USER MOD reduce.3.24.130724 H: found=0, std=0, add=626, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 625 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 7 THR OG1 : rot 178:sc= 0.437 USER MOD Set 1.2: A 9 THR OG1 : rot -67:sc= -0.21 USER MOD Single : A 1 MET CE :methyl 172:sc= 0 (180deg=-0.0547) USER MOD Single : A 1 MET N :NH3+ -157:sc=-0.00563 (180deg=-0.179) USER MOD Single : A 2 GLN : amide:sc= -0.225 X(o=-0.23,f=0) USER MOD Single : A 6 LYS NZ :NH3+ -136:sc= -3.24! (180deg=-5.7!) USER MOD Single : A 11 LYS NZ :NH3+ -176:sc= 0.029 (180deg=0.0233) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -81:sc= 1.29 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ -143:sc= -3.8! (180deg=-6.16!) USER MOD Single : A 29 LYS NZ :NH3+ -146:sc= -0.477 (180deg=-0.74) USER MOD Single : A 31 GLN : amide:sc= -2.4! C(o=-2.4!,f=-2.6!) USER MOD Single : A 33 LYS NZ :NH3+ -161:sc= -0.0372 (180deg=-0.371) USER MOD Single : A 40 GLN : amide:sc= -0.681 X(o=-0.68,f=-0.5) USER MOD Single : A 41 GLN : amide:sc= -1.95 K(o=-1.9,f=-7.4!) USER MOD Single : A 48 LYS NZ :NH3+ -140:sc= -2.59! (180deg=-5.22!) USER MOD Single : A 49 GLN : amide:sc= -1.38 K(o=-1.4,f=0.75) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.0399 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -3.58! K(o=-3.6!,f=-0.75) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ -135:sc= -1.18 (180deg=-3.19!) USER MOD Single : A 65 SER OG : rot -93:sc= 0.39 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc=-0.00736 X(o=-0.0074,f=-0.27) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 75.058 -15.563 8.918 1.00 0.00 N ATOM 2 CA MET A 1 74.639 -15.867 7.521 1.00 0.00 C ATOM 3 C MET A 1 74.982 -14.684 6.621 1.00 0.00 C ATOM 4 O MET A 1 74.690 -13.535 6.952 1.00 0.00 O ATOM 5 CB MET A 1 73.132 -16.126 7.488 1.00 0.00 C ATOM 6 CG MET A 1 72.822 -17.429 8.230 1.00 0.00 C ATOM 7 SD MET A 1 71.446 -17.159 9.374 1.00 0.00 S ATOM 8 CE MET A 1 70.137 -17.037 8.130 1.00 0.00 C ATOM 0 H1 MET A 1 75.196 -16.452 9.440 1.00 0.00 H new ATOM 0 H2 MET A 1 75.950 -15.028 8.904 1.00 0.00 H new ATOM 0 H3 MET A 1 74.322 -14.997 9.386 1.00 0.00 H new ATOM 0 HA MET A 1 75.163 -16.753 7.164 1.00 0.00 H new ATOM 0 HB2 MET A 1 72.599 -15.296 7.951 1.00 0.00 H new ATOM 0 HB3 MET A 1 72.786 -16.191 6.456 1.00 0.00 H new ATOM 0 HG2 MET A 1 72.568 -18.214 7.518 1.00 0.00 H new ATOM 0 HG3 MET A 1 73.702 -17.767 8.777 1.00 0.00 H new ATOM 0 HE1 MET A 1 69.166 -17.009 8.625 1.00 0.00 H new ATOM 0 HE2 MET A 1 70.273 -16.126 7.547 1.00 0.00 H new ATOM 0 HE3 MET A 1 70.182 -17.902 7.468 1.00 0.00 H new ATOM 20 N GLN A 2 75.602 -14.973 5.482 1.00 0.00 N ATOM 21 CA GLN A 2 75.977 -13.925 4.540 1.00 0.00 C ATOM 22 C GLN A 2 74.925 -13.783 3.450 1.00 0.00 C ATOM 23 O GLN A 2 74.091 -14.655 3.273 1.00 0.00 O ATOM 24 CB GLN A 2 77.333 -14.251 3.907 1.00 0.00 C ATOM 25 CG GLN A 2 78.444 -13.561 4.700 1.00 0.00 C ATOM 26 CD GLN A 2 79.800 -14.145 4.318 1.00 0.00 C ATOM 27 OE1 GLN A 2 80.343 -14.980 5.042 1.00 0.00 O ATOM 28 NE2 GLN A 2 80.385 -13.750 3.221 1.00 0.00 N ATOM 0 H GLN A 2 75.854 -15.917 5.190 1.00 0.00 H new ATOM 0 HA GLN A 2 76.048 -12.983 5.084 1.00 0.00 H new ATOM 0 HB2 GLN A 2 77.493 -15.329 3.899 1.00 0.00 H new ATOM 0 HB3 GLN A 2 77.352 -13.918 2.869 1.00 0.00 H new ATOM 0 HG2 GLN A 2 78.432 -12.489 4.501 1.00 0.00 H new ATOM 0 HG3 GLN A 2 78.272 -13.689 5.769 1.00 0.00 H new ATOM 0 HE21 GLN A 2 79.933 -13.058 2.623 1.00 0.00 H new ATOM 0 HE22 GLN A 2 81.294 -14.133 2.961 1.00 0.00 H new ATOM 37 N ILE A 3 74.974 -12.674 2.731 1.00 0.00 N ATOM 38 CA ILE A 3 74.022 -12.414 1.650 1.00 0.00 C ATOM 39 C ILE A 3 74.692 -11.543 0.589 1.00 0.00 C ATOM 40 O ILE A 3 75.817 -11.083 0.788 1.00 0.00 O ATOM 41 CB ILE A 3 72.788 -11.695 2.191 1.00 0.00 C ATOM 42 CG1 ILE A 3 73.224 -10.574 3.133 1.00 0.00 C ATOM 43 CG2 ILE A 3 71.908 -12.685 2.953 1.00 0.00 C ATOM 44 CD1 ILE A 3 72.129 -9.510 3.187 1.00 0.00 C ATOM 0 H ILE A 3 75.662 -11.935 2.872 1.00 0.00 H new ATOM 0 HA ILE A 3 73.713 -13.363 1.212 1.00 0.00 H new ATOM 0 HB ILE A 3 72.223 -11.274 1.359 1.00 0.00 H new ATOM 0 HG12 ILE A 3 73.410 -10.972 4.130 1.00 0.00 H new ATOM 0 HG13 ILE A 3 74.159 -10.134 2.786 1.00 0.00 H new ATOM 0 HG21 ILE A 3 71.028 -12.169 3.338 1.00 0.00 H new ATOM 0 HG22 ILE A 3 71.595 -13.485 2.282 1.00 0.00 H new ATOM 0 HG23 ILE A 3 72.472 -13.109 3.784 1.00 0.00 H new ATOM 0 HD11 ILE A 3 72.435 -8.707 3.858 1.00 0.00 H new ATOM 0 HD12 ILE A 3 71.965 -9.106 2.188 1.00 0.00 H new ATOM 0 HD13 ILE A 3 71.205 -9.957 3.553 1.00 0.00 H new ATOM 56 N PHE A 4 74.006 -11.318 -0.528 1.00 0.00 N ATOM 57 CA PHE A 4 74.561 -10.494 -1.603 1.00 0.00 C ATOM 58 C PHE A 4 73.619 -9.343 -1.954 1.00 0.00 C ATOM 59 O PHE A 4 72.412 -9.541 -2.095 1.00 0.00 O ATOM 60 CB PHE A 4 74.796 -11.352 -2.848 1.00 0.00 C ATOM 61 CG PHE A 4 75.963 -12.282 -2.612 1.00 0.00 C ATOM 62 CD1 PHE A 4 77.269 -11.777 -2.592 1.00 0.00 C ATOM 63 CD2 PHE A 4 75.738 -13.649 -2.411 1.00 0.00 C ATOM 64 CE1 PHE A 4 78.350 -12.641 -2.373 1.00 0.00 C ATOM 65 CE2 PHE A 4 76.819 -14.513 -2.193 1.00 0.00 C ATOM 66 CZ PHE A 4 78.123 -14.008 -2.174 1.00 0.00 C ATOM 0 H PHE A 4 73.074 -11.689 -0.714 1.00 0.00 H new ATOM 0 HA PHE A 4 75.507 -10.078 -1.256 1.00 0.00 H new ATOM 0 HB2 PHE A 4 73.900 -11.928 -3.079 1.00 0.00 H new ATOM 0 HB3 PHE A 4 74.995 -10.714 -3.709 1.00 0.00 H new ATOM 0 HD1 PHE A 4 77.443 -10.722 -2.745 1.00 0.00 H new ATOM 0 HD2 PHE A 4 74.730 -14.038 -2.424 1.00 0.00 H new ATOM 0 HE1 PHE A 4 79.358 -12.253 -2.358 1.00 0.00 H new ATOM 0 HE2 PHE A 4 76.646 -15.568 -2.040 1.00 0.00 H new ATOM 0 HZ PHE A 4 78.956 -14.674 -2.005 1.00 0.00 H new ATOM 76 N VAL A 5 74.182 -8.143 -2.108 1.00 0.00 N ATOM 77 CA VAL A 5 73.390 -6.965 -2.460 1.00 0.00 C ATOM 78 C VAL A 5 73.913 -6.349 -3.752 1.00 0.00 C ATOM 79 O VAL A 5 75.038 -5.854 -3.801 1.00 0.00 O ATOM 80 CB VAL A 5 73.456 -5.920 -1.339 1.00 0.00 C ATOM 81 CG1 VAL A 5 72.644 -4.684 -1.742 1.00 0.00 C ATOM 82 CG2 VAL A 5 72.873 -6.515 -0.055 1.00 0.00 C ATOM 0 H VAL A 5 75.180 -7.962 -1.995 1.00 0.00 H new ATOM 0 HA VAL A 5 72.355 -7.277 -2.598 1.00 0.00 H new ATOM 0 HB VAL A 5 74.494 -5.633 -1.171 1.00 0.00 H new ATOM 0 HG11 VAL A 5 72.691 -3.942 -0.945 1.00 0.00 H new ATOM 0 HG12 VAL A 5 73.057 -4.260 -2.657 1.00 0.00 H new ATOM 0 HG13 VAL A 5 71.606 -4.970 -1.910 1.00 0.00 H new ATOM 0 HG21 VAL A 5 72.919 -5.774 0.743 1.00 0.00 H new ATOM 0 HG22 VAL A 5 71.835 -6.801 -0.225 1.00 0.00 H new ATOM 0 HG23 VAL A 5 73.449 -7.394 0.233 1.00 0.00 H new ATOM 92 N LYS A 6 73.097 -6.387 -4.798 1.00 0.00 N ATOM 93 CA LYS A 6 73.497 -5.833 -6.087 1.00 0.00 C ATOM 94 C LYS A 6 72.938 -4.426 -6.271 1.00 0.00 C ATOM 95 O LYS A 6 71.746 -4.190 -6.078 1.00 0.00 O ATOM 96 CB LYS A 6 72.998 -6.737 -7.215 1.00 0.00 C ATOM 97 CG LYS A 6 74.176 -7.503 -7.824 1.00 0.00 C ATOM 98 CD LYS A 6 73.650 -8.676 -8.647 1.00 0.00 C ATOM 99 CE LYS A 6 72.586 -8.181 -9.629 1.00 0.00 C ATOM 100 NZ LYS A 6 71.280 -8.047 -8.926 1.00 0.00 N ATOM 0 H LYS A 6 72.161 -6.792 -4.781 1.00 0.00 H new ATOM 0 HA LYS A 6 74.585 -5.779 -6.115 1.00 0.00 H new ATOM 0 HB2 LYS A 6 72.256 -7.437 -6.831 1.00 0.00 H new ATOM 0 HB3 LYS A 6 72.505 -6.139 -7.982 1.00 0.00 H new ATOM 0 HG2 LYS A 6 74.768 -6.839 -8.454 1.00 0.00 H new ATOM 0 HG3 LYS A 6 74.835 -7.865 -7.035 1.00 0.00 H new ATOM 0 HD2 LYS A 6 74.469 -9.148 -9.190 1.00 0.00 H new ATOM 0 HD3 LYS A 6 73.226 -9.434 -7.988 1.00 0.00 H new ATOM 0 HE2 LYS A 6 72.884 -7.221 -10.050 1.00 0.00 H new ATOM 0 HE3 LYS A 6 72.492 -8.879 -10.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 70.523 -8.441 -9.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 71.316 -8.565 -8.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 71.087 -7.042 -8.740 1.00 0.00 H new ATOM 114 N THR A 7 73.811 -3.496 -6.647 1.00 0.00 N ATOM 115 CA THR A 7 73.401 -2.111 -6.858 1.00 0.00 C ATOM 116 C THR A 7 73.321 -1.800 -8.348 1.00 0.00 C ATOM 117 O THR A 7 73.607 -2.654 -9.188 1.00 0.00 O ATOM 118 CB THR A 7 74.400 -1.160 -6.191 1.00 0.00 C ATOM 119 OG1 THR A 7 75.475 -0.909 -7.083 1.00 0.00 O ATOM 120 CG2 THR A 7 74.938 -1.793 -4.906 1.00 0.00 C ATOM 0 H THR A 7 74.802 -3.675 -6.811 1.00 0.00 H new ATOM 0 HA THR A 7 72.416 -1.972 -6.413 1.00 0.00 H new ATOM 0 HB THR A 7 73.900 -0.223 -5.946 1.00 0.00 H new ATOM 0 HG1 THR A 7 76.099 -0.275 -6.673 1.00 0.00 H new ATOM 0 HG21 THR A 7 75.648 -1.113 -4.435 1.00 0.00 H new ATOM 0 HG22 THR A 7 74.112 -1.986 -4.222 1.00 0.00 H new ATOM 0 HG23 THR A 7 75.438 -2.732 -5.145 1.00 0.00 H new ATOM 128 N LEU A 8 72.931 -0.571 -8.670 1.00 0.00 N ATOM 129 CA LEU A 8 72.817 -0.154 -10.062 1.00 0.00 C ATOM 130 C LEU A 8 74.173 -0.223 -10.755 1.00 0.00 C ATOM 131 O LEU A 8 74.251 -0.318 -11.980 1.00 0.00 O ATOM 132 CB LEU A 8 72.284 1.279 -10.126 1.00 0.00 C ATOM 133 CG LEU A 8 70.764 1.286 -9.920 1.00 0.00 C ATOM 134 CD1 LEU A 8 70.055 0.669 -11.132 1.00 0.00 C ATOM 135 CD2 LEU A 8 70.413 0.477 -8.668 1.00 0.00 C ATOM 0 H LEU A 8 72.690 0.150 -7.990 1.00 0.00 H new ATOM 0 HA LEU A 8 72.128 -0.827 -10.572 1.00 0.00 H new ATOM 0 HB2 LEU A 8 72.765 1.889 -9.361 1.00 0.00 H new ATOM 0 HB3 LEU A 8 72.530 1.724 -11.090 1.00 0.00 H new ATOM 0 HG LEU A 8 70.434 2.318 -9.802 1.00 0.00 H new ATOM 0 HD11 LEU A 8 68.977 0.682 -10.969 1.00 0.00 H new ATOM 0 HD12 LEU A 8 70.294 1.246 -12.026 1.00 0.00 H new ATOM 0 HD13 LEU A 8 70.389 -0.360 -11.264 1.00 0.00 H new ATOM 0 HD21 LEU A 8 69.333 0.482 -8.522 1.00 0.00 H new ATOM 0 HD22 LEU A 8 70.758 -0.550 -8.790 1.00 0.00 H new ATOM 0 HD23 LEU A 8 70.899 0.922 -7.799 1.00 0.00 H new ATOM 147 N THR A 9 75.238 -0.167 -9.964 1.00 0.00 N ATOM 148 CA THR A 9 76.588 -0.219 -10.511 1.00 0.00 C ATOM 149 C THR A 9 77.043 -1.664 -10.692 1.00 0.00 C ATOM 150 O THR A 9 78.194 -1.925 -11.039 1.00 0.00 O ATOM 151 CB THR A 9 77.554 0.512 -9.577 1.00 0.00 C ATOM 152 OG1 THR A 9 78.094 -0.411 -8.640 1.00 0.00 O ATOM 153 CG2 THR A 9 76.803 1.618 -8.833 1.00 0.00 C ATOM 0 H THR A 9 75.194 -0.086 -8.948 1.00 0.00 H new ATOM 0 HA THR A 9 76.584 0.268 -11.486 1.00 0.00 H new ATOM 0 HB THR A 9 78.363 0.952 -10.160 1.00 0.00 H new ATOM 0 HG1 THR A 9 77.382 -0.727 -8.045 1.00 0.00 H new ATOM 0 HG21 THR A 9 77.490 2.140 -8.167 1.00 0.00 H new ATOM 0 HG22 THR A 9 76.389 2.324 -9.553 1.00 0.00 H new ATOM 0 HG23 THR A 9 75.994 1.179 -8.249 1.00 0.00 H new ATOM 161 N GLY A 10 76.130 -2.601 -10.454 1.00 0.00 N ATOM 162 CA GLY A 10 76.448 -4.017 -10.593 1.00 0.00 C ATOM 163 C GLY A 10 77.388 -4.480 -9.485 1.00 0.00 C ATOM 164 O GLY A 10 77.792 -5.643 -9.447 1.00 0.00 O ATOM 0 H GLY A 10 75.171 -2.407 -10.166 1.00 0.00 H new ATOM 0 HA2 GLY A 10 75.530 -4.604 -10.564 1.00 0.00 H new ATOM 0 HA3 GLY A 10 76.910 -4.196 -11.564 1.00 0.00 H new ATOM 168 N LYS A 11 77.732 -3.565 -8.584 1.00 0.00 N ATOM 169 CA LYS A 11 78.626 -3.894 -7.479 1.00 0.00 C ATOM 170 C LYS A 11 77.906 -4.755 -6.447 1.00 0.00 C ATOM 171 O LYS A 11 76.975 -4.298 -5.784 1.00 0.00 O ATOM 172 CB LYS A 11 79.125 -2.610 -6.814 1.00 0.00 C ATOM 173 CG LYS A 11 80.201 -2.952 -5.780 1.00 0.00 C ATOM 174 CD LYS A 11 80.760 -1.662 -5.178 1.00 0.00 C ATOM 175 CE LYS A 11 81.698 -2.002 -4.018 1.00 0.00 C ATOM 176 NZ LYS A 11 80.962 -1.871 -2.729 1.00 0.00 N ATOM 0 H LYS A 11 77.409 -2.598 -8.596 1.00 0.00 H new ATOM 0 HA LYS A 11 79.474 -4.453 -7.875 1.00 0.00 H new ATOM 0 HB2 LYS A 11 79.531 -1.933 -7.566 1.00 0.00 H new ATOM 0 HB3 LYS A 11 78.296 -2.092 -6.333 1.00 0.00 H new ATOM 0 HG2 LYS A 11 79.779 -3.579 -4.995 1.00 0.00 H new ATOM 0 HG3 LYS A 11 81.002 -3.524 -6.249 1.00 0.00 H new ATOM 0 HD2 LYS A 11 81.297 -1.096 -5.939 1.00 0.00 H new ATOM 0 HD3 LYS A 11 79.945 -1.030 -4.827 1.00 0.00 H new ATOM 0 HE2 LYS A 11 82.079 -3.017 -4.130 1.00 0.00 H new ATOM 0 HE3 LYS A 11 82.560 -1.335 -4.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 81.616 -2.036 -1.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 80.561 -0.914 -2.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 80.194 -2.572 -2.695 1.00 0.00 H new ATOM 190 N THR A 12 78.344 -6.004 -6.314 1.00 0.00 N ATOM 191 CA THR A 12 77.732 -6.918 -5.357 1.00 0.00 C ATOM 192 C THR A 12 78.420 -6.811 -3.998 1.00 0.00 C ATOM 193 O THR A 12 79.587 -7.176 -3.854 1.00 0.00 O ATOM 194 CB THR A 12 77.834 -8.356 -5.871 1.00 0.00 C ATOM 195 OG1 THR A 12 77.459 -8.394 -7.240 1.00 0.00 O ATOM 196 CG2 THR A 12 76.903 -9.258 -5.058 1.00 0.00 C ATOM 0 H THR A 12 79.113 -6.403 -6.852 1.00 0.00 H new ATOM 0 HA THR A 12 76.683 -6.646 -5.243 1.00 0.00 H new ATOM 0 HB THR A 12 78.860 -8.709 -5.765 1.00 0.00 H new ATOM 0 HG1 THR A 12 77.525 -9.314 -7.572 1.00 0.00 H new ATOM 0 HG21 THR A 12 76.976 -10.282 -5.425 1.00 0.00 H new ATOM 0 HG22 THR A 12 77.193 -9.227 -4.008 1.00 0.00 H new ATOM 0 HG23 THR A 12 75.876 -8.908 -5.162 1.00 0.00 H new ATOM 204 N ILE A 13 77.690 -6.312 -3.003 1.00 0.00 N ATOM 205 CA ILE A 13 78.249 -6.169 -1.662 1.00 0.00 C ATOM 206 C ILE A 13 77.871 -7.365 -0.794 1.00 0.00 C ATOM 207 O ILE A 13 76.690 -7.658 -0.607 1.00 0.00 O ATOM 208 CB ILE A 13 77.736 -4.889 -0.994 1.00 0.00 C ATOM 209 CG1 ILE A 13 77.081 -3.982 -2.039 1.00 0.00 C ATOM 210 CG2 ILE A 13 78.904 -4.150 -0.331 1.00 0.00 C ATOM 211 CD1 ILE A 13 76.856 -2.590 -1.445 1.00 0.00 C ATOM 0 H ILE A 13 76.722 -6.004 -3.098 1.00 0.00 H new ATOM 0 HA ILE A 13 79.333 -6.117 -1.759 1.00 0.00 H new ATOM 0 HB ILE A 13 76.998 -5.153 -0.237 1.00 0.00 H new ATOM 0 HG12 ILE A 13 77.715 -3.913 -2.923 1.00 0.00 H new ATOM 0 HG13 ILE A 13 76.131 -4.409 -2.361 1.00 0.00 H new ATOM 0 HG21 ILE A 13 78.537 -3.240 0.143 1.00 0.00 H new ATOM 0 HG22 ILE A 13 79.361 -4.793 0.422 1.00 0.00 H new ATOM 0 HG23 ILE A 13 79.646 -3.891 -1.086 1.00 0.00 H new ATOM 0 HD11 ILE A 13 76.390 -1.947 -2.191 1.00 0.00 H new ATOM 0 HD12 ILE A 13 76.205 -2.667 -0.574 1.00 0.00 H new ATOM 0 HD13 ILE A 13 77.813 -2.163 -1.145 1.00 0.00 H new ATOM 223 N THR A 14 78.880 -8.040 -0.256 1.00 0.00 N ATOM 224 CA THR A 14 78.640 -9.192 0.605 1.00 0.00 C ATOM 225 C THR A 14 78.844 -8.799 2.064 1.00 0.00 C ATOM 226 O THR A 14 79.868 -8.215 2.418 1.00 0.00 O ATOM 227 CB THR A 14 79.600 -10.327 0.240 1.00 0.00 C ATOM 228 OG1 THR A 14 79.853 -10.298 -1.156 1.00 0.00 O ATOM 229 CG2 THR A 14 78.976 -11.670 0.623 1.00 0.00 C ATOM 0 H THR A 14 79.864 -7.812 -0.399 1.00 0.00 H new ATOM 0 HA THR A 14 77.614 -9.532 0.463 1.00 0.00 H new ATOM 0 HB THR A 14 80.537 -10.200 0.781 1.00 0.00 H new ATOM 0 HG1 THR A 14 79.112 -10.728 -1.632 1.00 0.00 H new ATOM 0 HG21 THR A 14 79.661 -12.477 0.362 1.00 0.00 H new ATOM 0 HG22 THR A 14 78.784 -11.689 1.696 1.00 0.00 H new ATOM 0 HG23 THR A 14 78.038 -11.802 0.084 1.00 0.00 H new ATOM 237 N LEU A 15 77.866 -9.114 2.903 1.00 0.00 N ATOM 238 CA LEU A 15 77.954 -8.773 4.320 1.00 0.00 C ATOM 239 C LEU A 15 77.420 -9.912 5.179 1.00 0.00 C ATOM 240 O LEU A 15 76.679 -10.768 4.699 1.00 0.00 O ATOM 241 CB LEU A 15 77.137 -7.506 4.630 1.00 0.00 C ATOM 242 CG LEU A 15 77.056 -6.578 3.408 1.00 0.00 C ATOM 243 CD1 LEU A 15 76.079 -5.440 3.709 1.00 0.00 C ATOM 244 CD2 LEU A 15 78.437 -5.985 3.110 1.00 0.00 C ATOM 0 H LEU A 15 77.011 -9.600 2.633 1.00 0.00 H new ATOM 0 HA LEU A 15 79.005 -8.597 4.549 1.00 0.00 H new ATOM 0 HB2 LEU A 15 76.131 -7.787 4.942 1.00 0.00 H new ATOM 0 HB3 LEU A 15 77.593 -6.973 5.464 1.00 0.00 H new ATOM 0 HG LEU A 15 76.714 -7.149 2.544 1.00 0.00 H new ATOM 0 HD11 LEU A 15 76.016 -4.777 2.846 1.00 0.00 H new ATOM 0 HD12 LEU A 15 75.093 -5.854 3.922 1.00 0.00 H new ATOM 0 HD13 LEU A 15 76.431 -4.878 4.574 1.00 0.00 H new ATOM 0 HD21 LEU A 15 78.372 -5.328 2.242 1.00 0.00 H new ATOM 0 HD22 LEU A 15 78.782 -5.414 3.972 1.00 0.00 H new ATOM 0 HD23 LEU A 15 79.142 -6.790 2.903 1.00 0.00 H new ATOM 256 N GLU A 16 77.781 -9.900 6.459 1.00 0.00 N ATOM 257 CA GLU A 16 77.310 -10.922 7.386 1.00 0.00 C ATOM 258 C GLU A 16 76.077 -10.400 8.111 1.00 0.00 C ATOM 259 O GLU A 16 76.110 -9.321 8.703 1.00 0.00 O ATOM 260 CB GLU A 16 78.402 -11.270 8.399 1.00 0.00 C ATOM 261 CG GLU A 16 78.177 -12.689 8.922 1.00 0.00 C ATOM 262 CD GLU A 16 79.212 -13.028 9.987 1.00 0.00 C ATOM 263 OE1 GLU A 16 78.965 -12.726 11.143 1.00 0.00 O ATOM 264 OE2 GLU A 16 80.231 -13.598 9.635 1.00 0.00 O ATOM 0 H GLU A 16 78.394 -9.199 6.875 1.00 0.00 H new ATOM 0 HA GLU A 16 77.059 -11.825 6.830 1.00 0.00 H new ATOM 0 HB2 GLU A 16 79.384 -11.194 7.932 1.00 0.00 H new ATOM 0 HB3 GLU A 16 78.386 -10.559 9.225 1.00 0.00 H new ATOM 0 HG2 GLU A 16 77.174 -12.776 9.339 1.00 0.00 H new ATOM 0 HG3 GLU A 16 78.243 -13.402 8.100 1.00 0.00 H new ATOM 271 N VAL A 17 74.981 -11.152 8.040 1.00 0.00 N ATOM 272 CA VAL A 17 73.741 -10.718 8.671 1.00 0.00 C ATOM 273 C VAL A 17 73.029 -11.872 9.379 1.00 0.00 C ATOM 274 O VAL A 17 73.199 -13.038 9.024 1.00 0.00 O ATOM 275 CB VAL A 17 72.819 -10.124 7.604 1.00 0.00 C ATOM 276 CG1 VAL A 17 73.610 -9.161 6.719 1.00 0.00 C ATOM 277 CG2 VAL A 17 72.240 -11.247 6.740 1.00 0.00 C ATOM 0 H VAL A 17 74.927 -12.050 7.560 1.00 0.00 H new ATOM 0 HA VAL A 17 73.986 -9.969 9.424 1.00 0.00 H new ATOM 0 HB VAL A 17 72.007 -9.586 8.092 1.00 0.00 H new ATOM 0 HG11 VAL A 17 72.951 -8.740 5.960 1.00 0.00 H new ATOM 0 HG12 VAL A 17 74.019 -8.357 7.331 1.00 0.00 H new ATOM 0 HG13 VAL A 17 74.425 -9.699 6.234 1.00 0.00 H new ATOM 0 HG21 VAL A 17 71.584 -10.821 5.981 1.00 0.00 H new ATOM 0 HG22 VAL A 17 73.052 -11.788 6.255 1.00 0.00 H new ATOM 0 HG23 VAL A 17 71.671 -11.933 7.368 1.00 0.00 H new ATOM 287 N GLU A 18 72.219 -11.521 10.377 1.00 0.00 N ATOM 288 CA GLU A 18 71.458 -12.507 11.141 1.00 0.00 C ATOM 289 C GLU A 18 69.962 -12.311 10.864 1.00 0.00 C ATOM 290 O GLU A 18 69.597 -11.480 10.044 1.00 0.00 O ATOM 291 CB GLU A 18 71.751 -12.342 12.640 1.00 0.00 C ATOM 292 CG GLU A 18 73.077 -11.597 12.843 1.00 0.00 C ATOM 293 CD GLU A 18 74.181 -12.224 11.995 1.00 0.00 C ATOM 294 OE1 GLU A 18 74.858 -11.478 11.307 1.00 0.00 O ATOM 295 OE2 GLU A 18 74.328 -13.434 12.040 1.00 0.00 O ATOM 0 H GLU A 18 72.073 -10.557 10.676 1.00 0.00 H new ATOM 0 HA GLU A 18 71.750 -13.513 10.840 1.00 0.00 H new ATOM 0 HB2 GLU A 18 70.940 -11.792 13.118 1.00 0.00 H new ATOM 0 HB3 GLU A 18 71.798 -13.320 13.118 1.00 0.00 H new ATOM 0 HG2 GLU A 18 72.956 -10.548 12.574 1.00 0.00 H new ATOM 0 HG3 GLU A 18 73.359 -11.625 13.896 1.00 0.00 H new ATOM 302 N PRO A 19 69.090 -13.045 11.506 1.00 0.00 N ATOM 303 CA PRO A 19 67.629 -12.900 11.277 1.00 0.00 C ATOM 304 C PRO A 19 67.026 -11.721 12.051 1.00 0.00 C ATOM 305 O PRO A 19 65.808 -11.562 12.089 1.00 0.00 O ATOM 306 CB PRO A 19 67.039 -14.230 11.753 1.00 0.00 C ATOM 307 CG PRO A 19 68.106 -14.930 12.547 1.00 0.00 C ATOM 308 CD PRO A 19 69.380 -14.081 12.499 1.00 0.00 C ATOM 0 HA PRO A 19 67.408 -12.687 10.231 1.00 0.00 H new ATOM 0 HB2 PRO A 19 66.153 -14.061 12.365 1.00 0.00 H new ATOM 0 HB3 PRO A 19 66.729 -14.839 10.904 1.00 0.00 H new ATOM 0 HG2 PRO A 19 67.782 -15.069 13.578 1.00 0.00 H new ATOM 0 HG3 PRO A 19 68.295 -15.922 12.136 1.00 0.00 H new ATOM 0 HD2 PRO A 19 69.605 -13.646 13.473 1.00 0.00 H new ATOM 0 HD3 PRO A 19 70.245 -14.678 12.209 1.00 0.00 H new ATOM 316 N SER A 20 67.887 -10.892 12.647 1.00 0.00 N ATOM 317 CA SER A 20 67.427 -9.713 13.395 1.00 0.00 C ATOM 318 C SER A 20 67.986 -8.457 12.731 1.00 0.00 C ATOM 319 O SER A 20 67.830 -7.333 13.208 1.00 0.00 O ATOM 320 CB SER A 20 67.888 -9.788 14.851 1.00 0.00 C ATOM 321 OG SER A 20 69.287 -10.037 14.888 1.00 0.00 O ATOM 0 H SER A 20 68.900 -11.012 12.628 1.00 0.00 H new ATOM 0 HA SER A 20 66.337 -9.681 13.386 1.00 0.00 H new ATOM 0 HB2 SER A 20 67.659 -8.855 15.366 1.00 0.00 H new ATOM 0 HB3 SER A 20 67.352 -10.580 15.374 1.00 0.00 H new ATOM 0 HG SER A 20 69.586 -10.084 15.820 1.00 0.00 H new ATOM 327 N ASP A 21 68.616 -8.712 11.606 1.00 0.00 N ATOM 328 CA ASP A 21 69.228 -7.711 10.739 1.00 0.00 C ATOM 329 C ASP A 21 68.163 -7.078 9.877 1.00 0.00 C ATOM 330 O ASP A 21 68.249 -7.077 8.648 1.00 0.00 O ATOM 331 CB ASP A 21 70.317 -8.312 9.882 1.00 0.00 C ATOM 332 CG ASP A 21 71.624 -8.377 10.661 1.00 0.00 C ATOM 333 OD1 ASP A 21 71.592 -8.807 11.802 1.00 0.00 O ATOM 334 OD2 ASP A 21 72.640 -7.989 10.107 1.00 0.00 O ATOM 0 H ASP A 21 68.724 -9.661 11.249 1.00 0.00 H new ATOM 0 HA ASP A 21 69.692 -6.948 11.364 1.00 0.00 H new ATOM 0 HB2 ASP A 21 70.027 -9.312 9.561 1.00 0.00 H new ATOM 0 HB3 ASP A 21 70.452 -7.714 8.981 1.00 0.00 H new ATOM 339 N THR A 22 67.097 -6.673 10.519 1.00 0.00 N ATOM 340 CA THR A 22 65.935 -6.191 9.796 1.00 0.00 C ATOM 341 C THR A 22 66.247 -4.932 9.015 1.00 0.00 C ATOM 342 O THR A 22 67.070 -4.114 9.410 1.00 0.00 O ATOM 343 CB THR A 22 64.849 -5.811 10.805 1.00 0.00 C ATOM 344 OG1 THR A 22 64.888 -4.407 11.021 1.00 0.00 O ATOM 345 CG2 THR A 22 65.103 -6.527 12.125 1.00 0.00 C ATOM 0 H THR A 22 67.004 -6.665 11.535 1.00 0.00 H new ATOM 0 HA THR A 22 65.620 -6.983 9.116 1.00 0.00 H new ATOM 0 HB THR A 22 63.873 -6.102 10.417 1.00 0.00 H new ATOM 0 HG1 THR A 22 64.194 -4.156 11.665 1.00 0.00 H new ATOM 0 HG21 THR A 22 64.328 -6.255 12.842 1.00 0.00 H new ATOM 0 HG22 THR A 22 65.085 -7.605 11.964 1.00 0.00 H new ATOM 0 HG23 THR A 22 66.078 -6.235 12.516 1.00 0.00 H new ATOM 353 N ILE A 23 65.579 -4.845 7.866 1.00 0.00 N ATOM 354 CA ILE A 23 65.735 -3.746 6.922 1.00 0.00 C ATOM 355 C ILE A 23 66.241 -2.480 7.604 1.00 0.00 C ATOM 356 O ILE A 23 67.090 -1.771 7.064 1.00 0.00 O ATOM 357 CB ILE A 23 64.388 -3.482 6.256 1.00 0.00 C ATOM 358 CG1 ILE A 23 63.656 -4.815 6.003 1.00 0.00 C ATOM 359 CG2 ILE A 23 64.588 -2.745 4.933 1.00 0.00 C ATOM 360 CD1 ILE A 23 64.580 -5.827 5.303 1.00 0.00 C ATOM 0 H ILE A 23 64.905 -5.548 7.563 1.00 0.00 H new ATOM 0 HA ILE A 23 66.479 -4.028 6.177 1.00 0.00 H new ATOM 0 HB ILE A 23 63.786 -2.861 6.919 1.00 0.00 H new ATOM 0 HG12 ILE A 23 63.309 -5.229 6.950 1.00 0.00 H new ATOM 0 HG13 ILE A 23 62.773 -4.638 5.389 1.00 0.00 H new ATOM 0 HG21 ILE A 23 63.619 -2.563 4.468 1.00 0.00 H new ATOM 0 HG22 ILE A 23 65.086 -1.793 5.118 1.00 0.00 H new ATOM 0 HG23 ILE A 23 65.201 -3.352 4.267 1.00 0.00 H new ATOM 0 HD11 ILE A 23 64.039 -6.759 5.136 1.00 0.00 H new ATOM 0 HD12 ILE A 23 64.906 -5.420 4.346 1.00 0.00 H new ATOM 0 HD13 ILE A 23 65.450 -6.020 5.931 1.00 0.00 H new ATOM 372 N GLU A 24 65.723 -2.202 8.794 1.00 0.00 N ATOM 373 CA GLU A 24 66.144 -1.022 9.536 1.00 0.00 C ATOM 374 C GLU A 24 67.626 -1.130 9.901 1.00 0.00 C ATOM 375 O GLU A 24 68.410 -0.220 9.633 1.00 0.00 O ATOM 376 CB GLU A 24 65.296 -0.883 10.803 1.00 0.00 C ATOM 377 CG GLU A 24 65.806 0.295 11.633 1.00 0.00 C ATOM 378 CD GLU A 24 66.884 -0.179 12.602 1.00 0.00 C ATOM 379 OE1 GLU A 24 66.560 -0.966 13.478 1.00 0.00 O ATOM 380 OE2 GLU A 24 68.016 0.249 12.455 1.00 0.00 O ATOM 0 H GLU A 24 65.018 -2.772 9.262 1.00 0.00 H new ATOM 0 HA GLU A 24 66.004 -0.138 8.914 1.00 0.00 H new ATOM 0 HB2 GLU A 24 64.250 -0.729 10.538 1.00 0.00 H new ATOM 0 HB3 GLU A 24 65.344 -1.801 11.388 1.00 0.00 H new ATOM 0 HG2 GLU A 24 66.209 1.066 10.976 1.00 0.00 H new ATOM 0 HG3 GLU A 24 64.981 0.746 12.185 1.00 0.00 H new ATOM 387 N ASN A 25 67.999 -2.257 10.500 1.00 0.00 N ATOM 388 CA ASN A 25 69.387 -2.497 10.883 1.00 0.00 C ATOM 389 C ASN A 25 70.254 -2.727 9.648 1.00 0.00 C ATOM 390 O ASN A 25 71.362 -2.197 9.548 1.00 0.00 O ATOM 391 CB ASN A 25 69.469 -3.730 11.788 1.00 0.00 C ATOM 392 CG ASN A 25 70.582 -3.551 12.817 1.00 0.00 C ATOM 393 OD1 ASN A 25 70.332 -3.077 13.925 1.00 0.00 O ATOM 394 ND2 ASN A 25 71.800 -3.905 12.515 1.00 0.00 N ATOM 0 H ASN A 25 67.360 -3.018 10.731 1.00 0.00 H new ATOM 0 HA ASN A 25 69.752 -1.619 11.416 1.00 0.00 H new ATOM 0 HB2 ASN A 25 68.516 -3.883 12.294 1.00 0.00 H new ATOM 0 HB3 ASN A 25 69.658 -4.620 11.187 1.00 0.00 H new ATOM 0 HD21 ASN A 25 72.549 -3.789 13.198 1.00 0.00 H new ATOM 0 HD22 ASN A 25 72.004 -4.298 11.596 1.00 0.00 H new ATOM 401 N ALA A 26 69.744 -3.524 8.713 1.00 0.00 N ATOM 402 CA ALA A 26 70.482 -3.827 7.491 1.00 0.00 C ATOM 403 C ALA A 26 70.802 -2.549 6.722 1.00 0.00 C ATOM 404 O ALA A 26 71.903 -2.390 6.194 1.00 0.00 O ATOM 405 CB ALA A 26 69.659 -4.761 6.602 1.00 0.00 C ATOM 0 H ALA A 26 68.828 -3.969 8.777 1.00 0.00 H new ATOM 0 HA ALA A 26 71.417 -4.314 7.769 1.00 0.00 H new ATOM 0 HB1 ALA A 26 70.217 -4.982 5.692 1.00 0.00 H new ATOM 0 HB2 ALA A 26 69.456 -5.688 7.138 1.00 0.00 H new ATOM 0 HB3 ALA A 26 68.717 -4.279 6.342 1.00 0.00 H new ATOM 411 N LYS A 27 69.834 -1.643 6.664 1.00 0.00 N ATOM 412 CA LYS A 27 70.019 -0.383 5.956 1.00 0.00 C ATOM 413 C LYS A 27 71.167 0.415 6.564 1.00 0.00 C ATOM 414 O LYS A 27 71.869 1.147 5.864 1.00 0.00 O ATOM 415 CB LYS A 27 68.730 0.439 6.023 1.00 0.00 C ATOM 416 CG LYS A 27 67.782 -0.002 4.907 1.00 0.00 C ATOM 417 CD LYS A 27 66.376 0.531 5.190 1.00 0.00 C ATOM 418 CE LYS A 27 65.572 0.570 3.891 1.00 0.00 C ATOM 419 NZ LYS A 27 66.219 1.511 2.934 1.00 0.00 N ATOM 0 H LYS A 27 68.917 -1.756 7.096 1.00 0.00 H new ATOM 0 HA LYS A 27 70.261 -0.602 4.916 1.00 0.00 H new ATOM 0 HB2 LYS A 27 68.252 0.306 6.994 1.00 0.00 H new ATOM 0 HB3 LYS A 27 68.958 1.500 5.922 1.00 0.00 H new ATOM 0 HG2 LYS A 27 68.137 0.370 3.946 1.00 0.00 H new ATOM 0 HG3 LYS A 27 67.763 -1.090 4.840 1.00 0.00 H new ATOM 0 HD2 LYS A 27 65.875 -0.104 5.921 1.00 0.00 H new ATOM 0 HD3 LYS A 27 66.435 1.529 5.623 1.00 0.00 H new ATOM 0 HE2 LYS A 27 65.516 -0.428 3.455 1.00 0.00 H new ATOM 0 HE3 LYS A 27 64.549 0.887 4.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 65.487 2.019 2.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 66.801 2.195 3.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 66.822 0.977 2.276 1.00 0.00 H new ATOM 433 N ALA A 28 71.353 0.271 7.873 1.00 0.00 N ATOM 434 CA ALA A 28 72.416 0.987 8.570 1.00 0.00 C ATOM 435 C ALA A 28 73.788 0.456 8.160 1.00 0.00 C ATOM 436 O ALA A 28 74.739 1.223 8.005 1.00 0.00 O ATOM 437 CB ALA A 28 72.240 0.831 10.082 1.00 0.00 C ATOM 0 H ALA A 28 70.785 -0.331 8.469 1.00 0.00 H new ATOM 0 HA ALA A 28 72.355 2.041 8.299 1.00 0.00 H new ATOM 0 HB1 ALA A 28 73.036 1.367 10.598 1.00 0.00 H new ATOM 0 HB2 ALA A 28 71.275 1.240 10.380 1.00 0.00 H new ATOM 0 HB3 ALA A 28 72.284 -0.226 10.346 1.00 0.00 H new ATOM 443 N LYS A 29 73.886 -0.859 7.993 1.00 0.00 N ATOM 444 CA LYS A 29 75.149 -1.481 7.608 1.00 0.00 C ATOM 445 C LYS A 29 75.603 -0.984 6.238 1.00 0.00 C ATOM 446 O LYS A 29 76.780 -0.684 6.036 1.00 0.00 O ATOM 447 CB LYS A 29 74.987 -3.000 7.574 1.00 0.00 C ATOM 448 CG LYS A 29 74.332 -3.468 8.875 1.00 0.00 C ATOM 449 CD LYS A 29 74.715 -4.923 9.161 1.00 0.00 C ATOM 450 CE LYS A 29 74.205 -5.829 8.038 1.00 0.00 C ATOM 451 NZ LYS A 29 75.352 -6.264 7.191 1.00 0.00 N ATOM 0 H LYS A 29 73.112 -1.511 8.117 1.00 0.00 H new ATOM 0 HA LYS A 29 75.905 -1.209 8.344 1.00 0.00 H new ATOM 0 HB2 LYS A 29 74.376 -3.293 6.720 1.00 0.00 H new ATOM 0 HB3 LYS A 29 75.959 -3.478 7.450 1.00 0.00 H new ATOM 0 HG2 LYS A 29 74.649 -2.831 9.701 1.00 0.00 H new ATOM 0 HG3 LYS A 29 73.248 -3.377 8.800 1.00 0.00 H new ATOM 0 HD2 LYS A 29 75.798 -5.012 9.248 1.00 0.00 H new ATOM 0 HD3 LYS A 29 74.292 -5.238 10.115 1.00 0.00 H new ATOM 0 HE2 LYS A 29 73.700 -6.698 8.459 1.00 0.00 H new ATOM 0 HE3 LYS A 29 73.472 -5.297 7.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 75.040 -6.353 6.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 76.115 -5.559 7.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 75.703 -7.183 7.528 1.00 0.00 H new ATOM 465 N ILE A 30 74.664 -0.900 5.302 1.00 0.00 N ATOM 466 CA ILE A 30 74.982 -0.440 3.956 1.00 0.00 C ATOM 467 C ILE A 30 75.400 1.027 3.978 1.00 0.00 C ATOM 468 O ILE A 30 76.289 1.440 3.233 1.00 0.00 O ATOM 469 CB ILE A 30 73.771 -0.624 3.040 1.00 0.00 C ATOM 470 CG1 ILE A 30 73.784 -2.050 2.486 1.00 0.00 C ATOM 471 CG2 ILE A 30 73.835 0.374 1.877 1.00 0.00 C ATOM 472 CD1 ILE A 30 72.393 -2.415 1.975 1.00 0.00 C ATOM 0 H ILE A 30 73.684 -1.142 5.449 1.00 0.00 H new ATOM 0 HA ILE A 30 75.813 -1.033 3.573 1.00 0.00 H new ATOM 0 HB ILE A 30 72.856 -0.449 3.606 1.00 0.00 H new ATOM 0 HG12 ILE A 30 74.511 -2.130 1.678 1.00 0.00 H new ATOM 0 HG13 ILE A 30 74.092 -2.750 3.263 1.00 0.00 H new ATOM 0 HG21 ILE A 30 72.969 0.235 1.230 1.00 0.00 H new ATOM 0 HG22 ILE A 30 73.836 1.391 2.270 1.00 0.00 H new ATOM 0 HG23 ILE A 30 74.746 0.206 1.303 1.00 0.00 H new ATOM 0 HD11 ILE A 30 72.405 -3.431 1.581 1.00 0.00 H new ATOM 0 HD12 ILE A 30 71.676 -2.352 2.794 1.00 0.00 H new ATOM 0 HD13 ILE A 30 72.103 -1.723 1.185 1.00 0.00 H new ATOM 484 N GLN A 31 74.750 1.812 4.832 1.00 0.00 N ATOM 485 CA GLN A 31 75.063 3.232 4.935 1.00 0.00 C ATOM 486 C GLN A 31 76.513 3.435 5.361 1.00 0.00 C ATOM 487 O GLN A 31 77.164 4.387 4.935 1.00 0.00 O ATOM 488 CB GLN A 31 74.133 3.907 5.945 1.00 0.00 C ATOM 489 CG GLN A 31 74.649 5.315 6.249 1.00 0.00 C ATOM 490 CD GLN A 31 75.567 5.285 7.464 1.00 0.00 C ATOM 491 OE1 GLN A 31 76.789 5.347 7.322 1.00 0.00 O ATOM 492 NE2 GLN A 31 75.049 5.208 8.659 1.00 0.00 N ATOM 0 H GLN A 31 74.010 1.492 5.457 1.00 0.00 H new ATOM 0 HA GLN A 31 74.918 3.684 3.954 1.00 0.00 H new ATOM 0 HB2 GLN A 31 73.120 3.957 5.546 1.00 0.00 H new ATOM 0 HB3 GLN A 31 74.086 3.319 6.862 1.00 0.00 H new ATOM 0 HG2 GLN A 31 75.187 5.708 5.386 1.00 0.00 H new ATOM 0 HG3 GLN A 31 73.810 5.986 6.434 1.00 0.00 H new ATOM 0 HE21 GLN A 31 74.037 5.157 8.774 1.00 0.00 H new ATOM 0 HE22 GLN A 31 75.656 5.199 9.478 1.00 0.00 H new ATOM 501 N ASP A 32 77.012 2.541 6.203 1.00 0.00 N ATOM 502 CA ASP A 32 78.387 2.639 6.677 1.00 0.00 C ATOM 503 C ASP A 32 79.367 2.216 5.586 1.00 0.00 C ATOM 504 O ASP A 32 80.562 2.498 5.669 1.00 0.00 O ATOM 505 CB ASP A 32 78.577 1.754 7.909 1.00 0.00 C ATOM 506 CG ASP A 32 79.929 1.050 7.844 1.00 0.00 C ATOM 507 OD1 ASP A 32 79.958 -0.097 7.428 1.00 0.00 O ATOM 508 OD2 ASP A 32 80.914 1.665 8.216 1.00 0.00 O ATOM 0 H ASP A 32 76.491 1.745 6.570 1.00 0.00 H new ATOM 0 HA ASP A 32 78.586 3.678 6.940 1.00 0.00 H new ATOM 0 HB2 ASP A 32 78.516 2.359 8.814 1.00 0.00 H new ATOM 0 HB3 ASP A 32 77.776 1.017 7.964 1.00 0.00 H new ATOM 513 N LYS A 33 78.855 1.527 4.571 1.00 0.00 N ATOM 514 CA LYS A 33 79.701 1.057 3.478 1.00 0.00 C ATOM 515 C LYS A 33 79.662 2.014 2.286 1.00 0.00 C ATOM 516 O LYS A 33 80.694 2.292 1.675 1.00 0.00 O ATOM 517 CB LYS A 33 79.238 -0.328 3.025 1.00 0.00 C ATOM 518 CG LYS A 33 79.566 -1.361 4.104 1.00 0.00 C ATOM 519 CD LYS A 33 80.704 -2.262 3.620 1.00 0.00 C ATOM 520 CE LYS A 33 81.028 -3.298 4.698 1.00 0.00 C ATOM 521 NZ LYS A 33 81.600 -2.612 5.892 1.00 0.00 N ATOM 0 H LYS A 33 77.869 1.283 4.482 1.00 0.00 H new ATOM 0 HA LYS A 33 80.725 1.010 3.847 1.00 0.00 H new ATOM 0 HB2 LYS A 33 78.165 -0.318 2.832 1.00 0.00 H new ATOM 0 HB3 LYS A 33 79.728 -0.598 2.089 1.00 0.00 H new ATOM 0 HG2 LYS A 33 79.854 -0.859 5.028 1.00 0.00 H new ATOM 0 HG3 LYS A 33 78.684 -1.961 4.328 1.00 0.00 H new ATOM 0 HD2 LYS A 33 80.418 -2.762 2.695 1.00 0.00 H new ATOM 0 HD3 LYS A 33 81.587 -1.663 3.399 1.00 0.00 H new ATOM 0 HE2 LYS A 33 80.126 -3.843 4.976 1.00 0.00 H new ATOM 0 HE3 LYS A 33 81.737 -4.030 4.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 82.109 -3.303 6.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 82.259 -1.869 5.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 80.832 -2.185 6.448 1.00 0.00 H new ATOM 535 N GLU A 34 78.469 2.497 1.948 1.00 0.00 N ATOM 536 CA GLU A 34 78.319 3.401 0.809 1.00 0.00 C ATOM 537 C GLU A 34 78.141 4.850 1.260 1.00 0.00 C ATOM 538 O GLU A 34 78.052 5.755 0.431 1.00 0.00 O ATOM 539 CB GLU A 34 77.114 2.976 -0.034 1.00 0.00 C ATOM 540 CG GLU A 34 77.287 1.522 -0.478 1.00 0.00 C ATOM 541 CD GLU A 34 78.382 1.429 -1.536 1.00 0.00 C ATOM 542 OE1 GLU A 34 79.148 0.481 -1.487 1.00 0.00 O ATOM 543 OE2 GLU A 34 78.437 2.309 -2.380 1.00 0.00 O ATOM 0 H GLU A 34 77.601 2.282 2.439 1.00 0.00 H new ATOM 0 HA GLU A 34 79.230 3.342 0.214 1.00 0.00 H new ATOM 0 HB2 GLU A 34 76.196 3.084 0.544 1.00 0.00 H new ATOM 0 HB3 GLU A 34 77.020 3.624 -0.905 1.00 0.00 H new ATOM 0 HG2 GLU A 34 77.543 0.899 0.379 1.00 0.00 H new ATOM 0 HG3 GLU A 34 76.348 1.141 -0.880 1.00 0.00 H new ATOM 550 N GLY A 35 78.092 5.068 2.569 1.00 0.00 N ATOM 551 CA GLY A 35 77.924 6.420 3.096 1.00 0.00 C ATOM 552 C GLY A 35 76.541 6.970 2.768 1.00 0.00 C ATOM 553 O GLY A 35 76.230 8.120 3.079 1.00 0.00 O ATOM 0 H GLY A 35 78.165 4.338 3.278 1.00 0.00 H new ATOM 0 HA2 GLY A 35 78.069 6.413 4.176 1.00 0.00 H new ATOM 0 HA3 GLY A 35 78.688 7.075 2.676 1.00 0.00 H new ATOM 557 N ILE A 36 75.711 6.142 2.139 1.00 0.00 N ATOM 558 CA ILE A 36 74.360 6.556 1.776 1.00 0.00 C ATOM 559 C ILE A 36 73.453 6.514 3.014 1.00 0.00 C ATOM 560 O ILE A 36 73.489 5.540 3.766 1.00 0.00 O ATOM 561 CB ILE A 36 73.811 5.614 0.691 1.00 0.00 C ATOM 562 CG1 ILE A 36 74.779 5.584 -0.495 1.00 0.00 C ATOM 563 CG2 ILE A 36 72.444 6.101 0.204 1.00 0.00 C ATOM 564 CD1 ILE A 36 74.389 4.450 -1.444 1.00 0.00 C ATOM 0 H ILE A 36 75.949 5.187 1.872 1.00 0.00 H new ATOM 0 HA ILE A 36 74.384 7.575 1.390 1.00 0.00 H new ATOM 0 HB ILE A 36 73.706 4.616 1.116 1.00 0.00 H new ATOM 0 HG12 ILE A 36 74.755 6.538 -1.022 1.00 0.00 H new ATOM 0 HG13 ILE A 36 75.800 5.441 -0.141 1.00 0.00 H new ATOM 0 HG21 ILE A 36 72.069 5.424 -0.563 1.00 0.00 H new ATOM 0 HG22 ILE A 36 71.746 6.123 1.041 1.00 0.00 H new ATOM 0 HG23 ILE A 36 72.542 7.103 -0.213 1.00 0.00 H new ATOM 0 HD11 ILE A 36 75.078 4.429 -2.288 1.00 0.00 H new ATOM 0 HD12 ILE A 36 74.436 3.499 -0.913 1.00 0.00 H new ATOM 0 HD13 ILE A 36 73.374 4.613 -1.808 1.00 0.00 H new ATOM 576 N PRO A 37 72.644 7.526 3.262 1.00 0.00 N ATOM 577 CA PRO A 37 71.749 7.536 4.456 1.00 0.00 C ATOM 578 C PRO A 37 70.647 6.475 4.345 1.00 0.00 C ATOM 579 O PRO A 37 70.245 6.112 3.241 1.00 0.00 O ATOM 580 CB PRO A 37 71.154 8.947 4.475 1.00 0.00 C ATOM 581 CG PRO A 37 71.289 9.463 3.084 1.00 0.00 C ATOM 582 CD PRO A 37 72.490 8.754 2.458 1.00 0.00 C ATOM 0 HA PRO A 37 72.289 7.299 5.372 1.00 0.00 H new ATOM 0 HB2 PRO A 37 70.109 8.927 4.785 1.00 0.00 H new ATOM 0 HB3 PRO A 37 71.684 9.585 5.182 1.00 0.00 H new ATOM 0 HG2 PRO A 37 70.383 9.266 2.510 1.00 0.00 H new ATOM 0 HG3 PRO A 37 71.437 10.543 3.086 1.00 0.00 H new ATOM 0 HD2 PRO A 37 72.313 8.523 1.408 1.00 0.00 H new ATOM 0 HD3 PRO A 37 73.386 9.374 2.502 1.00 0.00 H new ATOM 590 N PRO A 38 70.154 5.974 5.454 1.00 0.00 N ATOM 591 CA PRO A 38 69.082 4.935 5.449 1.00 0.00 C ATOM 592 C PRO A 38 67.744 5.482 4.957 1.00 0.00 C ATOM 593 O PRO A 38 66.873 4.726 4.529 1.00 0.00 O ATOM 594 CB PRO A 38 68.980 4.496 6.912 1.00 0.00 C ATOM 595 CG PRO A 38 69.544 5.621 7.714 1.00 0.00 C ATOM 596 CD PRO A 38 70.558 6.336 6.824 1.00 0.00 C ATOM 0 HA PRO A 38 69.322 4.117 4.770 1.00 0.00 H new ATOM 0 HB2 PRO A 38 67.945 4.298 7.190 1.00 0.00 H new ATOM 0 HB3 PRO A 38 69.537 3.575 7.084 1.00 0.00 H new ATOM 0 HG2 PRO A 38 68.755 6.305 8.027 1.00 0.00 H new ATOM 0 HG3 PRO A 38 70.021 5.248 8.620 1.00 0.00 H new ATOM 0 HD2 PRO A 38 70.530 7.415 6.976 1.00 0.00 H new ATOM 0 HD3 PRO A 38 71.576 6.010 7.038 1.00 0.00 H new ATOM 604 N ASP A 39 67.588 6.800 5.027 1.00 0.00 N ATOM 605 CA ASP A 39 66.351 7.440 4.595 1.00 0.00 C ATOM 606 C ASP A 39 66.208 7.396 3.073 1.00 0.00 C ATOM 607 O ASP A 39 65.097 7.326 2.549 1.00 0.00 O ATOM 608 CB ASP A 39 66.325 8.894 5.065 1.00 0.00 C ATOM 609 CG ASP A 39 66.407 8.953 6.587 1.00 0.00 C ATOM 610 OD1 ASP A 39 66.223 7.921 7.210 1.00 0.00 O ATOM 611 OD2 ASP A 39 66.650 10.030 7.106 1.00 0.00 O ATOM 0 H ASP A 39 68.299 7.443 5.377 1.00 0.00 H new ATOM 0 HA ASP A 39 65.518 6.894 5.037 1.00 0.00 H new ATOM 0 HB2 ASP A 39 67.159 9.441 4.626 1.00 0.00 H new ATOM 0 HB3 ASP A 39 65.411 9.379 4.723 1.00 0.00 H new ATOM 616 N GLN A 40 67.335 7.446 2.370 1.00 0.00 N ATOM 617 CA GLN A 40 67.310 7.421 0.910 1.00 0.00 C ATOM 618 C GLN A 40 67.625 6.025 0.380 1.00 0.00 C ATOM 619 O GLN A 40 67.829 5.841 -0.820 1.00 0.00 O ATOM 620 CB GLN A 40 68.330 8.417 0.354 1.00 0.00 C ATOM 621 CG GLN A 40 67.946 9.834 0.783 1.00 0.00 C ATOM 622 CD GLN A 40 69.160 10.752 0.697 1.00 0.00 C ATOM 623 OE1 GLN A 40 69.341 11.628 1.544 1.00 0.00 O ATOM 624 NE2 GLN A 40 70.011 10.603 -0.281 1.00 0.00 N ATOM 0 H GLN A 40 68.267 7.503 2.780 1.00 0.00 H new ATOM 0 HA GLN A 40 66.308 7.699 0.584 1.00 0.00 H new ATOM 0 HB2 GLN A 40 69.328 8.173 0.718 1.00 0.00 H new ATOM 0 HB3 GLN A 40 68.363 8.351 -0.734 1.00 0.00 H new ATOM 0 HG2 GLN A 40 67.148 10.212 0.144 1.00 0.00 H new ATOM 0 HG3 GLN A 40 67.560 9.822 1.802 1.00 0.00 H new ATOM 0 HE21 GLN A 40 69.860 9.877 -0.982 1.00 0.00 H new ATOM 0 HE22 GLN A 40 70.827 11.212 -0.344 1.00 0.00 H new ATOM 633 N GLN A 41 67.661 5.045 1.275 1.00 0.00 N ATOM 634 CA GLN A 41 67.953 3.673 0.873 1.00 0.00 C ATOM 635 C GLN A 41 66.674 2.940 0.483 1.00 0.00 C ATOM 636 O GLN A 41 65.650 3.053 1.158 1.00 0.00 O ATOM 637 CB GLN A 41 68.638 2.926 2.017 1.00 0.00 C ATOM 638 CG GLN A 41 70.149 3.146 1.939 1.00 0.00 C ATOM 639 CD GLN A 41 70.823 2.589 3.189 1.00 0.00 C ATOM 640 OE1 GLN A 41 70.237 1.773 3.900 1.00 0.00 O ATOM 641 NE2 GLN A 41 72.026 2.985 3.501 1.00 0.00 N ATOM 0 H GLN A 41 67.494 5.171 2.273 1.00 0.00 H new ATOM 0 HA GLN A 41 68.617 3.706 0.009 1.00 0.00 H new ATOM 0 HB2 GLN A 41 68.258 3.280 2.975 1.00 0.00 H new ATOM 0 HB3 GLN A 41 68.411 1.861 1.957 1.00 0.00 H new ATOM 0 HG2 GLN A 41 70.550 2.657 1.051 1.00 0.00 H new ATOM 0 HG3 GLN A 41 70.365 4.210 1.843 1.00 0.00 H new ATOM 0 HE21 GLN A 41 72.510 3.661 2.910 1.00 0.00 H new ATOM 0 HE22 GLN A 41 72.483 2.618 4.336 1.00 0.00 H new ATOM 650 N ARG A 42 66.745 2.184 -0.608 1.00 0.00 N ATOM 651 CA ARG A 42 65.595 1.427 -1.085 1.00 0.00 C ATOM 652 C ARG A 42 65.996 -0.010 -1.398 1.00 0.00 C ATOM 653 O ARG A 42 66.651 -0.274 -2.406 1.00 0.00 O ATOM 654 CB ARG A 42 65.022 2.073 -2.344 1.00 0.00 C ATOM 655 CG ARG A 42 63.534 2.359 -2.135 1.00 0.00 C ATOM 656 CD ARG A 42 62.920 2.876 -3.439 1.00 0.00 C ATOM 657 NE ARG A 42 61.765 2.064 -3.806 1.00 0.00 N ATOM 658 CZ ARG A 42 60.603 2.202 -3.179 1.00 0.00 C ATOM 659 NH1 ARG A 42 59.584 1.461 -3.523 1.00 0.00 N ATOM 660 NH2 ARG A 42 60.477 3.079 -2.220 1.00 0.00 N ATOM 0 H ARG A 42 67.585 2.080 -1.177 1.00 0.00 H new ATOM 0 HA ARG A 42 64.839 1.427 -0.300 1.00 0.00 H new ATOM 0 HB2 ARG A 42 65.554 2.998 -2.566 1.00 0.00 H new ATOM 0 HB3 ARG A 42 65.160 1.413 -3.200 1.00 0.00 H new ATOM 0 HG2 ARG A 42 63.021 1.452 -1.815 1.00 0.00 H new ATOM 0 HG3 ARG A 42 63.403 3.096 -1.343 1.00 0.00 H new ATOM 0 HD2 ARG A 42 62.620 3.917 -3.321 1.00 0.00 H new ATOM 0 HD3 ARG A 42 63.663 2.847 -4.236 1.00 0.00 H new ATOM 0 HE ARG A 42 61.852 1.379 -4.557 1.00 0.00 H new ATOM 0 HH11 ARG A 42 59.681 0.777 -4.273 1.00 0.00 H new ATOM 0 HH12 ARG A 42 58.691 1.567 -3.042 1.00 0.00 H new ATOM 0 HH21 ARG A 42 61.272 3.659 -1.952 1.00 0.00 H new ATOM 0 HH22 ARG A 42 59.584 3.184 -1.739 1.00 0.00 H new ATOM 674 N LEU A 43 65.600 -0.938 -0.533 1.00 0.00 N ATOM 675 CA LEU A 43 65.931 -2.343 -0.742 1.00 0.00 C ATOM 676 C LEU A 43 64.766 -3.071 -1.403 1.00 0.00 C ATOM 677 O LEU A 43 63.627 -2.986 -0.947 1.00 0.00 O ATOM 678 CB LEU A 43 66.272 -3.008 0.595 1.00 0.00 C ATOM 679 CG LEU A 43 67.794 -3.069 0.763 1.00 0.00 C ATOM 680 CD1 LEU A 43 68.136 -3.394 2.219 1.00 0.00 C ATOM 681 CD2 LEU A 43 68.377 -4.155 -0.148 1.00 0.00 C ATOM 0 H LEU A 43 65.057 -0.747 0.309 1.00 0.00 H new ATOM 0 HA LEU A 43 66.798 -2.401 -1.400 1.00 0.00 H new ATOM 0 HB2 LEU A 43 65.827 -2.446 1.416 1.00 0.00 H new ATOM 0 HB3 LEU A 43 65.851 -4.013 0.631 1.00 0.00 H new ATOM 0 HG LEU A 43 68.221 -2.103 0.492 1.00 0.00 H new ATOM 0 HD11 LEU A 43 69.219 -3.437 2.338 1.00 0.00 H new ATOM 0 HD12 LEU A 43 67.730 -2.619 2.870 1.00 0.00 H new ATOM 0 HD13 LEU A 43 67.703 -4.357 2.488 1.00 0.00 H new ATOM 0 HD21 LEU A 43 69.459 -4.192 -0.023 1.00 0.00 H new ATOM 0 HD22 LEU A 43 67.948 -5.121 0.117 1.00 0.00 H new ATOM 0 HD23 LEU A 43 68.139 -3.925 -1.187 1.00 0.00 H new ATOM 693 N ILE A 44 65.066 -3.780 -2.488 1.00 0.00 N ATOM 694 CA ILE A 44 64.045 -4.515 -3.223 1.00 0.00 C ATOM 695 C ILE A 44 64.500 -5.950 -3.479 1.00 0.00 C ATOM 696 O ILE A 44 65.650 -6.191 -3.846 1.00 0.00 O ATOM 697 CB ILE A 44 63.764 -3.806 -4.545 1.00 0.00 C ATOM 698 CG1 ILE A 44 63.498 -2.325 -4.241 1.00 0.00 C ATOM 699 CG2 ILE A 44 62.551 -4.448 -5.233 1.00 0.00 C ATOM 700 CD1 ILE A 44 62.488 -1.748 -5.228 1.00 0.00 C ATOM 0 H ILE A 44 66.006 -3.860 -2.876 1.00 0.00 H new ATOM 0 HA ILE A 44 63.131 -4.548 -2.629 1.00 0.00 H new ATOM 0 HB ILE A 44 64.616 -3.896 -5.219 1.00 0.00 H new ATOM 0 HG12 ILE A 44 63.122 -2.219 -3.223 1.00 0.00 H new ATOM 0 HG13 ILE A 44 64.431 -1.763 -4.296 1.00 0.00 H new ATOM 0 HG21 ILE A 44 62.355 -3.938 -6.176 1.00 0.00 H new ATOM 0 HG22 ILE A 44 62.757 -5.501 -5.426 1.00 0.00 H new ATOM 0 HG23 ILE A 44 61.678 -4.362 -4.586 1.00 0.00 H new ATOM 0 HD11 ILE A 44 62.312 -0.697 -4.996 1.00 0.00 H new ATOM 0 HD12 ILE A 44 62.879 -1.836 -6.242 1.00 0.00 H new ATOM 0 HD13 ILE A 44 61.550 -2.298 -5.152 1.00 0.00 H new ATOM 712 N PHE A 45 63.588 -6.898 -3.281 1.00 0.00 N ATOM 713 CA PHE A 45 63.904 -8.307 -3.492 1.00 0.00 C ATOM 714 C PHE A 45 62.749 -9.015 -4.192 1.00 0.00 C ATOM 715 O PHE A 45 61.629 -9.050 -3.684 1.00 0.00 O ATOM 716 CB PHE A 45 64.182 -8.984 -2.149 1.00 0.00 C ATOM 717 CG PHE A 45 64.387 -10.465 -2.363 1.00 0.00 C ATOM 718 CD1 PHE A 45 63.306 -11.346 -2.233 1.00 0.00 C ATOM 719 CD2 PHE A 45 65.656 -10.955 -2.688 1.00 0.00 C ATOM 720 CE1 PHE A 45 63.496 -12.719 -2.429 1.00 0.00 C ATOM 721 CE2 PHE A 45 65.847 -12.330 -2.884 1.00 0.00 C ATOM 722 CZ PHE A 45 64.766 -13.211 -2.755 1.00 0.00 C ATOM 0 H PHE A 45 62.631 -6.718 -2.977 1.00 0.00 H new ATOM 0 HA PHE A 45 64.791 -8.373 -4.123 1.00 0.00 H new ATOM 0 HB2 PHE A 45 65.067 -8.547 -1.686 1.00 0.00 H new ATOM 0 HB3 PHE A 45 63.349 -8.816 -1.466 1.00 0.00 H new ATOM 0 HD1 PHE A 45 62.327 -10.966 -1.982 1.00 0.00 H new ATOM 0 HD2 PHE A 45 66.489 -10.274 -2.788 1.00 0.00 H new ATOM 0 HE1 PHE A 45 62.663 -13.399 -2.329 1.00 0.00 H new ATOM 0 HE2 PHE A 45 66.827 -12.709 -3.134 1.00 0.00 H new ATOM 0 HZ PHE A 45 64.912 -14.270 -2.907 1.00 0.00 H new ATOM 732 N ALA A 46 63.030 -9.580 -5.362 1.00 0.00 N ATOM 733 CA ALA A 46 62.006 -10.288 -6.123 1.00 0.00 C ATOM 734 C ALA A 46 60.982 -9.306 -6.684 1.00 0.00 C ATOM 735 O ALA A 46 59.802 -9.632 -6.819 1.00 0.00 O ATOM 736 CB ALA A 46 61.299 -11.307 -5.229 1.00 0.00 C ATOM 0 H ALA A 46 63.950 -9.562 -5.801 1.00 0.00 H new ATOM 0 HA ALA A 46 62.490 -10.806 -6.951 1.00 0.00 H new ATOM 0 HB1 ALA A 46 60.537 -11.830 -5.806 1.00 0.00 H new ATOM 0 HB2 ALA A 46 62.026 -12.026 -4.852 1.00 0.00 H new ATOM 0 HB3 ALA A 46 60.830 -10.792 -4.391 1.00 0.00 H new ATOM 742 N GLY A 47 61.440 -8.101 -7.010 1.00 0.00 N ATOM 743 CA GLY A 47 60.556 -7.079 -7.555 1.00 0.00 C ATOM 744 C GLY A 47 59.674 -6.483 -6.464 1.00 0.00 C ATOM 745 O GLY A 47 58.899 -5.560 -6.714 1.00 0.00 O ATOM 0 H GLY A 47 62.412 -7.811 -6.907 1.00 0.00 H new ATOM 0 HA2 GLY A 47 61.148 -6.291 -8.020 1.00 0.00 H new ATOM 0 HA3 GLY A 47 59.932 -7.512 -8.337 1.00 0.00 H new ATOM 749 N LYS A 48 59.798 -7.016 -5.254 1.00 0.00 N ATOM 750 CA LYS A 48 59.009 -6.532 -4.129 1.00 0.00 C ATOM 751 C LYS A 48 59.858 -5.642 -3.226 1.00 0.00 C ATOM 752 O LYS A 48 61.023 -5.941 -2.961 1.00 0.00 O ATOM 753 CB LYS A 48 58.467 -7.719 -3.327 1.00 0.00 C ATOM 754 CG LYS A 48 58.168 -7.281 -1.892 1.00 0.00 C ATOM 755 CD LYS A 48 57.206 -8.279 -1.245 1.00 0.00 C ATOM 756 CE LYS A 48 57.805 -9.684 -1.313 1.00 0.00 C ATOM 757 NZ LYS A 48 57.540 -10.273 -2.656 1.00 0.00 N ATOM 0 H LYS A 48 60.435 -7.780 -5.028 1.00 0.00 H new ATOM 0 HA LYS A 48 58.175 -5.945 -4.514 1.00 0.00 H new ATOM 0 HB2 LYS A 48 57.561 -8.103 -3.796 1.00 0.00 H new ATOM 0 HB3 LYS A 48 59.194 -8.531 -3.325 1.00 0.00 H new ATOM 0 HG2 LYS A 48 59.092 -7.225 -1.317 1.00 0.00 H new ATOM 0 HG3 LYS A 48 57.730 -6.283 -1.889 1.00 0.00 H new ATOM 0 HD2 LYS A 48 57.021 -8.001 -0.207 1.00 0.00 H new ATOM 0 HD3 LYS A 48 56.244 -8.257 -1.757 1.00 0.00 H new ATOM 0 HE2 LYS A 48 58.878 -9.643 -1.128 1.00 0.00 H new ATOM 0 HE3 LYS A 48 57.371 -10.314 -0.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 57.296 -11.279 -2.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 56.749 -9.769 -3.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 58.390 -10.183 -3.249 1.00 0.00 H new ATOM 771 N GLN A 49 59.267 -4.549 -2.755 1.00 0.00 N ATOM 772 CA GLN A 49 59.979 -3.624 -1.881 1.00 0.00 C ATOM 773 C GLN A 49 59.866 -4.068 -0.426 1.00 0.00 C ATOM 774 O GLN A 49 58.801 -4.502 0.018 1.00 0.00 O ATOM 775 CB GLN A 49 59.405 -2.213 -2.034 1.00 0.00 C ATOM 776 CG GLN A 49 60.302 -1.213 -1.300 1.00 0.00 C ATOM 777 CD GLN A 49 59.468 -0.365 -0.346 1.00 0.00 C ATOM 778 OE1 GLN A 49 59.636 -0.452 0.871 1.00 0.00 O ATOM 779 NE2 GLN A 49 58.574 0.455 -0.827 1.00 0.00 N ATOM 0 H GLN A 49 58.304 -4.283 -2.962 1.00 0.00 H new ATOM 0 HA GLN A 49 61.031 -3.620 -2.167 1.00 0.00 H new ATOM 0 HB2 GLN A 49 59.337 -1.949 -3.089 1.00 0.00 H new ATOM 0 HB3 GLN A 49 58.393 -2.175 -1.630 1.00 0.00 H new ATOM 0 HG2 GLN A 49 61.075 -1.745 -0.745 1.00 0.00 H new ATOM 0 HG3 GLN A 49 60.810 -0.571 -2.020 1.00 0.00 H new ATOM 0 HE21 GLN A 49 58.437 0.525 -1.835 1.00 0.00 H new ATOM 0 HE22 GLN A 49 58.013 1.026 -0.195 1.00 0.00 H new ATOM 788 N LEU A 50 60.965 -3.958 0.312 1.00 0.00 N ATOM 789 CA LEU A 50 60.971 -4.354 1.716 1.00 0.00 C ATOM 790 C LEU A 50 60.635 -3.165 2.611 1.00 0.00 C ATOM 791 O LEU A 50 61.269 -2.114 2.525 1.00 0.00 O ATOM 792 CB LEU A 50 62.345 -4.910 2.099 1.00 0.00 C ATOM 793 CG LEU A 50 62.833 -5.874 1.016 1.00 0.00 C ATOM 794 CD1 LEU A 50 64.107 -6.574 1.493 1.00 0.00 C ATOM 795 CD2 LEU A 50 61.752 -6.919 0.737 1.00 0.00 C ATOM 0 H LEU A 50 61.856 -3.601 -0.034 1.00 0.00 H new ATOM 0 HA LEU A 50 60.215 -5.126 1.857 1.00 0.00 H new ATOM 0 HB2 LEU A 50 63.057 -4.094 2.220 1.00 0.00 H new ATOM 0 HB3 LEU A 50 62.285 -5.425 3.058 1.00 0.00 H new ATOM 0 HG LEU A 50 63.044 -5.317 0.103 1.00 0.00 H new ATOM 0 HD11 LEU A 50 64.455 -7.261 0.722 1.00 0.00 H new ATOM 0 HD12 LEU A 50 64.878 -5.830 1.691 1.00 0.00 H new ATOM 0 HD13 LEU A 50 63.896 -7.130 2.406 1.00 0.00 H new ATOM 0 HD21 LEU A 50 62.100 -7.606 -0.035 1.00 0.00 H new ATOM 0 HD22 LEU A 50 61.540 -7.476 1.650 1.00 0.00 H new ATOM 0 HD23 LEU A 50 60.844 -6.421 0.397 1.00 0.00 H new ATOM 807 N GLU A 51 59.638 -3.342 3.472 1.00 0.00 N ATOM 808 CA GLU A 51 59.230 -2.279 4.383 1.00 0.00 C ATOM 809 C GLU A 51 60.022 -2.363 5.680 1.00 0.00 C ATOM 810 O GLU A 51 60.433 -3.445 6.100 1.00 0.00 O ATOM 811 CB GLU A 51 57.734 -2.396 4.685 1.00 0.00 C ATOM 812 CG GLU A 51 56.937 -2.184 3.396 1.00 0.00 C ATOM 813 CD GLU A 51 55.460 -1.989 3.722 1.00 0.00 C ATOM 814 OE1 GLU A 51 54.979 -0.879 3.559 1.00 0.00 O ATOM 815 OE2 GLU A 51 54.831 -2.951 4.130 1.00 0.00 O ATOM 0 H GLU A 51 59.101 -4.205 3.558 1.00 0.00 H new ATOM 0 HA GLU A 51 59.428 -1.318 3.909 1.00 0.00 H new ATOM 0 HB2 GLU A 51 57.512 -3.377 5.105 1.00 0.00 H new ATOM 0 HB3 GLU A 51 57.443 -1.656 5.431 1.00 0.00 H new ATOM 0 HG2 GLU A 51 57.318 -1.313 2.862 1.00 0.00 H new ATOM 0 HG3 GLU A 51 57.062 -3.042 2.736 1.00 0.00 H new ATOM 822 N ASP A 52 60.236 -1.215 6.313 1.00 0.00 N ATOM 823 CA ASP A 52 60.984 -1.175 7.560 1.00 0.00 C ATOM 824 C ASP A 52 60.153 -1.760 8.698 1.00 0.00 C ATOM 825 O ASP A 52 59.112 -1.214 9.062 1.00 0.00 O ATOM 826 CB ASP A 52 61.369 0.268 7.890 1.00 0.00 C ATOM 827 CG ASP A 52 60.772 1.219 6.860 1.00 0.00 C ATOM 828 OD1 ASP A 52 61.526 1.735 6.051 1.00 0.00 O ATOM 829 OD2 ASP A 52 59.567 1.405 6.885 1.00 0.00 O ATOM 0 H ASP A 52 59.905 -0.308 5.985 1.00 0.00 H new ATOM 0 HA ASP A 52 61.889 -1.772 7.443 1.00 0.00 H new ATOM 0 HB2 ASP A 52 61.012 0.529 8.886 1.00 0.00 H new ATOM 0 HB3 ASP A 52 62.454 0.369 7.903 1.00 0.00 H new ATOM 834 N GLY A 53 60.620 -2.874 9.257 1.00 0.00 N ATOM 835 CA GLY A 53 59.907 -3.521 10.354 1.00 0.00 C ATOM 836 C GLY A 53 60.030 -5.039 10.273 1.00 0.00 C ATOM 837 O GLY A 53 60.135 -5.718 11.294 1.00 0.00 O ATOM 0 H GLY A 53 61.480 -3.343 8.972 1.00 0.00 H new ATOM 0 HA2 GLY A 53 60.306 -3.172 11.306 1.00 0.00 H new ATOM 0 HA3 GLY A 53 58.855 -3.237 10.325 1.00 0.00 H new ATOM 841 N ARG A 54 60.022 -5.568 9.053 1.00 0.00 N ATOM 842 CA ARG A 54 60.138 -7.010 8.858 1.00 0.00 C ATOM 843 C ARG A 54 61.600 -7.419 8.925 1.00 0.00 C ATOM 844 O ARG A 54 62.482 -6.614 8.626 1.00 0.00 O ATOM 845 CB ARG A 54 59.563 -7.414 7.499 1.00 0.00 C ATOM 846 CG ARG A 54 58.478 -6.421 7.073 1.00 0.00 C ATOM 847 CD ARG A 54 57.425 -6.315 8.177 1.00 0.00 C ATOM 848 NE ARG A 54 56.101 -6.137 7.593 1.00 0.00 N ATOM 849 CZ ARG A 54 55.001 -6.291 8.322 1.00 0.00 C ATOM 850 NH1 ARG A 54 53.827 -6.108 7.780 1.00 0.00 N ATOM 851 NH2 ARG A 54 55.093 -6.624 9.580 1.00 0.00 N ATOM 0 H ARG A 54 59.937 -5.027 8.193 1.00 0.00 H new ATOM 0 HA ARG A 54 59.577 -7.514 9.645 1.00 0.00 H new ATOM 0 HB2 ARG A 54 60.357 -7.440 6.752 1.00 0.00 H new ATOM 0 HB3 ARG A 54 59.145 -8.419 7.556 1.00 0.00 H new ATOM 0 HG2 ARG A 54 58.920 -5.443 6.881 1.00 0.00 H new ATOM 0 HG3 ARG A 54 58.014 -6.749 6.143 1.00 0.00 H new ATOM 0 HD2 ARG A 54 57.441 -7.214 8.793 1.00 0.00 H new ATOM 0 HD3 ARG A 54 57.658 -5.476 8.832 1.00 0.00 H new ATOM 0 HE ARG A 54 56.018 -5.890 6.607 1.00 0.00 H new ATOM 0 HH11 ARG A 54 53.754 -5.847 6.797 1.00 0.00 H new ATOM 0 HH12 ARG A 54 52.983 -6.226 8.340 1.00 0.00 H new ATOM 0 HH21 ARG A 54 56.010 -6.766 10.004 1.00 0.00 H new ATOM 0 HH22 ARG A 54 54.248 -6.742 10.139 1.00 0.00 H new ATOM 865 N THR A 55 61.861 -8.661 9.326 1.00 0.00 N ATOM 866 CA THR A 55 63.236 -9.130 9.434 1.00 0.00 C ATOM 867 C THR A 55 63.620 -10.034 8.281 1.00 0.00 C ATOM 868 O THR A 55 62.769 -10.517 7.533 1.00 0.00 O ATOM 869 CB THR A 55 63.457 -9.848 10.761 1.00 0.00 C ATOM 870 OG1 THR A 55 62.713 -11.058 10.787 1.00 0.00 O ATOM 871 CG2 THR A 55 63.001 -8.930 11.886 1.00 0.00 C ATOM 0 H THR A 55 61.151 -9.349 9.577 1.00 0.00 H new ATOM 0 HA THR A 55 63.879 -8.251 9.393 1.00 0.00 H new ATOM 0 HB THR A 55 64.513 -10.090 10.884 1.00 0.00 H new ATOM 0 HG1 THR A 55 62.861 -11.515 11.641 1.00 0.00 H new ATOM 0 HG21 THR A 55 63.151 -9.427 12.845 1.00 0.00 H new ATOM 0 HG22 THR A 55 63.581 -8.007 11.860 1.00 0.00 H new ATOM 0 HG23 THR A 55 61.944 -8.697 11.760 1.00 0.00 H new ATOM 879 N LEU A 56 64.922 -10.244 8.143 1.00 0.00 N ATOM 880 CA LEU A 56 65.439 -11.077 7.077 1.00 0.00 C ATOM 881 C LEU A 56 64.811 -12.464 7.156 1.00 0.00 C ATOM 882 O LEU A 56 64.568 -13.107 6.134 1.00 0.00 O ATOM 883 CB LEU A 56 66.966 -11.204 7.207 1.00 0.00 C ATOM 884 CG LEU A 56 67.643 -9.827 7.106 1.00 0.00 C ATOM 885 CD1 LEU A 56 69.160 -10.013 7.085 1.00 0.00 C ATOM 886 CD2 LEU A 56 67.224 -9.110 5.821 1.00 0.00 C ATOM 0 H LEU A 56 65.634 -9.848 8.756 1.00 0.00 H new ATOM 0 HA LEU A 56 65.193 -10.619 6.119 1.00 0.00 H new ATOM 0 HB2 LEU A 56 67.216 -11.667 8.161 1.00 0.00 H new ATOM 0 HB3 LEU A 56 67.348 -11.860 6.425 1.00 0.00 H new ATOM 0 HG LEU A 56 67.339 -9.229 7.965 1.00 0.00 H new ATOM 0 HD11 LEU A 56 69.645 -9.039 7.013 1.00 0.00 H new ATOM 0 HD12 LEU A 56 69.478 -10.511 8.001 1.00 0.00 H new ATOM 0 HD13 LEU A 56 69.440 -10.622 6.225 1.00 0.00 H new ATOM 0 HD21 LEU A 56 67.715 -8.138 5.770 1.00 0.00 H new ATOM 0 HD22 LEU A 56 67.515 -9.709 4.958 1.00 0.00 H new ATOM 0 HD23 LEU A 56 66.143 -8.971 5.818 1.00 0.00 H new ATOM 898 N SER A 57 64.552 -12.919 8.378 1.00 0.00 N ATOM 899 CA SER A 57 63.951 -14.233 8.583 1.00 0.00 C ATOM 900 C SER A 57 62.488 -14.239 8.147 1.00 0.00 C ATOM 901 O SER A 57 61.952 -15.277 7.760 1.00 0.00 O ATOM 902 CB SER A 57 64.045 -14.624 10.058 1.00 0.00 C ATOM 903 OG SER A 57 62.734 -14.784 10.585 1.00 0.00 O ATOM 0 H SER A 57 64.747 -12.402 9.235 1.00 0.00 H new ATOM 0 HA SER A 57 64.497 -14.955 7.976 1.00 0.00 H new ATOM 0 HB2 SER A 57 64.608 -15.551 10.165 1.00 0.00 H new ATOM 0 HB3 SER A 57 64.583 -13.858 10.616 1.00 0.00 H new ATOM 0 HG SER A 57 62.790 -15.036 11.530 1.00 0.00 H new ATOM 909 N ASP A 58 61.844 -13.077 8.218 1.00 0.00 N ATOM 910 CA ASP A 58 60.439 -12.968 7.835 1.00 0.00 C ATOM 911 C ASP A 58 60.272 -13.063 6.320 1.00 0.00 C ATOM 912 O ASP A 58 59.282 -13.610 5.833 1.00 0.00 O ATOM 913 CB ASP A 58 59.865 -11.637 8.324 1.00 0.00 C ATOM 914 CG ASP A 58 59.869 -11.586 9.848 1.00 0.00 C ATOM 915 OD1 ASP A 58 59.743 -12.635 10.459 1.00 0.00 O ATOM 916 OD2 ASP A 58 59.984 -10.495 10.381 1.00 0.00 O ATOM 0 H ASP A 58 62.268 -12.205 8.534 1.00 0.00 H new ATOM 0 HA ASP A 58 59.900 -13.795 8.298 1.00 0.00 H new ATOM 0 HB2 ASP A 58 60.453 -10.811 7.924 1.00 0.00 H new ATOM 0 HB3 ASP A 58 58.848 -11.513 7.952 1.00 0.00 H new ATOM 921 N TYR A 59 61.237 -12.526 5.580 1.00 0.00 N ATOM 922 CA TYR A 59 61.173 -12.560 4.124 1.00 0.00 C ATOM 923 C TYR A 59 61.789 -13.851 3.599 1.00 0.00 C ATOM 924 O TYR A 59 62.034 -13.995 2.400 1.00 0.00 O ATOM 925 CB TYR A 59 61.916 -11.359 3.533 1.00 0.00 C ATOM 926 CG TYR A 59 60.949 -10.218 3.316 1.00 0.00 C ATOM 927 CD1 TYR A 59 59.954 -10.323 2.338 1.00 0.00 C ATOM 928 CD2 TYR A 59 61.051 -9.055 4.089 1.00 0.00 C ATOM 929 CE1 TYR A 59 59.059 -9.267 2.132 1.00 0.00 C ATOM 930 CE2 TYR A 59 60.156 -7.999 3.884 1.00 0.00 C ATOM 931 CZ TYR A 59 59.159 -8.104 2.906 1.00 0.00 C ATOM 932 OH TYR A 59 58.278 -7.061 2.704 1.00 0.00 O ATOM 0 H TYR A 59 62.065 -12.067 5.960 1.00 0.00 H new ATOM 0 HA TYR A 59 60.126 -12.516 3.823 1.00 0.00 H new ATOM 0 HB2 TYR A 59 62.716 -11.048 4.205 1.00 0.00 H new ATOM 0 HB3 TYR A 59 62.383 -11.637 2.588 1.00 0.00 H new ATOM 0 HD1 TYR A 59 59.877 -11.220 1.741 1.00 0.00 H new ATOM 0 HD2 TYR A 59 61.820 -8.973 4.843 1.00 0.00 H new ATOM 0 HE1 TYR A 59 58.292 -9.349 1.377 1.00 0.00 H new ATOM 0 HE2 TYR A 59 60.234 -7.102 4.481 1.00 0.00 H new ATOM 0 HH TYR A 59 58.486 -6.332 3.325 1.00 0.00 H new ATOM 942 N ASN A 60 62.035 -14.788 4.508 1.00 0.00 N ATOM 943 CA ASN A 60 62.624 -16.068 4.137 1.00 0.00 C ATOM 944 C ASN A 60 63.870 -15.859 3.283 1.00 0.00 C ATOM 945 O ASN A 60 64.111 -16.594 2.325 1.00 0.00 O ATOM 946 CB ASN A 60 61.604 -16.907 3.363 1.00 0.00 C ATOM 947 CG ASN A 60 60.263 -16.894 4.089 1.00 0.00 C ATOM 948 OD1 ASN A 60 59.258 -17.355 3.547 1.00 0.00 O ATOM 949 ND2 ASN A 60 60.186 -16.387 5.288 1.00 0.00 N ATOM 0 H ASN A 60 61.836 -14.685 5.503 1.00 0.00 H new ATOM 0 HA ASN A 60 62.909 -16.593 5.049 1.00 0.00 H new ATOM 0 HB2 ASN A 60 61.485 -16.511 2.354 1.00 0.00 H new ATOM 0 HB3 ASN A 60 61.963 -17.931 3.263 1.00 0.00 H new ATOM 0 HD21 ASN A 60 59.292 -16.372 5.779 1.00 0.00 H new ATOM 0 HD22 ASN A 60 61.020 -16.006 5.735 1.00 0.00 H new ATOM 956 N ILE A 61 64.659 -14.852 3.639 1.00 0.00 N ATOM 957 CA ILE A 61 65.882 -14.551 2.905 1.00 0.00 C ATOM 958 C ILE A 61 66.919 -15.649 3.128 1.00 0.00 C ATOM 959 O ILE A 61 67.079 -16.152 4.240 1.00 0.00 O ATOM 960 CB ILE A 61 66.424 -13.192 3.362 1.00 0.00 C ATOM 961 CG1 ILE A 61 65.293 -12.152 3.194 1.00 0.00 C ATOM 962 CG2 ILE A 61 67.663 -12.815 2.534 1.00 0.00 C ATOM 963 CD1 ILE A 61 65.762 -10.908 2.424 1.00 0.00 C ATOM 0 H ILE A 61 64.475 -14.232 4.428 1.00 0.00 H new ATOM 0 HA ILE A 61 65.664 -14.507 1.838 1.00 0.00 H new ATOM 0 HB ILE A 61 66.733 -13.227 4.407 1.00 0.00 H new ATOM 0 HG12 ILE A 61 64.456 -12.610 2.667 1.00 0.00 H new ATOM 0 HG13 ILE A 61 64.927 -11.853 4.176 1.00 0.00 H new ATOM 0 HG21 ILE A 61 68.042 -11.848 2.865 1.00 0.00 H new ATOM 0 HG22 ILE A 61 68.435 -13.573 2.669 1.00 0.00 H new ATOM 0 HG23 ILE A 61 67.392 -12.757 1.480 1.00 0.00 H new ATOM 0 HD11 ILE A 61 64.934 -10.205 2.330 1.00 0.00 H new ATOM 0 HD12 ILE A 61 66.582 -10.434 2.964 1.00 0.00 H new ATOM 0 HD13 ILE A 61 66.103 -11.202 1.431 1.00 0.00 H new ATOM 975 N GLN A 62 67.614 -16.024 2.058 1.00 0.00 N ATOM 976 CA GLN A 62 68.626 -17.073 2.137 1.00 0.00 C ATOM 977 C GLN A 62 69.999 -16.485 2.438 1.00 0.00 C ATOM 978 O GLN A 62 70.139 -15.279 2.638 1.00 0.00 O ATOM 979 CB GLN A 62 68.678 -17.850 0.821 1.00 0.00 C ATOM 980 CG GLN A 62 67.456 -18.767 0.720 1.00 0.00 C ATOM 981 CD GLN A 62 67.847 -20.194 1.086 1.00 0.00 C ATOM 982 OE1 GLN A 62 67.482 -20.685 2.155 1.00 0.00 O ATOM 983 NE2 GLN A 62 68.571 -20.897 0.257 1.00 0.00 N ATOM 0 H GLN A 62 67.496 -15.619 1.129 1.00 0.00 H new ATOM 0 HA GLN A 62 68.352 -17.748 2.948 1.00 0.00 H new ATOM 0 HB2 GLN A 62 68.697 -17.158 -0.021 1.00 0.00 H new ATOM 0 HB3 GLN A 62 69.593 -18.440 0.771 1.00 0.00 H new ATOM 0 HG2 GLN A 62 66.669 -18.414 1.387 1.00 0.00 H new ATOM 0 HG3 GLN A 62 67.052 -18.739 -0.292 1.00 0.00 H new ATOM 0 HE21 GLN A 62 68.873 -20.490 -0.628 1.00 0.00 H new ATOM 0 HE22 GLN A 62 68.835 -21.853 0.495 1.00 0.00 H new ATOM 992 N LYS A 63 71.010 -17.349 2.474 1.00 0.00 N ATOM 993 CA LYS A 63 72.373 -16.910 2.759 1.00 0.00 C ATOM 994 C LYS A 63 73.088 -16.494 1.481 1.00 0.00 C ATOM 995 O LYS A 63 74.256 -16.108 1.499 1.00 0.00 O ATOM 996 CB LYS A 63 73.153 -18.043 3.420 1.00 0.00 C ATOM 997 CG LYS A 63 72.963 -19.331 2.619 1.00 0.00 C ATOM 998 CD LYS A 63 74.130 -20.280 2.892 1.00 0.00 C ATOM 999 CE LYS A 63 74.219 -20.562 4.393 1.00 0.00 C ATOM 1000 NZ LYS A 63 75.083 -19.536 5.043 1.00 0.00 N ATOM 0 H LYS A 63 70.913 -18.351 2.310 1.00 0.00 H new ATOM 0 HA LYS A 63 72.320 -16.052 3.429 1.00 0.00 H new ATOM 0 HB2 LYS A 63 74.211 -17.788 3.472 1.00 0.00 H new ATOM 0 HB3 LYS A 63 72.809 -18.186 4.444 1.00 0.00 H new ATOM 0 HG2 LYS A 63 72.022 -19.807 2.894 1.00 0.00 H new ATOM 0 HG3 LYS A 63 72.906 -19.104 1.554 1.00 0.00 H new ATOM 0 HD2 LYS A 63 73.991 -21.212 2.344 1.00 0.00 H new ATOM 0 HD3 LYS A 63 75.062 -19.839 2.538 1.00 0.00 H new ATOM 0 HE2 LYS A 63 73.223 -20.547 4.836 1.00 0.00 H new ATOM 0 HE3 LYS A 63 74.629 -21.558 4.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 75.740 -20.002 5.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 75.624 -19.026 4.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 74.488 -18.863 5.567 1.00 0.00 H new ATOM 1014 N GLU A 64 72.378 -16.593 0.378 1.00 0.00 N ATOM 1015 CA GLU A 64 72.918 -16.238 -0.917 1.00 0.00 C ATOM 1016 C GLU A 64 71.992 -15.257 -1.622 1.00 0.00 C ATOM 1017 O GLU A 64 72.343 -14.677 -2.649 1.00 0.00 O ATOM 1018 CB GLU A 64 73.099 -17.503 -1.758 1.00 0.00 C ATOM 1019 CG GLU A 64 74.558 -17.958 -1.681 1.00 0.00 C ATOM 1020 CD GLU A 64 74.683 -19.411 -2.126 1.00 0.00 C ATOM 1021 OE1 GLU A 64 75.455 -20.130 -1.513 1.00 0.00 O ATOM 1022 OE2 GLU A 64 74.023 -19.781 -3.083 1.00 0.00 O ATOM 0 H GLU A 64 71.412 -16.921 0.353 1.00 0.00 H new ATOM 0 HA GLU A 64 73.887 -15.758 -0.784 1.00 0.00 H new ATOM 0 HB2 GLU A 64 72.441 -18.292 -1.395 1.00 0.00 H new ATOM 0 HB3 GLU A 64 72.821 -17.308 -2.794 1.00 0.00 H new ATOM 0 HG2 GLU A 64 75.178 -17.322 -2.313 1.00 0.00 H new ATOM 0 HG3 GLU A 64 74.926 -17.850 -0.661 1.00 0.00 H new ATOM 1029 N SER A 65 70.797 -15.097 -1.063 1.00 0.00 N ATOM 1030 CA SER A 65 69.796 -14.205 -1.635 1.00 0.00 C ATOM 1031 C SER A 65 70.437 -12.942 -2.197 1.00 0.00 C ATOM 1032 O SER A 65 71.287 -12.324 -1.556 1.00 0.00 O ATOM 1033 CB SER A 65 68.770 -13.823 -0.568 1.00 0.00 C ATOM 1034 OG SER A 65 67.640 -14.680 -0.677 1.00 0.00 O ATOM 0 H SER A 65 70.498 -15.575 -0.213 1.00 0.00 H new ATOM 0 HA SER A 65 69.303 -14.733 -2.451 1.00 0.00 H new ATOM 0 HB2 SER A 65 69.211 -13.908 0.425 1.00 0.00 H new ATOM 0 HB3 SER A 65 68.467 -12.784 -0.694 1.00 0.00 H new ATOM 0 HG SER A 65 66.965 -14.260 -1.251 1.00 0.00 H new ATOM 1040 N THR A 66 70.009 -12.560 -3.394 1.00 0.00 N ATOM 1041 CA THR A 66 70.527 -11.361 -4.038 1.00 0.00 C ATOM 1042 C THR A 66 69.551 -10.211 -3.827 1.00 0.00 C ATOM 1043 O THR A 66 68.398 -10.280 -4.251 1.00 0.00 O ATOM 1044 CB THR A 66 70.718 -11.608 -5.537 1.00 0.00 C ATOM 1045 OG1 THR A 66 71.408 -12.835 -5.728 1.00 0.00 O ATOM 1046 CG2 THR A 66 71.530 -10.463 -6.148 1.00 0.00 C ATOM 0 H THR A 66 69.306 -13.062 -3.937 1.00 0.00 H new ATOM 0 HA THR A 66 71.491 -11.107 -3.598 1.00 0.00 H new ATOM 0 HB THR A 66 69.744 -11.658 -6.024 1.00 0.00 H new ATOM 0 HG1 THR A 66 71.530 -12.996 -6.687 1.00 0.00 H new ATOM 0 HG21 THR A 66 71.665 -10.641 -7.215 1.00 0.00 H new ATOM 0 HG22 THR A 66 71.000 -9.522 -6.001 1.00 0.00 H new ATOM 0 HG23 THR A 66 72.505 -10.409 -5.663 1.00 0.00 H new ATOM 1054 N LEU A 67 70.014 -9.161 -3.159 1.00 0.00 N ATOM 1055 CA LEU A 67 69.164 -8.011 -2.887 1.00 0.00 C ATOM 1056 C LEU A 67 69.499 -6.858 -3.820 1.00 0.00 C ATOM 1057 O LEU A 67 70.668 -6.594 -4.105 1.00 0.00 O ATOM 1058 CB LEU A 67 69.349 -7.560 -1.435 1.00 0.00 C ATOM 1059 CG LEU A 67 68.899 -8.675 -0.490 1.00 0.00 C ATOM 1060 CD1 LEU A 67 70.018 -8.980 0.508 1.00 0.00 C ATOM 1061 CD2 LEU A 67 67.649 -8.226 0.271 1.00 0.00 C ATOM 0 H LEU A 67 70.965 -9.083 -2.799 1.00 0.00 H new ATOM 0 HA LEU A 67 68.128 -8.305 -3.052 1.00 0.00 H new ATOM 0 HB2 LEU A 67 70.395 -7.313 -1.251 1.00 0.00 H new ATOM 0 HB3 LEU A 67 68.770 -6.655 -1.248 1.00 0.00 H new ATOM 0 HG LEU A 67 68.672 -9.571 -1.068 1.00 0.00 H new ATOM 0 HD11 LEU A 67 69.698 -9.775 1.182 1.00 0.00 H new ATOM 0 HD12 LEU A 67 70.910 -9.299 -0.032 1.00 0.00 H new ATOM 0 HD13 LEU A 67 70.245 -8.084 1.086 1.00 0.00 H new ATOM 0 HD21 LEU A 67 67.328 -9.021 0.945 1.00 0.00 H new ATOM 0 HD22 LEU A 67 67.877 -7.330 0.849 1.00 0.00 H new ATOM 0 HD23 LEU A 67 66.851 -8.007 -0.438 1.00 0.00 H new ATOM 1073 N HIS A 68 68.467 -6.170 -4.292 1.00 0.00 N ATOM 1074 CA HIS A 68 68.660 -5.043 -5.191 1.00 0.00 C ATOM 1075 C HIS A 68 68.658 -3.743 -4.399 1.00 0.00 C ATOM 1076 O HIS A 68 67.661 -3.388 -3.772 1.00 0.00 O ATOM 1077 CB HIS A 68 67.546 -5.008 -6.234 1.00 0.00 C ATOM 1078 CG HIS A 68 67.583 -6.266 -7.048 1.00 0.00 C ATOM 1079 ND1 HIS A 68 66.940 -7.424 -6.640 1.00 0.00 N ATOM 1080 CD2 HIS A 68 68.179 -6.571 -8.246 1.00 0.00 C ATOM 1081 CE1 HIS A 68 67.163 -8.364 -7.577 1.00 0.00 C ATOM 1082 NE2 HIS A 68 67.912 -7.896 -8.579 1.00 0.00 N ATOM 0 H HIS A 68 67.493 -6.372 -4.068 1.00 0.00 H new ATOM 0 HA HIS A 68 69.619 -5.156 -5.696 1.00 0.00 H new ATOM 0 HB2 HIS A 68 66.578 -4.908 -5.744 1.00 0.00 H new ATOM 0 HB3 HIS A 68 67.667 -4.140 -6.882 1.00 0.00 H new ATOM 0 HD2 HIS A 68 68.766 -5.887 -8.840 1.00 0.00 H new ATOM 0 HE1 HIS A 68 66.783 -9.374 -7.525 1.00 0.00 H new ATOM 0 HE2 HIS A 68 68.222 -8.401 -9.409 1.00 0.00 H new ATOM 1090 N LEU A 69 69.783 -3.039 -4.424 1.00 0.00 N ATOM 1091 CA LEU A 69 69.900 -1.784 -3.696 1.00 0.00 C ATOM 1092 C LEU A 69 69.655 -0.604 -4.632 1.00 0.00 C ATOM 1093 O LEU A 69 70.526 -0.226 -5.415 1.00 0.00 O ATOM 1094 CB LEU A 69 71.295 -1.689 -3.067 1.00 0.00 C ATOM 1095 CG LEU A 69 71.537 -0.284 -2.508 1.00 0.00 C ATOM 1096 CD1 LEU A 69 70.359 0.139 -1.627 1.00 0.00 C ATOM 1097 CD2 LEU A 69 72.818 -0.289 -1.670 1.00 0.00 C ATOM 0 H LEU A 69 70.621 -3.314 -4.937 1.00 0.00 H new ATOM 0 HA LEU A 69 69.149 -1.754 -2.907 1.00 0.00 H new ATOM 0 HB2 LEU A 69 71.392 -2.426 -2.269 1.00 0.00 H new ATOM 0 HB3 LEU A 69 72.054 -1.926 -3.813 1.00 0.00 H new ATOM 0 HG LEU A 69 71.636 0.419 -3.335 1.00 0.00 H new ATOM 0 HD11 LEU A 69 70.540 1.139 -1.234 1.00 0.00 H new ATOM 0 HD12 LEU A 69 69.444 0.142 -2.220 1.00 0.00 H new ATOM 0 HD13 LEU A 69 70.253 -0.563 -0.799 1.00 0.00 H new ATOM 0 HD21 LEU A 69 72.995 0.709 -1.270 1.00 0.00 H new ATOM 0 HD22 LEU A 69 72.712 -0.996 -0.847 1.00 0.00 H new ATOM 0 HD23 LEU A 69 73.661 -0.584 -2.295 1.00 0.00 H new ATOM 1109 N VAL A 70 68.458 -0.031 -4.545 1.00 0.00 N ATOM 1110 CA VAL A 70 68.091 1.104 -5.385 1.00 0.00 C ATOM 1111 C VAL A 70 68.062 2.388 -4.565 1.00 0.00 C ATOM 1112 O VAL A 70 67.675 2.382 -3.397 1.00 0.00 O ATOM 1113 CB VAL A 70 66.713 0.866 -6.010 1.00 0.00 C ATOM 1114 CG1 VAL A 70 66.621 1.598 -7.349 1.00 0.00 C ATOM 1115 CG2 VAL A 70 66.501 -0.632 -6.236 1.00 0.00 C ATOM 0 H VAL A 70 67.727 -0.334 -3.902 1.00 0.00 H new ATOM 0 HA VAL A 70 68.836 1.205 -6.174 1.00 0.00 H new ATOM 0 HB VAL A 70 65.945 1.244 -5.335 1.00 0.00 H new ATOM 0 HG11 VAL A 70 65.639 1.426 -7.791 1.00 0.00 H new ATOM 0 HG12 VAL A 70 66.766 2.667 -7.190 1.00 0.00 H new ATOM 0 HG13 VAL A 70 67.392 1.224 -8.022 1.00 0.00 H new ATOM 0 HG21 VAL A 70 65.520 -0.798 -6.681 1.00 0.00 H new ATOM 0 HG22 VAL A 70 67.272 -1.011 -6.907 1.00 0.00 H new ATOM 0 HG23 VAL A 70 66.560 -1.156 -5.282 1.00 0.00 H new ATOM 1125 N LEU A 71 68.472 3.491 -5.185 1.00 0.00 N ATOM 1126 CA LEU A 71 68.486 4.779 -4.501 1.00 0.00 C ATOM 1127 C LEU A 71 67.271 5.609 -4.897 1.00 0.00 C ATOM 1128 O LEU A 71 67.009 5.819 -6.082 1.00 0.00 O ATOM 1129 CB LEU A 71 69.767 5.540 -4.854 1.00 0.00 C ATOM 1130 CG LEU A 71 70.719 5.522 -3.658 1.00 0.00 C ATOM 1131 CD1 LEU A 71 72.077 6.087 -4.079 1.00 0.00 C ATOM 1132 CD2 LEU A 71 70.143 6.374 -2.523 1.00 0.00 C ATOM 0 H LEU A 71 68.796 3.519 -6.152 1.00 0.00 H new ATOM 0 HA LEU A 71 68.453 4.601 -3.426 1.00 0.00 H new ATOM 0 HB2 LEU A 71 70.246 5.084 -5.720 1.00 0.00 H new ATOM 0 HB3 LEU A 71 69.528 6.568 -5.126 1.00 0.00 H new ATOM 0 HG LEU A 71 70.841 4.496 -3.311 1.00 0.00 H new ATOM 0 HD11 LEU A 71 72.756 6.074 -3.227 1.00 0.00 H new ATOM 0 HD12 LEU A 71 72.491 5.478 -4.882 1.00 0.00 H new ATOM 0 HD13 LEU A 71 71.952 7.112 -4.428 1.00 0.00 H new ATOM 0 HD21 LEU A 71 70.826 6.358 -1.673 1.00 0.00 H new ATOM 0 HD22 LEU A 71 70.016 7.401 -2.867 1.00 0.00 H new ATOM 0 HD23 LEU A 71 69.177 5.971 -2.220 1.00 0.00 H new ATOM 1144 N ARG A 72 66.532 6.082 -3.899 1.00 0.00 N ATOM 1145 CA ARG A 72 65.345 6.890 -4.158 1.00 0.00 C ATOM 1146 C ARG A 72 65.700 8.372 -4.184 1.00 0.00 C ATOM 1147 O ARG A 72 66.101 8.944 -3.170 1.00 0.00 O ATOM 1148 CB ARG A 72 64.296 6.634 -3.075 1.00 0.00 C ATOM 1149 CG ARG A 72 62.947 7.201 -3.522 1.00 0.00 C ATOM 1150 CD ARG A 72 62.342 8.024 -2.387 1.00 0.00 C ATOM 1151 NE ARG A 72 61.020 8.511 -2.765 1.00 0.00 N ATOM 1152 CZ ARG A 72 60.383 9.414 -2.028 1.00 0.00 C ATOM 1153 NH1 ARG A 72 59.203 9.838 -2.390 1.00 0.00 N ATOM 1154 NH2 ARG A 72 60.938 9.879 -0.941 1.00 0.00 N ATOM 0 H ARG A 72 66.731 5.922 -2.912 1.00 0.00 H new ATOM 0 HA ARG A 72 64.941 6.609 -5.131 1.00 0.00 H new ATOM 0 HB2 ARG A 72 64.207 5.564 -2.886 1.00 0.00 H new ATOM 0 HB3 ARG A 72 64.605 7.099 -2.139 1.00 0.00 H new ATOM 0 HG2 ARG A 72 63.077 7.823 -4.408 1.00 0.00 H new ATOM 0 HG3 ARG A 72 62.273 6.390 -3.798 1.00 0.00 H new ATOM 0 HD2 ARG A 72 62.269 7.415 -1.486 1.00 0.00 H new ATOM 0 HD3 ARG A 72 62.994 8.865 -2.151 1.00 0.00 H new ATOM 0 HE ARG A 72 60.577 8.152 -3.610 1.00 0.00 H new ATOM 0 HH11 ARG A 72 58.769 9.476 -3.239 1.00 0.00 H new ATOM 0 HH12 ARG A 72 58.714 10.531 -1.824 1.00 0.00 H new ATOM 0 HH21 ARG A 72 61.861 9.549 -0.658 1.00 0.00 H new ATOM 0 HH22 ARG A 72 60.449 10.572 -0.375 1.00 0.00 H new ATOM 1168 N LEU A 73 65.550 8.991 -5.351 1.00 0.00 N ATOM 1169 CA LEU A 73 65.859 10.407 -5.500 1.00 0.00 C ATOM 1170 C LEU A 73 64.595 11.248 -5.349 1.00 0.00 C ATOM 1171 O LEU A 73 63.482 10.726 -5.400 1.00 0.00 O ATOM 1172 CB LEU A 73 66.483 10.668 -6.874 1.00 0.00 C ATOM 1173 CG LEU A 73 67.832 9.945 -6.973 1.00 0.00 C ATOM 1174 CD1 LEU A 73 67.625 8.426 -6.944 1.00 0.00 C ATOM 1175 CD2 LEU A 73 68.519 10.336 -8.283 1.00 0.00 C ATOM 0 H LEU A 73 65.218 8.537 -6.202 1.00 0.00 H new ATOM 0 HA LEU A 73 66.568 10.687 -4.721 1.00 0.00 H new ATOM 0 HB2 LEU A 73 65.814 10.319 -7.661 1.00 0.00 H new ATOM 0 HB3 LEU A 73 66.621 11.739 -7.024 1.00 0.00 H new ATOM 0 HG LEU A 73 68.453 10.234 -6.125 1.00 0.00 H new ATOM 0 HD11 LEU A 73 68.591 7.926 -7.015 1.00 0.00 H new ATOM 0 HD12 LEU A 73 67.138 8.143 -6.011 1.00 0.00 H new ATOM 0 HD13 LEU A 73 66.999 8.128 -7.785 1.00 0.00 H new ATOM 0 HD21 LEU A 73 69.479 9.824 -8.358 1.00 0.00 H new ATOM 0 HD22 LEU A 73 67.888 10.049 -9.124 1.00 0.00 H new ATOM 0 HD23 LEU A 73 68.680 11.414 -8.302 1.00 0.00 H new ATOM 1187 N ARG A 74 64.776 12.552 -5.163 1.00 0.00 N ATOM 1188 CA ARG A 74 63.643 13.458 -5.008 1.00 0.00 C ATOM 1189 C ARG A 74 63.397 14.236 -6.297 1.00 0.00 C ATOM 1190 O ARG A 74 64.313 14.440 -7.094 1.00 0.00 O ATOM 1191 CB ARG A 74 63.912 14.437 -3.863 1.00 0.00 C ATOM 1192 CG ARG A 74 62.665 14.548 -2.983 1.00 0.00 C ATOM 1193 CD ARG A 74 62.831 15.712 -2.006 1.00 0.00 C ATOM 1194 NE ARG A 74 62.939 16.971 -2.734 1.00 0.00 N ATOM 1195 CZ ARG A 74 63.117 18.123 -2.095 1.00 0.00 C ATOM 1196 NH1 ARG A 74 63.211 19.235 -2.770 1.00 0.00 N ATOM 1197 NH2 ARG A 74 63.200 18.140 -0.793 1.00 0.00 N ATOM 0 H ARG A 74 65.690 13.003 -5.116 1.00 0.00 H new ATOM 0 HA ARG A 74 62.757 12.866 -4.781 1.00 0.00 H new ATOM 0 HB2 ARG A 74 64.760 14.095 -3.269 1.00 0.00 H new ATOM 0 HB3 ARG A 74 64.177 15.416 -4.262 1.00 0.00 H new ATOM 0 HG2 ARG A 74 61.782 14.703 -3.603 1.00 0.00 H new ATOM 0 HG3 ARG A 74 62.510 13.619 -2.435 1.00 0.00 H new ATOM 0 HD2 ARG A 74 61.980 15.749 -1.326 1.00 0.00 H new ATOM 0 HD3 ARG A 74 63.721 15.559 -1.395 1.00 0.00 H new ATOM 0 HE ARG A 74 62.877 16.968 -3.752 1.00 0.00 H new ATOM 0 HH11 ARG A 74 63.148 19.221 -3.788 1.00 0.00 H new ATOM 0 HH12 ARG A 74 63.348 20.119 -2.280 1.00 0.00 H new ATOM 0 HH21 ARG A 74 63.128 17.270 -0.266 1.00 0.00 H new ATOM 0 HH22 ARG A 74 63.337 19.024 -0.302 1.00 0.00 H new ATOM 1211 N GLY A 75 62.156 14.667 -6.495 1.00 0.00 N ATOM 1212 CA GLY A 75 61.802 15.421 -7.691 1.00 0.00 C ATOM 1213 C GLY A 75 62.150 16.897 -7.528 1.00 0.00 C ATOM 1214 O GLY A 75 63.287 17.244 -7.213 1.00 0.00 O ATOM 0 H GLY A 75 61.384 14.509 -5.848 1.00 0.00 H new ATOM 0 HA2 GLY A 75 62.330 15.012 -8.553 1.00 0.00 H new ATOM 0 HA3 GLY A 75 60.736 15.315 -7.890 1.00 0.00 H new ATOM 1218 N GLY A 76 61.162 17.761 -7.745 1.00 0.00 N ATOM 1219 CA GLY A 76 61.376 19.197 -7.620 1.00 0.00 C ATOM 1220 C GLY A 76 60.205 19.861 -6.907 1.00 0.00 C ATOM 1221 O GLY A 76 60.267 21.063 -6.698 1.00 0.00 O ATOM 1222 OXT GLY A 76 59.260 19.161 -6.582 1.00 0.00 O ATOM 0 H GLY A 76 60.213 17.493 -8.006 1.00 0.00 H new ATOM 0 HA2 GLY A 76 62.297 19.385 -7.068 1.00 0.00 H new ATOM 0 HA3 GLY A 76 61.502 19.637 -8.609 1.00 0.00 H new TER 1226 GLY A 76