOM 0 HB ILE A 86 9.996 -0.837 -0.408 1.00 52.14 H new ATOM 0 HG12 ILE A 86 8.273 -0.644 -2.903 1.00 50.44 H new ATOM 0 HG13 ILE A 86 9.278 0.652 -2.286 1.00 50.44 H new ATOM 0 HG21 ILE A 86 9.602 -2.994 -1.532 1.00 11.33 H new ATOM 0 HG22 ILE A 86 8.747 -2.898 0.026 1.00 11.33 H new ATOM 0 HG23 ILE A 86 7.849 -2.688 -1.496 1.00 11.33 H new ATOM 0 HD11 ILE A 86 10.397 -0.532 -4.110 1.00 2.23 H new ATOM 0 HD12 ILE A 86 11.290 -0.747 -2.586 1.00 2.23 H new ATOM 0 HD13 ILE A 86 10.269 -2.063 -3.213 1.00 2.23 H new ATOM 1425 N PRO A 87 6.902 -1.663 1.557 1.00 55.03 N ATOM 1426 CA PRO A 87 6.734 -2.251 2.889 1.00 73.42 C ATOM 1427 C PRO A 87 7.832 -3.256 3.221 1.00 12.24 C ATOM 1428 O PRO A 87 8.621 -3.638 2.357 1.00 61.31 O ATOM 1429 CB PRO A 87 5.377 -2.953 2.798 1.00 35.51 C ATOM 1430 CG PRO A 87 5.198 -3.248 1.349 1.00 45.24 C ATOM 1431 CD PRO A 87 5.869 -2.122 0.612 1.00 44.41 C ATOM 0 HA PRO A 87 6.789 -1.499 3.676 1.00 73.42 H new ATOM 0 HB2 PRO A 87 5.364 -3.867 3.392 1.00 35.51 H new ATOM 0 HB3 PRO A 87 4.576 -2.316 3.174 1.00 35.51 H new ATOM 0 HG2 PRO A 87 5.645 -4.207 1.088 1.00 45.24 H new ATOM 0 HG3 PRO A 87 4.141 -3.308 1.091 1.00 45.24 H new ATOM 0 HD2 PRO A 87 6.306 -2.461 -0.327 1.00 44.41 H new ATOM 0 HD3 PRO A 87 5.166 -1.326 0.368 1.00 44.41 H new ATOM 1439 N THR A 88 7.877 -3.681 4.480 1.00 4.13 N ATOM 1440 CA THR A 88 8.879 -4.640 4.927 1.00 21.42 C ATOM 1441 C THR A 88 8.263 -6.018 5.142 1.00 23.24 C ATOM 1442 O THR A 88 7.057 -6.202 4.982 1.00 14.10 O ATOM 1443 CB THR A 88 9.553 -4.182 6.234 1.00 15.25 C ATOM 1444 OG1 THR A 88 8.665 -3.332 6.971 1.00 64.43 O ATOM 1445 CG2 THR A 88 10.849 -3.440 5.944 1.00 34.12 C ATOM 0 H THR A 88 7.231 -3.376 5.208 1.00 4.13 H new ATOM 0 HA THR A 88 9.632 -4.699 4.141 1.00 21.42 H new ATOM 0 HB THR A 88 9.785 -5.067 6.827 1.00 15.25 H new ATOM 0 HG1 THR A 88 8.998 -3.227 7.887 1.00 64.43 H new ATOM 0 HG21 THR A 88 11.307 -3.127 6.882 1.00 34.12 H new ATOM 0 HG22 THR A 88 11.533 -4.098 5.409 1.00 34.12 H new ATOM 0 HG23 THR A 88 10.637 -2.563 5.333 1.00 34.12 H new ATOM 1453 N VAL A 89 9.100 -6.985 5.507 1.00 13.23 N ATOM 1454 CA VAL A 89 8.637 -8.347 5.746 1.00 12.54 C ATOM 1455 C VAL A 89 7.596 -8.386 6.860 1.00 42.50 C ATOM 1456 O VAL A 89 6.505 -8.926 6.684 1.00 71.02 O ATOM 1457 CB VAL A 89 9.805 -9.279 6.117 1.00 32.44 C ATOM 1458 CG1 VAL A 89 9.338 -10.726 6.166 1.00 62.32 C ATOM 1459 CG2 VAL A 89 10.952 -9.113 5.132 1.00 22.45 C ATOM 0 H VAL A 89 10.102 -6.850 5.643 1.00 13.23 H new ATOM 0 HA VAL A 89 8.184 -8.695 4.818 1.00 12.54 H new ATOM 0 HB VAL A 89 10.166 -9.005 7.108 1.00 32.44 H new ATOM 0 HG11 VAL A 89 10.177 -11.370 6.430 1.00 62.32 H new ATOM 0 HG12 VAL A 89 8.552 -10.829 6.914 1.00 62.32 H new ATOM 0 HG13 VAL A 89 8.950 -11.016 5.190 1.00 62.32 H new ATOM 0 HG21 VAL A 89 11.769 -9.779 5.409 1.00 22.45 H new ATOM 0 HG22 VAL A 89 10.608 -9.360 4.128 1.00 22.45 H new ATOM 0 HG23 VAL A 89 11.302 -8.081 5.152 1.00 22.45 H new ATOM 1469 N GLU A 90 7.942 -7.808 8.006 1.00 22.34 N ATOM 1470 CA GLU A 90 7.037 -7.778 9.149 1.00 1.22 C ATOM 1471 C GLU A 90 5.688 -7.180 8.759 1.00 23.02 C ATOM 1472 O GLU A 90 4.641 -7.780 8.997 1.00 34.13 O ATOM 1473 CB GLU A 90 7.653 -6.971 10.294 1.00 31.14 C ATOM 1474 CG GLU A 90 8.926 -7.583 10.854 1.00 31.23 C ATOM 1475 CD GLU A 90 9.783 -6.573 11.593 1.00 60.44 C ATOM 1476 OE1 GLU A 90 9.346 -6.090 12.658 1.00 44.43 O ATOM 1477 OE2 GLU A 90 10.891 -6.267 11.104 1.00 21.35 O ATOM 0 H GLU A 90 8.841 -7.355 8.167 1.00 22.34 H new ATOM 0 HA GLU A 90 6.878 -8.804 9.481 1.00 1.22 H new ATOM 0 HB2 GLU A 90 7.869 -5.963 9.941 1.00 31.14 H new ATOM 0 HB3 GLU A 90 6.921 -6.878 11.096 1.00 31.14 H new ATOM 0 HG2 GLU A 90 8.666 -8.397 11.530 1.00 31.23 H new ATOM 0 HG3 GLU A 90 9.505 -8.018 10.039 1.00 31.23 H new ATOM 1484 N GLN A 91 5.724 -5.994 8.160 1.00 63.44 N ATOM 1485 CA GLN A 91 4.505 -5.315 7.738 1.00 41.11 C ATOM 1486 C GLN A 91 3.739 -6.153 6.720 1.00 41.03 C ATOM 1487 O GLN A 91 2.510 -6.207 6.745 1.00 14.02 O ATOM 1488 CB GLN A 91 4.839 -3.946 7.142 1.00 70.31 C ATOM 1489 CG GLN A 91 5.369 -2.951 8.162 1.00 73.32 C ATOM 1490 CD GLN A 91 6.319 -1.940 7.551 1.00 15.45 C ATOM 1491 OE1 GLN A 91 6.213 -1.606 6.371 1.00 43.40 O ATOM 1492 NE2 GLN A 91 7.253 -1.445 8.355 1.00 64.34 N ATOM 0 H GLN A 91 6.583 -5.484 7.956 1.00 63.44 H new ATOM 0 HA GLN A 91 3.874 -5.177 8.616 1.00 41.11 H new ATOM 0 HB2 GLN A 91 5.580 -4.074 6.353 1.00 70.31 H new ATOM 0 HB3 GLN A 91 3.944 -3.534 6.676 1.00 70.31 H new ATOM 0 HG2 GLN A 91 4.531 -2.426 8.621 1.00 73.32 H new ATOM 0 HG3 GLN A 91 5.882 -3.491 8.958 1.00 73.32 H new ATOM 0 HE21 GLN A 91 7.304 -1.751 9.327 1.00 64.34 H new ATOM 0 HE22 GLN A 91 7.920 -0.759 8.001 1.00 64.34 H new ATOM 1501 N TRP A 92 4.473 -6.804 5.825 1.00 24.21 N ATOM 1502 CA TRP A 92 3.862 -7.640 4.797 1.00 4.35 C ATOM 1503 C TRP A 92 3.181 -8.854 5.418 1.00 71.53 C ATOM 1504 O TRP A 92 2.115 -9.278 4.969 1.00 2.42 O ATOM 1505 CB TRP A 92 4.916 -8.092 3.786 1.00 65.14 C ATOM 1506 CG TRP A 92 4.366 -8.980 2.711 1.00 31.22 C ATOM 1507 CD1 TRP A 92 3.361 -8.681 1.836 1.00 61.51 C ATOM 1508 CD2 TRP A 92 4.789 -10.312 2.400 1.00 34.34 C ATOM 1509 NE1 TRP A 92 3.134 -9.748 1.000 1.00 54.34 N ATOM 1510 CE2 TRP A 92 3.997 -10.760 1.325 1.00 70.33 C ATOM 1511 CE3 TRP A 92 5.760 -11.169 2.924 1.00 30.53 C ATOM 1512 CZ2 TRP A 92 4.148 -12.027 0.767 1.00 52.02 C ATOM 1513 CZ3 TRP A 92 5.908 -12.426 2.370 1.00 62.53 C ATOM 1514 CH2 TRP A 92 5.106 -12.845 1.300 1.00 63.44 C ATOM 0 H TRP A 92 5.492 -6.769 5.790 1.00 24.21 H new ATOM 0 HA TRP A 92 3.106 -7.047 4.282 1.00 4.35 H new ATOM 0 HB2 TRP A 92 5.368 -7.213 3.326 1.00 65.14 H new ATOM 0 HB3 TRP A 92 5.711 -8.620 4.312 1.00 65.14 H new ATOM 0 HD1 TRP A 92 2.824 -7.744 1.805 1.00 61.51 H new ATOM 0 HE1 TRP A 92 2.435 -9.781 0.257 1.00 54.34 H new ATOM 0 HE3 TRP A 92 6.384 -10.854 3.748 1.00 30.53 H new ATOM 0 HZ2 TRP A 92 3.531 -12.352 -0.057 1.00 52.02 H new ATOM 0 HZ3 TRP A 92 6.655 -13.097 2.768 1.00 62.53 H new ATOM 0 HH2 TRP A 92 5.247 -13.833 0.888 1.00 63.44 H new ATOM 1525 N LYS A 93 3.802 -9.412 6.452 1.00 73.14 N ATOM 1526 CA LYS A 93 3.255 -10.578 7.135 1.00 15.02 C ATOM 1527 C LYS A 93 1.959 -10.226 7.860 1.00 43.32 C ATOM 1528 O LYS A 93 0.951 -10.918 7.721 1.00 60.34 O ATOM 1529 CB LYS A 93 4.273 -11.135 8.132 1.00 65.43 C ATOM 1530 CG LYS A 93 5.543 -11.653 7.478 1.00 21.01 C ATOM 1531 CD LYS A 93 5.417 -13.119 7.099 1.00 24.23 C ATOM 1532 CE LYS A 93 5.301 -13.298 5.593 1.00 11.24 C ATOM 1533 NZ LYS A 93 4.322 -14.361 5.235 1.00 13.10 N ATOM 0 H LYS A 93 4.685 -9.075 6.835 1.00 73.14 H new ATOM 0 HA LYS A 93 3.037 -11.338 6.385 1.00 15.02 H new ATOM 0 HB2 LYS A 93 4.534 -10.354 8.846 1.00 65.43 H new ATOM 0 HB3 LYS A 93 3.810 -11.943 8.698 1.00 65.43 H new ATOM 0 HG2 LYS A 93 5.761 -11.064 6.588 1.00 21.01 H new ATOM 0 HG3 LYS A 93 6.383 -11.523 8.160 1.00 21.01 H new ATOM 0 HD2 LYS A 93 6.285 -13.666 7.466 1.00 24.23 H new ATOM 0 HD3 LYS A 93 4.541 -13.548 7.586 1.00 24.23 H new ATOM 0 HE2 LYS A 93 4.997 -12.356 5.138 1.00 11.24 H new ATOM 0 HE3 LYS A 93 6.278 -13.550 5.181 1.00 11.24 H new ATOM 0 HZ1 LYS A 93 4.272 -14.452 4.200 1.00 13.10 H new ATOM 0 HZ2 LYS A 93 4.625 -15.266 5.648 1.00 13.10 H new ATOM 0 HZ3 LYS A 93 3.384 -14.108 5.606 1.00 13.10 H new ATOM 1547 N ASP A 94 1.994 -9.145 8.632 1.00 72.14 N ATOM 1548 CA ASP A 94 0.822 -8.699 9.376 1.00 74.50 C ATOM 1549 C ASP A 94 -0.320 -8.342 8.429 1.00 21.32 C ATOM 1550 O ASP A 94 -1.473 -8.699 8.671 1.00 41.44 O ATOM 1551 CB ASP A 94 1.173 -7.494 10.249 1.00 42.44 C ATOM 1552 CG ASP A 94 -0.056 -6.818 10.825 1.00 25.44 C ATOM 1553 OD1 ASP A 94 -0.778 -7.470 11.608 1.00 62.31 O ATOM 1554 OD2 ASP A 94 -0.295 -5.638 10.494 1.00 73.33 O ATOM 0 H ASP A 94 2.821 -8.562 8.759 1.00 72.14 H new ATOM 0 HA ASP A 94 0.496 -9.518 10.017 1.00 74.50 H new ATOM 0 HB2 ASP A 94 1.822 -7.816 11.063 1.00 42.44 H new ATOM 0 HB3 ASP A 94 1.737 -6.773 9.658 1.00 42.44 H new ATOM 1559 N GLN A 95 0.010 -7.636 7.353 1.00 71.14 N ATOM 1560 CA GLN A 95 -0.989 -7.229 6.371 1.00 63.50 C ATOM 1561 C GLN A 95 -1.661 -8.446 5.742 1.00 1.44 C ATOM 1562 O GLN A 95 -2.888 -8.552 5.727 1.00 43.03 O ATOM 1563 CB GLN A 95 -0.344 -6.369 5.283 1.00 60.11 C ATOM 1564 CG GLN A 95 -0.117 -4.926 5.703 1.00 1.12 C ATOM 1565 CD GLN A 95 -1.347 -4.061 5.510 1.00 71.32 C ATOM 1566 OE1 GLN A 95 -1.890 -3.510 6.468 1.00 23.41 O ATOM 1567 NE2 GLN A 95 -1.794 -3.937 4.266 1.00 73.43 N ATOM 0 H GLN A 95 0.960 -7.334 7.139 1.00 71.14 H new ATOM 0 HA GLN A 95 -1.750 -6.642 6.885 1.00 63.50 H new ATOM 0 HB2 GLN A 95 0.612 -6.811 5.001 1.00 60.11 H new ATOM 0 HB3 GLN A 95 -0.977 -6.385 4.396 1.00 60.11 H new ATOM 0 HG2 GLN A 95 0.180 -4.899 6.751 1.00 1.12 H new ATOM 0 HG3 GLN A 95 0.709 -4.510 5.127 1.00 1.12 H new ATOM 0 HE21 GLN A 95 -1.313 -4.411 3.502 1.00 73.43 H new ATOM 0 HE22 GLN A 95 -2.618 -3.367 4.075 1.00 73.43 H new ATOM 1576 N THR A 96 -0.849 -9.362 5.224 1.00 75.31 N ATOM 1577 CA THR A 96 -1.365 -10.570 4.593 1.00 73.34 C ATOM 1578 C THR A 96 -2.189 -11.395 5.575 1.00 61.21 C ATOM 1579 O THR A 96 -3.186 -12.011 5.199 1.00 73.40 O ATOM 1580 CB THR A 96 -0.225 -11.444 4.036 1.00 53.12 C ATOM 1581 OG1 THR A 96 0.835 -11.535 4.994 1.00 40.32 O ATOM 1582 CG2 THR A 96 0.310 -10.869 2.733 1.00 74.43 C ATOM 0 H THR A 96 0.168 -9.290 5.229 1.00 75.31 H new ATOM 0 HA THR A 96 -2.002 -10.248 3.769 1.00 73.34 H new ATOM 0 HB THR A 96 -0.623 -12.440 3.839 1.00 53.12 H new ATOM 0 HG1 THR A 96 1.500 -10.838 4.814 1.00 40.32 H new ATOM 0 HG21 THR A 96 1.114 -11.503 2.359 1.00 74.43 H new ATOM 0 HG22 THR A 96 -0.493 -10.828 1.997 1.00 74.43 H new ATOM 0 HG23 THR A 96 0.693 -9.864 2.909 1.00 74.43 H new ATOM 1941 N PHE B -7 9.553 -15.463 7.568 1.00 65.15 N ATOM 1942 CA PHE B -7 10.830 -15.461 6.862 1.00 75.33 C ATOM 1943 C PHE B -7 11.966 -15.054 7.794 1.00 4.15 C ATOM 1944 O PHE B -7 12.792 -15.881 8.182 1.00 32.32 O ATOM 1945 CB PHE B -7 10.773 -14.511 5.664 1.00 75.34 C ATOM 1946 CG PHE B -7 9.837 -14.968 4.581 1.00 42.33 C ATOM 1947 CD1 PHE B -7 8.465 -14.887 4.753 1.00 53.53 C ATOM 1948 CD2 PHE B -7 10.330 -15.477 3.390 1.00 24.55 C ATOM 1949 CE1 PHE B -7 7.602 -15.307 3.758 1.00 0.41 C ATOM 1950 CE2 PHE B -7 9.472 -15.899 2.392 1.00 45.21 C ATOM 1951 CZ PHE B -7 8.106 -15.812 2.576 1.00 64.22 C ATOM 0 H1 PHE B -7 8.775 -15.456 6.878 1.00 65.15 H new ATOM 0 H2 PHE B -7 9.484 -16.316 8.159 1.00 65.15 H new ATOM 0 H3 PHE B -7 9.488 -14.618 8.171 1.00 65.15 H new ATOM 0 HA PHE B -7 11.021 -16.473 6.506 1.00 75.33 H new ATOM 0 HB2 PHE B -7 10.464 -13.524 6.008 1.00 75.34 H new ATOM 0 HB3 PHE B -7 11.774 -14.404 5.247 1.00 75.34 H new ATOM 0 HD1 PHE B -7 8.065 -14.491 5.675 1.00 53.53 H new ATOM 0 HD2 PHE B -7 11.397 -15.545 3.240 1.00 24.55 H new ATOM 0 HE1 PHE B -7 6.534 -15.240 3.905 1.00 0.41 H new ATOM 0 HE2 PHE B -7 9.869 -16.296 1.470 1.00 45.21 H new ATOM 0 HZ PHE B -7 7.433 -16.138 1.797 1.00 64.22 H new ATOM 1961 N ILE B -6 12.002 -13.774 8.150 1.00 63.13 N ATOM 1962 CA ILE B -6 13.037 -13.257 9.037 1.00 53.22 C ATOM 1963 C ILE B -6 14.429 -13.576 8.503 1.00 71.31 C ATOM 1964 O ILE B -6 15.105 -14.493 8.971 1.00 50.14 O ATOM 1965 CB ILE B -6 12.899 -13.834 10.458 1.00 5.53 C ATOM 1966 CG1 ILE B -6 11.440 -13.778 10.916 1.00 65.42 C ATOM 1967 CG2 ILE B -6 13.793 -13.073 11.427 1.00 61.41 C ATOM 1968 CD1 ILE B -6 10.837 -12.393 10.846 1.00 4.14 C ATOM 0 H ILE B -6 11.327 -13.076 7.838 1.00 63.13 H new ATOM 0 HA ILE B -6 12.906 -12.176 9.078 1.00 53.22 H new ATOM 0 HB ILE B -6 13.216 -14.877 10.443 1.00 5.53 H new ATOM 0 HG12 ILE B -6 10.848 -14.455 10.300 1.00 65.42 H new ATOM 0 HG13 ILE B -6 11.375 -14.142 11.941 1.00 65.42 H new ATOM 0 HG21 ILE B -6 13.685 -13.492 12.427 1.00 61.41 H new ATOM 0 HG22 ILE B -6 14.832 -13.159 11.108 1.00 61.41 H new ATOM 0 HG23 ILE B -6 13.503 -12.022 11.441 1.00 61.41 H new ATOM 0 HD11 ILE B -6 9.802 -12.429 11.185 1.00 4.14 H new ATOM 0 HD12 ILE B -6 11.405 -11.716 11.485 1.00 4.14 H new ATOM 0 HD13 ILE B -6 10.869 -12.034 9.817 1.00 4.14 H new ATOM 1980 N PRO B -5 14.870 -12.802 7.501 1.00 63.14 N ATOM 1981 CA PRO B -5 16.187 -12.982 6.882 1.00 4.35 C ATOM 1982 C PRO B -5 17.325 -12.588 7.818 1.00 23.21 C ATOM 1983 O PRO B -5 17.789 -11.448 7.802 1.00 52.11 O ATOM 1984 CB PRO B -5 16.142 -12.045 5.672 1.00 30.44 C ATOM 1985 CG PRO B -5 15.144 -11.001 6.038 1.00 23.44 C ATOM 1986 CD PRO B -5 14.118 -11.691 6.894 1.00 72.33 C ATOM 0 HA PRO B -5 16.377 -14.024 6.624 1.00 4.35 H new ATOM 0 HB2 PRO B -5 17.120 -11.606 5.475 1.00 30.44 H new ATOM 0 HB3 PRO B -5 15.844 -12.578 4.769 1.00 30.44 H new ATOM 0 HG2 PRO B -5 15.617 -10.182 6.580 1.00 23.44 H new ATOM 0 HG3 PRO B -5 14.684 -10.571 5.148 1.00 23.44 H new ATOM 0 HD2 PRO B -5 13.710 -11.021 7.651 1.00 72.33 H new ATOM 0 HD3 PRO B -5 13.277 -12.052 6.301 1.00 72.33 H new ATOM 1994 N SER B -4 17.772 -13.539 8.632 1.00 34.34 N ATOM 1995 CA SER B -4 18.854 -13.291 9.578 1.00 53.53 C ATOM 1996 C SER B -4 20.159 -13.909 9.085 1.00 55.43 C ATOM 1997 O SER B -4 20.976 -14.375 9.878 1.00 0.13 O ATOM 1998 CB SER B -4 18.497 -13.855 10.954 1.00 32.11 C ATOM 1999 OG SER B -4 19.502 -13.553 11.906 1.00 44.13 O ATOM 0 H SER B -4 17.401 -14.489 8.655 1.00 34.34 H new ATOM 0 HA SER B -4 18.991 -12.213 9.660 1.00 53.53 H new ATOM 0 HB2 SER B -4 17.544 -13.442 11.284 1.00 32.11 H new ATOM 0 HB3 SER B -4 18.369 -14.935 10.886 1.00 32.11 H new ATOM 0 HG SER B -4 20.385 -13.648 11.491 1.00 44.13 H new ATOM 2005 N ARG B -3 20.346 -13.908 7.769 1.00 60.20 N ATOM 2006 CA ARG B -3 21.550 -14.470 7.169 1.00 42.43 C ATOM 2007 C ARG B -3 22.585 -13.380 6.905 1.00 3.24 C ATOM 2008 O ARG B -3 22.272 -12.190 6.857 1.00 32.20 O ATOM 2009 CB ARG B -3 21.207 -15.188 5.863 1.00 62.35 C ATOM 2010 CG ARG B -3 19.745 -15.587 5.753 1.00 74.03 C ATOM 2011 CD ARG B -3 19.520 -16.575 4.619 1.00 62.21 C ATOM 2012 NE ARG B -3 19.911 -17.932 4.990 1.00 24.42 N ATOM 2013 CZ ARG B -3 19.222 -18.691 5.836 1.00 44.54 C ATOM 2014 NH1 ARG B -3 18.113 -18.227 6.394 1.00 11.30 N ATOM 2015 NH2 ARG B -3 19.643 -19.916 6.124 1.00 54.23 N ATOM 0 H ARG B -3 19.680 -13.525 7.099 1.00 60.20 H new ATOM 0 HA ARG B -3 21.974 -15.188 7.871 1.00 42.43 H new ATOM 0 HB2 ARG B -3 21.462 -14.540 5.024 1.00 62.35 H new ATOM 0 HB3 ARG B -3 21.826 -16.081 5.776 1.00 62.35 H new ATOM 0 HG2 ARG B -3 19.416 -16.030 6.693 1.00 74.03 H new ATOM 0 HG3 ARG B -3 19.136 -14.698 5.589 1.00 74.03 H new ATOM 0 HD2 ARG B -3 18.468 -16.566 4.334 1.00 62.21 H new ATOM 0 HD3 ARG B -3 20.090 -16.260 3.745 1.00 62.21 H new ATOM 0 HE ARG B -3 20.760 -18.319 4.577 1.00 24.42 H new ATOM 0 HH11 ARG B -3 17.787 -17.286 6.174 1.00 11.30 H new ATOM 0 HH12 ARG B -3 17.586 -18.811 7.043 1.00 11.30 H new ATOM 0 HH21 ARG B -3 20.496 -20.276 5.696 1.00 54.23 H new ATOM 0 HH22 ARG B -3 19.114 -20.498 6.773 1.00 54.23 H new ATOM 2029 N PRO B -2 23.849 -13.794 6.732 1.00 43.53 N ATOM 2030 CA PRO B -2 24.956 -12.869 6.471 1.00 41.55 C ATOM 2031 C PRO B -2 24.869 -12.237 5.086 1.00 50.45 C ATOM 2032 O PRO B -2 25.047 -12.912 4.072 1.00 24.05 O ATOM 2033 CB PRO B -2 26.196 -13.760 6.574 1.00 32.43 C ATOM 2034 CG PRO B -2 25.705 -15.130 6.256 1.00 74.41 C ATOM 2035 CD PRO B -2 24.295 -15.196 6.776 1.00 23.22 C ATOM 0 HA PRO B -2 24.958 -12.030 7.167 1.00 41.55 H new ATOM 0 HB2 PRO B -2 26.970 -13.444 5.874 1.00 32.43 H new ATOM 0 HB3 PRO B -2 26.632 -13.717 7.572 1.00 32.43 H new ATOM 0 HG2 PRO B -2 25.734 -15.315 5.182 1.00 74.41 H new ATOM 0 HG3 PRO B -2 26.331 -15.888 6.727 1.00 74.41 H new ATOM 0 HD2 PRO B -2 23.668 -15.837 6.156 1.00 23.22 H new ATOM 0 HD3 PRO B -2 24.259 -15.598 7.789 1.00 23.22 H new ATOM 2043 N ALA B -1 24.594 -10.937 5.049 1.00 0.25 N ATOM 2044 CA ALA B -1 24.486 -10.214 3.789 1.00 51.44 C ATOM 2045 C ALA B -1 25.692 -10.484 2.896 1.00 42.34 C ATOM 2046 O ALA B -1 26.802 -10.018 3.153 1.00 2.40 O ATOM 2047 CB ALA B -1 24.342 -8.721 4.047 1.00 73.11 C ATOM 0 H ALA B -1 24.442 -10.363 5.878 1.00 0.25 H new ATOM 0 HA ALA B -1 23.596 -10.569 3.270 1.00 51.44 H new ATOM 0 HB1 ALA B -1 24.262 -8.194 3.096 1.00 73.11 H new ATOM 0 HB2 ALA B -1 23.445 -8.539 4.639 1.00 73.11 H new ATOM 0 HB3 ALA B -1 25.215 -8.360 4.590 1.00 73.11 H new ATOM 2053 N PRO B 0 25.473 -11.255 1.820 1.00 14.04 N ATOM 2054 CA PRO B 0 26.530 -11.605 0.868 1.00 44.43 C ATOM 2055 C PRO B 0 26.982 -10.407 0.038 1.00 23.43 C ATOM 2056 O PRO B 0 26.182 -9.534 -0.297 1.00 44.34 O ATOM 2057 CB PRO B 0 25.869 -12.656 -0.027 1.00 13.30 C ATOM 2058 CG PRO B 0 24.410 -12.364 0.060 1.00 5.33 C ATOM 2059 CD PRO B 0 24.175 -11.845 1.452 1.00 53.22 C ATOM 0 HA PRO B 0 27.430 -11.959 1.371 1.00 44.43 H new ATOM 0 HB2 PRO B 0 26.227 -12.583 -1.054 1.00 13.30 H new ATOM 0 HB3 PRO B 0 26.092 -13.666 0.317 1.00 13.30 H new ATOM 0 HG2 PRO B 0 24.114 -11.627 -0.687 1.00 5.33 H new ATOM 0 HG3 PRO B 0 23.820 -13.261 -0.127 1.00 5.33 H new ATOM 0 HD2 PRO B 0 23.376 -11.104 1.475 1.00 53.22 H new ATOM 0 HD3 PRO B 0 23.889 -12.644 2.136 1.00 53.22 H new ATOM 2067 N LYS B 1 28.269 -10.373 -0.290 1.00 64.11 N ATOM 2068 CA LYS B 1 28.829 -9.284 -1.082 1.00 74.11 C ATOM 2069 C LYS B 1 28.918 -9.672 -2.555 1.00 31.45 C ATOM 2070 O LYS B 1 29.308 -10.786 -2.905 1.00 70.30 O ATOM 2071 CB LYS B 1 30.216 -8.906 -0.559 1.00 11.54 C ATOM 2072 CG LYS B 1 30.923 -7.864 -1.408 1.00 63.13 C ATOM 2073 CD LYS B 1 32.373 -7.692 -0.987 1.00 62.34 C ATOM 2074 CE LYS B 1 32.482 -7.176 0.439 1.00 1.40 C ATOM 2075 NZ LYS B 1 31.831 -5.846 0.598 1.00 0.25 N ATOM 0 H LYS B 1 28.945 -11.088 -0.019 1.00 64.11 H new ATOM 0 HA LYS B 1 28.166 -8.424 -0.990 1.00 74.11 H new ATOM 0 HB2 LYS B 1 30.121 -8.529 0.459 1.00 11.54 H new ATOM 0 HB3 LYS B 1 30.834 -9.803 -0.510 1.00 11.54 H new ATOM 0 HG2 LYS B 1 30.880 -8.158 -2.457 1.00 63.13 H new ATOM 0 HG3 LYS B 1 30.403 -6.910 -1.323 1.00 63.13 H new ATOM 0 HD2 LYS B 1 32.893 -8.646 -1.070 1.00 62.34 H new ATOM 0 HD3 LYS B 1 32.870 -6.998 -1.665 1.00 62.34 H new ATOM 0 HE2 LYS B 1 32.020 -7.890 1.120 1.00 1.40 H new ATOM 0 HE3 LYS B 1 33.533 -7.102 0.719 1.00 1.40 H new ATOM 0 HZ1 LYS B 1 32.124 -5.422 1.501 1.00 0.25 H new ATOM 0 HZ2 LYS B 1 32.116 -5.224 -0.185 1.00 0.25 H new ATOM 0 HZ3 LYS B 1 30.798 -5.962 0.589 1.00 0.25 H new ATOM 2089 N PRO B 2 28.550 -8.733 -3.438 1.00 72.25 N ATOM 2090 CA PRO B 2 28.582 -8.954 -4.887 1.00 53.33 C ATOM 2091 C PRO B 2 30.004 -9.045 -5.429 1.00 4.14 C ATOM 2092 O PRO B 2 30.973 -8.686 -4.759 1.00 42.41 O ATOM 2093 CB PRO B 2 27.874 -7.719 -5.450 1.00 13.31 C ATOM 2094 CG PRO B 2 28.067 -6.666 -4.413 1.00 70.33 C ATOM 2095 CD PRO B 2 28.074 -7.383 -3.092 1.00 25.34 C ATOM 0 HA PRO B 2 28.111 -9.897 -5.165 1.00 53.33 H new ATOM 0 HB2 PRO B 2 28.304 -7.417 -6.405 1.00 13.31 H new ATOM 0 HB3 PRO B 2 26.816 -7.914 -5.624 1.00 13.31 H new ATOM 0 HG2 PRO B 2 29.003 -6.130 -4.571 1.00 70.33 H new ATOM 0 HG3 PRO B 2 27.266 -5.928 -4.452 1.00 70.33 H new ATOM 0 HD2 PRO B 2 28.734 -6.896 -2.374 1.00 25.34 H new ATOM 0 HD3 PRO B 2 27.081 -7.410 -2.644 1.00 25.34 H new ATOM 2103 N PRO B 3 30.136 -9.536 -6.670 1.00 31.33 N ATOM 2104 CA PRO B 3 31.437 -9.685 -7.328 1.00 51.15 C ATOM 2105 C PRO B 3 32.061 -8.341 -7.689 1.00 21.20 C ATOM 2106 O PRO B 3 31.731 -7.748 -8.716 1.00 61.30 O ATOM 2107 CB PRO B 3 31.105 -10.477 -8.595 1.00 74.23 C ATOM 2108 CG PRO B 3 29.673 -10.170 -8.870 1.00 31.05 C ATOM 2109 CD PRO B 3 29.024 -9.984 -7.526 1.00 25.24 C ATOM 0 HA PRO B 3 32.167 -10.173 -6.682 1.00 51.15 H new ATOM 0 HB2 PRO B 3 31.741 -10.177 -9.428 1.00 74.23 H new ATOM 0 HB3 PRO B 3 31.259 -11.546 -8.446 1.00 74.23 H new ATOM 0 HG2 PRO B 3 29.576 -9.270 -9.478 1.00 31.05 H new ATOM 0 HG3 PRO B 3 29.199 -10.981 -9.423 1.00 31.05 H new ATOM 0 HD2 PRO B 3 28.224 -9.245 -7.565 1.00 25.24 H new ATOM 0 HD3 PRO B 3 28.584 -10.912 -7.160 1.00 25.24 H new