USER MOD reduce.3.24.130724 H: found=0, std=0, add=751, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 749 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 25 LYS NZ :NH3+ 151:sc= -0.422 (180deg=0) USER MOD Set 1.2: A 42 LYS NZ :NH3+ 179:sc= -0.483 (180deg=0) USER MOD Set 1.3: A 66 LYS NZ :NH3+ -137:sc= 0.879 (180deg=-1.16) USER MOD Set 2.1: A 26 THR OG1 : rot -170:sc= -0.0292 USER MOD Set 2.2: A 71 ASN : amide:sc= -0.624 K(o=-0.65,f=-1.6) USER MOD Single : A 1 VAL N :NH3+ 180:sc= -1.06 (180deg=-1.06) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot -8:sc= 0.281! USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= -0.599 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN :FLIP amide:sc= 0 F(o=-0.62,f=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot -120:sc= -0.943 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot -82:sc= 0.956 USER MOD Single : A 46 LYS NZ :NH3+ -159:sc= 0.217 (180deg=0.0772) USER MOD Single : A 52 GLN : amide:sc= -0.134 K(o=-0.13,f=-0.97) USER MOD Single : A 54 THR OG1 : rot 180:sc= -1.99! USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 MET CE :methyl 168:sc= -6.19! (180deg=-6.56!) USER MOD Single : A 67 SER OG : rot 127:sc= -1.13 USER MOD Single : A 68 ASN : amide:sc= -4.57 K(o=-4.6,f=-7.3!) USER MOD Single : A 69 THR OG1 : rot 16:sc= 0.115 USER MOD Single : A 72 ASN : amide:sc= -0.109 X(o=-0.11,f=-0.11) USER MOD Single : A 73 MET CE :methyl -146:sc= -1.7 (180deg=-2.88) USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.0124 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 GLN :FLIP amide:sc= 0.648 F(o=-0.0051,f=0.65) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc=-0.00661 USER MOD Single : A 86 ASN : amide:sc= -0.327 K(o=-0.33,f=-2.9!) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot -20:sc= 0.879 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 0.479 15.061 -4.445 1.00 0.00 N ATOM 2 CA VAL A 1 -0.028 15.908 -3.380 1.00 0.00 C ATOM 3 C VAL A 1 0.888 15.790 -2.160 1.00 0.00 C ATOM 4 O VAL A 1 1.298 16.799 -1.588 1.00 0.00 O ATOM 5 CB VAL A 1 -1.483 15.549 -3.071 1.00 0.00 C ATOM 6 CG1 VAL A 1 -2.399 15.918 -4.240 1.00 0.00 C ATOM 7 CG2 VAL A 1 -1.617 14.067 -2.715 1.00 0.00 C ATOM 0 H1 VAL A 1 -0.142 15.139 -5.276 1.00 0.00 H new ATOM 0 H2 VAL A 1 1.440 15.364 -4.701 1.00 0.00 H new ATOM 0 H3 VAL A 1 0.502 14.073 -4.122 1.00 0.00 H new ATOM 0 HA VAL A 1 -0.024 16.953 -3.690 1.00 0.00 H new ATOM 0 HB VAL A 1 -1.796 16.132 -2.204 1.00 0.00 H new ATOM 0 HG11 VAL A 1 -3.427 15.652 -3.994 1.00 0.00 H new ATOM 0 HG12 VAL A 1 -2.336 16.990 -4.427 1.00 0.00 H new ATOM 0 HG13 VAL A 1 -2.087 15.375 -5.132 1.00 0.00 H new ATOM 0 HG21 VAL A 1 -2.661 13.837 -2.500 1.00 0.00 H new ATOM 0 HG22 VAL A 1 -1.277 13.459 -3.554 1.00 0.00 H new ATOM 0 HG23 VAL A 1 -1.009 13.847 -1.838 1.00 0.00 H new ATOM 17 N GLY A 2 1.184 14.550 -1.800 1.00 0.00 N ATOM 18 CA GLY A 2 2.044 14.287 -0.659 1.00 0.00 C ATOM 19 C GLY A 2 3.329 13.579 -1.093 1.00 0.00 C ATOM 20 O GLY A 2 3.802 13.774 -2.212 1.00 0.00 O ATOM 0 H GLY A 2 0.843 13.716 -2.279 1.00 0.00 H new ATOM 0 HA2 GLY A 2 2.291 15.225 -0.162 1.00 0.00 H new ATOM 0 HA3 GLY A 2 1.513 13.672 0.067 1.00 0.00 H new ATOM 24 N SER A 3 3.857 12.772 -0.185 1.00 0.00 N ATOM 25 CA SER A 3 5.078 12.034 -0.460 1.00 0.00 C ATOM 26 C SER A 3 4.812 10.955 -1.512 1.00 0.00 C ATOM 27 O SER A 3 5.024 11.178 -2.703 1.00 0.00 O ATOM 28 CB SER A 3 5.641 11.404 0.816 1.00 0.00 C ATOM 29 OG SER A 3 6.831 12.055 1.253 1.00 0.00 O ATOM 0 H SER A 3 3.462 12.613 0.742 1.00 0.00 H new ATOM 0 HA SER A 3 5.820 12.733 -0.845 1.00 0.00 H new ATOM 0 HB2 SER A 3 4.891 11.452 1.605 1.00 0.00 H new ATOM 0 HB3 SER A 3 5.849 10.349 0.638 1.00 0.00 H new ATOM 0 HG SER A 3 7.158 11.625 2.071 1.00 0.00 H new ATOM 35 N GLU A 4 4.352 9.808 -1.033 1.00 0.00 N ATOM 36 CA GLU A 4 4.054 8.694 -1.917 1.00 0.00 C ATOM 37 C GLU A 4 2.604 8.771 -2.399 1.00 0.00 C ATOM 38 O GLU A 4 1.684 8.897 -1.592 1.00 0.00 O ATOM 39 CB GLU A 4 4.333 7.357 -1.227 1.00 0.00 C ATOM 40 CG GLU A 4 3.356 7.122 -0.073 1.00 0.00 C ATOM 41 CD GLU A 4 3.923 6.114 0.928 1.00 0.00 C ATOM 42 OE1 GLU A 4 4.703 6.555 1.799 1.00 0.00 O ATOM 43 OE2 GLU A 4 3.564 4.923 0.799 1.00 0.00 O ATOM 0 H GLU A 4 4.179 9.626 -0.044 1.00 0.00 H new ATOM 0 HA GLU A 4 4.708 8.760 -2.786 1.00 0.00 H new ATOM 0 HB2 GLU A 4 4.249 6.546 -1.950 1.00 0.00 H new ATOM 0 HB3 GLU A 4 5.356 7.344 -0.851 1.00 0.00 H new ATOM 0 HG2 GLU A 4 3.151 8.066 0.432 1.00 0.00 H new ATOM 0 HG3 GLU A 4 2.406 6.757 -0.464 1.00 0.00 H new ATOM 50 N VAL A 5 2.446 8.692 -3.712 1.00 0.00 N ATOM 51 CA VAL A 5 1.123 8.750 -4.310 1.00 0.00 C ATOM 52 C VAL A 5 1.059 7.781 -5.493 1.00 0.00 C ATOM 53 O VAL A 5 0.879 8.201 -6.635 1.00 0.00 O ATOM 54 CB VAL A 5 0.790 10.192 -4.700 1.00 0.00 C ATOM 55 CG1 VAL A 5 -0.664 10.312 -5.164 1.00 0.00 C ATOM 56 CG2 VAL A 5 1.077 11.153 -3.545 1.00 0.00 C ATOM 0 H VAL A 5 3.212 8.588 -4.378 1.00 0.00 H new ATOM 0 HA VAL A 5 0.365 8.437 -3.592 1.00 0.00 H new ATOM 0 HB VAL A 5 1.433 10.470 -5.535 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -0.875 11.346 -5.435 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -0.824 9.670 -6.030 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -1.330 10.005 -4.357 1.00 0.00 H new ATOM 0 HG21 VAL A 5 0.832 12.171 -3.849 1.00 0.00 H new ATOM 0 HG22 VAL A 5 0.471 10.876 -2.682 1.00 0.00 H new ATOM 0 HG23 VAL A 5 2.133 11.098 -3.280 1.00 0.00 H new ATOM 66 N SER A 6 1.210 6.504 -5.177 1.00 0.00 N ATOM 67 CA SER A 6 1.172 5.471 -6.199 1.00 0.00 C ATOM 68 C SER A 6 -0.279 5.150 -6.566 1.00 0.00 C ATOM 69 O SER A 6 -0.551 4.643 -7.652 1.00 0.00 O ATOM 70 CB SER A 6 1.893 4.206 -5.731 1.00 0.00 C ATOM 71 OG SER A 6 2.586 3.562 -6.797 1.00 0.00 O ATOM 0 H SER A 6 1.359 6.160 -4.228 1.00 0.00 H new ATOM 0 HA SER A 6 1.689 5.846 -7.082 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.600 4.462 -4.942 1.00 0.00 H new ATOM 0 HB3 SER A 6 1.169 3.515 -5.299 1.00 0.00 H new ATOM 0 HG SER A 6 3.035 2.760 -6.458 1.00 0.00 H new ATOM 77 N ASP A 7 -1.172 5.461 -5.637 1.00 0.00 N ATOM 78 CA ASP A 7 -2.588 5.213 -5.848 1.00 0.00 C ATOM 79 C ASP A 7 -3.176 6.333 -6.709 1.00 0.00 C ATOM 80 O ASP A 7 -4.112 6.107 -7.474 1.00 0.00 O ATOM 81 CB ASP A 7 -3.347 5.189 -4.521 1.00 0.00 C ATOM 82 CG ASP A 7 -3.376 3.830 -3.816 1.00 0.00 C ATOM 83 OD1 ASP A 7 -3.759 2.850 -4.490 1.00 0.00 O ATOM 84 OD2 ASP A 7 -3.014 3.804 -2.621 1.00 0.00 O ATOM 0 H ASP A 7 -0.942 5.882 -4.737 1.00 0.00 H new ATOM 0 HA ASP A 7 -2.690 4.245 -6.339 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -2.897 5.920 -3.849 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -4.373 5.510 -4.701 1.00 0.00 H new ATOM 89 N LYS A 8 -2.601 7.517 -6.555 1.00 0.00 N ATOM 90 CA LYS A 8 -3.056 8.673 -7.309 1.00 0.00 C ATOM 91 C LYS A 8 -4.457 9.064 -6.837 1.00 0.00 C ATOM 92 O LYS A 8 -4.617 10.019 -6.077 1.00 0.00 O ATOM 93 CB LYS A 8 -2.966 8.402 -8.812 1.00 0.00 C ATOM 94 CG LYS A 8 -1.744 7.544 -9.142 1.00 0.00 C ATOM 95 CD LYS A 8 -0.561 8.415 -9.569 1.00 0.00 C ATOM 96 CE LYS A 8 -0.394 8.407 -11.091 1.00 0.00 C ATOM 97 NZ LYS A 8 0.748 7.550 -11.482 1.00 0.00 N ATOM 0 H LYS A 8 -1.825 7.701 -5.920 1.00 0.00 H new ATOM 0 HA LYS A 8 -2.406 9.529 -7.124 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -3.871 7.897 -9.149 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -2.908 9.347 -9.353 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -1.467 6.950 -8.271 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -1.992 6.844 -9.940 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -0.713 9.437 -9.222 1.00 0.00 H new ATOM 0 HD3 LYS A 8 0.352 8.051 -9.098 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -1.307 8.043 -11.561 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -0.234 9.423 -11.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 0.848 7.555 -12.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 1.620 7.915 -11.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 0.580 6.577 -11.156 1.00 0.00 H new ATOM 111 N ARG A 9 -5.438 8.308 -7.306 1.00 0.00 N ATOM 112 CA ARG A 9 -6.821 8.564 -6.942 1.00 0.00 C ATOM 113 C ARG A 9 -7.506 7.264 -6.512 1.00 0.00 C ATOM 114 O ARG A 9 -7.813 7.079 -5.336 1.00 0.00 O ATOM 115 CB ARG A 9 -7.594 9.178 -8.111 1.00 0.00 C ATOM 116 CG ARG A 9 -8.768 10.022 -7.609 1.00 0.00 C ATOM 117 CD ARG A 9 -8.894 11.318 -8.413 1.00 0.00 C ATOM 118 NE ARG A 9 -10.305 11.763 -8.436 1.00 0.00 N ATOM 119 CZ ARG A 9 -10.825 12.562 -9.378 1.00 0.00 C ATOM 120 NH1 ARG A 9 -10.054 13.009 -10.379 1.00 0.00 N ATOM 121 NH2 ARG A 9 -12.116 12.915 -9.319 1.00 0.00 N ATOM 0 H ARG A 9 -5.303 7.517 -7.936 1.00 0.00 H new ATOM 0 HA ARG A 9 -6.820 9.270 -6.112 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -6.925 9.798 -8.708 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -7.963 8.387 -8.763 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -9.692 9.449 -7.688 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -8.627 10.256 -6.554 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -8.267 12.092 -7.971 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -8.537 11.161 -9.431 1.00 0.00 H new ATOM 0 HE ARG A 9 -10.920 11.442 -7.688 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -9.071 12.741 -10.424 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -10.450 13.617 -11.096 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -12.703 12.576 -8.557 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -12.512 13.523 -10.036 1.00 0.00 H new ATOM 135 N THR A 10 -7.726 6.398 -7.490 1.00 0.00 N ATOM 136 CA THR A 10 -8.369 5.121 -7.229 1.00 0.00 C ATOM 137 C THR A 10 -8.065 4.130 -8.355 1.00 0.00 C ATOM 138 O THR A 10 -6.978 3.559 -8.406 1.00 0.00 O ATOM 139 CB THR A 10 -9.864 5.376 -7.031 1.00 0.00 C ATOM 140 OG1 THR A 10 -9.934 6.095 -5.802 1.00 0.00 O ATOM 141 CG2 THR A 10 -10.647 4.091 -6.756 1.00 0.00 C ATOM 0 H THR A 10 -7.470 6.555 -8.465 1.00 0.00 H new ATOM 0 HA THR A 10 -7.980 4.661 -6.321 1.00 0.00 H new ATOM 0 HB THR A 10 -10.269 5.864 -7.918 1.00 0.00 H new ATOM 0 HG1 THR A 10 -9.048 6.113 -5.383 1.00 0.00 H new ATOM 0 HG21 THR A 10 -11.702 4.329 -6.623 1.00 0.00 H new ATOM 0 HG22 THR A 10 -10.532 3.408 -7.598 1.00 0.00 H new ATOM 0 HG23 THR A 10 -10.265 3.619 -5.851 1.00 0.00 H new ATOM 149 N CYS A 11 -9.046 3.958 -9.229 1.00 0.00 N ATOM 150 CA CYS A 11 -8.897 3.047 -10.350 1.00 0.00 C ATOM 151 C CYS A 11 -10.188 3.082 -11.172 1.00 0.00 C ATOM 152 O CYS A 11 -10.841 4.120 -11.265 1.00 0.00 O ATOM 153 CB CYS A 11 -8.556 1.629 -9.886 1.00 0.00 C ATOM 154 SG CYS A 11 -9.930 0.735 -9.073 1.00 0.00 S ATOM 0 H CYS A 11 -9.947 4.434 -9.183 1.00 0.00 H new ATOM 0 HA CYS A 11 -8.061 3.366 -10.972 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -8.224 1.050 -10.748 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -7.715 1.681 -9.194 1.00 0.00 H new ATOM 159 N VAL A 12 -10.517 1.935 -11.748 1.00 0.00 N ATOM 160 CA VAL A 12 -11.716 1.822 -12.560 1.00 0.00 C ATOM 161 C VAL A 12 -12.899 1.447 -11.664 1.00 0.00 C ATOM 162 O VAL A 12 -13.651 2.316 -11.227 1.00 0.00 O ATOM 163 CB VAL A 12 -11.487 0.824 -13.696 1.00 0.00 C ATOM 164 CG1 VAL A 12 -12.783 0.565 -14.468 1.00 0.00 C ATOM 165 CG2 VAL A 12 -10.378 1.305 -14.633 1.00 0.00 C ATOM 0 H VAL A 12 -9.974 1.076 -11.668 1.00 0.00 H new ATOM 0 HA VAL A 12 -11.952 2.778 -13.028 1.00 0.00 H new ATOM 0 HB VAL A 12 -11.166 -0.119 -13.254 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -12.592 -0.148 -15.270 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -13.534 0.158 -13.791 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -13.147 1.501 -14.893 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -10.235 0.577 -15.432 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -10.657 2.267 -15.064 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -9.450 1.415 -14.072 1.00 0.00 H new ATOM 175 N SER A 13 -13.025 0.152 -11.416 1.00 0.00 N ATOM 176 CA SER A 13 -14.103 -0.350 -10.580 1.00 0.00 C ATOM 177 C SER A 13 -13.526 -1.043 -9.343 1.00 0.00 C ATOM 178 O SER A 13 -12.356 -0.859 -9.014 1.00 0.00 O ATOM 179 CB SER A 13 -15.001 -1.313 -11.359 1.00 0.00 C ATOM 180 OG SER A 13 -14.347 -2.549 -11.632 1.00 0.00 O ATOM 0 H SER A 13 -12.398 -0.566 -11.779 1.00 0.00 H new ATOM 0 HA SER A 13 -14.713 0.496 -10.263 1.00 0.00 H new ATOM 0 HB2 SER A 13 -15.911 -1.502 -10.789 1.00 0.00 H new ATOM 0 HB3 SER A 13 -15.304 -0.848 -12.297 1.00 0.00 H new ATOM 0 HG SER A 13 -14.953 -3.137 -12.129 1.00 0.00 H new ATOM 186 N LEU A 14 -14.376 -1.825 -8.694 1.00 0.00 N ATOM 187 CA LEU A 14 -13.967 -2.545 -7.501 1.00 0.00 C ATOM 188 C LEU A 14 -14.006 -4.050 -7.780 1.00 0.00 C ATOM 189 O LEU A 14 -15.055 -4.680 -7.659 1.00 0.00 O ATOM 190 CB LEU A 14 -14.815 -2.121 -6.300 1.00 0.00 C ATOM 191 CG LEU A 14 -14.282 -0.939 -5.487 1.00 0.00 C ATOM 192 CD1 LEU A 14 -15.305 -0.488 -4.442 1.00 0.00 C ATOM 193 CD2 LEU A 14 -12.929 -1.272 -4.858 1.00 0.00 C ATOM 0 H LEU A 14 -15.346 -1.975 -8.972 1.00 0.00 H new ATOM 0 HA LEU A 14 -12.939 -2.294 -7.240 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -15.814 -1.870 -6.656 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -14.920 -2.977 -5.634 1.00 0.00 H new ATOM 0 HG LEU A 14 -14.123 -0.101 -6.166 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -14.902 0.353 -3.878 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -16.225 -0.183 -4.941 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -15.518 -1.313 -3.762 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -12.573 -0.415 -4.286 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -13.037 -2.131 -4.196 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -12.211 -1.508 -5.643 1.00 0.00 H new ATOM 205 N THR A 15 -12.851 -4.580 -8.150 1.00 0.00 N ATOM 206 CA THR A 15 -12.739 -5.998 -8.448 1.00 0.00 C ATOM 207 C THR A 15 -13.301 -6.296 -9.839 1.00 0.00 C ATOM 208 O THR A 15 -13.036 -5.563 -10.790 1.00 0.00 O ATOM 209 CB THR A 15 -13.442 -6.772 -7.331 1.00 0.00 C ATOM 210 OG1 THR A 15 -13.117 -6.047 -6.148 1.00 0.00 O ATOM 211 CG2 THR A 15 -12.826 -8.155 -7.100 1.00 0.00 C ATOM 0 H THR A 15 -11.983 -4.053 -8.251 1.00 0.00 H new ATOM 0 HA THR A 15 -11.697 -6.315 -8.478 1.00 0.00 H new ATOM 0 HB THR A 15 -14.499 -6.880 -7.574 1.00 0.00 H new ATOM 0 HG1 THR A 15 -13.534 -6.480 -5.374 1.00 0.00 H new ATOM 0 HG21 THR A 15 -13.361 -8.662 -6.297 1.00 0.00 H new ATOM 0 HG22 THR A 15 -12.900 -8.744 -8.014 1.00 0.00 H new ATOM 0 HG23 THR A 15 -11.777 -8.045 -6.823 1.00 0.00 H new ATOM 219 N THR A 16 -14.067 -7.375 -9.915 1.00 0.00 N ATOM 220 CA THR A 16 -14.668 -7.780 -11.174 1.00 0.00 C ATOM 221 C THR A 16 -13.663 -8.568 -12.016 1.00 0.00 C ATOM 222 O THR A 16 -14.011 -9.092 -13.073 1.00 0.00 O ATOM 223 CB THR A 16 -15.192 -6.523 -11.872 1.00 0.00 C ATOM 224 OG1 THR A 16 -16.459 -6.918 -12.391 1.00 0.00 O ATOM 225 CG2 THR A 16 -14.377 -6.160 -13.115 1.00 0.00 C ATOM 0 H THR A 16 -14.285 -7.981 -9.124 1.00 0.00 H new ATOM 0 HA THR A 16 -15.508 -8.455 -11.013 1.00 0.00 H new ATOM 0 HB THR A 16 -15.178 -5.687 -11.173 1.00 0.00 H new ATOM 0 HG1 THR A 16 -16.871 -6.162 -12.859 1.00 0.00 H new ATOM 0 HG21 THR A 16 -14.791 -5.261 -13.572 1.00 0.00 H new ATOM 0 HG22 THR A 16 -13.341 -5.978 -12.830 1.00 0.00 H new ATOM 0 HG23 THR A 16 -14.418 -6.982 -13.830 1.00 0.00 H new ATOM 233 N GLN A 17 -12.438 -8.626 -11.516 1.00 0.00 N ATOM 234 CA GLN A 17 -11.380 -9.342 -12.209 1.00 0.00 C ATOM 235 C GLN A 17 -10.480 -10.062 -11.204 1.00 0.00 C ATOM 236 O GLN A 17 -9.471 -9.513 -10.763 1.00 0.00 O ATOM 237 CB GLN A 17 -10.567 -8.396 -13.095 1.00 0.00 C ATOM 238 CG GLN A 17 -9.975 -7.249 -12.273 1.00 0.00 C ATOM 239 CD GLN A 17 -9.631 -6.055 -13.167 1.00 0.00 C ATOM 240 OE1 GLN A 17 -10.643 -5.214 -13.359 1.00 0.00 O flip ATOM 241 NE2 GLN A 17 -8.519 -5.909 -13.649 1.00 0.00 N flip ATOM 0 H GLN A 17 -12.154 -8.189 -10.639 1.00 0.00 H new ATOM 0 HA GLN A 17 -11.838 -10.089 -12.857 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -9.765 -8.949 -13.584 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -11.203 -7.993 -13.883 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -10.686 -6.941 -11.507 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -9.078 -7.592 -11.757 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -7.787 -6.594 -13.460 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -8.322 -5.102 -14.240 1.00 0.00 H new ATOM 250 N ARG A 18 -10.875 -11.282 -10.870 1.00 0.00 N ATOM 251 CA ARG A 18 -10.116 -12.083 -9.925 1.00 0.00 C ATOM 252 C ARG A 18 -8.782 -12.508 -10.541 1.00 0.00 C ATOM 253 O ARG A 18 -8.513 -13.699 -10.686 1.00 0.00 O ATOM 254 CB ARG A 18 -10.898 -13.331 -9.508 1.00 0.00 C ATOM 255 CG ARG A 18 -10.845 -13.529 -7.991 1.00 0.00 C ATOM 256 CD ARG A 18 -10.651 -15.005 -7.638 1.00 0.00 C ATOM 257 NE ARG A 18 -9.409 -15.179 -6.853 1.00 0.00 N ATOM 258 CZ ARG A 18 -8.187 -15.281 -7.393 1.00 0.00 C ATOM 259 NH1 ARG A 18 -8.035 -15.229 -8.723 1.00 0.00 N ATOM 260 NH2 ARG A 18 -7.116 -15.437 -6.602 1.00 0.00 N ATOM 0 H ARG A 18 -11.712 -11.735 -11.237 1.00 0.00 H new ATOM 0 HA ARG A 18 -9.934 -11.470 -9.042 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -11.935 -13.239 -9.831 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -10.485 -14.207 -10.008 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -10.029 -12.941 -7.572 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -11.767 -13.162 -7.540 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -11.506 -15.366 -7.066 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -10.602 -15.602 -8.549 1.00 0.00 H new ATOM 0 HE ARG A 18 -9.488 -15.224 -5.837 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -8.850 -15.112 -9.325 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -7.104 -15.307 -9.133 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -7.232 -15.478 -5.589 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -6.186 -15.515 -7.013 1.00 0.00 H new ATOM 274 N LEU A 19 -7.981 -11.510 -10.886 1.00 0.00 N ATOM 275 CA LEU A 19 -6.681 -11.766 -11.483 1.00 0.00 C ATOM 276 C LEU A 19 -5.851 -12.634 -10.536 1.00 0.00 C ATOM 277 O LEU A 19 -6.085 -12.639 -9.327 1.00 0.00 O ATOM 278 CB LEU A 19 -6.000 -10.450 -11.867 1.00 0.00 C ATOM 279 CG LEU A 19 -5.474 -9.604 -10.705 1.00 0.00 C ATOM 280 CD1 LEU A 19 -4.374 -8.651 -11.177 1.00 0.00 C ATOM 281 CD2 LEU A 19 -6.614 -8.863 -10.006 1.00 0.00 C ATOM 0 H LEU A 19 -8.207 -10.523 -10.763 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.792 -12.325 -12.412 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.167 -10.676 -12.533 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -6.709 -9.849 -12.436 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.028 -10.273 -9.969 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.017 -8.061 -10.333 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.547 -9.227 -11.593 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.773 -7.985 -11.942 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -6.213 -8.270 -9.184 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -7.112 -8.206 -10.719 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -7.332 -9.585 -9.616 1.00 0.00 H new ATOM 293 N PRO A 20 -4.876 -13.367 -11.135 1.00 0.00 N ATOM 294 CA PRO A 20 -4.010 -14.237 -10.357 1.00 0.00 C ATOM 295 C PRO A 20 -2.972 -13.427 -9.580 1.00 0.00 C ATOM 296 O PRO A 20 -2.482 -12.410 -10.067 1.00 0.00 O ATOM 297 CB PRO A 20 -3.387 -15.182 -11.373 1.00 0.00 C ATOM 298 CG PRO A 20 -3.564 -14.513 -12.726 1.00 0.00 C ATOM 299 CD PRO A 20 -4.571 -13.387 -12.562 1.00 0.00 C ATOM 0 HA PRO A 20 -4.552 -14.795 -9.593 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -2.332 -15.350 -11.155 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -3.876 -16.156 -11.352 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -2.612 -14.124 -13.087 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -3.914 -15.234 -13.465 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -4.157 -12.434 -12.892 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -5.467 -13.568 -13.156 1.00 0.00 H new ATOM 307 N VAL A 21 -2.667 -13.907 -8.383 1.00 0.00 N ATOM 308 CA VAL A 21 -1.696 -13.239 -7.533 1.00 0.00 C ATOM 309 C VAL A 21 -0.350 -13.173 -8.259 1.00 0.00 C ATOM 310 O VAL A 21 0.429 -12.246 -8.043 1.00 0.00 O ATOM 311 CB VAL A 21 -1.611 -13.947 -6.179 1.00 0.00 C ATOM 312 CG1 VAL A 21 -0.599 -13.257 -5.263 1.00 0.00 C ATOM 313 CG2 VAL A 21 -2.987 -14.025 -5.515 1.00 0.00 C ATOM 0 H VAL A 21 -3.076 -14.751 -7.982 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.007 -12.214 -7.330 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.265 -14.966 -6.354 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -0.558 -13.780 -4.307 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.386 -13.276 -5.730 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -0.903 -12.223 -5.098 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -2.899 -14.533 -4.554 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.373 -13.018 -5.359 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.670 -14.580 -6.158 1.00 0.00 H new ATOM 323 N SER A 22 -0.120 -14.167 -9.102 1.00 0.00 N ATOM 324 CA SER A 22 1.118 -14.233 -9.860 1.00 0.00 C ATOM 325 C SER A 22 1.251 -12.999 -10.755 1.00 0.00 C ATOM 326 O SER A 22 2.342 -12.453 -10.907 1.00 0.00 O ATOM 327 CB SER A 22 1.180 -15.509 -10.703 1.00 0.00 C ATOM 328 OG SER A 22 2.460 -16.132 -10.635 1.00 0.00 O ATOM 0 H SER A 22 -0.769 -14.934 -9.278 1.00 0.00 H new ATOM 0 HA SER A 22 1.949 -14.254 -9.155 1.00 0.00 H new ATOM 0 HB2 SER A 22 0.418 -16.208 -10.359 1.00 0.00 H new ATOM 0 HB3 SER A 22 0.948 -15.270 -11.741 1.00 0.00 H new ATOM 0 HG SER A 22 2.458 -16.943 -11.185 1.00 0.00 H new ATOM 334 N ARG A 23 0.124 -12.596 -11.323 1.00 0.00 N ATOM 335 CA ARG A 23 0.100 -11.436 -12.198 1.00 0.00 C ATOM 336 C ARG A 23 -0.051 -10.155 -11.377 1.00 0.00 C ATOM 337 O ARG A 23 -0.105 -9.059 -11.934 1.00 0.00 O ATOM 338 CB ARG A 23 -1.050 -11.528 -13.204 1.00 0.00 C ATOM 339 CG ARG A 23 -0.520 -11.721 -14.626 1.00 0.00 C ATOM 340 CD ARG A 23 0.012 -13.142 -14.825 1.00 0.00 C ATOM 341 NE ARG A 23 0.130 -13.440 -16.269 1.00 0.00 N ATOM 342 CZ ARG A 23 0.318 -14.669 -16.770 1.00 0.00 C ATOM 343 NH1 ARG A 23 0.410 -15.721 -15.946 1.00 0.00 N ATOM 344 NH2 ARG A 23 0.414 -14.845 -18.095 1.00 0.00 N ATOM 0 H ARG A 23 -0.779 -13.052 -11.194 1.00 0.00 H new ATOM 0 HA ARG A 23 1.043 -11.413 -12.743 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -1.704 -12.359 -12.940 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -1.653 -10.621 -13.157 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -1.315 -11.523 -15.344 1.00 0.00 H new ATOM 0 HG3 ARG A 23 0.274 -11.001 -14.823 1.00 0.00 H new ATOM 0 HD2 ARG A 23 0.984 -13.246 -14.343 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -0.657 -13.860 -14.351 1.00 0.00 H new ATOM 0 HE ARG A 23 0.064 -12.661 -16.925 1.00 0.00 H new ATOM 0 HH11 ARG A 23 0.337 -15.587 -14.938 1.00 0.00 H new ATOM 0 HH12 ARG A 23 0.553 -16.656 -16.327 1.00 0.00 H new ATOM 0 HH21 ARG A 23 0.344 -14.044 -18.722 1.00 0.00 H new ATOM 0 HH22 ARG A 23 0.557 -15.780 -18.476 1.00 0.00 H new ATOM 358 N ILE A 24 -0.115 -10.333 -10.066 1.00 0.00 N ATOM 359 CA ILE A 24 -0.259 -9.205 -9.162 1.00 0.00 C ATOM 360 C ILE A 24 1.105 -8.864 -8.557 1.00 0.00 C ATOM 361 O ILE A 24 1.909 -9.755 -8.289 1.00 0.00 O ATOM 362 CB ILE A 24 -1.341 -9.488 -8.118 1.00 0.00 C ATOM 363 CG1 ILE A 24 -2.717 -9.613 -8.775 1.00 0.00 C ATOM 364 CG2 ILE A 24 -1.326 -8.431 -7.012 1.00 0.00 C ATOM 365 CD1 ILE A 24 -3.748 -10.160 -7.786 1.00 0.00 C ATOM 0 H ILE A 24 -0.070 -11.243 -9.608 1.00 0.00 H new ATOM 0 HA ILE A 24 -0.597 -8.323 -9.706 1.00 0.00 H new ATOM 0 HB ILE A 24 -1.121 -10.447 -7.648 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -3.040 -8.638 -9.140 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -2.652 -10.272 -9.641 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -2.105 -8.656 -6.283 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -0.354 -8.435 -6.518 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -1.508 -7.448 -7.446 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -4.718 -10.239 -8.278 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -3.434 -11.145 -7.441 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -3.828 -9.486 -6.933 1.00 0.00 H new ATOM 377 N LYS A 25 1.324 -7.572 -8.361 1.00 0.00 N ATOM 378 CA LYS A 25 2.576 -7.103 -7.792 1.00 0.00 C ATOM 379 C LYS A 25 2.398 -6.882 -6.289 1.00 0.00 C ATOM 380 O LYS A 25 2.667 -7.778 -5.490 1.00 0.00 O ATOM 381 CB LYS A 25 3.072 -5.865 -8.542 1.00 0.00 C ATOM 382 CG LYS A 25 4.161 -5.141 -7.745 1.00 0.00 C ATOM 383 CD LYS A 25 5.250 -6.117 -7.294 1.00 0.00 C ATOM 384 CE LYS A 25 6.329 -6.267 -8.368 1.00 0.00 C ATOM 385 NZ LYS A 25 7.360 -7.238 -7.935 1.00 0.00 N ATOM 0 H LYS A 25 0.655 -6.835 -8.586 1.00 0.00 H new ATOM 0 HA LYS A 25 3.356 -7.855 -7.912 1.00 0.00 H new ATOM 0 HB2 LYS A 25 3.463 -6.158 -9.516 1.00 0.00 H new ATOM 0 HB3 LYS A 25 2.238 -5.187 -8.724 1.00 0.00 H new ATOM 0 HG2 LYS A 25 4.603 -4.355 -8.357 1.00 0.00 H new ATOM 0 HG3 LYS A 25 3.719 -4.657 -6.875 1.00 0.00 H new ATOM 0 HD2 LYS A 25 5.701 -5.762 -6.367 1.00 0.00 H new ATOM 0 HD3 LYS A 25 4.806 -7.089 -7.080 1.00 0.00 H new ATOM 0 HE2 LYS A 25 5.877 -6.600 -9.302 1.00 0.00 H new ATOM 0 HE3 LYS A 25 6.792 -5.300 -8.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 7.776 -7.698 -8.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 8.105 -6.741 -7.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.924 -7.958 -7.324 1.00 0.00 H new ATOM 399 N THR A 26 1.945 -5.683 -5.949 1.00 0.00 N ATOM 400 CA THR A 26 1.729 -5.333 -4.556 1.00 0.00 C ATOM 401 C THR A 26 0.311 -4.793 -4.356 1.00 0.00 C ATOM 402 O THR A 26 -0.483 -4.761 -5.295 1.00 0.00 O ATOM 403 CB THR A 26 2.820 -4.344 -4.141 1.00 0.00 C ATOM 404 OG1 THR A 26 2.635 -4.192 -2.737 1.00 0.00 O ATOM 405 CG2 THR A 26 2.582 -2.941 -4.703 1.00 0.00 C ATOM 0 H THR A 26 1.722 -4.943 -6.614 1.00 0.00 H new ATOM 0 HA THR A 26 1.804 -6.209 -3.912 1.00 0.00 H new ATOM 0 HB THR A 26 3.790 -4.710 -4.478 1.00 0.00 H new ATOM 0 HG1 THR A 26 3.192 -3.454 -2.412 1.00 0.00 H new ATOM 0 HG21 THR A 26 3.384 -2.278 -4.379 1.00 0.00 H new ATOM 0 HG22 THR A 26 2.564 -2.984 -5.792 1.00 0.00 H new ATOM 0 HG23 THR A 26 1.628 -2.560 -4.339 1.00 0.00 H new ATOM 413 N TYR A 27 0.036 -4.382 -3.127 1.00 0.00 N ATOM 414 CA TYR A 27 -1.271 -3.844 -2.792 1.00 0.00 C ATOM 415 C TYR A 27 -1.154 -2.711 -1.771 1.00 0.00 C ATOM 416 O TYR A 27 -0.140 -2.593 -1.084 1.00 0.00 O ATOM 417 CB TYR A 27 -2.054 -5.000 -2.165 1.00 0.00 C ATOM 418 CG TYR A 27 -1.454 -5.523 -0.859 1.00 0.00 C ATOM 419 CD1 TYR A 27 -0.251 -6.201 -0.875 1.00 0.00 C ATOM 420 CD2 TYR A 27 -2.114 -5.316 0.335 1.00 0.00 C ATOM 421 CE1 TYR A 27 0.313 -6.693 0.354 1.00 0.00 C ATOM 422 CE2 TYR A 27 -1.548 -5.809 1.564 1.00 0.00 C ATOM 423 CZ TYR A 27 -0.363 -6.472 1.513 1.00 0.00 C ATOM 424 OH TYR A 27 0.172 -6.937 2.675 1.00 0.00 O ATOM 0 H TYR A 27 0.697 -4.411 -2.351 1.00 0.00 H new ATOM 0 HA TYR A 27 -1.758 -3.440 -3.680 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -3.077 -4.673 -1.977 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -2.108 -5.819 -2.882 1.00 0.00 H new ATOM 0 HD1 TYR A 27 0.266 -6.362 -1.809 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -3.054 -4.785 0.348 1.00 0.00 H new ATOM 0 HE1 TYR A 27 1.252 -7.226 0.356 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -2.054 -5.655 2.506 1.00 0.00 H new ATOM 0 HH TYR A 27 -0.418 -6.706 3.422 1.00 0.00 H new ATOM 434 N THR A 28 -2.204 -1.906 -1.703 1.00 0.00 N ATOM 435 CA THR A 28 -2.230 -0.787 -0.778 1.00 0.00 C ATOM 436 C THR A 28 -3.634 -0.613 -0.191 1.00 0.00 C ATOM 437 O THR A 28 -4.610 -0.504 -0.932 1.00 0.00 O ATOM 438 CB THR A 28 -1.724 0.452 -1.518 1.00 0.00 C ATOM 439 OG1 THR A 28 -0.399 0.633 -1.027 1.00 0.00 O ATOM 440 CG2 THR A 28 -2.456 1.727 -1.097 1.00 0.00 C ATOM 0 H THR A 28 -3.043 -2.007 -2.274 1.00 0.00 H new ATOM 0 HA THR A 28 -1.574 -0.964 0.074 1.00 0.00 H new ATOM 0 HB THR A 28 -1.841 0.306 -2.592 1.00 0.00 H new ATOM 0 HG1 THR A 28 0.005 1.416 -1.457 1.00 0.00 H new ATOM 0 HG21 THR A 28 -2.058 2.576 -1.653 1.00 0.00 H new ATOM 0 HG22 THR A 28 -3.520 1.622 -1.308 1.00 0.00 H new ATOM 0 HG23 THR A 28 -2.313 1.893 -0.029 1.00 0.00 H new ATOM 448 N ILE A 29 -3.689 -0.593 1.131 1.00 0.00 N ATOM 449 CA ILE A 29 -4.955 -0.434 1.825 1.00 0.00 C ATOM 450 C ILE A 29 -5.006 0.951 2.476 1.00 0.00 C ATOM 451 O ILE A 29 -4.022 1.402 3.060 1.00 0.00 O ATOM 452 CB ILE A 29 -5.176 -1.584 2.809 1.00 0.00 C ATOM 453 CG1 ILE A 29 -5.041 -2.938 2.109 1.00 0.00 C ATOM 454 CG2 ILE A 29 -6.519 -1.441 3.529 1.00 0.00 C ATOM 455 CD1 ILE A 29 -5.378 -4.085 3.065 1.00 0.00 C ATOM 0 H ILE A 29 -2.877 -0.684 1.741 1.00 0.00 H new ATOM 0 HA ILE A 29 -5.784 -0.486 1.119 1.00 0.00 H new ATOM 0 HB ILE A 29 -4.397 -1.536 3.570 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -5.705 -2.973 1.245 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -4.024 -3.058 1.735 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -6.650 -2.272 4.222 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -6.538 -0.501 4.081 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -7.327 -1.448 2.797 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -5.274 -5.036 2.543 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -4.697 -4.062 3.916 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -6.403 -3.975 3.418 1.00 0.00 H new ATOM 467 N THR A 30 -6.162 1.585 2.352 1.00 0.00 N ATOM 468 CA THR A 30 -6.354 2.909 2.921 1.00 0.00 C ATOM 469 C THR A 30 -7.294 2.840 4.126 1.00 0.00 C ATOM 470 O THR A 30 -7.989 1.844 4.320 1.00 0.00 O ATOM 471 CB THR A 30 -6.857 3.832 1.809 1.00 0.00 C ATOM 472 OG1 THR A 30 -8.033 3.187 1.327 1.00 0.00 O ATOM 473 CG2 THR A 30 -5.922 3.856 0.599 1.00 0.00 C ATOM 0 H THR A 30 -6.975 1.207 1.866 1.00 0.00 H new ATOM 0 HA THR A 30 -5.418 3.316 3.302 1.00 0.00 H new ATOM 0 HB THR A 30 -6.969 4.843 2.200 1.00 0.00 H new ATOM 0 HG1 THR A 30 -7.925 2.977 0.376 1.00 0.00 H new ATOM 0 HG21 THR A 30 -6.326 4.526 -0.160 1.00 0.00 H new ATOM 0 HG22 THR A 30 -4.937 4.208 0.907 1.00 0.00 H new ATOM 0 HG23 THR A 30 -5.835 2.851 0.186 1.00 0.00 H new ATOM 481 N GLU A 31 -7.284 3.912 4.905 1.00 0.00 N ATOM 482 CA GLU A 31 -8.126 3.986 6.086 1.00 0.00 C ATOM 483 C GLU A 31 -9.121 5.142 5.957 1.00 0.00 C ATOM 484 O GLU A 31 -10.133 5.175 6.654 1.00 0.00 O ATOM 485 CB GLU A 31 -7.283 4.129 7.354 1.00 0.00 C ATOM 486 CG GLU A 31 -7.415 2.891 8.244 1.00 0.00 C ATOM 487 CD GLU A 31 -8.474 3.106 9.327 1.00 0.00 C ATOM 488 OE1 GLU A 31 -9.655 2.826 9.029 1.00 0.00 O ATOM 489 OE2 GLU A 31 -8.078 3.545 10.429 1.00 0.00 O ATOM 0 H GLU A 31 -6.706 4.736 4.741 1.00 0.00 H new ATOM 0 HA GLU A 31 -8.687 3.055 6.166 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -6.237 4.278 7.085 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -7.599 5.014 7.907 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -7.682 2.027 7.635 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -6.454 2.668 8.708 1.00 0.00 H new ATOM 496 N GLY A 32 -8.798 6.062 5.059 1.00 0.00 N ATOM 497 CA GLY A 32 -9.649 7.216 4.830 1.00 0.00 C ATOM 498 C GLY A 32 -10.962 6.804 4.161 1.00 0.00 C ATOM 499 O GLY A 32 -11.235 5.615 3.999 1.00 0.00 O ATOM 0 H GLY A 32 -7.958 6.031 4.481 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -9.859 7.711 5.778 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -9.127 7.938 4.202 1.00 0.00 H new ATOM 503 N SER A 33 -11.741 7.809 3.788 1.00 0.00 N ATOM 504 CA SER A 33 -13.019 7.566 3.140 1.00 0.00 C ATOM 505 C SER A 33 -12.893 6.400 2.157 1.00 0.00 C ATOM 506 O SER A 33 -13.862 5.683 1.912 1.00 0.00 O ATOM 507 CB SER A 33 -13.516 8.819 2.418 1.00 0.00 C ATOM 508 OG SER A 33 -12.677 9.172 1.321 1.00 0.00 O ATOM 0 H SER A 33 -11.512 8.794 3.922 1.00 0.00 H new ATOM 0 HA SER A 33 -13.749 7.308 3.907 1.00 0.00 H new ATOM 0 HB2 SER A 33 -14.531 8.651 2.059 1.00 0.00 H new ATOM 0 HB3 SER A 33 -13.560 9.650 3.122 1.00 0.00 H new ATOM 0 HG SER A 33 -13.029 9.976 0.885 1.00 0.00 H new ATOM 514 N LEU A 34 -11.691 6.248 1.619 1.00 0.00 N ATOM 515 CA LEU A 34 -11.426 5.182 0.668 1.00 0.00 C ATOM 516 C LEU A 34 -11.627 3.831 1.355 1.00 0.00 C ATOM 517 O LEU A 34 -12.417 3.007 0.897 1.00 0.00 O ATOM 518 CB LEU A 34 -10.041 5.355 0.042 1.00 0.00 C ATOM 519 CG LEU A 34 -10.014 5.610 -1.466 1.00 0.00 C ATOM 520 CD1 LEU A 34 -8.595 5.924 -1.944 1.00 0.00 C ATOM 521 CD2 LEU A 34 -10.630 4.438 -2.232 1.00 0.00 C ATOM 0 H LEU A 34 -10.890 6.846 1.824 1.00 0.00 H new ATOM 0 HA LEU A 34 -12.132 5.226 -0.161 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -9.540 6.185 0.540 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -9.456 4.459 0.250 1.00 0.00 H new ATOM 0 HG LEU A 34 -10.626 6.488 -1.674 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -8.604 6.101 -3.019 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -8.227 6.814 -1.433 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -7.941 5.081 -1.721 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -10.598 4.645 -3.302 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -10.066 3.529 -2.022 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -11.665 4.303 -1.919 1.00 0.00 H new ATOM 533 N ARG A 35 -10.897 3.642 2.445 1.00 0.00 N ATOM 534 CA ARG A 35 -10.984 2.405 3.201 1.00 0.00 C ATOM 535 C ARG A 35 -11.185 1.218 2.255 1.00 0.00 C ATOM 536 O ARG A 35 -12.038 0.366 2.494 1.00 0.00 O ATOM 537 CB ARG A 35 -12.141 2.450 4.201 1.00 0.00 C ATOM 538 CG ARG A 35 -11.872 1.528 5.393 1.00 0.00 C ATOM 539 CD ARG A 35 -12.150 2.245 6.715 1.00 0.00 C ATOM 540 NE ARG A 35 -13.307 1.620 7.395 1.00 0.00 N ATOM 541 CZ ARG A 35 -13.223 0.531 8.171 1.00 0.00 C ATOM 542 NH1 ARG A 35 -12.037 -0.061 8.370 1.00 0.00 N ATOM 543 NH2 ARG A 35 -14.325 0.033 8.749 1.00 0.00 N ATOM 0 H ARG A 35 -10.242 4.327 2.823 1.00 0.00 H new ATOM 0 HA ARG A 35 -10.049 2.285 3.749 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -12.283 3.472 4.552 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -13.065 2.151 3.707 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -12.499 0.639 5.318 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -10.836 1.190 5.369 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -11.270 2.196 7.357 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -12.352 3.300 6.531 1.00 0.00 H new ATOM 0 HE ARG A 35 -14.225 2.045 7.265 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -11.198 0.318 7.931 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -11.974 -0.890 8.961 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -15.228 0.483 8.598 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -14.261 -0.796 9.340 1.00 0.00 H new ATOM 557 N ALA A 36 -10.383 1.203 1.200 1.00 0.00 N ATOM 558 CA ALA A 36 -10.462 0.135 0.216 1.00 0.00 C ATOM 559 C ALA A 36 -9.058 -0.410 -0.051 1.00 0.00 C ATOM 560 O ALA A 36 -8.065 0.275 0.193 1.00 0.00 O ATOM 561 CB ALA A 36 -11.136 0.660 -1.054 1.00 0.00 C ATOM 0 H ALA A 36 -9.676 1.912 1.005 1.00 0.00 H new ATOM 0 HA ALA A 36 -11.070 -0.689 0.590 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -11.195 -0.140 -1.792 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -12.141 1.009 -0.815 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -10.552 1.486 -1.461 1.00 0.00 H new ATOM 567 N VAL A 37 -9.019 -1.637 -0.549 1.00 0.00 N ATOM 568 CA VAL A 37 -7.753 -2.281 -0.853 1.00 0.00 C ATOM 569 C VAL A 37 -7.417 -2.066 -2.330 1.00 0.00 C ATOM 570 O VAL A 37 -8.266 -2.264 -3.199 1.00 0.00 O ATOM 571 CB VAL A 37 -7.812 -3.760 -0.462 1.00 0.00 C ATOM 572 CG1 VAL A 37 -8.066 -3.921 1.037 1.00 0.00 C ATOM 573 CG2 VAL A 37 -8.870 -4.501 -1.282 1.00 0.00 C ATOM 0 H VAL A 37 -9.844 -2.202 -0.750 1.00 0.00 H new ATOM 0 HA VAL A 37 -6.948 -1.835 -0.269 1.00 0.00 H new ATOM 0 HB VAL A 37 -6.843 -4.205 -0.686 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -8.103 -4.981 1.288 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -7.261 -3.444 1.596 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -9.015 -3.453 1.298 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -8.892 -5.550 -0.985 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -9.848 -4.053 -1.104 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -8.625 -4.429 -2.342 1.00 0.00 H new ATOM 583 N ILE A 38 -6.177 -1.664 -2.570 1.00 0.00 N ATOM 584 CA ILE A 38 -5.719 -1.420 -3.927 1.00 0.00 C ATOM 585 C ILE A 38 -4.766 -2.541 -4.348 1.00 0.00 C ATOM 586 O ILE A 38 -3.775 -2.805 -3.669 1.00 0.00 O ATOM 587 CB ILE A 38 -5.112 -0.021 -4.043 1.00 0.00 C ATOM 588 CG1 ILE A 38 -6.154 1.057 -3.734 1.00 0.00 C ATOM 589 CG2 ILE A 38 -4.466 0.184 -5.415 1.00 0.00 C ATOM 590 CD1 ILE A 38 -7.123 1.235 -4.905 1.00 0.00 C ATOM 0 H ILE A 38 -5.476 -1.501 -1.847 1.00 0.00 H new ATOM 0 HA ILE A 38 -6.559 -1.437 -4.622 1.00 0.00 H new ATOM 0 HB ILE A 38 -4.322 0.071 -3.297 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -6.709 0.785 -2.836 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -5.653 2.002 -3.525 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -4.042 1.187 -5.471 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -3.676 -0.553 -5.559 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -5.220 0.064 -6.193 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -7.853 2.006 -4.659 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -6.568 1.531 -5.795 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -7.640 0.294 -5.096 1.00 0.00 H new ATOM 602 N PHE A 39 -5.100 -3.170 -5.465 1.00 0.00 N ATOM 603 CA PHE A 39 -4.287 -4.255 -5.984 1.00 0.00 C ATOM 604 C PHE A 39 -3.501 -3.809 -7.220 1.00 0.00 C ATOM 605 O PHE A 39 -4.090 -3.453 -8.239 1.00 0.00 O ATOM 606 CB PHE A 39 -5.243 -5.381 -6.382 1.00 0.00 C ATOM 607 CG PHE A 39 -5.336 -6.510 -5.354 1.00 0.00 C ATOM 608 CD1 PHE A 39 -5.353 -6.221 -4.025 1.00 0.00 C ATOM 609 CD2 PHE A 39 -5.402 -7.803 -5.769 1.00 0.00 C ATOM 610 CE1 PHE A 39 -5.440 -7.268 -3.070 1.00 0.00 C ATOM 611 CE2 PHE A 39 -5.490 -8.852 -4.814 1.00 0.00 C ATOM 612 CZ PHE A 39 -5.506 -8.561 -3.486 1.00 0.00 C ATOM 0 H PHE A 39 -5.923 -2.948 -6.025 1.00 0.00 H new ATOM 0 HA PHE A 39 -3.571 -4.577 -5.228 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -6.237 -4.962 -6.537 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -4.920 -5.798 -7.336 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -5.300 -5.194 -3.696 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -5.388 -8.033 -6.824 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -5.454 -7.038 -2.015 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -5.544 -9.879 -5.143 1.00 0.00 H new ATOM 0 HZ PHE A 39 -5.571 -9.358 -2.760 1.00 0.00 H new ATOM 622 N ILE A 40 -2.183 -3.844 -7.088 1.00 0.00 N ATOM 623 CA ILE A 40 -1.311 -3.448 -8.181 1.00 0.00 C ATOM 624 C ILE A 40 -0.879 -4.693 -8.959 1.00 0.00 C ATOM 625 O ILE A 40 -0.637 -5.745 -8.369 1.00 0.00 O ATOM 626 CB ILE A 40 -0.141 -2.613 -7.657 1.00 0.00 C ATOM 627 CG1 ILE A 40 -0.588 -1.699 -6.514 1.00 0.00 C ATOM 628 CG2 ILE A 40 0.523 -1.829 -8.790 1.00 0.00 C ATOM 629 CD1 ILE A 40 0.474 -0.641 -6.211 1.00 0.00 C ATOM 0 H ILE A 40 -1.698 -4.140 -6.241 1.00 0.00 H new ATOM 0 HA ILE A 40 -1.844 -2.804 -8.880 1.00 0.00 H new ATOM 0 HB ILE A 40 0.609 -3.292 -7.252 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.526 -1.212 -6.779 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -0.779 -2.294 -5.621 1.00 0.00 H new ATOM 0 HG21 ILE A 40 1.351 -1.244 -8.391 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.898 -2.523 -9.542 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -0.207 -1.160 -9.246 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.131 -0.005 -5.395 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.404 -1.131 -5.923 1.00 0.00 H new ATOM 0 HD13 ILE A 40 0.645 -0.032 -7.099 1.00 0.00 H new ATOM 641 N THR A 41 -0.794 -4.531 -10.271 1.00 0.00 N ATOM 642 CA THR A 41 -0.395 -5.628 -11.136 1.00 0.00 C ATOM 643 C THR A 41 1.085 -5.504 -11.507 1.00 0.00 C ATOM 644 O THR A 41 1.716 -4.487 -11.223 1.00 0.00 O ATOM 645 CB THR A 41 -1.326 -5.637 -12.350 1.00 0.00 C ATOM 646 OG1 THR A 41 -1.392 -4.269 -12.746 1.00 0.00 O ATOM 647 CG2 THR A 41 -2.769 -5.987 -11.979 1.00 0.00 C ATOM 0 H THR A 41 -0.995 -3.656 -10.756 1.00 0.00 H new ATOM 0 HA THR A 41 -0.492 -6.587 -10.627 1.00 0.00 H new ATOM 0 HB THR A 41 -0.957 -6.352 -13.085 1.00 0.00 H new ATOM 0 HG1 THR A 41 -2.049 -3.799 -12.191 1.00 0.00 H new ATOM 0 HG21 THR A 41 -3.388 -5.979 -12.876 1.00 0.00 H new ATOM 0 HG22 THR A 41 -2.798 -6.978 -11.527 1.00 0.00 H new ATOM 0 HG23 THR A 41 -3.150 -5.253 -11.269 1.00 0.00 H new ATOM 655 N LYS A 42 1.594 -6.553 -12.134 1.00 0.00 N ATOM 656 CA LYS A 42 2.987 -6.574 -12.547 1.00 0.00 C ATOM 657 C LYS A 42 3.223 -5.479 -13.588 1.00 0.00 C ATOM 658 O LYS A 42 4.258 -4.814 -13.571 1.00 0.00 O ATOM 659 CB LYS A 42 3.384 -7.973 -13.025 1.00 0.00 C ATOM 660 CG LYS A 42 3.259 -8.995 -11.893 1.00 0.00 C ATOM 661 CD LYS A 42 4.630 -9.330 -11.303 1.00 0.00 C ATOM 662 CE LYS A 42 4.656 -9.074 -9.795 1.00 0.00 C ATOM 663 NZ LYS A 42 5.950 -9.504 -9.218 1.00 0.00 N ATOM 0 H LYS A 42 1.067 -7.395 -12.366 1.00 0.00 H new ATOM 0 HA LYS A 42 3.638 -6.355 -11.701 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.749 -8.270 -13.860 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.409 -7.958 -13.394 1.00 0.00 H new ATOM 0 HG2 LYS A 42 2.610 -8.600 -11.112 1.00 0.00 H new ATOM 0 HG3 LYS A 42 2.789 -9.904 -12.269 1.00 0.00 H new ATOM 0 HD2 LYS A 42 4.870 -10.374 -11.502 1.00 0.00 H new ATOM 0 HD3 LYS A 42 5.397 -8.728 -11.791 1.00 0.00 H new ATOM 0 HE2 LYS A 42 4.497 -8.014 -9.597 1.00 0.00 H new ATOM 0 HE3 LYS A 42 3.840 -9.613 -9.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 5.957 -9.308 -8.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 6.078 -10.524 -9.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 6.725 -8.983 -9.676 1.00 0.00 H new ATOM 677 N ARG A 43 2.247 -5.326 -14.471 1.00 0.00 N ATOM 678 CA ARG A 43 2.336 -4.322 -15.518 1.00 0.00 C ATOM 679 C ARG A 43 2.496 -2.929 -14.906 1.00 0.00 C ATOM 680 O ARG A 43 2.993 -2.014 -15.560 1.00 0.00 O ATOM 681 CB ARG A 43 1.090 -4.342 -16.406 1.00 0.00 C ATOM 682 CG ARG A 43 1.404 -4.937 -17.780 1.00 0.00 C ATOM 683 CD ARG A 43 0.495 -6.129 -18.082 1.00 0.00 C ATOM 684 NE ARG A 43 1.290 -7.244 -18.643 1.00 0.00 N ATOM 685 CZ ARG A 43 0.784 -8.444 -18.957 1.00 0.00 C ATOM 686 NH1 ARG A 43 -0.519 -8.694 -18.766 1.00 0.00 N ATOM 687 NH2 ARG A 43 1.581 -9.397 -19.461 1.00 0.00 N ATOM 0 H ARG A 43 1.391 -5.880 -14.483 1.00 0.00 H new ATOM 0 HA ARG A 43 3.208 -4.556 -16.129 1.00 0.00 H new ATOM 0 HB2 ARG A 43 0.305 -4.925 -15.924 1.00 0.00 H new ATOM 0 HB3 ARG A 43 0.707 -3.328 -16.524 1.00 0.00 H new ATOM 0 HG2 ARG A 43 1.277 -4.174 -18.548 1.00 0.00 H new ATOM 0 HG3 ARG A 43 2.447 -5.253 -17.814 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -0.008 -6.453 -17.171 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -0.282 -5.835 -18.788 1.00 0.00 H new ATOM 0 HE ARG A 43 2.286 -7.089 -18.800 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -1.126 -7.970 -18.381 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -0.903 -9.608 -19.005 1.00 0.00 H new ATOM 0 HH21 ARG A 43 2.573 -9.208 -19.605 1.00 0.00 H new ATOM 0 HH22 ARG A 43 1.195 -10.311 -19.700 1.00 0.00 H new ATOM 701 N GLY A 44 2.065 -2.812 -13.658 1.00 0.00 N ATOM 702 CA GLY A 44 2.154 -1.547 -12.951 1.00 0.00 C ATOM 703 C GLY A 44 0.789 -0.859 -12.883 1.00 0.00 C ATOM 704 O GLY A 44 0.690 0.291 -12.458 1.00 0.00 O ATOM 0 H GLY A 44 1.653 -3.574 -13.119 1.00 0.00 H new ATOM 0 HA2 GLY A 44 2.531 -1.716 -11.942 1.00 0.00 H new ATOM 0 HA3 GLY A 44 2.869 -0.895 -13.453 1.00 0.00 H new ATOM 708 N LEU A 45 -0.229 -1.592 -13.309 1.00 0.00 N ATOM 709 CA LEU A 45 -1.584 -1.068 -13.301 1.00 0.00 C ATOM 710 C LEU A 45 -2.166 -1.190 -11.892 1.00 0.00 C ATOM 711 O LEU A 45 -2.166 -2.273 -11.309 1.00 0.00 O ATOM 712 CB LEU A 45 -2.429 -1.752 -14.378 1.00 0.00 C ATOM 713 CG LEU A 45 -2.782 -0.897 -15.596 1.00 0.00 C ATOM 714 CD1 LEU A 45 -2.771 -1.737 -16.876 1.00 0.00 C ATOM 715 CD2 LEU A 45 -4.118 -0.179 -15.394 1.00 0.00 C ATOM 0 H LEU A 45 -0.142 -2.545 -13.662 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.584 -0.008 -13.554 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.895 -2.637 -14.723 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.356 -2.097 -13.920 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.017 -0.128 -15.707 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.025 -1.106 -17.728 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -1.778 -2.163 -17.023 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -3.502 -2.541 -16.790 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -4.345 0.422 -16.275 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.908 -0.915 -15.244 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.054 0.469 -14.520 1.00 0.00 H new ATOM 727 N LYS A 46 -2.647 -0.065 -11.385 1.00 0.00 N ATOM 728 CA LYS A 46 -3.230 -0.032 -10.054 1.00 0.00 C ATOM 729 C LYS A 46 -4.739 -0.262 -10.158 1.00 0.00 C ATOM 730 O LYS A 46 -5.424 0.421 -10.917 1.00 0.00 O ATOM 731 CB LYS A 46 -2.854 1.265 -9.336 1.00 0.00 C ATOM 732 CG LYS A 46 -1.701 1.036 -8.356 1.00 0.00 C ATOM 733 CD LYS A 46 -0.488 1.891 -8.725 1.00 0.00 C ATOM 734 CE LYS A 46 0.259 1.296 -9.919 1.00 0.00 C ATOM 735 NZ LYS A 46 1.221 2.277 -10.470 1.00 0.00 N ATOM 0 H LYS A 46 -2.645 0.831 -11.872 1.00 0.00 H new ATOM 0 HA LYS A 46 -2.825 -0.837 -9.441 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.569 2.020 -10.068 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -3.720 1.652 -8.800 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -2.026 1.278 -7.344 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -1.422 -0.018 -8.358 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -0.812 2.904 -8.962 1.00 0.00 H new ATOM 0 HD3 LYS A 46 0.184 1.963 -7.870 1.00 0.00 H new ATOM 0 HE2 LYS A 46 0.787 0.393 -9.612 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -0.452 1.002 -10.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 1.453 2.022 -11.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 0.798 3.227 -10.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 2.089 2.272 -9.897 1.00 0.00 H new ATOM 749 N VAL A 47 -5.213 -1.228 -9.384 1.00 0.00 N ATOM 750 CA VAL A 47 -6.628 -1.556 -9.378 1.00 0.00 C ATOM 751 C VAL A 47 -7.184 -1.378 -7.965 1.00 0.00 C ATOM 752 O VAL A 47 -6.427 -1.175 -7.017 1.00 0.00 O ATOM 753 CB VAL A 47 -6.839 -2.967 -9.931 1.00 0.00 C ATOM 754 CG1 VAL A 47 -6.875 -3.998 -8.801 1.00 0.00 C ATOM 755 CG2 VAL A 47 -8.109 -3.039 -10.780 1.00 0.00 C ATOM 0 H VAL A 47 -4.641 -1.794 -8.757 1.00 0.00 H new ATOM 0 HA VAL A 47 -7.180 -0.879 -10.030 1.00 0.00 H new ATOM 0 HB VAL A 47 -5.992 -3.205 -10.575 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -7.026 -4.993 -9.221 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -5.931 -3.974 -8.256 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -7.693 -3.763 -8.120 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -8.235 -4.053 -11.161 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -8.971 -2.771 -10.169 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -8.027 -2.345 -11.616 1.00 0.00 H new ATOM 765 N CYS A 48 -8.503 -1.460 -7.868 1.00 0.00 N ATOM 766 CA CYS A 48 -9.169 -1.310 -6.584 1.00 0.00 C ATOM 767 C CYS A 48 -9.975 -2.581 -6.311 1.00 0.00 C ATOM 768 O CYS A 48 -10.432 -3.244 -7.242 1.00 0.00 O ATOM 769 CB CYS A 48 -10.047 -0.057 -6.546 1.00 0.00 C ATOM 770 SG CYS A 48 -9.301 1.427 -7.312 1.00 0.00 S ATOM 0 H CYS A 48 -9.128 -1.628 -8.656 1.00 0.00 H new ATOM 0 HA CYS A 48 -8.426 -1.177 -5.798 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -10.988 -0.275 -7.051 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -10.287 0.170 -5.507 1.00 0.00 H new ATOM 775 N ALA A 49 -10.126 -2.883 -5.030 1.00 0.00 N ATOM 776 CA ALA A 49 -10.869 -4.063 -4.622 1.00 0.00 C ATOM 777 C ALA A 49 -11.447 -3.838 -3.223 1.00 0.00 C ATOM 778 O ALA A 49 -10.834 -3.166 -2.396 1.00 0.00 O ATOM 779 CB ALA A 49 -9.957 -5.290 -4.686 1.00 0.00 C ATOM 0 H ALA A 49 -9.746 -2.331 -4.261 1.00 0.00 H new ATOM 0 HA ALA A 49 -11.704 -4.243 -5.299 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -10.515 -6.175 -4.380 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -9.597 -5.423 -5.706 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -9.108 -5.147 -4.018 1.00 0.00 H new ATOM 785 N ASP A 50 -12.619 -4.415 -3.002 1.00 0.00 N ATOM 786 CA ASP A 50 -13.286 -4.286 -1.718 1.00 0.00 C ATOM 787 C ASP A 50 -12.710 -5.316 -0.743 1.00 0.00 C ATOM 788 O ASP A 50 -12.490 -6.468 -1.111 1.00 0.00 O ATOM 789 CB ASP A 50 -14.788 -4.548 -1.848 1.00 0.00 C ATOM 790 CG ASP A 50 -15.659 -3.293 -1.920 1.00 0.00 C ATOM 791 OD1 ASP A 50 -15.210 -2.258 -1.380 1.00 0.00 O ATOM 792 OD2 ASP A 50 -16.755 -3.395 -2.513 1.00 0.00 O ATOM 0 H ASP A 50 -13.124 -4.973 -3.691 1.00 0.00 H new ATOM 0 HA ASP A 50 -13.127 -3.270 -1.357 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -14.961 -5.144 -2.744 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -15.112 -5.148 -0.998 1.00 0.00 H new ATOM 797 N PRO A 51 -12.476 -4.849 0.514 1.00 0.00 N ATOM 798 CA PRO A 51 -11.929 -5.716 1.544 1.00 0.00 C ATOM 799 C PRO A 51 -12.992 -6.687 2.065 1.00 0.00 C ATOM 800 O PRO A 51 -12.730 -7.467 2.979 1.00 0.00 O ATOM 801 CB PRO A 51 -11.409 -4.773 2.615 1.00 0.00 C ATOM 802 CG PRO A 51 -12.095 -3.440 2.367 1.00 0.00 C ATOM 803 CD PRO A 51 -12.724 -3.490 0.984 1.00 0.00 C ATOM 0 HA PRO A 51 -11.129 -6.357 1.174 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -11.638 -5.150 3.612 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -10.325 -4.672 2.553 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -12.855 -3.255 3.126 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -11.376 -2.623 2.430 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -13.792 -3.274 1.026 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -12.276 -2.753 0.318 1.00 0.00 H new ATOM 811 N GLN A 52 -14.168 -6.606 1.460 1.00 0.00 N ATOM 812 CA GLN A 52 -15.271 -7.467 1.851 1.00 0.00 C ATOM 813 C GLN A 52 -15.127 -8.843 1.200 1.00 0.00 C ATOM 814 O GLN A 52 -15.811 -9.791 1.584 1.00 0.00 O ATOM 815 CB GLN A 52 -16.616 -6.830 1.495 1.00 0.00 C ATOM 816 CG GLN A 52 -17.705 -7.262 2.480 1.00 0.00 C ATOM 817 CD GLN A 52 -18.112 -6.101 3.390 1.00 0.00 C ATOM 818 OE1 GLN A 52 -18.140 -4.948 2.993 1.00 0.00 O ATOM 819 NE2 GLN A 52 -18.426 -6.470 4.629 1.00 0.00 N ATOM 0 H GLN A 52 -14.381 -5.957 0.702 1.00 0.00 H new ATOM 0 HA GLN A 52 -15.241 -7.594 2.933 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -16.522 -5.744 1.504 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -16.902 -7.116 0.483 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -18.575 -7.621 1.931 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -17.344 -8.094 3.085 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -18.381 -7.454 4.895 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -18.712 -5.769 5.313 1.00 0.00 H new ATOM 828 N ALA A 53 -14.232 -8.911 0.225 1.00 0.00 N ATOM 829 CA ALA A 53 -13.988 -10.156 -0.483 1.00 0.00 C ATOM 830 C ALA A 53 -12.935 -10.970 0.272 1.00 0.00 C ATOM 831 O ALA A 53 -11.871 -10.452 0.608 1.00 0.00 O ATOM 832 CB ALA A 53 -13.570 -9.851 -1.923 1.00 0.00 C ATOM 0 H ALA A 53 -13.667 -8.123 -0.091 1.00 0.00 H new ATOM 0 HA ALA A 53 -14.897 -10.756 -0.528 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -13.387 -10.785 -2.454 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -14.365 -9.299 -2.424 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -12.660 -9.252 -1.918 1.00 0.00 H new ATOM 838 N THR A 54 -13.267 -12.228 0.514 1.00 0.00 N ATOM 839 CA THR A 54 -12.363 -13.119 1.222 1.00 0.00 C ATOM 840 C THR A 54 -11.155 -13.458 0.346 1.00 0.00 C ATOM 841 O THR A 54 -10.029 -13.528 0.835 1.00 0.00 O ATOM 842 CB THR A 54 -13.158 -14.349 1.663 1.00 0.00 C ATOM 843 OG1 THR A 54 -13.856 -13.912 2.826 1.00 0.00 O ATOM 844 CG2 THR A 54 -12.259 -15.478 2.169 1.00 0.00 C ATOM 0 H THR A 54 -14.150 -12.653 0.232 1.00 0.00 H new ATOM 0 HA THR A 54 -11.956 -12.642 2.113 1.00 0.00 H new ATOM 0 HB THR A 54 -13.758 -14.711 0.828 1.00 0.00 H new ATOM 0 HG1 THR A 54 -14.399 -14.648 3.177 1.00 0.00 H new ATOM 0 HG21 THR A 54 -12.874 -16.326 2.469 1.00 0.00 H new ATOM 0 HG22 THR A 54 -11.579 -15.786 1.374 1.00 0.00 H new ATOM 0 HG23 THR A 54 -11.682 -15.128 3.025 1.00 0.00 H new ATOM 852 N TRP A 55 -11.430 -13.660 -0.934 1.00 0.00 N ATOM 853 CA TRP A 55 -10.380 -13.991 -1.882 1.00 0.00 C ATOM 854 C TRP A 55 -9.366 -12.846 -1.883 1.00 0.00 C ATOM 855 O TRP A 55 -8.158 -13.081 -1.890 1.00 0.00 O ATOM 856 CB TRP A 55 -10.962 -14.275 -3.268 1.00 0.00 C ATOM 857 CG TRP A 55 -11.114 -13.031 -4.146 1.00 0.00 C ATOM 858 CD1 TRP A 55 -12.165 -12.201 -4.226 1.00 0.00 C ATOM 859 CD2 TRP A 55 -10.138 -12.505 -5.069 1.00 0.00 C ATOM 860 NE1 TRP A 55 -11.937 -11.184 -5.131 1.00 0.00 N ATOM 861 CE2 TRP A 55 -10.666 -11.375 -5.659 1.00 0.00 C ATOM 862 CE3 TRP A 55 -8.852 -12.970 -5.395 1.00 0.00 C ATOM 863 CZ2 TRP A 55 -9.976 -10.614 -6.612 1.00 0.00 C ATOM 864 CZ3 TRP A 55 -8.175 -12.198 -6.348 1.00 0.00 C ATOM 865 CH2 TRP A 55 -8.693 -11.058 -6.952 1.00 0.00 C ATOM 0 H TRP A 55 -12.365 -13.601 -1.337 1.00 0.00 H new ATOM 0 HA TRP A 55 -9.870 -14.908 -1.587 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -10.321 -14.992 -3.780 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -11.938 -14.746 -3.151 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -13.074 -12.314 -3.655 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -12.583 -10.431 -5.368 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -8.420 -13.852 -4.946 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -10.411 -9.733 -7.060 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -7.181 -12.510 -6.633 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -8.108 -10.517 -7.681 1.00 0.00 H new ATOM 876 N VAL A 56 -9.894 -11.630 -1.875 1.00 0.00 N ATOM 877 CA VAL A 56 -9.049 -10.448 -1.874 1.00 0.00 C ATOM 878 C VAL A 56 -8.228 -10.414 -0.584 1.00 0.00 C ATOM 879 O VAL A 56 -7.016 -10.199 -0.620 1.00 0.00 O ATOM 880 CB VAL A 56 -9.904 -9.194 -2.072 1.00 0.00 C ATOM 881 CG1 VAL A 56 -9.138 -7.937 -1.656 1.00 0.00 C ATOM 882 CG2 VAL A 56 -10.392 -9.087 -3.518 1.00 0.00 C ATOM 0 H VAL A 56 -10.896 -11.438 -1.869 1.00 0.00 H new ATOM 0 HA VAL A 56 -8.345 -10.481 -2.706 1.00 0.00 H new ATOM 0 HB VAL A 56 -10.780 -9.280 -1.429 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -9.768 -7.060 -1.807 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -8.863 -8.010 -0.604 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -8.236 -7.844 -2.261 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -10.997 -8.188 -3.632 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -9.534 -9.035 -4.189 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -10.993 -9.962 -3.765 1.00 0.00 H new ATOM 892 N ARG A 57 -8.919 -10.630 0.525 1.00 0.00 N ATOM 893 CA ARG A 57 -8.268 -10.627 1.825 1.00 0.00 C ATOM 894 C ARG A 57 -7.246 -11.763 1.910 1.00 0.00 C ATOM 895 O ARG A 57 -6.203 -11.618 2.544 1.00 0.00 O ATOM 896 CB ARG A 57 -9.290 -10.783 2.953 1.00 0.00 C ATOM 897 CG ARG A 57 -9.757 -9.418 3.462 1.00 0.00 C ATOM 898 CD ARG A 57 -10.985 -9.559 4.363 1.00 0.00 C ATOM 899 NE ARG A 57 -12.076 -10.241 3.630 1.00 0.00 N ATOM 900 CZ ARG A 57 -13.079 -10.903 4.221 1.00 0.00 C ATOM 901 NH1 ARG A 57 -13.137 -10.978 5.558 1.00 0.00 N ATOM 902 NH2 ARG A 57 -14.025 -11.491 3.476 1.00 0.00 N ATOM 0 H ARG A 57 -9.923 -10.808 0.551 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.761 -9.669 1.940 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -10.147 -11.355 2.596 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.848 -11.349 3.773 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -8.950 -8.936 4.014 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -9.994 -8.772 2.616 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -10.727 -10.126 5.257 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -11.318 -8.575 4.694 1.00 0.00 H new ATOM 0 HE ARG A 57 -12.063 -10.204 2.611 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -12.417 -10.531 6.126 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -13.901 -11.482 6.008 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -13.981 -11.434 2.459 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -14.789 -11.995 3.926 1.00 0.00 H new ATOM 916 N ASP A 58 -7.583 -12.867 1.261 1.00 0.00 N ATOM 917 CA ASP A 58 -6.709 -14.028 1.256 1.00 0.00 C ATOM 918 C ASP A 58 -5.461 -13.717 0.426 1.00 0.00 C ATOM 919 O ASP A 58 -4.345 -14.036 0.833 1.00 0.00 O ATOM 920 CB ASP A 58 -7.404 -15.239 0.629 1.00 0.00 C ATOM 921 CG ASP A 58 -7.104 -16.579 1.305 1.00 0.00 C ATOM 922 OD1 ASP A 58 -7.608 -16.771 2.432 1.00 0.00 O ATOM 923 OD2 ASP A 58 -6.377 -17.380 0.679 1.00 0.00 O ATOM 0 H ASP A 58 -8.449 -12.983 0.735 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.447 -14.258 2.289 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.481 -15.072 0.650 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -7.112 -15.304 -0.419 1.00 0.00 H new ATOM 928 N VAL A 59 -5.692 -13.099 -0.722 1.00 0.00 N ATOM 929 CA VAL A 59 -4.601 -12.741 -1.613 1.00 0.00 C ATOM 930 C VAL A 59 -3.718 -11.692 -0.934 1.00 0.00 C ATOM 931 O VAL A 59 -2.498 -11.710 -1.088 1.00 0.00 O ATOM 932 CB VAL A 59 -5.156 -12.276 -2.960 1.00 0.00 C ATOM 933 CG1 VAL A 59 -4.079 -11.561 -3.779 1.00 0.00 C ATOM 934 CG2 VAL A 59 -5.753 -13.447 -3.742 1.00 0.00 C ATOM 0 H VAL A 59 -6.619 -12.837 -1.057 1.00 0.00 H new ATOM 0 HA VAL A 59 -3.975 -13.609 -1.819 1.00 0.00 H new ATOM 0 HB VAL A 59 -5.957 -11.563 -2.764 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -4.500 -11.241 -4.732 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -3.722 -10.690 -3.229 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -3.248 -12.242 -3.960 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -6.140 -13.088 -4.696 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -4.981 -14.195 -3.922 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -6.564 -13.893 -3.166 1.00 0.00 H new ATOM 944 N VAL A 60 -4.369 -10.803 -0.199 1.00 0.00 N ATOM 945 CA VAL A 60 -3.659 -9.747 0.503 1.00 0.00 C ATOM 946 C VAL A 60 -2.649 -10.374 1.466 1.00 0.00 C ATOM 947 O VAL A 60 -1.528 -9.884 1.600 1.00 0.00 O ATOM 948 CB VAL A 60 -4.656 -8.820 1.200 1.00 0.00 C ATOM 949 CG1 VAL A 60 -3.936 -7.848 2.138 1.00 0.00 C ATOM 950 CG2 VAL A 60 -5.511 -8.067 0.179 1.00 0.00 C ATOM 0 H VAL A 60 -5.381 -10.792 -0.074 1.00 0.00 H new ATOM 0 HA VAL A 60 -3.099 -9.129 -0.199 1.00 0.00 H new ATOM 0 HB VAL A 60 -5.322 -9.436 1.804 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.667 -7.200 2.621 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.392 -8.410 2.897 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.236 -7.241 1.565 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -6.211 -7.415 0.701 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -4.866 -7.467 -0.463 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.065 -8.782 -0.429 1.00 0.00 H new ATOM 960 N ARG A 61 -3.083 -11.444 2.115 1.00 0.00 N ATOM 961 CA ARG A 61 -2.230 -12.142 3.062 1.00 0.00 C ATOM 962 C ARG A 61 -0.959 -12.636 2.369 1.00 0.00 C ATOM 963 O ARG A 61 0.144 -12.446 2.879 1.00 0.00 O ATOM 964 CB ARG A 61 -2.959 -13.334 3.686 1.00 0.00 C ATOM 965 CG ARG A 61 -2.518 -13.549 5.135 1.00 0.00 C ATOM 966 CD ARG A 61 -1.378 -14.566 5.217 1.00 0.00 C ATOM 967 NE ARG A 61 -1.532 -15.402 6.429 1.00 0.00 N ATOM 968 CZ ARG A 61 -1.313 -14.964 7.676 1.00 0.00 C ATOM 969 NH1 ARG A 61 -0.931 -13.696 7.883 1.00 0.00 N ATOM 970 NH2 ARG A 61 -1.478 -15.792 8.716 1.00 0.00 N ATOM 0 H ARG A 61 -4.014 -11.845 2.004 1.00 0.00 H new ATOM 0 HA ARG A 61 -1.967 -11.438 3.851 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -4.035 -13.166 3.651 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -2.758 -14.233 3.104 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -2.196 -12.601 5.565 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -3.364 -13.897 5.728 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -1.377 -15.197 4.328 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -0.419 -14.049 5.241 1.00 0.00 H new ATOM 0 HE ARG A 61 -1.823 -16.372 6.307 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -0.807 -13.065 7.091 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -0.764 -13.362 8.832 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -1.770 -16.756 8.559 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -1.311 -15.458 9.665 1.00 0.00 H new ATOM 984 N SER A 62 -1.156 -13.260 1.217 1.00 0.00 N ATOM 985 CA SER A 62 -0.040 -13.783 0.449 1.00 0.00 C ATOM 986 C SER A 62 0.721 -12.634 -0.218 1.00 0.00 C ATOM 987 O SER A 62 1.950 -12.651 -0.279 1.00 0.00 O ATOM 988 CB SER A 62 -0.516 -14.785 -0.604 1.00 0.00 C ATOM 989 OG SER A 62 0.445 -15.811 -0.839 1.00 0.00 O ATOM 0 H SER A 62 -2.073 -13.415 0.797 1.00 0.00 H new ATOM 0 HA SER A 62 0.629 -14.306 1.132 1.00 0.00 H new ATOM 0 HB2 SER A 62 -1.454 -15.235 -0.278 1.00 0.00 H new ATOM 0 HB3 SER A 62 -0.721 -14.260 -1.537 1.00 0.00 H new ATOM 0 HG SER A 62 0.103 -16.431 -1.516 1.00 0.00 H new ATOM 995 N MET A 63 -0.042 -11.665 -0.702 1.00 0.00 N ATOM 996 CA MET A 63 0.544 -10.511 -1.361 1.00 0.00 C ATOM 997 C MET A 63 1.803 -10.041 -0.629 1.00 0.00 C ATOM 998 O MET A 63 2.798 -9.690 -1.261 1.00 0.00 O ATOM 999 CB MET A 63 -0.477 -9.372 -1.402 1.00 0.00 C ATOM 1000 CG MET A 63 -1.517 -9.608 -2.498 1.00 0.00 C ATOM 1001 SD MET A 63 -1.528 -8.232 -3.636 1.00 0.00 S ATOM 1002 CE MET A 63 0.154 -8.310 -4.232 1.00 0.00 C ATOM 0 H MET A 63 -1.061 -11.656 -0.651 1.00 0.00 H new ATOM 0 HA MET A 63 0.822 -10.799 -2.375 1.00 0.00 H new ATOM 0 HB2 MET A 63 -0.974 -9.289 -0.436 1.00 0.00 H new ATOM 0 HB3 MET A 63 0.035 -8.426 -1.579 1.00 0.00 H new ATOM 0 HG2 MET A 63 -1.291 -10.531 -3.032 1.00 0.00 H new ATOM 0 HG3 MET A 63 -2.505 -9.731 -2.053 1.00 0.00 H new ATOM 0 HE1 MET A 63 0.262 -7.662 -5.102 1.00 0.00 H new ATOM 0 HE2 MET A 63 0.834 -7.979 -3.447 1.00 0.00 H new ATOM 0 HE3 MET A 63 0.394 -9.336 -4.511 1.00 0.00 H new ATOM 1012 N ASP A 64 1.719 -10.051 0.693 1.00 0.00 N ATOM 1013 CA ASP A 64 2.839 -9.631 1.518 1.00 0.00 C ATOM 1014 C ASP A 64 4.060 -10.494 1.191 1.00 0.00 C ATOM 1015 O ASP A 64 5.160 -9.976 1.014 1.00 0.00 O ATOM 1016 CB ASP A 64 2.523 -9.802 3.005 1.00 0.00 C ATOM 1017 CG ASP A 64 3.286 -8.862 3.940 1.00 0.00 C ATOM 1018 OD1 ASP A 64 4.527 -8.996 3.991 1.00 0.00 O ATOM 1019 OD2 ASP A 64 2.610 -8.031 4.584 1.00 0.00 O ATOM 0 H ASP A 64 0.892 -10.344 1.214 1.00 0.00 H new ATOM 0 HA ASP A 64 3.035 -8.579 1.310 1.00 0.00 H new ATOM 0 HB2 ASP A 64 1.454 -9.649 3.154 1.00 0.00 H new ATOM 0 HB3 ASP A 64 2.741 -10.831 3.291 1.00 0.00 H new ATOM 1024 N ARG A 65 3.822 -11.796 1.123 1.00 0.00 N ATOM 1025 CA ARG A 65 4.888 -12.736 0.822 1.00 0.00 C ATOM 1026 C ARG A 65 5.304 -12.613 -0.646 1.00 0.00 C ATOM 1027 O ARG A 65 6.493 -12.589 -0.957 1.00 0.00 O ATOM 1028 CB ARG A 65 4.449 -14.175 1.102 1.00 0.00 C ATOM 1029 CG ARG A 65 4.222 -14.397 2.598 1.00 0.00 C ATOM 1030 CD ARG A 65 5.107 -15.529 3.125 1.00 0.00 C ATOM 1031 NE ARG A 65 4.902 -15.696 4.581 1.00 0.00 N ATOM 1032 CZ ARG A 65 5.487 -14.931 5.513 1.00 0.00 C ATOM 1033 NH1 ARG A 65 6.316 -13.943 5.148 1.00 0.00 N ATOM 1034 NH2 ARG A 65 5.244 -15.154 6.812 1.00 0.00 N ATOM 0 H ARG A 65 2.907 -12.222 1.271 1.00 0.00 H new ATOM 0 HA ARG A 65 5.735 -12.495 1.465 1.00 0.00 H new ATOM 0 HB2 ARG A 65 3.531 -14.392 0.555 1.00 0.00 H new ATOM 0 HB3 ARG A 65 5.208 -14.868 0.739 1.00 0.00 H new ATOM 0 HG2 ARG A 65 4.438 -13.478 3.143 1.00 0.00 H new ATOM 0 HG3 ARG A 65 3.174 -14.636 2.779 1.00 0.00 H new ATOM 0 HD2 ARG A 65 4.870 -16.458 2.607 1.00 0.00 H new ATOM 0 HD3 ARG A 65 6.155 -15.308 2.920 1.00 0.00 H new ATOM 0 HE ARG A 65 4.277 -16.439 4.894 1.00 0.00 H new ATOM 0 HH11 ARG A 65 6.502 -13.773 4.160 1.00 0.00 H new ATOM 0 HH12 ARG A 65 6.760 -13.362 5.858 1.00 0.00 H new ATOM 0 HH21 ARG A 65 4.614 -15.906 7.091 1.00 0.00 H new ATOM 0 HH22 ARG A 65 5.689 -14.572 7.521 1.00 0.00 H new ATOM 1048 N LYS A 66 4.301 -12.541 -1.509 1.00 0.00 N ATOM 1049 CA LYS A 66 4.548 -12.422 -2.935 1.00 0.00 C ATOM 1050 C LYS A 66 5.369 -11.159 -3.202 1.00 0.00 C ATOM 1051 O LYS A 66 6.226 -11.146 -4.085 1.00 0.00 O ATOM 1052 CB LYS A 66 3.232 -12.476 -3.713 1.00 0.00 C ATOM 1053 CG LYS A 66 3.300 -13.515 -4.834 1.00 0.00 C ATOM 1054 CD LYS A 66 3.630 -12.854 -6.174 1.00 0.00 C ATOM 1055 CE LYS A 66 5.129 -12.567 -6.288 1.00 0.00 C ATOM 1056 NZ LYS A 66 5.365 -11.120 -6.495 1.00 0.00 N ATOM 0 H LYS A 66 3.315 -12.563 -1.247 1.00 0.00 H new ATOM 0 HA LYS A 66 5.137 -13.267 -3.292 1.00 0.00 H new ATOM 0 HB2 LYS A 66 2.414 -12.720 -3.035 1.00 0.00 H new ATOM 0 HB3 LYS A 66 3.014 -11.495 -4.135 1.00 0.00 H new ATOM 0 HG2 LYS A 66 4.057 -14.262 -4.597 1.00 0.00 H new ATOM 0 HG3 LYS A 66 2.347 -14.039 -4.908 1.00 0.00 H new ATOM 0 HD2 LYS A 66 3.317 -13.504 -6.991 1.00 0.00 H new ATOM 0 HD3 LYS A 66 3.069 -11.925 -6.273 1.00 0.00 H new ATOM 0 HE2 LYS A 66 5.639 -12.899 -5.384 1.00 0.00 H new ATOM 0 HE3 LYS A 66 5.552 -13.133 -7.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 6.094 -10.988 -7.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 4.482 -10.665 -6.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 5.685 -10.690 -5.604 1.00 0.00 H new ATOM 1070 N SER A 67 5.077 -10.126 -2.424 1.00 0.00 N ATOM 1071 CA SER A 67 5.778 -8.862 -2.566 1.00 0.00 C ATOM 1072 C SER A 67 6.459 -8.489 -1.247 1.00 0.00 C ATOM 1073 O SER A 67 6.473 -7.322 -0.859 1.00 0.00 O ATOM 1074 CB SER A 67 4.823 -7.748 -3.002 1.00 0.00 C ATOM 1075 OG SER A 67 5.348 -6.989 -4.087 1.00 0.00 O ATOM 0 H SER A 67 4.365 -10.139 -1.694 1.00 0.00 H new ATOM 0 HA SER A 67 6.537 -8.978 -3.340 1.00 0.00 H new ATOM 0 HB2 SER A 67 3.867 -8.183 -3.293 1.00 0.00 H new ATOM 0 HB3 SER A 67 4.628 -7.087 -2.158 1.00 0.00 H new ATOM 0 HG SER A 67 4.690 -6.957 -4.812 1.00 0.00 H new ATOM 1081 N ASN A 68 7.008 -9.504 -0.595 1.00 0.00 N ATOM 1082 CA ASN A 68 7.689 -9.298 0.672 1.00 0.00 C ATOM 1083 C ASN A 68 8.987 -8.527 0.428 1.00 0.00 C ATOM 1084 O ASN A 68 9.269 -7.545 1.114 1.00 0.00 O ATOM 1085 CB ASN A 68 8.047 -10.634 1.328 1.00 0.00 C ATOM 1086 CG ASN A 68 7.341 -10.789 2.676 1.00 0.00 C ATOM 1087 OD1 ASN A 68 6.497 -9.995 3.059 1.00 0.00 O ATOM 1088 ND2 ASN A 68 7.732 -11.851 3.372 1.00 0.00 N ATOM 0 H ASN A 68 6.995 -10.471 -0.920 1.00 0.00 H new ATOM 0 HA ASN A 68 7.020 -8.742 1.329 1.00 0.00 H new ATOM 0 HB2 ASN A 68 7.764 -11.454 0.669 1.00 0.00 H new ATOM 0 HB3 ASN A 68 9.126 -10.696 1.469 1.00 0.00 H new ATOM 0 HD21 ASN A 68 7.321 -12.042 4.286 1.00 0.00 H new ATOM 0 HD22 ASN A 68 8.444 -12.476 2.993 1.00 0.00 H new ATOM 1095 N THR A 69 9.745 -9.002 -0.550 1.00 0.00 N ATOM 1096 CA THR A 69 11.008 -8.369 -0.893 1.00 0.00 C ATOM 1097 C THR A 69 11.202 -8.352 -2.410 1.00 0.00 C ATOM 1098 O THR A 69 12.006 -9.113 -2.945 1.00 0.00 O ATOM 1099 CB THR A 69 12.122 -9.104 -0.146 1.00 0.00 C ATOM 1100 OG1 THR A 69 12.147 -8.487 1.138 1.00 0.00 O ATOM 1101 CG2 THR A 69 13.508 -8.812 -0.726 1.00 0.00 C ATOM 0 H THR A 69 9.509 -9.817 -1.116 1.00 0.00 H new ATOM 0 HA THR A 69 11.024 -7.324 -0.584 1.00 0.00 H new ATOM 0 HB THR A 69 11.933 -10.177 -0.179 1.00 0.00 H new ATOM 0 HG1 THR A 69 11.320 -7.978 1.272 1.00 0.00 H new ATOM 0 HG21 THR A 69 14.262 -9.358 -0.159 1.00 0.00 H new ATOM 0 HG22 THR A 69 13.540 -9.127 -1.769 1.00 0.00 H new ATOM 0 HG23 THR A 69 13.711 -7.743 -0.663 1.00 0.00 H new ATOM 1109 N ARG A 70 10.451 -7.476 -3.060 1.00 0.00 N ATOM 1110 CA ARG A 70 10.529 -7.350 -4.505 1.00 0.00 C ATOM 1111 C ARG A 70 9.818 -6.075 -4.967 1.00 0.00 C ATOM 1112 O ARG A 70 10.312 -5.366 -5.841 1.00 0.00 O ATOM 1113 CB ARG A 70 9.897 -8.557 -5.200 1.00 0.00 C ATOM 1114 CG ARG A 70 10.727 -8.990 -6.410 1.00 0.00 C ATOM 1115 CD ARG A 70 10.509 -10.472 -6.723 1.00 0.00 C ATOM 1116 NE ARG A 70 11.342 -10.874 -7.878 1.00 0.00 N ATOM 1117 CZ ARG A 70 11.456 -12.133 -8.321 1.00 0.00 C ATOM 1118 NH1 ARG A 70 10.789 -13.122 -7.709 1.00 0.00 N ATOM 1119 NH2 ARG A 70 12.235 -12.404 -9.377 1.00 0.00 N ATOM 0 H ARG A 70 9.785 -6.846 -2.612 1.00 0.00 H new ATOM 0 HA ARG A 70 11.584 -7.301 -4.775 1.00 0.00 H new ATOM 0 HB2 ARG A 70 9.815 -9.385 -4.496 1.00 0.00 H new ATOM 0 HB3 ARG A 70 8.885 -8.309 -5.519 1.00 0.00 H new ATOM 0 HG2 ARG A 70 10.454 -8.388 -7.277 1.00 0.00 H new ATOM 0 HG3 ARG A 70 11.784 -8.808 -6.215 1.00 0.00 H new ATOM 0 HD2 ARG A 70 10.763 -11.077 -5.853 1.00 0.00 H new ATOM 0 HD3 ARG A 70 9.457 -10.655 -6.942 1.00 0.00 H new ATOM 0 HE ARG A 70 11.862 -10.146 -8.368 1.00 0.00 H new ATOM 0 HH11 ARG A 70 10.195 -12.916 -6.906 1.00 0.00 H new ATOM 0 HH12 ARG A 70 10.876 -14.081 -8.046 1.00 0.00 H new ATOM 0 HH21 ARG A 70 12.741 -11.652 -9.844 1.00 0.00 H new ATOM 0 HH22 ARG A 70 12.322 -13.363 -9.714 1.00 0.00 H new ATOM 1133 N ASN A 71 8.667 -5.825 -4.358 1.00 0.00 N ATOM 1134 CA ASN A 71 7.883 -4.649 -4.694 1.00 0.00 C ATOM 1135 C ASN A 71 8.821 -3.458 -4.904 1.00 0.00 C ATOM 1136 O ASN A 71 8.857 -2.875 -5.986 1.00 0.00 O ATOM 1137 CB ASN A 71 6.912 -4.294 -3.568 1.00 0.00 C ATOM 1138 CG ASN A 71 5.989 -3.145 -3.982 1.00 0.00 C ATOM 1139 OD1 ASN A 71 5.743 -2.903 -5.152 1.00 0.00 O ATOM 1140 ND2 ASN A 71 5.492 -2.456 -2.959 1.00 0.00 N ATOM 0 H ASN A 71 8.259 -6.417 -3.634 1.00 0.00 H new ATOM 0 HA ASN A 71 7.319 -4.868 -5.600 1.00 0.00 H new ATOM 0 HB2 ASN A 71 6.316 -5.169 -3.308 1.00 0.00 H new ATOM 0 HB3 ASN A 71 7.471 -4.013 -2.676 1.00 0.00 H new ATOM 0 HD21 ASN A 71 4.863 -1.671 -3.130 1.00 0.00 H new ATOM 0 HD22 ASN A 71 5.739 -2.712 -2.003 1.00 0.00 H new ATOM 1147 N ASN A 72 9.557 -3.133 -3.851 1.00 0.00 N ATOM 1148 CA ASN A 72 10.492 -2.023 -3.906 1.00 0.00 C ATOM 1149 C ASN A 72 11.427 -2.207 -5.102 1.00 0.00 C ATOM 1150 O ASN A 72 11.604 -1.291 -5.903 1.00 0.00 O ATOM 1151 CB ASN A 72 11.350 -1.963 -2.641 1.00 0.00 C ATOM 1152 CG ASN A 72 10.475 -1.884 -1.388 1.00 0.00 C ATOM 1153 OD1 ASN A 72 10.295 -2.849 -0.663 1.00 0.00 O ATOM 1154 ND2 ASN A 72 9.943 -0.684 -1.173 1.00 0.00 N ATOM 0 H ASN A 72 9.524 -3.619 -2.955 1.00 0.00 H new ATOM 0 HA ASN A 72 9.916 -1.102 -3.996 1.00 0.00 H new ATOM 0 HB2 ASN A 72 11.988 -2.845 -2.588 1.00 0.00 H new ATOM 0 HB3 ASN A 72 12.008 -1.095 -2.685 1.00 0.00 H new ATOM 0 HD21 ASN A 72 9.344 -0.530 -0.362 1.00 0.00 H new ATOM 0 HD22 ASN A 72 10.134 0.082 -1.819 1.00 0.00 H new ATOM 1161 N MET A 73 12.000 -3.399 -5.187 1.00 0.00 N ATOM 1162 CA MET A 73 12.912 -3.715 -6.272 1.00 0.00 C ATOM 1163 C MET A 73 14.214 -2.923 -6.143 1.00 0.00 C ATOM 1164 O MET A 73 15.263 -3.491 -5.838 1.00 0.00 O ATOM 1165 CB MET A 73 12.247 -3.389 -7.611 1.00 0.00 C ATOM 1166 CG MET A 73 12.487 -4.503 -8.630 1.00 0.00 C ATOM 1167 SD MET A 73 13.894 -4.104 -9.653 1.00 0.00 S ATOM 1168 CE MET A 73 15.175 -4.989 -8.779 1.00 0.00 C ATOM 0 H MET A 73 11.850 -4.157 -4.522 1.00 0.00 H new ATOM 0 HA MET A 73 13.149 -4.778 -6.223 1.00 0.00 H new ATOM 0 HB2 MET A 73 11.176 -3.251 -7.464 1.00 0.00 H new ATOM 0 HB3 MET A 73 12.640 -2.448 -7.996 1.00 0.00 H new ATOM 0 HG2 MET A 73 12.659 -5.448 -8.114 1.00 0.00 H new ATOM 0 HG3 MET A 73 11.601 -4.635 -9.251 1.00 0.00 H new ATOM 0 HE1 MET A 73 16.112 -4.436 -8.849 1.00 0.00 H new ATOM 0 HE2 MET A 73 14.894 -5.096 -7.731 1.00 0.00 H new ATOM 0 HE3 MET A 73 15.303 -5.976 -9.223 1.00 0.00 H new ATOM 1178 N ILE A 74 14.106 -1.624 -6.380 1.00 0.00 N ATOM 1179 CA ILE A 74 15.262 -0.748 -6.293 1.00 0.00 C ATOM 1180 C ILE A 74 14.865 0.544 -5.576 1.00 0.00 C ATOM 1181 O ILE A 74 13.715 0.705 -5.172 1.00 0.00 O ATOM 1182 CB ILE A 74 15.868 -0.521 -7.680 1.00 0.00 C ATOM 1183 CG1 ILE A 74 14.809 -0.018 -8.664 1.00 0.00 C ATOM 1184 CG2 ILE A 74 16.567 -1.784 -8.187 1.00 0.00 C ATOM 1185 CD1 ILE A 74 14.735 1.510 -8.658 1.00 0.00 C ATOM 0 H ILE A 74 13.235 -1.157 -6.632 1.00 0.00 H new ATOM 0 HA ILE A 74 16.049 -1.213 -5.699 1.00 0.00 H new ATOM 0 HB ILE A 74 16.628 0.256 -7.598 1.00 0.00 H new ATOM 0 HG12 ILE A 74 15.045 -0.370 -9.668 1.00 0.00 H new ATOM 0 HG13 ILE A 74 13.836 -0.434 -8.401 1.00 0.00 H new ATOM 0 HG21 ILE A 74 16.989 -1.595 -9.174 1.00 0.00 H new ATOM 0 HG22 ILE A 74 17.365 -2.059 -7.498 1.00 0.00 H new ATOM 0 HG23 ILE A 74 15.846 -2.599 -8.250 1.00 0.00 H new ATOM 0 HD11 ILE A 74 13.975 1.840 -9.366 1.00 0.00 H new ATOM 0 HD12 ILE A 74 14.475 1.858 -7.658 1.00 0.00 H new ATOM 0 HD13 ILE A 74 15.702 1.922 -8.946 1.00 0.00 H new ATOM 1197 N GLN A 75 15.840 1.430 -5.440 1.00 0.00 N ATOM 1198 CA GLN A 75 15.607 2.703 -4.778 1.00 0.00 C ATOM 1199 C GLN A 75 16.240 3.842 -5.582 1.00 0.00 C ATOM 1200 O GLN A 75 17.318 4.324 -5.237 1.00 0.00 O ATOM 1201 CB GLN A 75 16.139 2.681 -3.344 1.00 0.00 C ATOM 1202 CG GLN A 75 15.224 1.863 -2.431 1.00 0.00 C ATOM 1203 CD GLN A 75 15.063 2.539 -1.068 1.00 0.00 C ATOM 1204 OE1 GLN A 75 15.837 2.330 -0.148 1.00 0.00 O ATOM 1205 NE2 GLN A 75 14.018 3.358 -0.989 1.00 0.00 N ATOM 0 H GLN A 75 16.793 1.292 -5.777 1.00 0.00 H new ATOM 0 HA GLN A 75 14.532 2.874 -4.728 1.00 0.00 H new ATOM 0 HB2 GLN A 75 17.143 2.258 -3.332 1.00 0.00 H new ATOM 0 HB3 GLN A 75 16.218 3.700 -2.966 1.00 0.00 H new ATOM 0 HG2 GLN A 75 14.247 1.745 -2.900 1.00 0.00 H new ATOM 0 HG3 GLN A 75 15.637 0.863 -2.298 1.00 0.00 H new ATOM 0 HE21 GLN A 75 13.410 3.488 -1.797 1.00 0.00 H new ATOM 0 HE22 GLN A 75 13.825 3.856 -0.120 1.00 0.00 H new ATOM 1214 N THR A 76 15.542 4.240 -6.635 1.00 0.00 N ATOM 1215 CA THR A 76 16.021 5.313 -7.489 1.00 0.00 C ATOM 1216 C THR A 76 15.309 6.623 -7.149 1.00 0.00 C ATOM 1217 O THR A 76 14.215 6.613 -6.586 1.00 0.00 O ATOM 1218 CB THR A 76 15.833 4.878 -8.944 1.00 0.00 C ATOM 1219 OG1 THR A 76 16.511 5.882 -9.696 1.00 0.00 O ATOM 1220 CG2 THR A 76 14.378 4.988 -9.404 1.00 0.00 C ATOM 0 H THR A 76 14.648 3.838 -6.916 1.00 0.00 H new ATOM 0 HA THR A 76 17.082 5.505 -7.327 1.00 0.00 H new ATOM 0 HB THR A 76 16.175 3.850 -9.063 1.00 0.00 H new ATOM 0 HG1 THR A 76 16.441 5.678 -10.652 1.00 0.00 H new ATOM 0 HG21 THR A 76 14.300 4.668 -10.443 1.00 0.00 H new ATOM 0 HG22 THR A 76 13.750 4.352 -8.780 1.00 0.00 H new ATOM 0 HG23 THR A 76 14.046 6.023 -9.318 1.00 0.00 H new ATOM 1228 N LYS A 77 15.959 7.722 -7.503 1.00 0.00 N ATOM 1229 CA LYS A 77 15.402 9.039 -7.243 1.00 0.00 C ATOM 1230 C LYS A 77 15.650 9.941 -8.453 1.00 0.00 C ATOM 1231 O LYS A 77 16.794 10.268 -8.764 1.00 0.00 O ATOM 1232 CB LYS A 77 15.952 9.603 -5.932 1.00 0.00 C ATOM 1233 CG LYS A 77 15.117 10.793 -5.454 1.00 0.00 C ATOM 1234 CD LYS A 77 13.862 10.322 -4.717 1.00 0.00 C ATOM 1235 CE LYS A 77 12.656 11.192 -5.078 1.00 0.00 C ATOM 1236 NZ LYS A 77 11.944 11.623 -3.854 1.00 0.00 N ATOM 0 H LYS A 77 16.867 7.727 -7.968 1.00 0.00 H new ATOM 0 HA LYS A 77 14.322 8.977 -7.108 1.00 0.00 H new ATOM 0 HB2 LYS A 77 15.953 8.825 -5.169 1.00 0.00 H new ATOM 0 HB3 LYS A 77 16.988 9.913 -6.071 1.00 0.00 H new ATOM 0 HG2 LYS A 77 15.716 11.421 -4.794 1.00 0.00 H new ATOM 0 HG3 LYS A 77 14.832 11.408 -6.308 1.00 0.00 H new ATOM 0 HD2 LYS A 77 13.655 9.283 -4.972 1.00 0.00 H new ATOM 0 HD3 LYS A 77 14.032 10.358 -3.641 1.00 0.00 H new ATOM 0 HE2 LYS A 77 12.985 12.065 -5.641 1.00 0.00 H new ATOM 0 HE3 LYS A 77 11.978 10.634 -5.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 11.128 12.212 -4.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 11.613 10.786 -3.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 12.590 12.173 -3.252 1.00 0.00 H new ATOM 1250 N PRO A 78 14.530 10.329 -9.120 1.00 0.00 N ATOM 1251 CA PRO A 78 14.616 11.188 -10.290 1.00 0.00 C ATOM 1252 C PRO A 78 14.918 12.632 -9.888 1.00 0.00 C ATOM 1253 O PRO A 78 14.480 13.093 -8.834 1.00 0.00 O ATOM 1254 CB PRO A 78 13.274 11.034 -10.989 1.00 0.00 C ATOM 1255 CG PRO A 78 12.324 10.463 -9.948 1.00 0.00 C ATOM 1256 CD PRO A 78 13.159 9.962 -8.781 1.00 0.00 C ATOM 0 HA PRO A 78 15.432 10.911 -10.957 1.00 0.00 H new ATOM 0 HB2 PRO A 78 12.915 11.994 -11.361 1.00 0.00 H new ATOM 0 HB3 PRO A 78 13.356 10.370 -11.849 1.00 0.00 H new ATOM 0 HG2 PRO A 78 11.620 11.225 -9.614 1.00 0.00 H new ATOM 0 HG3 PRO A 78 11.735 9.650 -10.373 1.00 0.00 H new ATOM 0 HD2 PRO A 78 12.846 10.423 -7.844 1.00 0.00 H new ATOM 0 HD3 PRO A 78 13.057 8.884 -8.656 1.00 0.00 H new ATOM 1264 N THR A 79 15.665 13.309 -10.749 1.00 0.00 N ATOM 1265 CA THR A 79 16.032 14.692 -10.497 1.00 0.00 C ATOM 1266 C THR A 79 15.392 15.611 -11.539 1.00 0.00 C ATOM 1267 O THR A 79 14.772 15.140 -12.491 1.00 0.00 O ATOM 1268 CB THR A 79 17.558 14.778 -10.465 1.00 0.00 C ATOM 1269 OG1 THR A 79 17.934 13.899 -9.408 1.00 0.00 O ATOM 1270 CG2 THR A 79 18.058 16.149 -10.006 1.00 0.00 C ATOM 0 H THR A 79 16.026 12.925 -11.622 1.00 0.00 H new ATOM 0 HA THR A 79 15.654 15.033 -9.533 1.00 0.00 H new ATOM 0 HB THR A 79 17.954 14.561 -11.457 1.00 0.00 H new ATOM 0 HG1 THR A 79 18.910 13.893 -9.319 1.00 0.00 H new ATOM 0 HG21 THR A 79 19.148 16.156 -10.001 1.00 0.00 H new ATOM 0 HG22 THR A 79 17.693 16.917 -10.689 1.00 0.00 H new ATOM 0 HG23 THR A 79 17.690 16.353 -9.001 1.00 0.00 H new ATOM 1278 N GLY A 80 15.565 16.907 -11.324 1.00 0.00 N ATOM 1279 CA GLY A 80 15.013 17.897 -12.233 1.00 0.00 C ATOM 1280 C GLY A 80 15.635 19.273 -11.989 1.00 0.00 C ATOM 1281 O GLY A 80 14.983 20.166 -11.451 1.00 0.00 O ATOM 0 H GLY A 80 16.080 17.294 -10.533 1.00 0.00 H new ATOM 0 HA2 GLY A 80 15.193 17.590 -13.263 1.00 0.00 H new ATOM 0 HA3 GLY A 80 13.932 17.954 -12.102 1.00 0.00 H new ATOM 1285 N THR A 81 16.889 19.401 -12.397 1.00 0.00 N ATOM 1286 CA THR A 81 17.606 20.654 -12.229 1.00 0.00 C ATOM 1287 C THR A 81 17.552 21.476 -13.517 1.00 0.00 C ATOM 1288 O THR A 81 17.209 20.955 -14.577 1.00 0.00 O ATOM 1289 CB THR A 81 19.031 20.326 -11.777 1.00 0.00 C ATOM 1290 OG1 THR A 81 18.875 19.184 -10.938 1.00 0.00 O ATOM 1291 CG2 THR A 81 19.611 21.394 -10.849 1.00 0.00 C ATOM 0 H THR A 81 17.427 18.658 -12.843 1.00 0.00 H new ATOM 0 HA THR A 81 17.141 21.276 -11.464 1.00 0.00 H new ATOM 0 HB THR A 81 19.673 20.218 -12.651 1.00 0.00 H new ATOM 0 HG1 THR A 81 19.752 18.903 -10.602 1.00 0.00 H new ATOM 0 HG21 THR A 81 20.623 21.113 -10.558 1.00 0.00 H new ATOM 0 HG22 THR A 81 19.636 22.352 -11.368 1.00 0.00 H new ATOM 0 HG23 THR A 81 18.988 21.480 -9.959 1.00 0.00 H new ATOM 1299 N GLN A 82 17.894 22.749 -13.384 1.00 0.00 N ATOM 1300 CA GLN A 82 17.888 23.650 -14.524 1.00 0.00 C ATOM 1301 C GLN A 82 19.138 24.533 -14.510 1.00 0.00 C ATOM 1302 O GLN A 82 19.931 24.477 -13.572 1.00 0.00 O ATOM 1303 CB GLN A 82 16.616 24.499 -14.545 1.00 0.00 C ATOM 1304 CG GLN A 82 15.976 24.495 -15.935 1.00 0.00 C ATOM 1305 CD GLN A 82 14.675 23.691 -15.938 1.00 0.00 C ATOM 1306 OE1 GLN A 82 14.587 22.603 -16.482 1.00 0.00 O ATOM 1307 NE2 GLN A 82 13.671 24.286 -15.299 1.00 0.00 N ATOM 0 H GLN A 82 18.177 23.178 -12.503 1.00 0.00 H new ATOM 0 HA GLN A 82 17.901 23.052 -15.435 1.00 0.00 H new ATOM 0 HB2 GLN A 82 15.906 24.115 -13.813 1.00 0.00 H new ATOM 0 HB3 GLN A 82 16.853 25.522 -14.253 1.00 0.00 H new ATOM 0 HG2 GLN A 82 15.775 25.519 -16.250 1.00 0.00 H new ATOM 0 HG3 GLN A 82 16.672 24.070 -16.658 1.00 0.00 H new ATOM 0 HE21 GLN A 82 13.812 25.198 -14.865 1.00 0.00 H new ATOM 0 HE22 GLN A 82 12.760 23.830 -15.243 1.00 0.00 H new ATOM 1316 N GLN A 83 19.273 25.327 -15.561 1.00 0.00 N ATOM 1317 CA GLN A 83 20.412 26.222 -15.682 1.00 0.00 C ATOM 1318 C GLN A 83 19.959 27.595 -16.180 1.00 0.00 C ATOM 1319 O GLN A 83 18.864 27.732 -16.722 1.00 0.00 O ATOM 1320 CB GLN A 83 21.480 25.628 -16.604 1.00 0.00 C ATOM 1321 CG GLN A 83 22.878 25.812 -16.013 1.00 0.00 C ATOM 1322 CD GLN A 83 23.299 24.581 -15.207 1.00 0.00 C ATOM 1323 OE1 GLN A 83 24.558 24.206 -15.409 1.00 0.00 O flip ATOM 1324 NE2 GLN A 83 22.531 24.010 -14.450 1.00 0.00 N flip ATOM 0 H GLN A 83 18.613 25.370 -16.337 1.00 0.00 H new ATOM 0 HA GLN A 83 20.858 26.346 -14.695 1.00 0.00 H new ATOM 0 HB2 GLN A 83 21.283 24.567 -16.758 1.00 0.00 H new ATOM 0 HB3 GLN A 83 21.429 26.107 -17.582 1.00 0.00 H new ATOM 0 HG2 GLN A 83 23.595 25.989 -16.815 1.00 0.00 H new ATOM 0 HG3 GLN A 83 22.893 26.693 -15.372 1.00 0.00 H new ATOM 0 HE21 GLN A 83 21.576 24.350 -14.341 1.00 0.00 H new ATOM 0 HE22 GLN A 83 22.844 23.193 -13.926 1.00 0.00 H new ATOM 1333 N SER A 84 20.824 28.578 -15.977 1.00 0.00 N ATOM 1334 CA SER A 84 20.527 29.936 -16.399 1.00 0.00 C ATOM 1335 C SER A 84 21.813 30.644 -16.830 1.00 0.00 C ATOM 1336 O SER A 84 22.904 30.271 -16.402 1.00 0.00 O ATOM 1337 CB SER A 84 19.838 30.722 -15.281 1.00 0.00 C ATOM 1338 OG SER A 84 18.497 31.066 -15.618 1.00 0.00 O ATOM 0 H SER A 84 21.731 28.461 -15.526 1.00 0.00 H new ATOM 0 HA SER A 84 19.844 29.888 -17.247 1.00 0.00 H new ATOM 0 HB2 SER A 84 19.841 30.129 -14.366 1.00 0.00 H new ATOM 0 HB3 SER A 84 20.404 31.630 -15.074 1.00 0.00 H new ATOM 0 HG SER A 84 18.092 31.565 -14.878 1.00 0.00 H new ATOM 1344 N THR A 85 21.641 31.652 -17.673 1.00 0.00 N ATOM 1345 CA THR A 85 22.775 32.415 -18.167 1.00 0.00 C ATOM 1346 C THR A 85 22.553 33.910 -17.934 1.00 0.00 C ATOM 1347 O THR A 85 21.445 34.334 -17.612 1.00 0.00 O ATOM 1348 CB THR A 85 22.983 32.053 -19.640 1.00 0.00 C ATOM 1349 OG1 THR A 85 23.054 30.630 -19.641 1.00 0.00 O ATOM 1350 CG2 THR A 85 24.351 32.495 -20.163 1.00 0.00 C ATOM 0 H THR A 85 20.734 31.958 -18.026 1.00 0.00 H new ATOM 0 HA THR A 85 23.687 32.165 -17.624 1.00 0.00 H new ATOM 0 HB THR A 85 22.199 32.512 -20.241 1.00 0.00 H new ATOM 0 HG1 THR A 85 23.187 30.310 -20.558 1.00 0.00 H new ATOM 0 HG21 THR A 85 24.448 32.214 -21.212 1.00 0.00 H new ATOM 0 HG22 THR A 85 24.445 33.577 -20.066 1.00 0.00 H new ATOM 0 HG23 THR A 85 25.136 32.009 -19.584 1.00 0.00 H new ATOM 1358 N ASN A 86 23.625 34.670 -18.108 1.00 0.00 N ATOM 1359 CA ASN A 86 23.562 36.109 -17.921 1.00 0.00 C ATOM 1360 C ASN A 86 24.437 36.795 -18.971 1.00 0.00 C ATOM 1361 O ASN A 86 25.312 36.164 -19.562 1.00 0.00 O ATOM 1362 CB ASN A 86 24.081 36.508 -16.538 1.00 0.00 C ATOM 1363 CG ASN A 86 23.200 37.592 -15.914 1.00 0.00 C ATOM 1364 OD1 ASN A 86 22.148 37.942 -16.422 1.00 0.00 O ATOM 1365 ND2 ASN A 86 23.688 38.101 -14.786 1.00 0.00 N ATOM 0 H ASN A 86 24.543 34.315 -18.377 1.00 0.00 H new ATOM 0 HA ASN A 86 22.521 36.416 -18.018 1.00 0.00 H new ATOM 0 HB2 ASN A 86 24.103 35.633 -15.888 1.00 0.00 H new ATOM 0 HB3 ASN A 86 25.106 36.870 -16.621 1.00 0.00 H new ATOM 0 HD21 ASN A 86 23.174 38.830 -14.292 1.00 0.00 H new ATOM 0 HD22 ASN A 86 24.576 37.762 -14.416 1.00 0.00 H new ATOM 1372 N THR A 87 24.170 38.077 -19.172 1.00 0.00 N ATOM 1373 CA THR A 87 24.923 38.855 -20.141 1.00 0.00 C ATOM 1374 C THR A 87 25.387 40.174 -19.521 1.00 0.00 C ATOM 1375 O THR A 87 25.113 40.446 -18.353 1.00 0.00 O ATOM 1376 CB THR A 87 24.046 39.042 -21.381 1.00 0.00 C ATOM 1377 OG1 THR A 87 22.959 39.838 -20.920 1.00 0.00 O ATOM 1378 CG2 THR A 87 23.387 37.738 -21.835 1.00 0.00 C ATOM 0 H THR A 87 23.443 38.596 -18.680 1.00 0.00 H new ATOM 0 HA THR A 87 25.833 38.336 -20.443 1.00 0.00 H new ATOM 0 HB THR A 87 24.649 39.446 -22.194 1.00 0.00 H new ATOM 0 HG1 THR A 87 22.341 40.009 -21.661 1.00 0.00 H new ATOM 0 HG21 THR A 87 22.776 37.927 -22.718 1.00 0.00 H new ATOM 0 HG22 THR A 87 24.157 37.006 -22.077 1.00 0.00 H new ATOM 0 HG23 THR A 87 22.757 37.351 -21.034 1.00 0.00 H new ATOM 1386 N ALA A 88 26.084 40.958 -20.331 1.00 0.00 N ATOM 1387 CA ALA A 88 26.590 42.242 -19.876 1.00 0.00 C ATOM 1388 C ALA A 88 27.287 42.952 -21.038 1.00 0.00 C ATOM 1389 O ALA A 88 28.502 42.844 -21.196 1.00 0.00 O ATOM 1390 CB ALA A 88 27.520 42.030 -18.679 1.00 0.00 C ATOM 0 H ALA A 88 26.310 40.729 -21.299 1.00 0.00 H new ATOM 0 HA ALA A 88 25.772 42.881 -19.543 1.00 0.00 H new ATOM 0 HB1 ALA A 88 27.899 42.993 -18.338 1.00 0.00 H new ATOM 0 HB2 ALA A 88 26.969 41.550 -17.870 1.00 0.00 H new ATOM 0 HB3 ALA A 88 28.355 41.395 -18.975 1.00 0.00 H new ATOM 1396 N VAL A 89 26.488 43.662 -21.820 1.00 0.00 N ATOM 1397 CA VAL A 89 27.014 44.389 -22.964 1.00 0.00 C ATOM 1398 C VAL A 89 26.610 45.860 -22.856 1.00 0.00 C ATOM 1399 O VAL A 89 25.432 46.175 -22.695 1.00 0.00 O ATOM 1400 CB VAL A 89 26.542 43.733 -24.264 1.00 0.00 C ATOM 1401 CG1 VAL A 89 25.016 43.771 -24.374 1.00 0.00 C ATOM 1402 CG2 VAL A 89 27.196 44.391 -25.479 1.00 0.00 C ATOM 0 H VAL A 89 25.481 43.750 -21.685 1.00 0.00 H new ATOM 0 HA VAL A 89 28.103 44.350 -22.974 1.00 0.00 H new ATOM 0 HB VAL A 89 26.851 42.688 -24.243 1.00 0.00 H new ATOM 0 HG11 VAL A 89 24.707 43.299 -25.306 1.00 0.00 H new ATOM 0 HG12 VAL A 89 24.577 43.235 -23.533 1.00 0.00 H new ATOM 0 HG13 VAL A 89 24.676 44.807 -24.362 1.00 0.00 H new ATOM 0 HG21 VAL A 89 26.843 43.906 -26.389 1.00 0.00 H new ATOM 0 HG22 VAL A 89 26.933 45.448 -25.506 1.00 0.00 H new ATOM 0 HG23 VAL A 89 28.279 44.288 -25.409 1.00 0.00 H new ATOM 1412 N THR A 90 27.611 46.723 -22.949 1.00 0.00 N ATOM 1413 CA THR A 90 27.375 48.154 -22.864 1.00 0.00 C ATOM 1414 C THR A 90 28.011 48.872 -24.057 1.00 0.00 C ATOM 1415 O THR A 90 29.002 48.401 -24.614 1.00 0.00 O ATOM 1416 CB THR A 90 27.901 48.642 -21.512 1.00 0.00 C ATOM 1417 OG1 THR A 90 27.061 47.995 -20.560 1.00 0.00 O ATOM 1418 CG2 THR A 90 27.642 50.132 -21.286 1.00 0.00 C ATOM 0 H THR A 90 28.587 46.459 -23.082 1.00 0.00 H new ATOM 0 HA THR A 90 26.310 48.382 -22.917 1.00 0.00 H new ATOM 0 HB THR A 90 28.971 48.446 -21.447 1.00 0.00 H new ATOM 0 HG1 THR A 90 27.333 48.254 -19.655 1.00 0.00 H new ATOM 0 HG21 THR A 90 28.035 50.426 -20.313 1.00 0.00 H new ATOM 0 HG22 THR A 90 28.137 50.710 -22.067 1.00 0.00 H new ATOM 0 HG23 THR A 90 26.569 50.324 -21.317 1.00 0.00 H new ATOM 1426 N LEU A 91 27.416 50.000 -24.415 1.00 0.00 N ATOM 1427 CA LEU A 91 27.911 50.787 -25.530 1.00 0.00 C ATOM 1428 C LEU A 91 28.532 52.082 -25.001 1.00 0.00 C ATOM 1429 O LEU A 91 27.856 52.877 -24.350 1.00 0.00 O ATOM 1430 CB LEU A 91 26.803 51.013 -26.561 1.00 0.00 C ATOM 1431 CG LEU A 91 26.842 52.349 -27.307 1.00 0.00 C ATOM 1432 CD1 LEU A 91 28.046 52.416 -28.249 1.00 0.00 C ATOM 1433 CD2 LEU A 91 25.525 52.605 -28.042 1.00 0.00 C ATOM 0 H LEU A 91 26.594 50.388 -23.951 1.00 0.00 H new ATOM 0 HA LEU A 91 28.699 50.247 -26.056 1.00 0.00 H new ATOM 0 HB2 LEU A 91 26.848 50.208 -27.295 1.00 0.00 H new ATOM 0 HB3 LEU A 91 25.841 50.930 -26.055 1.00 0.00 H new ATOM 0 HG LEU A 91 26.962 53.146 -26.574 1.00 0.00 H new ATOM 0 HD11 LEU A 91 28.050 53.375 -28.767 1.00 0.00 H new ATOM 0 HD12 LEU A 91 28.965 52.311 -27.673 1.00 0.00 H new ATOM 0 HD13 LEU A 91 27.982 51.610 -28.980 1.00 0.00 H new ATOM 0 HD21 LEU A 91 25.579 53.560 -28.564 1.00 0.00 H new ATOM 0 HD22 LEU A 91 25.350 51.807 -28.764 1.00 0.00 H new ATOM 0 HD23 LEU A 91 24.706 52.630 -27.323 1.00 0.00 H new ATOM 1445 N THR A 92 29.810 52.253 -25.302 1.00 0.00 N ATOM 1446 CA THR A 92 30.529 53.439 -24.864 1.00 0.00 C ATOM 1447 C THR A 92 31.199 54.126 -26.055 1.00 0.00 C ATOM 1448 O THR A 92 31.882 55.136 -25.890 1.00 0.00 O ATOM 1449 CB THR A 92 31.516 53.017 -23.773 1.00 0.00 C ATOM 1450 OG1 THR A 92 32.176 54.228 -23.415 1.00 0.00 O ATOM 1451 CG2 THR A 92 32.638 52.126 -24.311 1.00 0.00 C ATOM 0 H THR A 92 30.367 51.592 -25.843 1.00 0.00 H new ATOM 0 HA THR A 92 29.850 54.179 -24.441 1.00 0.00 H new ATOM 0 HB THR A 92 30.981 52.489 -22.984 1.00 0.00 H new ATOM 0 HG1 THR A 92 32.071 54.883 -24.136 1.00 0.00 H new ATOM 0 HG21 THR A 92 33.310 51.855 -23.497 1.00 0.00 H new ATOM 0 HG22 THR A 92 32.209 51.222 -24.743 1.00 0.00 H new ATOM 0 HG23 THR A 92 33.195 52.665 -25.077 1.00 0.00 H new ATOM 1459 N GLY A 93 30.978 53.553 -27.228 1.00 0.00 N ATOM 1460 CA GLY A 93 31.552 54.099 -28.448 1.00 0.00 C ATOM 1461 C GLY A 93 30.970 55.480 -28.756 1.00 0.00 C ATOM 1462 O GLY A 93 31.423 56.156 -29.679 1.00 0.00 O ATOM 0 H GLY A 93 30.410 52.716 -27.361 1.00 0.00 H new ATOM 0 HA2 GLY A 93 32.635 54.171 -28.344 1.00 0.00 H new ATOM 0 HA3 GLY A 93 31.356 53.424 -29.281 1.00 0.00 H new TER 1466 GLY A 93