USER MOD reduce.3.24.130724 H: found=0, std=0, add=986, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 985 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 96 THR OG1 : rot 180:sc= -0.0367 USER MOD Set 1.2: A 97 ASN : amide:sc= 0 X(o=-0.037,f=0.21) USER MOD Set 2.1: A 65 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0206) USER MOD Set 2.2: A 68 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 18 TYR OH : rot 110:sc= -0.506 USER MOD Set 3.2: A 92 ASN : amide:sc= -0.493 X(o=-1,f=-0.78) USER MOD Single : A 1 PHE N :NH3+ -146:sc= 0.525 (180deg=-0.0208) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot -49:sc= -2.03 USER MOD Single : A 23 TYR OH : rot 171:sc= -1.26! USER MOD Single : A 24 SER OG : rot 180:sc= -0.023 USER MOD Single : A 27 SER OG : rot -82:sc= -0.216 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 ASN : amide:sc= -0.183 X(o=-0.18,f=-0.46) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= -3.81 K(o=-3.8,f=-7.9!) USER MOD Single : A 37 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.527) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 MET CE :methyl 173:sc= -5.55 (180deg=-5.81) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN :FLIP amide:sc= -0.698 F(o=-1.5,f=-0.7) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot -26:sc= 0.713 USER MOD Single : A 67 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.235) USER MOD Single : A 70 SER OG : rot 70:sc=0.000601 USER MOD Single : A 72 MET CE :methyl -174:sc= -3.84! (180deg=-4.02!) USER MOD Single : A 73 THR OG1 : rot 63:sc= -5.51! USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 131:sc= 0.0306 (180deg=-1.29!) USER MOD Single : A 79 SER OG : rot -93:sc= -2.07! USER MOD Single : A 82 THR OG1 : rot -70:sc= -1.18 USER MOD Single : A 83 SER OG : rot -56:sc= 1.16 USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=-0.043) USER MOD Single : A 87 ASN : amide:sc= -3.54! C(o=-3.5!,f=-6.8!) USER MOD Single : A 98 THR OG1 : rot -50:sc= -2.07 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot -13:sc= 1.17 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 112 HIS : no HD1:sc= -6.02! C(o=-6!,f=-9.9!) USER MOD Single : A 118 CYS SG : rot 180:sc= 0 USER MOD Single : A 119 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 19.255 17.278 16.577 1.00 0.00 N ATOM 2 CA PHE A 1 19.592 18.582 15.948 1.00 0.00 C ATOM 3 C PHE A 1 18.370 19.491 15.873 1.00 0.00 C ATOM 4 O PHE A 1 18.463 20.694 16.118 1.00 0.00 O ATOM 5 CB PHE A 1 20.142 18.319 14.544 1.00 0.00 C ATOM 6 CG PHE A 1 19.148 17.673 13.622 1.00 0.00 C ATOM 7 CD1 PHE A 1 18.239 18.441 12.912 1.00 0.00 C ATOM 8 CD2 PHE A 1 19.123 16.295 13.464 1.00 0.00 C ATOM 9 CE1 PHE A 1 17.324 17.849 12.063 1.00 0.00 C ATOM 10 CE2 PHE A 1 18.210 15.698 12.616 1.00 0.00 C ATOM 11 CZ PHE A 1 17.310 16.476 11.914 1.00 0.00 C ATOM 0 H1 PHE A 1 20.070 16.937 17.126 1.00 0.00 H new ATOM 0 H2 PHE A 1 18.437 17.398 17.209 1.00 0.00 H new ATOM 0 H3 PHE A 1 19.022 16.586 15.837 1.00 0.00 H new ATOM 0 HA PHE A 1 20.341 19.089 16.556 1.00 0.00 H new ATOM 0 HB2 PHE A 1 20.470 19.263 14.108 1.00 0.00 H new ATOM 0 HB3 PHE A 1 21.022 17.681 14.621 1.00 0.00 H new ATOM 0 HD1 PHE A 1 18.246 19.515 13.024 1.00 0.00 H new ATOM 0 HD2 PHE A 1 19.825 15.682 14.010 1.00 0.00 H new ATOM 0 HE1 PHE A 1 16.620 18.459 11.516 1.00 0.00 H new ATOM 0 HE2 PHE A 1 18.200 14.624 12.502 1.00 0.00 H new ATOM 0 HZ PHE A 1 16.596 16.011 11.250 1.00 0.00 H new ATOM 22 N ALA A 2 17.226 18.908 15.534 1.00 0.00 N ATOM 23 CA ALA A 2 15.984 19.666 15.427 1.00 0.00 C ATOM 24 C ALA A 2 15.052 19.360 16.594 1.00 0.00 C ATOM 25 O ALA A 2 14.330 20.235 17.071 1.00 0.00 O ATOM 26 CB ALA A 2 15.295 19.364 14.105 1.00 0.00 C ATOM 0 H ALA A 2 17.132 17.913 15.329 1.00 0.00 H new ATOM 0 HA ALA A 2 16.230 20.727 15.462 1.00 0.00 H new ATOM 0 HB1 ALA A 2 14.370 19.936 14.038 1.00 0.00 H new ATOM 0 HB2 ALA A 2 15.953 19.640 13.281 1.00 0.00 H new ATOM 0 HB3 ALA A 2 15.068 18.299 14.048 1.00 0.00 H new ATOM 32 N LYS A 3 15.073 18.112 17.050 1.00 0.00 N ATOM 33 CA LYS A 3 14.230 17.689 18.162 1.00 0.00 C ATOM 34 C LYS A 3 12.753 17.871 17.824 1.00 0.00 C ATOM 35 O LYS A 3 12.126 18.845 18.243 1.00 0.00 O ATOM 36 CB LYS A 3 14.579 18.482 19.424 1.00 0.00 C ATOM 37 CG LYS A 3 15.990 18.232 19.928 1.00 0.00 C ATOM 38 CD LYS A 3 16.256 18.974 21.228 1.00 0.00 C ATOM 39 CE LYS A 3 17.732 19.301 21.390 1.00 0.00 C ATOM 40 NZ LYS A 3 17.980 20.189 22.558 1.00 0.00 N ATOM 0 H LYS A 3 15.665 17.375 16.666 1.00 0.00 H new ATOM 0 HA LYS A 3 14.415 16.630 18.344 1.00 0.00 H new ATOM 0 HB2 LYS A 3 14.458 19.546 19.220 1.00 0.00 H new ATOM 0 HB3 LYS A 3 13.870 18.226 20.211 1.00 0.00 H new ATOM 0 HG2 LYS A 3 16.139 17.163 20.081 1.00 0.00 H new ATOM 0 HG3 LYS A 3 16.709 18.549 19.173 1.00 0.00 H new ATOM 0 HD2 LYS A 3 15.674 19.895 21.248 1.00 0.00 H new ATOM 0 HD3 LYS A 3 15.922 18.367 22.070 1.00 0.00 H new ATOM 0 HE2 LYS A 3 18.297 18.377 21.510 1.00 0.00 H new ATOM 0 HE3 LYS A 3 18.098 19.783 20.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 18.998 20.388 22.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 17.461 21.082 22.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 17.654 19.719 23.427 1.00 0.00 H new ATOM 54 N LEU A 4 12.204 16.929 17.065 1.00 0.00 N ATOM 55 CA LEU A 4 10.801 16.985 16.672 1.00 0.00 C ATOM 56 C LEU A 4 9.945 16.111 17.583 1.00 0.00 C ATOM 57 O LEU A 4 9.738 14.929 17.311 1.00 0.00 O ATOM 58 CB LEU A 4 10.639 16.538 15.218 1.00 0.00 C ATOM 59 CG LEU A 4 10.815 17.644 14.177 1.00 0.00 C ATOM 60 CD1 LEU A 4 12.216 18.231 14.253 1.00 0.00 C ATOM 61 CD2 LEU A 4 10.534 17.110 12.780 1.00 0.00 C ATOM 0 H LEU A 4 12.709 16.117 16.710 1.00 0.00 H new ATOM 0 HA LEU A 4 10.464 18.017 16.768 1.00 0.00 H new ATOM 0 HB2 LEU A 4 11.363 15.749 15.014 1.00 0.00 H new ATOM 0 HB3 LEU A 4 9.648 16.100 15.097 1.00 0.00 H new ATOM 0 HG LEU A 4 10.099 18.437 14.393 1.00 0.00 H new ATOM 0 HD11 LEU A 4 12.322 19.016 13.505 1.00 0.00 H new ATOM 0 HD12 LEU A 4 12.381 18.650 15.245 1.00 0.00 H new ATOM 0 HD13 LEU A 4 12.950 17.447 14.063 1.00 0.00 H new ATOM 0 HD21 LEU A 4 10.664 17.910 12.052 1.00 0.00 H new ATOM 0 HD22 LEU A 4 11.226 16.298 12.555 1.00 0.00 H new ATOM 0 HD23 LEU A 4 9.511 16.738 12.732 1.00 0.00 H new ATOM 73 N VAL A 5 9.451 16.703 18.666 1.00 0.00 N ATOM 74 CA VAL A 5 8.617 15.978 19.618 1.00 0.00 C ATOM 75 C VAL A 5 7.286 15.579 18.990 1.00 0.00 C ATOM 76 O VAL A 5 6.332 16.357 18.985 1.00 0.00 O ATOM 77 CB VAL A 5 8.344 16.818 20.880 1.00 0.00 C ATOM 78 CG1 VAL A 5 7.647 15.980 21.939 1.00 0.00 C ATOM 79 CG2 VAL A 5 9.639 17.406 21.420 1.00 0.00 C ATOM 0 H VAL A 5 9.613 17.681 18.906 1.00 0.00 H new ATOM 0 HA VAL A 5 9.167 15.080 19.900 1.00 0.00 H new ATOM 0 HB VAL A 5 7.683 17.642 20.610 1.00 0.00 H new ATOM 0 HG11 VAL A 5 7.463 16.591 22.823 1.00 0.00 H new ATOM 0 HG12 VAL A 5 6.698 15.613 21.547 1.00 0.00 H new ATOM 0 HG13 VAL A 5 8.279 15.134 22.208 1.00 0.00 H new ATOM 0 HG21 VAL A 5 9.427 17.996 22.311 1.00 0.00 H new ATOM 0 HG22 VAL A 5 10.327 16.599 21.674 1.00 0.00 H new ATOM 0 HG23 VAL A 5 10.093 18.044 20.662 1.00 0.00 H new ATOM 89 N ARG A 6 7.229 14.362 18.461 1.00 0.00 N ATOM 90 CA ARG A 6 6.014 13.858 17.830 1.00 0.00 C ATOM 91 C ARG A 6 5.246 12.943 18.780 1.00 0.00 C ATOM 92 O ARG A 6 5.835 12.313 19.659 1.00 0.00 O ATOM 93 CB ARG A 6 6.357 13.105 16.543 1.00 0.00 C ATOM 94 CG ARG A 6 6.387 13.991 15.309 1.00 0.00 C ATOM 95 CD ARG A 6 7.270 13.402 14.222 1.00 0.00 C ATOM 96 NE ARG A 6 6.809 13.766 12.884 1.00 0.00 N ATOM 97 CZ ARG A 6 6.872 15.000 12.388 1.00 0.00 C ATOM 98 NH1 ARG A 6 7.378 15.989 13.114 1.00 0.00 N ATOM 99 NH2 ARG A 6 6.430 15.245 11.162 1.00 0.00 N ATOM 0 H ARG A 6 8.010 13.706 18.456 1.00 0.00 H new ATOM 0 HA ARG A 6 5.381 14.711 17.586 1.00 0.00 H new ATOM 0 HB2 ARG A 6 7.329 12.627 16.660 1.00 0.00 H new ATOM 0 HB3 ARG A 6 5.627 12.310 16.392 1.00 0.00 H new ATOM 0 HG2 ARG A 6 5.374 14.119 14.927 1.00 0.00 H new ATOM 0 HG3 ARG A 6 6.753 14.981 15.580 1.00 0.00 H new ATOM 0 HD2 ARG A 6 8.294 13.749 14.359 1.00 0.00 H new ATOM 0 HD3 ARG A 6 7.286 12.316 14.317 1.00 0.00 H new ATOM 0 HE ARG A 6 6.416 13.032 12.295 1.00 0.00 H new ATOM 0 HH11 ARG A 6 7.721 15.806 14.057 1.00 0.00 H new ATOM 0 HH12 ARG A 6 7.424 16.932 12.729 1.00 0.00 H new ATOM 0 HH21 ARG A 6 6.042 14.488 10.599 1.00 0.00 H new ATOM 0 HH22 ARG A 6 6.478 16.190 10.782 1.00 0.00 H new ATOM 113 N PRO A 7 3.915 12.856 18.614 1.00 0.00 N ATOM 114 CA PRO A 7 3.067 12.011 19.462 1.00 0.00 C ATOM 115 C PRO A 7 3.289 10.524 19.205 1.00 0.00 C ATOM 116 O PRO A 7 3.686 10.127 18.109 1.00 0.00 O ATOM 117 CB PRO A 7 1.647 12.417 19.061 1.00 0.00 C ATOM 118 CG PRO A 7 1.778 12.926 17.669 1.00 0.00 C ATOM 119 CD PRO A 7 3.133 13.573 17.589 1.00 0.00 C ATOM 0 HA PRO A 7 3.282 12.151 20.521 1.00 0.00 H new ATOM 0 HB2 PRO A 7 0.964 11.569 19.110 1.00 0.00 H new ATOM 0 HB3 PRO A 7 1.251 13.184 19.727 1.00 0.00 H new ATOM 0 HG2 PRO A 7 1.690 12.114 16.947 1.00 0.00 H new ATOM 0 HG3 PRO A 7 0.989 13.643 17.440 1.00 0.00 H new ATOM 0 HD2 PRO A 7 3.573 13.463 16.598 1.00 0.00 H new ATOM 0 HD3 PRO A 7 3.081 14.642 17.798 1.00 0.00 H new ATOM 127 N PRO A 8 3.036 9.676 20.217 1.00 0.00 N ATOM 128 CA PRO A 8 3.211 8.225 20.094 1.00 0.00 C ATOM 129 C PRO A 8 2.147 7.587 19.208 1.00 0.00 C ATOM 130 O PRO A 8 1.002 7.410 19.624 1.00 0.00 O ATOM 131 CB PRO A 8 3.075 7.729 21.535 1.00 0.00 C ATOM 132 CG PRO A 8 2.221 8.748 22.205 1.00 0.00 C ATOM 133 CD PRO A 8 2.559 10.064 21.559 1.00 0.00 C ATOM 0 HA PRO A 8 4.162 7.966 19.628 1.00 0.00 H new ATOM 0 HB2 PRO A 8 2.616 6.741 21.572 1.00 0.00 H new ATOM 0 HB3 PRO A 8 4.048 7.647 22.019 1.00 0.00 H new ATOM 0 HG2 PRO A 8 1.164 8.513 22.081 1.00 0.00 H new ATOM 0 HG3 PRO A 8 2.418 8.778 23.277 1.00 0.00 H new ATOM 0 HD2 PRO A 8 1.689 10.718 21.502 1.00 0.00 H new ATOM 0 HD3 PRO A 8 3.326 10.600 22.118 1.00 0.00 H new ATOM 141 N VAL A 9 2.533 7.242 17.983 1.00 0.00 N ATOM 142 CA VAL A 9 1.612 6.624 17.038 1.00 0.00 C ATOM 143 C VAL A 9 1.073 5.304 17.581 1.00 0.00 C ATOM 144 O VAL A 9 -0.122 5.026 17.485 1.00 0.00 O ATOM 145 CB VAL A 9 2.290 6.369 15.678 1.00 0.00 C ATOM 146 CG1 VAL A 9 2.671 7.684 15.017 1.00 0.00 C ATOM 147 CG2 VAL A 9 3.509 5.475 15.848 1.00 0.00 C ATOM 0 H VAL A 9 3.477 7.380 17.623 1.00 0.00 H new ATOM 0 HA VAL A 9 0.786 7.321 16.898 1.00 0.00 H new ATOM 0 HB VAL A 9 1.580 5.856 15.029 1.00 0.00 H new ATOM 0 HG11 VAL A 9 3.149 7.484 14.058 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.775 8.284 14.858 1.00 0.00 H new ATOM 0 HG13 VAL A 9 3.363 8.228 15.660 1.00 0.00 H new ATOM 0 HG21 VAL A 9 3.975 5.306 14.877 1.00 0.00 H new ATOM 0 HG22 VAL A 9 4.224 5.958 16.514 1.00 0.00 H new ATOM 0 HG23 VAL A 9 3.203 4.520 16.275 1.00 0.00 H new ATOM 157 N GLN A 10 1.964 4.497 18.149 1.00 0.00 N ATOM 158 CA GLN A 10 1.585 3.204 18.712 1.00 0.00 C ATOM 159 C GLN A 10 1.089 2.255 17.623 1.00 0.00 C ATOM 160 O GLN A 10 1.800 1.333 17.223 1.00 0.00 O ATOM 161 CB GLN A 10 0.507 3.381 19.783 1.00 0.00 C ATOM 162 CG GLN A 10 0.086 2.078 20.443 1.00 0.00 C ATOM 163 CD GLN A 10 -0.413 2.278 21.861 1.00 0.00 C ATOM 164 OE1 GLN A 10 -1.563 2.659 22.080 1.00 0.00 O ATOM 165 NE2 GLN A 10 0.454 2.023 22.834 1.00 0.00 N ATOM 0 H GLN A 10 2.957 4.716 18.232 1.00 0.00 H new ATOM 0 HA GLN A 10 2.472 2.767 19.171 1.00 0.00 H new ATOM 0 HB2 GLN A 10 0.876 4.064 20.548 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -0.368 3.850 19.332 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -0.699 1.610 19.848 1.00 0.00 H new ATOM 0 HG3 GLN A 10 0.931 1.390 20.453 1.00 0.00 H new ATOM 0 HE21 GLN A 10 1.398 1.709 22.607 1.00 0.00 H new ATOM 0 HE22 GLN A 10 0.176 2.141 23.808 1.00 0.00 H new ATOM 174 N ILE A 11 -0.132 2.485 17.149 1.00 0.00 N ATOM 175 CA ILE A 11 -0.714 1.648 16.108 1.00 0.00 C ATOM 176 C ILE A 11 -1.083 2.465 14.871 1.00 0.00 C ATOM 177 O ILE A 11 -1.515 1.913 13.859 1.00 0.00 O ATOM 178 CB ILE A 11 -1.950 0.896 16.625 1.00 0.00 C ATOM 179 CG1 ILE A 11 -2.461 -0.097 15.568 1.00 0.00 C ATOM 180 CG2 ILE A 11 -3.031 1.883 17.041 1.00 0.00 C ATOM 181 CD1 ILE A 11 -3.625 0.408 14.738 1.00 0.00 C ATOM 0 H ILE A 11 -0.735 3.243 17.469 1.00 0.00 H new ATOM 0 HA ILE A 11 0.046 0.920 15.825 1.00 0.00 H new ATOM 0 HB ILE A 11 -1.670 0.318 17.506 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -1.638 -0.351 14.900 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -2.761 -1.018 16.068 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -3.901 1.337 17.405 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -2.650 2.528 17.833 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -3.317 2.492 16.183 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -3.919 -0.357 14.020 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -4.467 0.634 15.392 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -3.327 1.311 14.205 1.00 0.00 H new ATOM 193 N TYR A 12 -0.869 3.781 14.942 1.00 0.00 N ATOM 194 CA TYR A 12 -1.136 4.671 13.811 1.00 0.00 C ATOM 195 C TYR A 12 -2.512 4.400 13.208 1.00 0.00 C ATOM 196 O TYR A 12 -2.657 3.572 12.309 1.00 0.00 O ATOM 197 CB TYR A 12 -0.038 4.516 12.740 1.00 0.00 C ATOM 198 CG TYR A 12 0.858 3.309 12.955 1.00 0.00 C ATOM 199 CD1 TYR A 12 1.535 3.129 14.157 1.00 0.00 C ATOM 200 CD2 TYR A 12 0.998 2.334 11.976 1.00 0.00 C ATOM 201 CE1 TYR A 12 2.320 2.020 14.378 1.00 0.00 C ATOM 202 CE2 TYR A 12 1.790 1.220 12.187 1.00 0.00 C ATOM 203 CZ TYR A 12 2.448 1.067 13.390 1.00 0.00 C ATOM 204 OH TYR A 12 3.231 -0.043 13.606 1.00 0.00 O ATOM 0 H TYR A 12 -0.511 4.254 15.772 1.00 0.00 H new ATOM 0 HA TYR A 12 -1.128 5.697 14.178 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -0.508 4.439 11.759 1.00 0.00 H new ATOM 0 HB3 TYR A 12 0.576 5.416 12.729 1.00 0.00 H new ATOM 0 HD1 TYR A 12 1.443 3.875 14.933 1.00 0.00 H new ATOM 0 HD2 TYR A 12 0.480 2.447 11.035 1.00 0.00 H new ATOM 0 HE1 TYR A 12 2.833 1.897 15.320 1.00 0.00 H new ATOM 0 HE2 TYR A 12 1.893 0.473 11.414 1.00 0.00 H new ATOM 0 HH TYR A 12 3.213 -0.616 12.811 1.00 0.00 H new ATOM 214 N GLY A 13 -3.517 5.104 13.716 1.00 0.00 N ATOM 215 CA GLY A 13 -4.872 4.930 13.228 1.00 0.00 C ATOM 216 C GLY A 13 -5.125 5.660 11.922 1.00 0.00 C ATOM 217 O GLY A 13 -5.710 5.098 10.996 1.00 0.00 O ATOM 0 H GLY A 13 -3.417 5.795 14.460 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -5.070 3.867 13.089 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -5.573 5.289 13.981 1.00 0.00 H new ATOM 221 N ILE A 14 -4.693 6.915 11.846 1.00 0.00 N ATOM 222 CA ILE A 14 -4.889 7.714 10.641 1.00 0.00 C ATOM 223 C ILE A 14 -4.231 7.055 9.433 1.00 0.00 C ATOM 224 O ILE A 14 -4.843 6.934 8.371 1.00 0.00 O ATOM 225 CB ILE A 14 -4.348 9.153 10.817 1.00 0.00 C ATOM 226 CG1 ILE A 14 -4.947 10.083 9.757 1.00 0.00 C ATOM 227 CG2 ILE A 14 -2.826 9.180 10.761 1.00 0.00 C ATOM 228 CD1 ILE A 14 -4.455 9.805 8.351 1.00 0.00 C ATOM 0 H ILE A 14 -4.207 7.399 12.601 1.00 0.00 H new ATOM 0 HA ILE A 14 -5.964 7.772 10.468 1.00 0.00 H new ATOM 0 HB ILE A 14 -4.650 9.510 11.802 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -6.033 9.990 9.777 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -4.711 11.115 10.017 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -2.475 10.204 10.888 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -2.421 8.557 11.559 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -2.491 8.798 9.797 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -4.923 10.503 7.657 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -3.373 9.927 8.314 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -4.715 8.785 8.070 1.00 0.00 H new ATOM 240 N GLU A 15 -2.986 6.620 9.600 1.00 0.00 N ATOM 241 CA GLU A 15 -2.263 5.963 8.519 1.00 0.00 C ATOM 242 C GLU A 15 -2.843 4.580 8.271 1.00 0.00 C ATOM 243 O GLU A 15 -2.993 4.154 7.127 1.00 0.00 O ATOM 244 CB GLU A 15 -0.771 5.865 8.852 1.00 0.00 C ATOM 245 CG GLU A 15 0.116 6.653 7.902 1.00 0.00 C ATOM 246 CD GLU A 15 1.244 7.371 8.617 1.00 0.00 C ATOM 247 OE1 GLU A 15 2.034 6.694 9.308 1.00 0.00 O ATOM 248 OE2 GLU A 15 1.336 8.609 8.487 1.00 0.00 O ATOM 0 H GLU A 15 -2.460 6.710 10.469 1.00 0.00 H new ATOM 0 HA GLU A 15 -2.373 6.558 7.613 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.610 6.224 9.869 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -0.471 4.817 8.832 1.00 0.00 H new ATOM 0 HG2 GLU A 15 0.535 5.977 7.157 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.491 7.382 7.365 1.00 0.00 H new ATOM 255 N GLY A 16 -3.187 3.891 9.352 1.00 0.00 N ATOM 256 CA GLY A 16 -3.771 2.573 9.225 1.00 0.00 C ATOM 257 C GLY A 16 -5.147 2.637 8.596 1.00 0.00 C ATOM 258 O GLY A 16 -5.588 1.685 7.953 1.00 0.00 O ATOM 0 H GLY A 16 -3.072 4.221 10.310 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -3.121 1.942 8.619 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -3.840 2.108 10.208 1.00 0.00 H new ATOM 262 N ARG A 17 -5.821 3.771 8.780 1.00 0.00 N ATOM 263 CA ARG A 17 -7.154 3.971 8.226 1.00 0.00 C ATOM 264 C ARG A 17 -7.118 3.956 6.701 1.00 0.00 C ATOM 265 O ARG A 17 -8.092 3.572 6.054 1.00 0.00 O ATOM 266 CB ARG A 17 -7.740 5.294 8.720 1.00 0.00 C ATOM 267 CG ARG A 17 -9.230 5.438 8.453 1.00 0.00 C ATOM 268 CD ARG A 17 -9.662 6.895 8.470 1.00 0.00 C ATOM 269 NE ARG A 17 -9.759 7.453 7.123 1.00 0.00 N ATOM 270 CZ ARG A 17 -10.420 8.571 6.831 1.00 0.00 C ATOM 271 NH1 ARG A 17 -11.041 9.253 7.786 1.00 0.00 N ATOM 272 NH2 ARG A 17 -10.459 9.010 5.580 1.00 0.00 N ATOM 0 H ARG A 17 -5.463 4.565 9.310 1.00 0.00 H new ATOM 0 HA ARG A 17 -7.788 3.151 8.564 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -7.561 5.383 9.792 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -7.212 6.118 8.239 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -9.471 4.997 7.486 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -9.791 4.883 9.205 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -10.628 6.981 8.968 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -8.949 7.478 9.053 1.00 0.00 H new ATOM 0 HE ARG A 17 -9.293 6.957 6.363 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -11.013 8.921 8.750 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -11.546 10.109 7.556 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -9.983 8.491 4.842 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -10.965 9.867 5.356 1.00 0.00 H new ATOM 286 N TYR A 18 -5.989 4.372 6.131 1.00 0.00 N ATOM 287 CA TYR A 18 -5.836 4.399 4.680 1.00 0.00 C ATOM 288 C TYR A 18 -6.111 3.026 4.089 1.00 0.00 C ATOM 289 O TYR A 18 -6.908 2.882 3.161 1.00 0.00 O ATOM 290 CB TYR A 18 -4.422 4.849 4.302 1.00 0.00 C ATOM 291 CG TYR A 18 -4.341 6.273 3.803 1.00 0.00 C ATOM 292 CD1 TYR A 18 -4.625 7.340 4.643 1.00 0.00 C ATOM 293 CD2 TYR A 18 -3.969 6.547 2.493 1.00 0.00 C ATOM 294 CE1 TYR A 18 -4.544 8.643 4.192 1.00 0.00 C ATOM 295 CE2 TYR A 18 -3.886 7.847 2.032 1.00 0.00 C ATOM 296 CZ TYR A 18 -4.174 8.892 2.886 1.00 0.00 C ATOM 297 OH TYR A 18 -4.092 10.188 2.432 1.00 0.00 O ATOM 0 H TYR A 18 -5.171 4.693 6.649 1.00 0.00 H new ATOM 0 HA TYR A 18 -6.557 5.109 4.275 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -3.774 4.743 5.172 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -4.034 4.183 3.532 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -4.914 7.149 5.666 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -3.741 5.731 1.824 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -4.769 9.463 4.858 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -3.598 8.044 1.010 1.00 0.00 H new ATOM 0 HH TYR A 18 -3.153 10.423 2.282 1.00 0.00 H new ATOM 307 N ALA A 19 -5.447 2.018 4.636 1.00 0.00 N ATOM 308 CA ALA A 19 -5.619 0.654 4.167 1.00 0.00 C ATOM 309 C ALA A 19 -7.004 0.134 4.519 1.00 0.00 C ATOM 310 O ALA A 19 -7.610 -0.607 3.748 1.00 0.00 O ATOM 311 CB ALA A 19 -4.542 -0.247 4.751 1.00 0.00 C ATOM 0 H ALA A 19 -4.785 2.121 5.405 1.00 0.00 H new ATOM 0 HA ALA A 19 -5.522 0.649 3.081 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -4.685 -1.266 4.390 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.560 0.113 4.443 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.608 -0.235 5.839 1.00 0.00 H new ATOM 317 N THR A 20 -7.506 0.530 5.683 1.00 0.00 N ATOM 318 CA THR A 20 -8.825 0.098 6.114 1.00 0.00 C ATOM 319 C THR A 20 -9.907 0.755 5.272 1.00 0.00 C ATOM 320 O THR A 20 -10.994 0.203 5.110 1.00 0.00 O ATOM 321 CB THR A 20 -9.047 0.391 7.597 1.00 0.00 C ATOM 322 OG1 THR A 20 -7.910 1.015 8.165 1.00 0.00 O ATOM 323 CG2 THR A 20 -9.334 -0.857 8.400 1.00 0.00 C ATOM 0 H THR A 20 -7.023 1.144 6.338 1.00 0.00 H new ATOM 0 HA THR A 20 -8.884 -0.981 5.973 1.00 0.00 H new ATOM 0 HB THR A 20 -9.914 1.050 7.641 1.00 0.00 H new ATOM 0 HG1 THR A 20 -7.105 0.509 7.925 1.00 0.00 H new ATOM 0 HG21 THR A 20 -9.483 -0.590 9.446 1.00 0.00 H new ATOM 0 HG22 THR A 20 -10.234 -1.338 8.016 1.00 0.00 H new ATOM 0 HG23 THR A 20 -8.492 -1.544 8.318 1.00 0.00 H new ATOM 331 N ALA A 21 -9.605 1.928 4.722 1.00 0.00 N ATOM 332 CA ALA A 21 -10.569 2.623 3.885 1.00 0.00 C ATOM 333 C ALA A 21 -10.464 2.162 2.437 1.00 0.00 C ATOM 334 O ALA A 21 -11.191 2.642 1.568 1.00 0.00 O ATOM 335 CB ALA A 21 -10.386 4.129 3.989 1.00 0.00 C ATOM 0 H ALA A 21 -8.713 2.409 4.840 1.00 0.00 H new ATOM 0 HA ALA A 21 -11.568 2.377 4.244 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -11.118 4.629 3.355 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -10.528 4.442 5.023 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -9.381 4.397 3.664 1.00 0.00 H new ATOM 341 N LEU A 22 -9.578 1.203 2.191 1.00 0.00 N ATOM 342 CA LEU A 22 -9.405 0.649 0.858 1.00 0.00 C ATOM 343 C LEU A 22 -9.726 -0.823 0.904 1.00 0.00 C ATOM 344 O LEU A 22 -10.419 -1.352 0.035 1.00 0.00 O ATOM 345 CB LEU A 22 -7.986 0.875 0.343 1.00 0.00 C ATOM 346 CG LEU A 22 -7.793 0.589 -1.146 1.00 0.00 C ATOM 347 CD1 LEU A 22 -6.933 1.665 -1.791 1.00 0.00 C ATOM 348 CD2 LEU A 22 -7.180 -0.788 -1.349 1.00 0.00 C ATOM 0 H LEU A 22 -8.969 0.794 2.900 1.00 0.00 H new ATOM 0 HA LEU A 22 -10.081 1.155 0.168 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -7.703 1.909 0.540 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -7.303 0.244 0.912 1.00 0.00 H new ATOM 0 HG LEU A 22 -8.770 0.602 -1.629 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -6.807 1.443 -2.851 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -7.418 2.635 -1.678 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -5.957 1.689 -1.307 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -7.050 -0.975 -2.415 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -6.211 -0.832 -0.852 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -7.839 -1.546 -0.926 1.00 0.00 H new ATOM 360 N TYR A 23 -9.256 -1.473 1.953 1.00 0.00 N ATOM 361 CA TYR A 23 -9.534 -2.867 2.141 1.00 0.00 C ATOM 362 C TYR A 23 -10.955 -3.018 2.676 1.00 0.00 C ATOM 363 O TYR A 23 -11.530 -4.099 2.610 1.00 0.00 O ATOM 364 CB TYR A 23 -8.503 -3.500 3.078 1.00 0.00 C ATOM 365 CG TYR A 23 -9.086 -4.056 4.351 1.00 0.00 C ATOM 366 CD1 TYR A 23 -9.832 -5.221 4.332 1.00 0.00 C ATOM 367 CD2 TYR A 23 -8.909 -3.408 5.560 1.00 0.00 C ATOM 368 CE1 TYR A 23 -10.384 -5.735 5.485 1.00 0.00 C ATOM 369 CE2 TYR A 23 -9.457 -3.906 6.719 1.00 0.00 C ATOM 370 CZ TYR A 23 -10.192 -5.072 6.681 1.00 0.00 C ATOM 371 OH TYR A 23 -10.742 -5.570 7.837 1.00 0.00 O ATOM 0 H TYR A 23 -8.681 -1.050 2.682 1.00 0.00 H new ATOM 0 HA TYR A 23 -9.461 -3.393 1.189 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -7.989 -4.301 2.547 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -7.752 -2.752 3.332 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -9.985 -5.737 3.396 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -8.331 -2.496 5.595 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -10.961 -6.647 5.454 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -9.312 -3.386 7.655 1.00 0.00 H new ATOM 0 HH TYR A 23 -10.401 -5.066 8.605 1.00 0.00 H new ATOM 381 N SER A 24 -11.542 -1.919 3.186 1.00 0.00 N ATOM 382 CA SER A 24 -12.911 -1.973 3.685 1.00 0.00 C ATOM 383 C SER A 24 -13.792 -2.628 2.630 1.00 0.00 C ATOM 384 O SER A 24 -14.690 -3.410 2.943 1.00 0.00 O ATOM 385 CB SER A 24 -13.422 -0.574 4.021 1.00 0.00 C ATOM 386 OG SER A 24 -12.872 0.396 3.147 1.00 0.00 O ATOM 0 H SER A 24 -11.094 -1.006 3.259 1.00 0.00 H new ATOM 0 HA SER A 24 -12.940 -2.562 4.602 1.00 0.00 H new ATOM 0 HB2 SER A 24 -14.510 -0.555 3.952 1.00 0.00 H new ATOM 0 HB3 SER A 24 -13.164 -0.327 5.051 1.00 0.00 H new ATOM 0 HG SER A 24 -13.217 1.282 3.383 1.00 0.00 H new ATOM 392 N ALA A 25 -13.475 -2.340 1.370 1.00 0.00 N ATOM 393 CA ALA A 25 -14.178 -2.937 0.248 1.00 0.00 C ATOM 394 C ALA A 25 -13.649 -4.344 0.050 1.00 0.00 C ATOM 395 O ALA A 25 -14.398 -5.275 -0.251 1.00 0.00 O ATOM 396 CB ALA A 25 -13.991 -2.104 -1.011 1.00 0.00 C ATOM 0 H ALA A 25 -12.732 -1.694 1.104 1.00 0.00 H new ATOM 0 HA ALA A 25 -15.247 -2.971 0.456 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -14.526 -2.570 -1.838 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -14.383 -1.100 -0.845 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -12.930 -2.044 -1.253 1.00 0.00 H new ATOM 402 N ALA A 26 -12.342 -4.487 0.253 1.00 0.00 N ATOM 403 CA ALA A 26 -11.683 -5.779 0.133 1.00 0.00 C ATOM 404 C ALA A 26 -12.278 -6.785 1.114 1.00 0.00 C ATOM 405 O ALA A 26 -12.486 -7.946 0.771 1.00 0.00 O ATOM 406 CB ALA A 26 -10.189 -5.631 0.382 1.00 0.00 C ATOM 0 H ALA A 26 -11.719 -3.719 0.502 1.00 0.00 H new ATOM 0 HA ALA A 26 -11.841 -6.150 -0.880 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -9.707 -6.604 0.290 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -9.764 -4.944 -0.350 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -10.025 -5.238 1.385 1.00 0.00 H new ATOM 412 N SER A 27 -12.547 -6.329 2.335 1.00 0.00 N ATOM 413 CA SER A 27 -13.120 -7.186 3.367 1.00 0.00 C ATOM 414 C SER A 27 -14.458 -7.752 2.905 1.00 0.00 C ATOM 415 O SER A 27 -14.695 -8.958 2.981 1.00 0.00 O ATOM 416 CB SER A 27 -13.302 -6.397 4.669 1.00 0.00 C ATOM 417 OG SER A 27 -14.651 -6.002 4.854 1.00 0.00 O ATOM 0 H SER A 27 -12.377 -5.369 2.633 1.00 0.00 H new ATOM 0 HA SER A 27 -12.436 -8.015 3.550 1.00 0.00 H new ATOM 0 HB2 SER A 27 -12.982 -7.008 5.513 1.00 0.00 H new ATOM 0 HB3 SER A 27 -12.662 -5.514 4.653 1.00 0.00 H new ATOM 0 HG SER A 27 -14.828 -5.189 4.336 1.00 0.00 H new ATOM 423 N LYS A 28 -15.330 -6.869 2.418 1.00 0.00 N ATOM 424 CA LYS A 28 -16.644 -7.278 1.933 1.00 0.00 C ATOM 425 C LYS A 28 -16.507 -8.426 0.941 1.00 0.00 C ATOM 426 O LYS A 28 -17.347 -9.325 0.892 1.00 0.00 O ATOM 427 CB LYS A 28 -17.359 -6.098 1.274 1.00 0.00 C ATOM 428 CG LYS A 28 -17.978 -5.129 2.269 1.00 0.00 C ATOM 429 CD LYS A 28 -18.126 -3.738 1.673 1.00 0.00 C ATOM 430 CE LYS A 28 -18.917 -2.821 2.591 1.00 0.00 C ATOM 431 NZ LYS A 28 -19.640 -1.764 1.831 1.00 0.00 N ATOM 0 H LYS A 28 -15.149 -5.868 2.350 1.00 0.00 H new ATOM 0 HA LYS A 28 -17.237 -7.616 2.783 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -16.649 -5.558 0.647 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -18.140 -6.479 0.616 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -18.955 -5.499 2.579 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -17.358 -5.079 3.164 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -17.139 -3.311 1.493 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -18.625 -3.806 0.707 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -19.633 -3.410 3.164 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -18.242 -2.355 3.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -20.167 -1.160 2.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -18.955 -1.185 1.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -20.303 -2.208 1.164 1.00 0.00 H new ATOM 445 N GLN A 29 -15.430 -8.394 0.163 1.00 0.00 N ATOM 446 CA GLN A 29 -15.167 -9.436 -0.817 1.00 0.00 C ATOM 447 C GLN A 29 -14.425 -10.595 -0.161 1.00 0.00 C ATOM 448 O GLN A 29 -14.705 -11.759 -0.443 1.00 0.00 O ATOM 449 CB GLN A 29 -14.347 -8.880 -1.982 1.00 0.00 C ATOM 450 CG GLN A 29 -15.197 -8.343 -3.122 1.00 0.00 C ATOM 451 CD GLN A 29 -14.384 -8.049 -4.367 1.00 0.00 C ATOM 452 OE1 GLN A 29 -14.590 -8.658 -5.417 1.00 0.00 O ATOM 453 NE2 GLN A 29 -13.451 -7.110 -4.256 1.00 0.00 N ATOM 0 H GLN A 29 -14.726 -7.656 0.194 1.00 0.00 H new ATOM 0 HA GLN A 29 -16.120 -9.798 -1.204 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -13.702 -8.082 -1.614 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -13.695 -9.666 -2.364 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -15.975 -9.068 -3.363 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -15.700 -7.432 -2.797 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -13.314 -6.630 -3.367 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -12.872 -6.869 -5.060 1.00 0.00 H new ATOM 462 N ASN A 30 -13.468 -10.254 0.708 1.00 0.00 N ATOM 463 CA ASN A 30 -12.655 -11.241 1.420 1.00 0.00 C ATOM 464 C ASN A 30 -11.355 -11.465 0.673 1.00 0.00 C ATOM 465 O ASN A 30 -10.816 -12.572 0.648 1.00 0.00 O ATOM 466 CB ASN A 30 -13.397 -12.570 1.601 1.00 0.00 C ATOM 467 CG ASN A 30 -12.820 -13.407 2.725 1.00 0.00 C ATOM 468 OD1 ASN A 30 -13.278 -13.338 3.866 1.00 0.00 O ATOM 469 ND2 ASN A 30 -11.805 -14.204 2.409 1.00 0.00 N ATOM 0 H ASN A 30 -13.237 -9.287 0.936 1.00 0.00 H new ATOM 0 HA ASN A 30 -12.445 -10.848 2.415 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -14.449 -12.371 1.804 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -13.354 -13.137 0.671 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -11.374 -14.790 3.125 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -11.456 -14.230 1.451 1.00 0.00 H new ATOM 476 N LYS A 31 -10.862 -10.398 0.058 1.00 0.00 N ATOM 477 CA LYS A 31 -9.631 -10.460 -0.703 1.00 0.00 C ATOM 478 C LYS A 31 -8.459 -9.898 0.093 1.00 0.00 C ATOM 479 O LYS A 31 -7.428 -9.552 -0.481 1.00 0.00 O ATOM 480 CB LYS A 31 -9.784 -9.700 -2.018 1.00 0.00 C ATOM 481 CG LYS A 31 -10.934 -10.198 -2.878 1.00 0.00 C ATOM 482 CD LYS A 31 -10.450 -11.151 -3.959 1.00 0.00 C ATOM 483 CE LYS A 31 -9.966 -10.399 -5.188 1.00 0.00 C ATOM 484 NZ LYS A 31 -10.290 -11.126 -6.446 1.00 0.00 N ATOM 0 H LYS A 31 -11.301 -9.478 0.074 1.00 0.00 H new ATOM 0 HA LYS A 31 -9.422 -11.508 -0.918 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -9.935 -8.642 -1.801 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -8.856 -9.780 -2.585 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -11.668 -10.702 -2.249 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -11.439 -9.349 -3.339 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -9.641 -11.768 -3.567 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -11.259 -11.826 -4.239 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -10.423 -9.410 -5.212 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -8.888 -10.250 -5.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -9.944 -10.581 -7.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -9.833 -12.060 -6.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -11.320 -11.246 -6.522 1.00 0.00 H new ATOM 498 N LEU A 32 -8.608 -9.821 1.419 1.00 0.00 N ATOM 499 CA LEU A 32 -7.544 -9.321 2.279 1.00 0.00 C ATOM 500 C LEU A 32 -6.199 -9.923 1.877 1.00 0.00 C ATOM 501 O LEU A 32 -5.154 -9.307 2.061 1.00 0.00 O ATOM 502 CB LEU A 32 -7.864 -9.651 3.738 1.00 0.00 C ATOM 503 CG LEU A 32 -8.879 -8.717 4.407 1.00 0.00 C ATOM 504 CD1 LEU A 32 -8.156 -7.649 5.213 1.00 0.00 C ATOM 505 CD2 LEU A 32 -9.798 -8.080 3.370 1.00 0.00 C ATOM 0 H LEU A 32 -9.455 -10.099 1.914 1.00 0.00 H new ATOM 0 HA LEU A 32 -7.477 -8.239 2.165 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -8.244 -10.671 3.789 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -6.938 -9.627 4.312 1.00 0.00 H new ATOM 0 HG LEU A 32 -9.497 -9.307 5.084 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -8.887 -6.991 5.684 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -7.547 -8.124 5.982 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -7.516 -7.065 4.552 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -10.509 -7.422 3.869 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -9.203 -7.502 2.663 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -10.340 -8.860 2.836 1.00 0.00 H new ATOM 517 N GLU A 33 -6.238 -11.122 1.305 1.00 0.00 N ATOM 518 CA GLU A 33 -5.023 -11.793 0.856 1.00 0.00 C ATOM 519 C GLU A 33 -4.476 -11.121 -0.402 1.00 0.00 C ATOM 520 O GLU A 33 -3.265 -10.978 -0.564 1.00 0.00 O ATOM 521 CB GLU A 33 -5.302 -13.272 0.581 1.00 0.00 C ATOM 522 CG GLU A 33 -6.296 -13.503 -0.547 1.00 0.00 C ATOM 523 CD GLU A 33 -6.535 -14.975 -0.818 1.00 0.00 C ATOM 524 OE1 GLU A 33 -5.663 -15.614 -1.443 1.00 0.00 O ATOM 525 OE2 GLU A 33 -7.596 -15.490 -0.407 1.00 0.00 O ATOM 0 H GLU A 33 -7.096 -11.648 1.142 1.00 0.00 H new ATOM 0 HA GLU A 33 -4.276 -11.717 1.646 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -4.364 -13.771 0.336 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -5.682 -13.737 1.491 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -7.243 -13.025 -0.296 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -5.928 -13.025 -1.455 1.00 0.00 H new ATOM 532 N GLN A 34 -5.380 -10.705 -1.284 1.00 0.00 N ATOM 533 CA GLN A 34 -4.997 -10.039 -2.528 1.00 0.00 C ATOM 534 C GLN A 34 -4.757 -8.547 -2.309 1.00 0.00 C ATOM 535 O GLN A 34 -4.357 -7.836 -3.231 1.00 0.00 O ATOM 536 CB GLN A 34 -6.076 -10.245 -3.594 1.00 0.00 C ATOM 537 CG GLN A 34 -5.641 -11.159 -4.730 1.00 0.00 C ATOM 538 CD GLN A 34 -5.383 -10.407 -6.022 1.00 0.00 C ATOM 539 OE1 GLN A 34 -6.255 -10.319 -6.886 1.00 0.00 O ATOM 540 NE2 GLN A 34 -4.180 -9.860 -6.160 1.00 0.00 N ATOM 0 H GLN A 34 -6.386 -10.817 -1.161 1.00 0.00 H new ATOM 0 HA GLN A 34 -4.064 -10.485 -2.871 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -6.966 -10.663 -3.123 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -6.358 -9.276 -4.006 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -4.735 -11.690 -4.437 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -6.411 -11.912 -4.900 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -3.487 -9.958 -5.418 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -3.949 -9.342 -7.008 1.00 0.00 H new ATOM 549 N VAL A 35 -5.003 -8.075 -1.091 1.00 0.00 N ATOM 550 CA VAL A 35 -4.808 -6.664 -0.772 1.00 0.00 C ATOM 551 C VAL A 35 -3.764 -6.484 0.327 1.00 0.00 C ATOM 552 O VAL A 35 -3.059 -5.476 0.368 1.00 0.00 O ATOM 553 CB VAL A 35 -6.130 -5.983 -0.335 1.00 0.00 C ATOM 554 CG1 VAL A 35 -6.173 -4.548 -0.832 1.00 0.00 C ATOM 555 CG2 VAL A 35 -7.357 -6.759 -0.824 1.00 0.00 C ATOM 0 H VAL A 35 -5.336 -8.644 -0.313 1.00 0.00 H new ATOM 0 HA VAL A 35 -4.455 -6.186 -1.686 1.00 0.00 H new ATOM 0 HB VAL A 35 -6.158 -5.981 0.755 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -7.107 -4.082 -0.518 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -5.332 -3.993 -0.415 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -6.111 -4.538 -1.920 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -8.264 -6.250 -0.497 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -7.343 -6.813 -1.913 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -7.338 -7.767 -0.410 1.00 0.00 H new ATOM 565 N GLU A 36 -3.658 -7.475 1.202 1.00 0.00 N ATOM 566 CA GLU A 36 -2.686 -7.438 2.288 1.00 0.00 C ATOM 567 C GLU A 36 -1.358 -7.972 1.789 1.00 0.00 C ATOM 568 O GLU A 36 -0.300 -7.406 2.065 1.00 0.00 O ATOM 569 CB GLU A 36 -3.161 -8.269 3.483 1.00 0.00 C ATOM 570 CG GLU A 36 -2.449 -7.928 4.781 1.00 0.00 C ATOM 571 CD GLU A 36 -3.048 -8.638 5.979 1.00 0.00 C ATOM 572 OE1 GLU A 36 -4.261 -8.935 5.946 1.00 0.00 O ATOM 573 OE2 GLU A 36 -2.306 -8.897 6.949 1.00 0.00 O ATOM 0 H GLU A 36 -4.234 -8.316 1.181 1.00 0.00 H new ATOM 0 HA GLU A 36 -2.573 -6.405 2.617 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -4.233 -8.120 3.616 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -3.011 -9.326 3.263 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -1.396 -8.195 4.694 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -2.492 -6.851 4.943 1.00 0.00 H new ATOM 580 N LYS A 37 -1.427 -9.058 1.026 1.00 0.00 N ATOM 581 CA LYS A 37 -0.233 -9.655 0.460 1.00 0.00 C ATOM 582 C LYS A 37 0.402 -8.670 -0.499 1.00 0.00 C ATOM 583 O LYS A 37 1.626 -8.564 -0.577 1.00 0.00 O ATOM 584 CB LYS A 37 -0.564 -10.964 -0.260 1.00 0.00 C ATOM 585 CG LYS A 37 0.662 -11.785 -0.623 1.00 0.00 C ATOM 586 CD LYS A 37 1.338 -12.354 0.614 1.00 0.00 C ATOM 587 CE LYS A 37 2.851 -12.374 0.463 1.00 0.00 C ATOM 588 NZ LYS A 37 3.533 -12.728 1.738 1.00 0.00 N ATOM 0 H LYS A 37 -2.295 -9.538 0.789 1.00 0.00 H new ATOM 0 HA LYS A 37 0.466 -9.888 1.264 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -1.217 -11.563 0.375 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -1.122 -10.738 -1.169 1.00 0.00 H new ATOM 0 HG2 LYS A 37 0.372 -12.599 -1.287 1.00 0.00 H new ATOM 0 HG3 LYS A 37 1.369 -11.162 -1.171 1.00 0.00 H new ATOM 0 HD2 LYS A 37 1.066 -11.758 1.485 1.00 0.00 H new ATOM 0 HD3 LYS A 37 0.976 -13.366 0.795 1.00 0.00 H new ATOM 0 HE2 LYS A 37 3.129 -13.092 -0.309 1.00 0.00 H new ATOM 0 HE3 LYS A 37 3.195 -11.396 0.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 4.527 -12.426 1.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 3.059 -12.249 2.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 3.490 -13.757 1.881 1.00 0.00 H new ATOM 602 N GLU A 38 -0.438 -7.920 -1.207 1.00 0.00 N ATOM 603 CA GLU A 38 0.056 -6.919 -2.123 1.00 0.00 C ATOM 604 C GLU A 38 0.682 -5.783 -1.332 1.00 0.00 C ATOM 605 O GLU A 38 1.832 -5.415 -1.562 1.00 0.00 O ATOM 606 CB GLU A 38 -1.084 -6.406 -2.996 1.00 0.00 C ATOM 607 CG GLU A 38 -1.255 -7.184 -4.290 1.00 0.00 C ATOM 608 CD GLU A 38 -1.424 -8.671 -4.053 1.00 0.00 C ATOM 609 OE1 GLU A 38 -0.449 -9.317 -3.614 1.00 0.00 O ATOM 610 OE2 GLU A 38 -2.532 -9.190 -4.304 1.00 0.00 O ATOM 0 H GLU A 38 -1.454 -7.992 -1.159 1.00 0.00 H new ATOM 0 HA GLU A 38 0.813 -7.356 -2.774 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -2.014 -6.451 -2.429 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -0.906 -5.357 -3.233 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.124 -6.804 -4.827 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -0.387 -7.017 -4.928 1.00 0.00 H new ATOM 617 N LEU A 39 -0.076 -5.241 -0.381 1.00 0.00 N ATOM 618 CA LEU A 39 0.410 -4.152 0.461 1.00 0.00 C ATOM 619 C LEU A 39 1.799 -4.466 1.005 1.00 0.00 C ATOM 620 O LEU A 39 2.612 -3.565 1.211 1.00 0.00 O ATOM 621 CB LEU A 39 -0.563 -3.899 1.616 1.00 0.00 C ATOM 622 CG LEU A 39 -1.613 -2.819 1.351 1.00 0.00 C ATOM 623 CD1 LEU A 39 -2.877 -3.098 2.150 1.00 0.00 C ATOM 624 CD2 LEU A 39 -1.058 -1.443 1.689 1.00 0.00 C ATOM 0 H LEU A 39 -1.029 -5.539 -0.175 1.00 0.00 H new ATOM 0 HA LEU A 39 0.475 -3.252 -0.150 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.075 -4.832 1.851 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.010 -3.618 2.500 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.867 -2.836 0.291 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -3.613 -2.320 1.949 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -3.284 -4.067 1.860 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -2.640 -3.108 3.214 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.818 -0.686 1.495 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.777 -1.413 2.742 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.181 -1.243 1.073 1.00 0.00 H new ATOM 636 N LEU A 40 2.069 -5.750 1.228 1.00 0.00 N ATOM 637 CA LEU A 40 3.369 -6.171 1.735 1.00 0.00 C ATOM 638 C LEU A 40 4.479 -5.758 0.772 1.00 0.00 C ATOM 639 O LEU A 40 5.628 -5.576 1.171 1.00 0.00 O ATOM 640 CB LEU A 40 3.395 -7.686 1.948 1.00 0.00 C ATOM 641 CG LEU A 40 4.286 -8.164 3.095 1.00 0.00 C ATOM 642 CD1 LEU A 40 3.607 -7.923 4.433 1.00 0.00 C ATOM 643 CD2 LEU A 40 4.627 -9.637 2.924 1.00 0.00 C ATOM 0 H LEU A 40 1.409 -6.511 1.066 1.00 0.00 H new ATOM 0 HA LEU A 40 3.538 -5.679 2.693 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.377 -8.029 2.132 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.730 -8.161 1.026 1.00 0.00 H new ATOM 0 HG LEU A 40 5.214 -7.592 3.074 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.256 -8.269 5.238 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.413 -6.857 4.556 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.664 -8.469 4.466 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.262 -9.962 3.749 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.709 -10.225 2.919 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.155 -9.781 1.981 1.00 0.00 H new ATOM 655 N ARG A 41 4.121 -5.609 -0.501 1.00 0.00 N ATOM 656 CA ARG A 41 5.077 -5.212 -1.525 1.00 0.00 C ATOM 657 C ARG A 41 5.524 -3.768 -1.319 1.00 0.00 C ATOM 658 O ARG A 41 6.719 -3.486 -1.255 1.00 0.00 O ATOM 659 CB ARG A 41 4.465 -5.382 -2.917 1.00 0.00 C ATOM 660 CG ARG A 41 4.376 -6.830 -3.371 1.00 0.00 C ATOM 661 CD ARG A 41 5.749 -7.403 -3.679 1.00 0.00 C ATOM 662 NE ARG A 41 5.710 -8.851 -3.866 1.00 0.00 N ATOM 663 CZ ARG A 41 5.660 -9.727 -2.864 1.00 0.00 C ATOM 664 NH1 ARG A 41 5.643 -9.305 -1.605 1.00 0.00 N ATOM 665 NH2 ARG A 41 5.625 -11.027 -3.121 1.00 0.00 N ATOM 0 H ARG A 41 3.173 -5.758 -0.846 1.00 0.00 H new ATOM 0 HA ARG A 41 5.952 -5.857 -1.443 1.00 0.00 H new ATOM 0 HB2 ARG A 41 3.466 -4.947 -2.921 1.00 0.00 H new ATOM 0 HB3 ARG A 41 5.060 -4.820 -3.637 1.00 0.00 H new ATOM 0 HG2 ARG A 41 3.897 -7.427 -2.595 1.00 0.00 H new ATOM 0 HG3 ARG A 41 3.746 -6.896 -4.258 1.00 0.00 H new ATOM 0 HD2 ARG A 41 6.144 -6.932 -4.579 1.00 0.00 H new ATOM 0 HD3 ARG A 41 6.433 -7.161 -2.866 1.00 0.00 H new ATOM 0 HE ARG A 41 5.722 -9.212 -4.820 1.00 0.00 H new ATOM 0 HH11 ARG A 41 5.668 -8.306 -1.402 1.00 0.00 H new ATOM 0 HH12 ARG A 41 5.605 -9.980 -0.841 1.00 0.00 H new ATOM 0 HH21 ARG A 41 5.636 -11.357 -4.086 1.00 0.00 H new ATOM 0 HH22 ARG A 41 5.587 -11.698 -2.354 1.00 0.00 H new ATOM 679 N VAL A 42 4.559 -2.856 -1.209 1.00 0.00 N ATOM 680 CA VAL A 42 4.868 -1.445 -1.004 1.00 0.00 C ATOM 681 C VAL A 42 5.751 -1.261 0.228 1.00 0.00 C ATOM 682 O VAL A 42 6.566 -0.341 0.289 1.00 0.00 O ATOM 683 CB VAL A 42 3.587 -0.599 -0.845 1.00 0.00 C ATOM 684 CG1 VAL A 42 3.928 0.878 -0.712 1.00 0.00 C ATOM 685 CG2 VAL A 42 2.646 -0.823 -2.019 1.00 0.00 C ATOM 0 H VAL A 42 3.563 -3.069 -1.258 1.00 0.00 H new ATOM 0 HA VAL A 42 5.402 -1.101 -1.890 1.00 0.00 H new ATOM 0 HB VAL A 42 3.083 -0.918 0.067 1.00 0.00 H new ATOM 0 HG11 VAL A 42 3.010 1.455 -0.601 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.559 1.028 0.164 1.00 0.00 H new ATOM 0 HG13 VAL A 42 4.460 1.210 -1.604 1.00 0.00 H new ATOM 0 HG21 VAL A 42 1.749 -0.217 -1.887 1.00 0.00 H new ATOM 0 HG22 VAL A 42 3.145 -0.536 -2.945 1.00 0.00 H new ATOM 0 HG23 VAL A 42 2.369 -1.876 -2.067 1.00 0.00 H new ATOM 695 N GLY A 43 5.587 -2.148 1.205 1.00 0.00 N ATOM 696 CA GLY A 43 6.381 -2.071 2.415 1.00 0.00 C ATOM 697 C GLY A 43 7.828 -2.448 2.173 1.00 0.00 C ATOM 698 O GLY A 43 8.742 -1.761 2.632 1.00 0.00 O ATOM 0 H GLY A 43 4.918 -2.918 1.179 1.00 0.00 H new ATOM 0 HA2 GLY A 43 6.333 -1.058 2.816 1.00 0.00 H new ATOM 0 HA3 GLY A 43 5.956 -2.733 3.170 1.00 0.00 H new ATOM 702 N GLN A 44 8.037 -3.540 1.444 1.00 0.00 N ATOM 703 CA GLN A 44 9.382 -4.005 1.133 1.00 0.00 C ATOM 704 C GLN A 44 10.100 -2.997 0.242 1.00 0.00 C ATOM 705 O GLN A 44 11.318 -2.835 0.326 1.00 0.00 O ATOM 706 CB GLN A 44 9.328 -5.369 0.443 1.00 0.00 C ATOM 707 CG GLN A 44 10.449 -6.306 0.861 1.00 0.00 C ATOM 708 CD GLN A 44 10.784 -7.327 -0.210 1.00 0.00 C ATOM 709 OE1 GLN A 44 11.724 -7.145 -0.983 1.00 0.00 O ATOM 710 NE2 GLN A 44 10.015 -8.407 -0.259 1.00 0.00 N ATOM 0 H GLN A 44 7.291 -4.119 1.058 1.00 0.00 H new ATOM 0 HA GLN A 44 9.936 -4.105 2.066 1.00 0.00 H new ATOM 0 HB2 GLN A 44 8.370 -5.841 0.663 1.00 0.00 H new ATOM 0 HB3 GLN A 44 9.371 -5.223 -0.636 1.00 0.00 H new ATOM 0 HG2 GLN A 44 11.339 -5.721 1.092 1.00 0.00 H new ATOM 0 HG3 GLN A 44 10.162 -6.825 1.776 1.00 0.00 H new ATOM 0 HE21 GLN A 44 9.246 -8.516 0.402 1.00 0.00 H new ATOM 0 HE22 GLN A 44 10.193 -9.128 -0.958 1.00 0.00 H new ATOM 719 N ILE A 45 9.334 -2.318 -0.605 1.00 0.00 N ATOM 720 CA ILE A 45 9.891 -1.320 -1.509 1.00 0.00 C ATOM 721 C ILE A 45 10.453 -0.138 -0.727 1.00 0.00 C ATOM 722 O ILE A 45 11.583 0.291 -0.961 1.00 0.00 O ATOM 723 CB ILE A 45 8.826 -0.819 -2.509 1.00 0.00 C ATOM 724 CG1 ILE A 45 8.264 -1.993 -3.314 1.00 0.00 C ATOM 725 CG2 ILE A 45 9.408 0.232 -3.447 1.00 0.00 C ATOM 726 CD1 ILE A 45 6.848 -1.771 -3.796 1.00 0.00 C ATOM 0 H ILE A 45 8.325 -2.441 -0.684 1.00 0.00 H new ATOM 0 HA ILE A 45 10.698 -1.796 -2.066 1.00 0.00 H new ATOM 0 HB ILE A 45 8.018 -0.358 -1.942 1.00 0.00 H new ATOM 0 HG12 ILE A 45 8.908 -2.175 -4.174 1.00 0.00 H new ATOM 0 HG13 ILE A 45 8.293 -2.892 -2.699 1.00 0.00 H new ATOM 0 HG21 ILE A 45 8.637 0.568 -4.141 1.00 0.00 H new ATOM 0 HG22 ILE A 45 9.767 1.081 -2.865 1.00 0.00 H new ATOM 0 HG23 ILE A 45 10.237 -0.200 -4.007 1.00 0.00 H new ATOM 0 HD11 ILE A 45 6.514 -2.643 -4.359 1.00 0.00 H new ATOM 0 HD12 ILE A 45 6.192 -1.619 -2.939 1.00 0.00 H new ATOM 0 HD13 ILE A 45 6.816 -0.891 -4.438 1.00 0.00 H new ATOM 738 N LEU A 46 9.665 0.380 0.208 1.00 0.00 N ATOM 739 CA LEU A 46 10.100 1.506 1.023 1.00 0.00 C ATOM 740 C LEU A 46 11.143 1.058 2.039 1.00 0.00 C ATOM 741 O LEU A 46 12.028 1.826 2.415 1.00 0.00 O ATOM 742 CB LEU A 46 8.905 2.151 1.730 1.00 0.00 C ATOM 743 CG LEU A 46 8.752 3.656 1.493 1.00 0.00 C ATOM 744 CD1 LEU A 46 8.861 3.978 0.009 1.00 0.00 C ATOM 745 CD2 LEU A 46 7.427 4.152 2.054 1.00 0.00 C ATOM 0 H LEU A 46 8.727 0.040 0.419 1.00 0.00 H new ATOM 0 HA LEU A 46 10.554 2.249 0.368 1.00 0.00 H new ATOM 0 HB2 LEU A 46 7.994 1.652 1.401 1.00 0.00 H new ATOM 0 HB3 LEU A 46 8.996 1.974 2.802 1.00 0.00 H new ATOM 0 HG LEU A 46 9.559 4.170 2.014 1.00 0.00 H new ATOM 0 HD11 LEU A 46 8.750 5.052 -0.139 1.00 0.00 H new ATOM 0 HD12 LEU A 46 9.835 3.659 -0.362 1.00 0.00 H new ATOM 0 HD13 LEU A 46 8.076 3.453 -0.536 1.00 0.00 H new ATOM 0 HD21 LEU A 46 7.335 5.224 1.877 1.00 0.00 H new ATOM 0 HD22 LEU A 46 6.606 3.631 1.562 1.00 0.00 H new ATOM 0 HD23 LEU A 46 7.390 3.957 3.126 1.00 0.00 H new ATOM 757 N LYS A 47 11.043 -0.196 2.465 1.00 0.00 N ATOM 758 CA LYS A 47 11.989 -0.753 3.420 1.00 0.00 C ATOM 759 C LYS A 47 13.322 -1.032 2.735 1.00 0.00 C ATOM 760 O LYS A 47 14.375 -1.016 3.370 1.00 0.00 O ATOM 761 CB LYS A 47 11.434 -2.039 4.034 1.00 0.00 C ATOM 762 CG LYS A 47 12.200 -2.508 5.261 1.00 0.00 C ATOM 763 CD LYS A 47 12.241 -4.025 5.346 1.00 0.00 C ATOM 764 CE LYS A 47 11.125 -4.563 6.228 1.00 0.00 C ATOM 765 NZ LYS A 47 11.565 -5.742 7.024 1.00 0.00 N ATOM 0 H LYS A 47 10.316 -0.845 2.163 1.00 0.00 H new ATOM 0 HA LYS A 47 12.146 -0.027 4.218 1.00 0.00 H new ATOM 0 HB2 LYS A 47 10.390 -1.881 4.306 1.00 0.00 H new ATOM 0 HB3 LYS A 47 11.451 -2.828 3.282 1.00 0.00 H new ATOM 0 HG2 LYS A 47 13.217 -2.117 5.228 1.00 0.00 H new ATOM 0 HG3 LYS A 47 11.732 -2.105 6.159 1.00 0.00 H new ATOM 0 HD2 LYS A 47 12.153 -4.449 4.346 1.00 0.00 H new ATOM 0 HD3 LYS A 47 13.205 -4.343 5.743 1.00 0.00 H new ATOM 0 HE2 LYS A 47 10.784 -3.777 6.902 1.00 0.00 H new ATOM 0 HE3 LYS A 47 10.274 -4.842 5.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 10.776 -6.078 7.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 11.866 -6.502 6.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 12.361 -5.470 7.636 1.00 0.00 H new ATOM 779 N GLU A 48 13.262 -1.280 1.428 1.00 0.00 N ATOM 780 CA GLU A 48 14.457 -1.556 0.644 1.00 0.00 C ATOM 781 C GLU A 48 15.423 -0.372 0.699 1.00 0.00 C ATOM 782 O GLU A 48 15.145 0.684 0.134 1.00 0.00 O ATOM 783 CB GLU A 48 14.072 -1.847 -0.808 1.00 0.00 C ATOM 784 CG GLU A 48 13.955 -3.329 -1.121 1.00 0.00 C ATOM 785 CD GLU A 48 13.572 -3.592 -2.564 1.00 0.00 C ATOM 786 OE1 GLU A 48 14.171 -2.961 -3.461 1.00 0.00 O ATOM 787 OE2 GLU A 48 12.675 -4.428 -2.798 1.00 0.00 O ATOM 0 H GLU A 48 12.395 -1.295 0.891 1.00 0.00 H new ATOM 0 HA GLU A 48 14.954 -2.429 1.066 1.00 0.00 H new ATOM 0 HB2 GLU A 48 13.121 -1.362 -1.027 1.00 0.00 H new ATOM 0 HB3 GLU A 48 14.816 -1.402 -1.469 1.00 0.00 H new ATOM 0 HG2 GLU A 48 14.905 -3.818 -0.906 1.00 0.00 H new ATOM 0 HG3 GLU A 48 13.210 -3.778 -0.464 1.00 0.00 H new ATOM 794 N PRO A 49 16.571 -0.526 1.381 1.00 0.00 N ATOM 795 CA PRO A 49 17.564 0.548 1.497 1.00 0.00 C ATOM 796 C PRO A 49 18.012 1.074 0.138 1.00 0.00 C ATOM 797 O PRO A 49 18.434 2.224 0.015 1.00 0.00 O ATOM 798 CB PRO A 49 18.736 -0.119 2.225 1.00 0.00 C ATOM 799 CG PRO A 49 18.128 -1.269 2.952 1.00 0.00 C ATOM 800 CD PRO A 49 16.992 -1.747 2.092 1.00 0.00 C ATOM 0 HA PRO A 49 17.161 1.415 2.020 1.00 0.00 H new ATOM 0 HB2 PRO A 49 19.499 -0.454 1.522 1.00 0.00 H new ATOM 0 HB3 PRO A 49 19.219 0.574 2.914 1.00 0.00 H new ATOM 0 HG2 PRO A 49 18.859 -2.062 3.109 1.00 0.00 H new ATOM 0 HG3 PRO A 49 17.771 -0.964 3.936 1.00 0.00 H new ATOM 0 HD2 PRO A 49 17.311 -2.526 1.400 1.00 0.00 H new ATOM 0 HD3 PRO A 49 16.182 -2.164 2.690 1.00 0.00 H new ATOM 808 N LYS A 50 17.914 0.228 -0.882 1.00 0.00 N ATOM 809 CA LYS A 50 18.307 0.613 -2.233 1.00 0.00 C ATOM 810 C LYS A 50 17.140 1.255 -2.978 1.00 0.00 C ATOM 811 O LYS A 50 17.339 1.985 -3.951 1.00 0.00 O ATOM 812 CB LYS A 50 18.811 -0.608 -3.006 1.00 0.00 C ATOM 813 CG LYS A 50 19.845 -0.271 -4.067 1.00 0.00 C ATOM 814 CD LYS A 50 19.205 -0.098 -5.435 1.00 0.00 C ATOM 815 CE LYS A 50 19.110 -1.422 -6.176 1.00 0.00 C ATOM 816 NZ LYS A 50 20.226 -1.596 -7.146 1.00 0.00 N ATOM 0 H LYS A 50 17.566 -0.727 -0.799 1.00 0.00 H new ATOM 0 HA LYS A 50 19.111 1.345 -2.156 1.00 0.00 H new ATOM 0 HB2 LYS A 50 19.243 -1.320 -2.303 1.00 0.00 H new ATOM 0 HB3 LYS A 50 17.963 -1.103 -3.480 1.00 0.00 H new ATOM 0 HG2 LYS A 50 20.367 0.645 -3.790 1.00 0.00 H new ATOM 0 HG3 LYS A 50 20.593 -1.063 -4.112 1.00 0.00 H new ATOM 0 HD2 LYS A 50 18.209 0.329 -5.321 1.00 0.00 H new ATOM 0 HD3 LYS A 50 19.789 0.609 -6.024 1.00 0.00 H new ATOM 0 HE2 LYS A 50 19.122 -2.242 -5.458 1.00 0.00 H new ATOM 0 HE3 LYS A 50 18.158 -1.475 -6.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 20.125 -2.511 -7.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 20.200 -0.828 -7.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 21.134 -1.571 -6.639 1.00 0.00 H new ATOM 830 N MET A 51 15.923 0.980 -2.518 1.00 0.00 N ATOM 831 CA MET A 51 14.726 1.529 -3.143 1.00 0.00 C ATOM 832 C MET A 51 14.173 2.708 -2.344 1.00 0.00 C ATOM 833 O MET A 51 13.369 3.489 -2.854 1.00 0.00 O ATOM 834 CB MET A 51 13.658 0.442 -3.279 1.00 0.00 C ATOM 835 CG MET A 51 12.430 0.888 -4.053 1.00 0.00 C ATOM 836 SD MET A 51 12.835 1.545 -5.683 1.00 0.00 S ATOM 837 CE MET A 51 11.944 3.099 -5.653 1.00 0.00 C ATOM 0 H MET A 51 15.741 0.380 -1.714 1.00 0.00 H new ATOM 0 HA MET A 51 15.000 1.891 -4.134 1.00 0.00 H new ATOM 0 HB2 MET A 51 14.095 -0.424 -3.775 1.00 0.00 H new ATOM 0 HB3 MET A 51 13.352 0.119 -2.284 1.00 0.00 H new ATOM 0 HG2 MET A 51 11.750 0.044 -4.165 1.00 0.00 H new ATOM 0 HG3 MET A 51 11.901 1.650 -3.480 1.00 0.00 H new ATOM 0 HE1 MET A 51 12.195 3.679 -6.541 1.00 0.00 H new ATOM 0 HE2 MET A 51 10.872 2.903 -5.638 1.00 0.00 H new ATOM 0 HE3 MET A 51 12.223 3.661 -4.762 1.00 0.00 H new ATOM 847 N ALA A 52 14.605 2.836 -1.091 1.00 0.00 N ATOM 848 CA ALA A 52 14.145 3.922 -0.234 1.00 0.00 C ATOM 849 C ALA A 52 14.697 5.263 -0.705 1.00 0.00 C ATOM 850 O ALA A 52 14.057 6.301 -0.536 1.00 0.00 O ATOM 851 CB ALA A 52 14.548 3.660 1.210 1.00 0.00 C ATOM 0 H ALA A 52 15.271 2.202 -0.649 1.00 0.00 H new ATOM 0 HA ALA A 52 13.058 3.965 -0.294 1.00 0.00 H new ATOM 0 HB1 ALA A 52 14.199 4.478 1.839 1.00 0.00 H new ATOM 0 HB2 ALA A 52 14.101 2.725 1.549 1.00 0.00 H new ATOM 0 HB3 ALA A 52 15.634 3.588 1.278 1.00 0.00 H new ATOM 857 N ALA A 53 15.887 5.234 -1.294 1.00 0.00 N ATOM 858 CA ALA A 53 16.525 6.449 -1.788 1.00 0.00 C ATOM 859 C ALA A 53 15.844 6.946 -3.059 1.00 0.00 C ATOM 860 O ALA A 53 15.704 8.151 -3.268 1.00 0.00 O ATOM 861 CB ALA A 53 18.004 6.202 -2.041 1.00 0.00 C ATOM 0 H ALA A 53 16.430 4.383 -1.441 1.00 0.00 H new ATOM 0 HA ALA A 53 16.423 7.221 -1.026 1.00 0.00 H new ATOM 0 HB1 ALA A 53 18.468 7.117 -2.409 1.00 0.00 H new ATOM 0 HB2 ALA A 53 18.487 5.899 -1.112 1.00 0.00 H new ATOM 0 HB3 ALA A 53 18.119 5.412 -2.784 1.00 0.00 H new ATOM 867 N SER A 54 15.425 6.012 -3.906 1.00 0.00 N ATOM 868 CA SER A 54 14.761 6.357 -5.157 1.00 0.00 C ATOM 869 C SER A 54 13.361 6.906 -4.899 1.00 0.00 C ATOM 870 O SER A 54 12.875 7.764 -5.636 1.00 0.00 O ATOM 871 CB SER A 54 14.680 5.132 -6.070 1.00 0.00 C ATOM 872 OG SER A 54 15.973 4.645 -6.386 1.00 0.00 O ATOM 0 H SER A 54 15.534 5.010 -3.749 1.00 0.00 H new ATOM 0 HA SER A 54 15.350 7.131 -5.649 1.00 0.00 H new ATOM 0 HB2 SER A 54 14.102 4.348 -5.581 1.00 0.00 H new ATOM 0 HB3 SER A 54 14.152 5.392 -6.987 1.00 0.00 H new ATOM 0 HG SER A 54 15.894 3.861 -6.969 1.00 0.00 H new ATOM 878 N LEU A 55 12.718 6.404 -3.851 1.00 0.00 N ATOM 879 CA LEU A 55 11.372 6.843 -3.498 1.00 0.00 C ATOM 880 C LEU A 55 11.407 8.133 -2.681 1.00 0.00 C ATOM 881 O LEU A 55 10.401 8.834 -2.571 1.00 0.00 O ATOM 882 CB LEU A 55 10.649 5.748 -2.711 1.00 0.00 C ATOM 883 CG LEU A 55 9.906 4.720 -3.566 1.00 0.00 C ATOM 884 CD1 LEU A 55 10.010 3.334 -2.949 1.00 0.00 C ATOM 885 CD2 LEU A 55 8.448 5.122 -3.737 1.00 0.00 C ATOM 0 H LEU A 55 13.106 5.693 -3.231 1.00 0.00 H new ATOM 0 HA LEU A 55 10.830 7.040 -4.423 1.00 0.00 H new ATOM 0 HB2 LEU A 55 11.378 5.225 -2.092 1.00 0.00 H new ATOM 0 HB3 LEU A 55 9.936 6.219 -2.034 1.00 0.00 H new ATOM 0 HG LEU A 55 10.373 4.691 -4.551 1.00 0.00 H new ATOM 0 HD11 LEU A 55 9.475 2.617 -3.572 1.00 0.00 H new ATOM 0 HD12 LEU A 55 11.058 3.044 -2.881 1.00 0.00 H new ATOM 0 HD13 LEU A 55 9.571 3.346 -1.951 1.00 0.00 H new ATOM 0 HD21 LEU A 55 7.935 4.379 -4.348 1.00 0.00 H new ATOM 0 HD22 LEU A 55 7.970 5.181 -2.759 1.00 0.00 H new ATOM 0 HD23 LEU A 55 8.394 6.094 -4.226 1.00 0.00 H new ATOM 897 N LEU A 56 12.567 8.442 -2.107 1.00 0.00 N ATOM 898 CA LEU A 56 12.723 9.647 -1.301 1.00 0.00 C ATOM 899 C LEU A 56 13.443 10.739 -2.085 1.00 0.00 C ATOM 900 O LEU A 56 13.203 11.929 -1.874 1.00 0.00 O ATOM 901 CB LEU A 56 13.494 9.329 -0.015 1.00 0.00 C ATOM 902 CG LEU A 56 13.737 10.519 0.919 1.00 0.00 C ATOM 903 CD1 LEU A 56 14.884 11.379 0.407 1.00 0.00 C ATOM 904 CD2 LEU A 56 12.470 11.351 1.072 1.00 0.00 C ATOM 0 H LEU A 56 13.411 7.875 -2.186 1.00 0.00 H new ATOM 0 HA LEU A 56 11.729 10.011 -1.040 1.00 0.00 H new ATOM 0 HB2 LEU A 56 12.948 8.563 0.535 1.00 0.00 H new ATOM 0 HB3 LEU A 56 14.458 8.900 -0.287 1.00 0.00 H new ATOM 0 HG LEU A 56 14.012 10.131 1.900 1.00 0.00 H new ATOM 0 HD11 LEU A 56 15.040 12.218 1.085 1.00 0.00 H new ATOM 0 HD12 LEU A 56 15.793 10.780 0.356 1.00 0.00 H new ATOM 0 HD13 LEU A 56 14.641 11.755 -0.587 1.00 0.00 H new ATOM 0 HD21 LEU A 56 12.665 12.191 1.739 1.00 0.00 H new ATOM 0 HD22 LEU A 56 12.161 11.727 0.096 1.00 0.00 H new ATOM 0 HD23 LEU A 56 11.676 10.732 1.490 1.00 0.00 H new ATOM 916 N ASN A 57 14.330 10.329 -2.986 1.00 0.00 N ATOM 917 CA ASN A 57 15.090 11.274 -3.798 1.00 0.00 C ATOM 918 C ASN A 57 14.163 12.237 -4.539 1.00 0.00 C ATOM 919 O ASN A 57 12.944 12.072 -4.526 1.00 0.00 O ATOM 920 CB ASN A 57 15.971 10.523 -4.798 1.00 0.00 C ATOM 921 CG ASN A 57 17.383 10.318 -4.285 1.00 0.00 C ATOM 922 OD1 ASN A 57 17.506 9.993 -3.002 1.00 0.00 O flip ATOM 923 ND2 ASN A 57 18.353 10.449 -5.031 1.00 0.00 N flip ATOM 0 H ASN A 57 14.541 9.349 -3.173 1.00 0.00 H new ATOM 0 HA ASN A 57 15.723 11.858 -3.130 1.00 0.00 H new ATOM 0 HB2 ASN A 57 15.523 9.554 -5.017 1.00 0.00 H new ATOM 0 HB3 ASN A 57 16.005 11.077 -5.736 1.00 0.00 H new ATOM 0 HD21 ASN A 57 18.213 10.699 -6.010 1.00 0.00 H new ATOM 0 HD22 ASN A 57 19.297 10.307 -4.670 1.00 0.00 H new ATOM 930 N PRO A 58 14.736 13.261 -5.196 1.00 0.00 N ATOM 931 CA PRO A 58 13.963 14.260 -5.944 1.00 0.00 C ATOM 932 C PRO A 58 13.296 13.682 -7.192 1.00 0.00 C ATOM 933 O PRO A 58 12.531 14.368 -7.870 1.00 0.00 O ATOM 934 CB PRO A 58 15.010 15.314 -6.345 1.00 0.00 C ATOM 935 CG PRO A 58 16.219 15.010 -5.524 1.00 0.00 C ATOM 936 CD PRO A 58 16.177 13.534 -5.257 1.00 0.00 C ATOM 0 HA PRO A 58 13.145 14.656 -5.342 1.00 0.00 H new ATOM 0 HB2 PRO A 58 15.235 15.258 -7.410 1.00 0.00 H new ATOM 0 HB3 PRO A 58 14.646 16.323 -6.149 1.00 0.00 H new ATOM 0 HG2 PRO A 58 17.130 15.285 -6.055 1.00 0.00 H new ATOM 0 HG3 PRO A 58 16.210 15.576 -4.592 1.00 0.00 H new ATOM 0 HD2 PRO A 58 16.664 12.965 -6.049 1.00 0.00 H new ATOM 0 HD3 PRO A 58 16.678 13.276 -4.324 1.00 0.00 H new ATOM 944 N TYR A 59 13.589 12.420 -7.495 1.00 0.00 N ATOM 945 CA TYR A 59 13.017 11.762 -8.663 1.00 0.00 C ATOM 946 C TYR A 59 11.647 11.162 -8.351 1.00 0.00 C ATOM 947 O TYR A 59 10.907 10.783 -9.259 1.00 0.00 O ATOM 948 CB TYR A 59 13.963 10.673 -9.169 1.00 0.00 C ATOM 949 CG TYR A 59 15.323 11.197 -9.577 1.00 0.00 C ATOM 950 CD1 TYR A 59 16.220 11.670 -8.628 1.00 0.00 C ATOM 951 CD2 TYR A 59 15.706 11.221 -10.913 1.00 0.00 C ATOM 952 CE1 TYR A 59 17.459 12.153 -8.997 1.00 0.00 C ATOM 953 CE2 TYR A 59 16.946 11.701 -11.290 1.00 0.00 C ATOM 954 CZ TYR A 59 17.818 12.167 -10.329 1.00 0.00 C ATOM 955 OH TYR A 59 19.053 12.647 -10.700 1.00 0.00 O ATOM 0 H TYR A 59 14.219 11.834 -6.947 1.00 0.00 H new ATOM 0 HA TYR A 59 12.885 12.515 -9.440 1.00 0.00 H new ATOM 0 HB2 TYR A 59 14.091 9.922 -8.389 1.00 0.00 H new ATOM 0 HB3 TYR A 59 13.505 10.172 -10.022 1.00 0.00 H new ATOM 0 HD1 TYR A 59 15.943 11.660 -7.584 1.00 0.00 H new ATOM 0 HD2 TYR A 59 15.024 10.859 -11.668 1.00 0.00 H new ATOM 0 HE1 TYR A 59 18.144 12.518 -8.247 1.00 0.00 H new ATOM 0 HE2 TYR A 59 17.230 11.711 -12.332 1.00 0.00 H new ATOM 0 HH TYR A 59 19.149 12.586 -11.673 1.00 0.00 H new ATOM 965 N VAL A 60 11.312 11.080 -7.065 1.00 0.00 N ATOM 966 CA VAL A 60 10.029 10.527 -6.647 1.00 0.00 C ATOM 967 C VAL A 60 8.934 11.589 -6.697 1.00 0.00 C ATOM 968 O VAL A 60 8.278 11.871 -5.693 1.00 0.00 O ATOM 969 CB VAL A 60 10.108 9.941 -5.223 1.00 0.00 C ATOM 970 CG1 VAL A 60 10.438 11.027 -4.209 1.00 0.00 C ATOM 971 CG2 VAL A 60 8.806 9.240 -4.862 1.00 0.00 C ATOM 0 H VAL A 60 11.910 11.389 -6.298 1.00 0.00 H new ATOM 0 HA VAL A 60 9.783 9.726 -7.344 1.00 0.00 H new ATOM 0 HB VAL A 60 10.911 9.204 -5.200 1.00 0.00 H new ATOM 0 HG11 VAL A 60 10.489 10.590 -3.212 1.00 0.00 H new ATOM 0 HG12 VAL A 60 11.399 11.477 -4.457 1.00 0.00 H new ATOM 0 HG13 VAL A 60 9.663 11.793 -4.231 1.00 0.00 H new ATOM 0 HG21 VAL A 60 8.880 8.832 -3.854 1.00 0.00 H new ATOM 0 HG22 VAL A 60 7.984 9.954 -4.905 1.00 0.00 H new ATOM 0 HG23 VAL A 60 8.621 8.430 -5.568 1.00 0.00 H new ATOM 981 N LYS A 61 8.743 12.179 -7.872 1.00 0.00 N ATOM 982 CA LYS A 61 7.730 13.212 -8.057 1.00 0.00 C ATOM 983 C LYS A 61 6.346 12.701 -7.664 1.00 0.00 C ATOM 984 O LYS A 61 6.206 11.588 -7.155 1.00 0.00 O ATOM 985 CB LYS A 61 7.716 13.687 -9.512 1.00 0.00 C ATOM 986 CG LYS A 61 7.536 15.189 -9.659 1.00 0.00 C ATOM 987 CD LYS A 61 6.697 15.533 -10.880 1.00 0.00 C ATOM 988 CE LYS A 61 5.948 16.843 -10.690 1.00 0.00 C ATOM 989 NZ LYS A 61 4.592 16.629 -10.115 1.00 0.00 N ATOM 0 H LYS A 61 9.278 11.959 -8.712 1.00 0.00 H new ATOM 0 HA LYS A 61 7.983 14.051 -7.409 1.00 0.00 H new ATOM 0 HB2 LYS A 61 8.650 13.393 -9.991 1.00 0.00 H new ATOM 0 HB3 LYS A 61 6.911 13.179 -10.044 1.00 0.00 H new ATOM 0 HG2 LYS A 61 7.059 15.589 -8.764 1.00 0.00 H new ATOM 0 HG3 LYS A 61 8.512 15.667 -9.740 1.00 0.00 H new ATOM 0 HD2 LYS A 61 7.341 15.604 -11.757 1.00 0.00 H new ATOM 0 HD3 LYS A 61 5.985 14.730 -11.072 1.00 0.00 H new ATOM 0 HE2 LYS A 61 6.522 17.497 -10.033 1.00 0.00 H new ATOM 0 HE3 LYS A 61 5.859 17.353 -11.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 4.115 17.546 -10.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 4.035 16.026 -10.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 4.677 16.166 -9.188 1.00 0.00 H new ATOM 1003 N ARG A 62 5.328 13.520 -7.904 1.00 0.00 N ATOM 1004 CA ARG A 62 3.955 13.152 -7.576 1.00 0.00 C ATOM 1005 C ARG A 62 3.227 12.618 -8.806 1.00 0.00 C ATOM 1006 O ARG A 62 2.015 12.784 -8.944 1.00 0.00 O ATOM 1007 CB ARG A 62 3.203 14.355 -7.005 1.00 0.00 C ATOM 1008 CG ARG A 62 3.313 14.480 -5.494 1.00 0.00 C ATOM 1009 CD ARG A 62 2.190 13.736 -4.791 1.00 0.00 C ATOM 1010 NE ARG A 62 2.265 13.877 -3.339 1.00 0.00 N ATOM 1011 CZ ARG A 62 1.990 15.005 -2.688 1.00 0.00 C ATOM 1012 NH1 ARG A 62 1.621 16.091 -3.355 1.00 0.00 N ATOM 1013 NH2 ARG A 62 2.084 15.046 -1.366 1.00 0.00 N ATOM 0 H ARG A 62 5.427 14.444 -8.325 1.00 0.00 H new ATOM 0 HA ARG A 62 3.987 12.364 -6.824 1.00 0.00 H new ATOM 0 HB2 ARG A 62 3.587 15.265 -7.465 1.00 0.00 H new ATOM 0 HB3 ARG A 62 2.151 14.279 -7.279 1.00 0.00 H new ATOM 0 HG2 ARG A 62 4.274 14.086 -5.164 1.00 0.00 H new ATOM 0 HG3 ARG A 62 3.286 15.533 -5.212 1.00 0.00 H new ATOM 0 HD2 ARG A 62 1.230 14.113 -5.143 1.00 0.00 H new ATOM 0 HD3 ARG A 62 2.234 12.679 -5.055 1.00 0.00 H new ATOM 0 HE ARG A 62 2.545 13.063 -2.792 1.00 0.00 H new ATOM 0 HH11 ARG A 62 1.547 16.064 -4.372 1.00 0.00 H new ATOM 0 HH12 ARG A 62 1.411 16.953 -2.851 1.00 0.00 H new ATOM 0 HH21 ARG A 62 2.367 14.214 -0.849 1.00 0.00 H new ATOM 0 HH22 ARG A 62 1.873 15.910 -0.866 1.00 0.00 H new ATOM 1027 N SER A 63 3.977 11.979 -9.698 1.00 0.00 N ATOM 1028 CA SER A 63 3.407 11.419 -10.918 1.00 0.00 C ATOM 1029 C SER A 63 4.373 10.427 -11.557 1.00 0.00 C ATOM 1030 O SER A 63 3.973 9.345 -11.987 1.00 0.00 O ATOM 1031 CB SER A 63 3.073 12.536 -11.908 1.00 0.00 C ATOM 1032 OG SER A 63 2.191 13.482 -11.332 1.00 0.00 O ATOM 0 H SER A 63 4.982 11.836 -9.599 1.00 0.00 H new ATOM 0 HA SER A 63 2.490 10.891 -10.657 1.00 0.00 H new ATOM 0 HB2 SER A 63 3.990 13.034 -12.222 1.00 0.00 H new ATOM 0 HB3 SER A 63 2.620 12.109 -12.803 1.00 0.00 H new ATOM 0 HG SER A 63 1.661 13.050 -10.630 1.00 0.00 H new ATOM 1038 N VAL A 64 5.646 10.803 -11.612 1.00 0.00 N ATOM 1039 CA VAL A 64 6.672 9.946 -12.195 1.00 0.00 C ATOM 1040 C VAL A 64 6.761 8.618 -11.451 1.00 0.00 C ATOM 1041 O VAL A 64 6.689 7.550 -12.058 1.00 0.00 O ATOM 1042 CB VAL A 64 8.052 10.631 -12.172 1.00 0.00 C ATOM 1043 CG1 VAL A 64 9.078 9.792 -12.918 1.00 0.00 C ATOM 1044 CG2 VAL A 64 7.963 12.029 -12.765 1.00 0.00 C ATOM 0 H VAL A 64 5.992 11.696 -11.260 1.00 0.00 H new ATOM 0 HA VAL A 64 6.385 9.761 -13.230 1.00 0.00 H new ATOM 0 HB VAL A 64 8.376 10.720 -11.135 1.00 0.00 H new ATOM 0 HG11 VAL A 64 10.046 10.292 -12.891 1.00 0.00 H new ATOM 0 HG12 VAL A 64 9.162 8.814 -12.445 1.00 0.00 H new ATOM 0 HG13 VAL A 64 8.763 9.668 -13.954 1.00 0.00 H new ATOM 0 HG21 VAL A 64 8.947 12.498 -12.741 1.00 0.00 H new ATOM 0 HG22 VAL A 64 7.617 11.965 -13.797 1.00 0.00 H new ATOM 0 HG23 VAL A 64 7.262 12.627 -12.183 1.00 0.00 H new ATOM 1054 N LYS A 65 6.916 8.694 -10.134 1.00 0.00 N ATOM 1055 CA LYS A 65 7.013 7.498 -9.306 1.00 0.00 C ATOM 1056 C LYS A 65 5.751 6.649 -9.430 1.00 0.00 C ATOM 1057 O LYS A 65 5.799 5.426 -9.299 1.00 0.00 O ATOM 1058 CB LYS A 65 7.244 7.881 -7.843 1.00 0.00 C ATOM 1059 CG LYS A 65 7.695 6.719 -6.974 1.00 0.00 C ATOM 1060 CD LYS A 65 9.146 6.352 -7.242 1.00 0.00 C ATOM 1061 CE LYS A 65 9.356 4.847 -7.206 1.00 0.00 C ATOM 1062 NZ LYS A 65 9.324 4.249 -8.570 1.00 0.00 N ATOM 0 H LYS A 65 6.977 9.571 -9.617 1.00 0.00 H new ATOM 0 HA LYS A 65 7.861 6.910 -9.657 1.00 0.00 H new ATOM 0 HB2 LYS A 65 7.994 8.671 -7.797 1.00 0.00 H new ATOM 0 HB3 LYS A 65 6.322 8.293 -7.434 1.00 0.00 H new ATOM 0 HG2 LYS A 65 7.573 6.981 -5.923 1.00 0.00 H new ATOM 0 HG3 LYS A 65 7.059 5.854 -7.163 1.00 0.00 H new ATOM 0 HD2 LYS A 65 9.446 6.739 -8.216 1.00 0.00 H new ATOM 0 HD3 LYS A 65 9.786 6.828 -6.499 1.00 0.00 H new ATOM 0 HE2 LYS A 65 10.314 4.625 -6.735 1.00 0.00 H new ATOM 0 HE3 LYS A 65 8.583 4.387 -6.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 9.571 3.240 -8.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 8.370 4.349 -8.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 10.009 4.739 -9.180 1.00 0.00 H new ATOM 1076 N VAL A 66 4.625 7.308 -9.682 1.00 0.00 N ATOM 1077 CA VAL A 66 3.350 6.615 -9.823 1.00 0.00 C ATOM 1078 C VAL A 66 3.324 5.765 -11.088 1.00 0.00 C ATOM 1079 O VAL A 66 2.802 4.650 -11.089 1.00 0.00 O ATOM 1080 CB VAL A 66 2.172 7.607 -9.863 1.00 0.00 C ATOM 1081 CG1 VAL A 66 0.846 6.865 -9.765 1.00 0.00 C ATOM 1082 CG2 VAL A 66 2.301 8.636 -8.749 1.00 0.00 C ATOM 0 H VAL A 66 4.570 8.320 -9.793 1.00 0.00 H new ATOM 0 HA VAL A 66 3.243 5.970 -8.951 1.00 0.00 H new ATOM 0 HB VAL A 66 2.197 8.135 -10.816 1.00 0.00 H new ATOM 0 HG11 VAL A 66 0.025 7.581 -9.795 1.00 0.00 H new ATOM 0 HG12 VAL A 66 0.754 6.173 -10.602 1.00 0.00 H new ATOM 0 HG13 VAL A 66 0.809 6.309 -8.828 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.460 9.328 -8.794 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.303 8.129 -7.784 1.00 0.00 H new ATOM 0 HG23 VAL A 66 3.232 9.189 -8.871 1.00 0.00 H new ATOM 1092 N LYS A 67 3.893 6.297 -12.165 1.00 0.00 N ATOM 1093 CA LYS A 67 3.935 5.585 -13.438 1.00 0.00 C ATOM 1094 C LYS A 67 4.824 4.351 -13.341 1.00 0.00 C ATOM 1095 O LYS A 67 4.478 3.283 -13.848 1.00 0.00 O ATOM 1096 CB LYS A 67 4.444 6.509 -14.547 1.00 0.00 C ATOM 1097 CG LYS A 67 3.768 6.278 -15.888 1.00 0.00 C ATOM 1098 CD LYS A 67 4.573 5.329 -16.761 1.00 0.00 C ATOM 1099 CE LYS A 67 3.729 4.760 -17.890 1.00 0.00 C ATOM 1100 NZ LYS A 67 2.958 5.821 -18.596 1.00 0.00 N ATOM 0 H LYS A 67 4.331 7.218 -12.182 1.00 0.00 H new ATOM 0 HA LYS A 67 2.922 5.263 -13.680 1.00 0.00 H new ATOM 0 HB2 LYS A 67 4.289 7.545 -14.245 1.00 0.00 H new ATOM 0 HB3 LYS A 67 5.519 6.367 -14.662 1.00 0.00 H new ATOM 0 HG2 LYS A 67 2.770 5.869 -15.728 1.00 0.00 H new ATOM 0 HG3 LYS A 67 3.643 7.231 -16.403 1.00 0.00 H new ATOM 0 HD2 LYS A 67 5.432 5.856 -17.177 1.00 0.00 H new ATOM 0 HD3 LYS A 67 4.964 4.514 -16.151 1.00 0.00 H new ATOM 0 HE2 LYS A 67 4.374 4.246 -18.602 1.00 0.00 H new ATOM 0 HE3 LYS A 67 3.040 4.016 -17.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 2.588 5.443 -19.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 2.166 6.132 -17.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 3.581 6.630 -18.793 1.00 0.00 H new ATOM 1114 N SER A 68 5.971 4.503 -12.687 1.00 0.00 N ATOM 1115 CA SER A 68 6.909 3.400 -12.523 1.00 0.00 C ATOM 1116 C SER A 68 6.309 2.301 -11.653 1.00 0.00 C ATOM 1117 O SER A 68 6.605 1.120 -11.834 1.00 0.00 O ATOM 1118 CB SER A 68 8.214 3.901 -11.903 1.00 0.00 C ATOM 1119 OG SER A 68 8.997 2.822 -11.419 1.00 0.00 O ATOM 0 H SER A 68 6.273 5.380 -12.262 1.00 0.00 H new ATOM 0 HA SER A 68 7.119 2.985 -13.509 1.00 0.00 H new ATOM 0 HB2 SER A 68 8.781 4.461 -12.646 1.00 0.00 H new ATOM 0 HB3 SER A 68 7.992 4.588 -11.087 1.00 0.00 H new ATOM 0 HG SER A 68 9.826 3.169 -11.029 1.00 0.00 H new ATOM 1125 N LEU A 69 5.463 2.697 -10.707 1.00 0.00 N ATOM 1126 CA LEU A 69 4.820 1.746 -9.809 1.00 0.00 C ATOM 1127 C LEU A 69 3.845 0.852 -10.568 1.00 0.00 C ATOM 1128 O LEU A 69 3.658 -0.313 -10.222 1.00 0.00 O ATOM 1129 CB LEU A 69 4.087 2.488 -8.688 1.00 0.00 C ATOM 1130 CG LEU A 69 4.288 1.907 -7.287 1.00 0.00 C ATOM 1131 CD1 LEU A 69 5.656 2.287 -6.744 1.00 0.00 C ATOM 1132 CD2 LEU A 69 3.188 2.383 -6.351 1.00 0.00 C ATOM 0 H LEU A 69 5.207 3.671 -10.543 1.00 0.00 H new ATOM 0 HA LEU A 69 5.595 1.116 -9.372 1.00 0.00 H new ATOM 0 HB2 LEU A 69 4.417 3.527 -8.685 1.00 0.00 H new ATOM 0 HB3 LEU A 69 3.021 2.493 -8.913 1.00 0.00 H new ATOM 0 HG LEU A 69 4.236 0.820 -7.353 1.00 0.00 H new ATOM 0 HD11 LEU A 69 5.782 1.865 -5.747 1.00 0.00 H new ATOM 0 HD12 LEU A 69 6.431 1.896 -7.404 1.00 0.00 H new ATOM 0 HD13 LEU A 69 5.738 3.373 -6.692 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.346 1.960 -5.359 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.208 3.471 -6.289 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.220 2.059 -6.733 1.00 0.00 H new ATOM 1144 N SER A 70 3.226 1.406 -11.605 1.00 0.00 N ATOM 1145 CA SER A 70 2.270 0.661 -12.415 1.00 0.00 C ATOM 1146 C SER A 70 2.961 -0.458 -13.183 1.00 0.00 C ATOM 1147 O SER A 70 2.477 -1.588 -13.222 1.00 0.00 O ATOM 1148 CB SER A 70 1.549 1.598 -13.386 1.00 0.00 C ATOM 1149 OG SER A 70 0.740 2.530 -12.690 1.00 0.00 O ATOM 0 H SER A 70 3.370 2.370 -11.905 1.00 0.00 H new ATOM 0 HA SER A 70 1.536 0.214 -11.744 1.00 0.00 H new ATOM 0 HB2 SER A 70 2.281 2.130 -13.994 1.00 0.00 H new ATOM 0 HB3 SER A 70 0.931 1.014 -14.069 1.00 0.00 H new ATOM 0 HG SER A 70 1.312 3.174 -12.222 1.00 0.00 H new ATOM 1155 N ASP A 71 4.100 -0.144 -13.786 1.00 0.00 N ATOM 1156 CA ASP A 71 4.855 -1.139 -14.535 1.00 0.00 C ATOM 1157 C ASP A 71 5.680 -1.990 -13.584 1.00 0.00 C ATOM 1158 O ASP A 71 5.947 -3.162 -13.849 1.00 0.00 O ATOM 1159 CB ASP A 71 5.761 -0.464 -15.566 1.00 0.00 C ATOM 1160 CG ASP A 71 6.108 -1.383 -16.722 1.00 0.00 C ATOM 1161 OD1 ASP A 71 5.173 -1.900 -17.369 1.00 0.00 O ATOM 1162 OD2 ASP A 71 7.313 -1.585 -16.978 1.00 0.00 O ATOM 0 H ASP A 71 4.519 0.786 -13.772 1.00 0.00 H new ATOM 0 HA ASP A 71 4.153 -1.782 -15.066 1.00 0.00 H new ATOM 0 HB2 ASP A 71 5.267 0.428 -15.951 1.00 0.00 H new ATOM 0 HB3 ASP A 71 6.679 -0.135 -15.079 1.00 0.00 H new ATOM 1167 N MET A 72 6.067 -1.394 -12.461 1.00 0.00 N ATOM 1168 CA MET A 72 6.844 -2.099 -11.456 1.00 0.00 C ATOM 1169 C MET A 72 5.941 -3.012 -10.646 1.00 0.00 C ATOM 1170 O MET A 72 6.379 -4.057 -10.166 1.00 0.00 O ATOM 1171 CB MET A 72 7.560 -1.103 -10.536 1.00 0.00 C ATOM 1172 CG MET A 72 8.219 -1.746 -9.325 1.00 0.00 C ATOM 1173 SD MET A 72 8.813 -0.531 -8.133 1.00 0.00 S ATOM 1174 CE MET A 72 7.361 -0.328 -7.104 1.00 0.00 C ATOM 0 H MET A 72 5.854 -0.424 -12.227 1.00 0.00 H new ATOM 0 HA MET A 72 7.597 -2.706 -11.958 1.00 0.00 H new ATOM 0 HB2 MET A 72 8.319 -0.573 -11.111 1.00 0.00 H new ATOM 0 HB3 MET A 72 6.841 -0.358 -10.194 1.00 0.00 H new ATOM 0 HG2 MET A 72 7.505 -2.410 -8.837 1.00 0.00 H new ATOM 0 HG3 MET A 72 9.054 -2.364 -9.655 1.00 0.00 H new ATOM 0 HE1 MET A 72 7.534 0.472 -6.384 1.00 0.00 H new ATOM 0 HE2 MET A 72 6.505 -0.074 -7.729 1.00 0.00 H new ATOM 0 HE3 MET A 72 7.159 -1.258 -6.572 1.00 0.00 H new ATOM 1184 N THR A 73 4.673 -2.630 -10.504 1.00 0.00 N ATOM 1185 CA THR A 73 3.744 -3.456 -9.759 1.00 0.00 C ATOM 1186 C THR A 73 3.570 -4.793 -10.451 1.00 0.00 C ATOM 1187 O THR A 73 3.327 -5.811 -9.800 1.00 0.00 O ATOM 1188 CB THR A 73 2.389 -2.785 -9.586 1.00 0.00 C ATOM 1189 OG1 THR A 73 1.566 -3.595 -8.781 1.00 0.00 O ATOM 1190 CG2 THR A 73 1.643 -2.554 -10.873 1.00 0.00 C ATOM 0 H THR A 73 4.278 -1.772 -10.888 1.00 0.00 H new ATOM 0 HA THR A 73 4.166 -3.605 -8.765 1.00 0.00 H new ATOM 0 HB THR A 73 2.603 -1.814 -9.140 1.00 0.00 H new ATOM 0 HG1 THR A 73 1.960 -3.675 -7.887 1.00 0.00 H new ATOM 0 HG21 THR A 73 0.689 -2.072 -10.659 1.00 0.00 H new ATOM 0 HG22 THR A 73 2.235 -1.913 -11.526 1.00 0.00 H new ATOM 0 HG23 THR A 73 1.465 -3.509 -11.367 1.00 0.00 H new ATOM 1198 N ALA A 74 3.719 -4.799 -11.775 1.00 0.00 N ATOM 1199 CA ALA A 74 3.602 -6.033 -12.531 1.00 0.00 C ATOM 1200 C ALA A 74 4.473 -7.108 -11.896 1.00 0.00 C ATOM 1201 O ALA A 74 4.169 -8.299 -11.969 1.00 0.00 O ATOM 1202 CB ALA A 74 3.994 -5.811 -13.985 1.00 0.00 C ATOM 0 H ALA A 74 3.919 -3.971 -12.336 1.00 0.00 H new ATOM 0 HA ALA A 74 2.563 -6.363 -12.511 1.00 0.00 H new ATOM 0 HB1 ALA A 74 3.900 -6.748 -14.534 1.00 0.00 H new ATOM 0 HB2 ALA A 74 3.338 -5.062 -14.429 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.026 -5.464 -14.035 1.00 0.00 H new ATOM 1208 N LYS A 75 5.556 -6.669 -11.251 1.00 0.00 N ATOM 1209 CA LYS A 75 6.464 -7.585 -10.580 1.00 0.00 C ATOM 1210 C LYS A 75 6.166 -7.649 -9.084 1.00 0.00 C ATOM 1211 O LYS A 75 6.488 -8.636 -8.424 1.00 0.00 O ATOM 1212 CB LYS A 75 7.917 -7.162 -10.810 1.00 0.00 C ATOM 1213 CG LYS A 75 8.548 -7.801 -12.036 1.00 0.00 C ATOM 1214 CD LYS A 75 7.933 -7.269 -13.321 1.00 0.00 C ATOM 1215 CE LYS A 75 8.338 -8.108 -14.522 1.00 0.00 C ATOM 1216 NZ LYS A 75 7.513 -7.799 -15.720 1.00 0.00 N ATOM 0 H LYS A 75 5.820 -5.686 -11.182 1.00 0.00 H new ATOM 0 HA LYS A 75 6.315 -8.578 -11.003 1.00 0.00 H new ATOM 0 HB2 LYS A 75 7.959 -6.078 -10.913 1.00 0.00 H new ATOM 0 HB3 LYS A 75 8.506 -7.422 -9.931 1.00 0.00 H new ATOM 0 HG2 LYS A 75 9.621 -7.607 -12.037 1.00 0.00 H new ATOM 0 HG3 LYS A 75 8.420 -8.882 -11.991 1.00 0.00 H new ATOM 0 HD2 LYS A 75 6.847 -7.263 -13.230 1.00 0.00 H new ATOM 0 HD3 LYS A 75 8.246 -6.236 -13.475 1.00 0.00 H new ATOM 0 HE2 LYS A 75 9.389 -7.931 -14.750 1.00 0.00 H new ATOM 0 HE3 LYS A 75 8.239 -9.165 -14.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 7.821 -8.393 -16.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 6.512 -7.992 -15.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 7.627 -6.796 -15.971 1.00 0.00 H new ATOM 1230 N GLU A 76 5.545 -6.597 -8.552 1.00 0.00 N ATOM 1231 CA GLU A 76 5.204 -6.555 -7.138 1.00 0.00 C ATOM 1232 C GLU A 76 4.068 -7.523 -6.830 1.00 0.00 C ATOM 1233 O GLU A 76 4.254 -8.494 -6.098 1.00 0.00 O ATOM 1234 CB GLU A 76 4.809 -5.137 -6.723 1.00 0.00 C ATOM 1235 CG GLU A 76 5.887 -4.100 -7.000 1.00 0.00 C ATOM 1236 CD GLU A 76 6.982 -4.098 -5.951 1.00 0.00 C ATOM 1237 OE1 GLU A 76 6.865 -4.861 -4.967 1.00 0.00 O ATOM 1238 OE2 GLU A 76 7.956 -3.334 -6.112 1.00 0.00 O ATOM 0 H GLU A 76 5.270 -5.768 -9.079 1.00 0.00 H new ATOM 0 HA GLU A 76 6.083 -6.856 -6.568 1.00 0.00 H new ATOM 0 HB2 GLU A 76 3.899 -4.853 -7.251 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.575 -5.131 -5.658 1.00 0.00 H new ATOM 0 HG2 GLU A 76 6.327 -4.292 -7.978 1.00 0.00 H new ATOM 0 HG3 GLU A 76 5.431 -3.111 -7.045 1.00 0.00 H new ATOM 1245 N LYS A 77 2.892 -7.250 -7.408 1.00 0.00 N ATOM 1246 CA LYS A 77 1.704 -8.093 -7.214 1.00 0.00 C ATOM 1247 C LYS A 77 0.414 -7.305 -7.448 1.00 0.00 C ATOM 1248 O LYS A 77 -0.570 -7.852 -7.943 1.00 0.00 O ATOM 1249 CB LYS A 77 1.673 -8.697 -5.804 1.00 0.00 C ATOM 1250 CG LYS A 77 2.135 -10.146 -5.751 1.00 0.00 C ATOM 1251 CD LYS A 77 0.963 -11.109 -5.863 1.00 0.00 C ATOM 1252 CE LYS A 77 0.591 -11.693 -4.510 1.00 0.00 C ATOM 1253 NZ LYS A 77 -0.884 -11.819 -4.348 1.00 0.00 N ATOM 0 H LYS A 77 2.737 -6.447 -8.018 1.00 0.00 H new ATOM 0 HA LYS A 77 1.768 -8.897 -7.947 1.00 0.00 H new ATOM 0 HB2 LYS A 77 2.305 -8.099 -5.148 1.00 0.00 H new ATOM 0 HB3 LYS A 77 0.657 -8.634 -5.413 1.00 0.00 H new ATOM 0 HG2 LYS A 77 2.840 -10.334 -6.560 1.00 0.00 H new ATOM 0 HG3 LYS A 77 2.667 -10.326 -4.817 1.00 0.00 H new ATOM 0 HD2 LYS A 77 0.103 -10.589 -6.285 1.00 0.00 H new ATOM 0 HD3 LYS A 77 1.218 -11.915 -6.551 1.00 0.00 H new ATOM 0 HE2 LYS A 77 1.054 -12.673 -4.398 1.00 0.00 H new ATOM 0 HE3 LYS A 77 0.991 -11.059 -3.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -1.116 -12.774 -4.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -1.219 -11.116 -3.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -1.349 -11.655 -5.264 1.00 0.00 H new ATOM 1267 N PHE A 78 0.417 -6.027 -7.067 1.00 0.00 N ATOM 1268 CA PHE A 78 -0.764 -5.173 -7.215 1.00 0.00 C ATOM 1269 C PHE A 78 -1.437 -5.353 -8.547 1.00 0.00 C ATOM 1270 O PHE A 78 -0.834 -5.824 -9.512 1.00 0.00 O ATOM 1271 CB PHE A 78 -0.414 -3.699 -7.059 1.00 0.00 C ATOM 1272 CG PHE A 78 0.571 -3.455 -5.979 1.00 0.00 C ATOM 1273 CD1 PHE A 78 0.307 -3.902 -4.708 1.00 0.00 C ATOM 1274 CD2 PHE A 78 1.756 -2.795 -6.232 1.00 0.00 C ATOM 1275 CE1 PHE A 78 1.212 -3.701 -3.697 1.00 0.00 C ATOM 1276 CE2 PHE A 78 2.669 -2.586 -5.226 1.00 0.00 C ATOM 1277 CZ PHE A 78 2.398 -3.043 -3.952 1.00 0.00 C ATOM 0 H PHE A 78 1.224 -5.560 -6.653 1.00 0.00 H new ATOM 0 HA PHE A 78 -1.447 -5.481 -6.423 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -0.014 -3.323 -8.001 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -1.323 -3.134 -6.850 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -0.620 -4.416 -4.503 1.00 0.00 H new ATOM 0 HD2 PHE A 78 1.968 -2.439 -7.229 1.00 0.00 H new ATOM 0 HE1 PHE A 78 0.996 -4.058 -2.701 1.00 0.00 H new ATOM 0 HE2 PHE A 78 3.594 -2.067 -5.431 1.00 0.00 H new ATOM 0 HZ PHE A 78 3.112 -2.886 -3.157 1.00 0.00 H new ATOM 1287 N SER A 79 -2.686 -4.926 -8.589 1.00 0.00 N ATOM 1288 CA SER A 79 -3.477 -4.984 -9.806 1.00 0.00 C ATOM 1289 C SER A 79 -4.975 -4.925 -9.526 1.00 0.00 C ATOM 1290 O SER A 79 -5.713 -4.259 -10.252 1.00 0.00 O ATOM 1291 CB SER A 79 -3.159 -6.233 -10.640 1.00 0.00 C ATOM 1292 OG SER A 79 -2.766 -7.322 -9.822 1.00 0.00 O ATOM 0 H SER A 79 -3.178 -4.532 -7.787 1.00 0.00 H new ATOM 0 HA SER A 79 -3.200 -4.100 -10.381 1.00 0.00 H new ATOM 0 HB2 SER A 79 -4.036 -6.514 -11.224 1.00 0.00 H new ATOM 0 HB3 SER A 79 -2.363 -6.005 -11.349 1.00 0.00 H new ATOM 0 HG SER A 79 -1.790 -7.329 -9.733 1.00 0.00 H new ATOM 1298 N PRO A 80 -5.471 -5.660 -8.517 1.00 0.00 N ATOM 1299 CA PRO A 80 -6.884 -5.706 -8.221 1.00 0.00 C ATOM 1300 C PRO A 80 -7.322 -4.839 -7.049 1.00 0.00 C ATOM 1301 O PRO A 80 -7.980 -3.817 -7.247 1.00 0.00 O ATOM 1302 CB PRO A 80 -7.083 -7.187 -7.899 1.00 0.00 C ATOM 1303 CG PRO A 80 -5.741 -7.677 -7.412 1.00 0.00 C ATOM 1304 CD PRO A 80 -4.741 -6.559 -7.630 1.00 0.00 C ATOM 0 HA PRO A 80 -7.480 -5.315 -9.046 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -7.851 -7.323 -7.137 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -7.407 -7.740 -8.781 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -5.791 -7.946 -6.357 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -5.440 -8.572 -7.956 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -4.465 -6.072 -6.695 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -3.819 -6.921 -8.086 1.00 0.00 H new ATOM 1312 N LEU A 81 -6.977 -5.237 -5.830 1.00 0.00 N ATOM 1313 CA LEU A 81 -7.371 -4.463 -4.667 1.00 0.00 C ATOM 1314 C LEU A 81 -6.243 -3.549 -4.251 1.00 0.00 C ATOM 1315 O LEU A 81 -6.301 -2.883 -3.217 1.00 0.00 O ATOM 1316 CB LEU A 81 -7.788 -5.385 -3.527 1.00 0.00 C ATOM 1317 CG LEU A 81 -9.171 -6.017 -3.719 1.00 0.00 C ATOM 1318 CD1 LEU A 81 -9.057 -7.527 -3.844 1.00 0.00 C ATOM 1319 CD2 LEU A 81 -10.106 -5.639 -2.577 1.00 0.00 C ATOM 0 H LEU A 81 -6.435 -6.077 -5.626 1.00 0.00 H new ATOM 0 HA LEU A 81 -8.232 -3.847 -4.924 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -7.047 -6.178 -3.424 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -7.783 -4.820 -2.595 1.00 0.00 H new ATOM 0 HG LEU A 81 -9.596 -5.628 -4.644 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -10.049 -7.957 -3.980 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -8.434 -7.775 -4.703 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -8.606 -7.934 -2.939 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -11.081 -6.100 -2.737 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -9.689 -5.991 -1.633 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -10.218 -4.555 -2.542 1.00 0.00 H new ATOM 1331 N THR A 82 -5.218 -3.518 -5.085 1.00 0.00 N ATOM 1332 CA THR A 82 -4.066 -2.691 -4.849 1.00 0.00 C ATOM 1333 C THR A 82 -3.798 -1.789 -6.045 1.00 0.00 C ATOM 1334 O THR A 82 -2.918 -0.932 -5.996 1.00 0.00 O ATOM 1335 CB THR A 82 -2.856 -3.555 -4.544 1.00 0.00 C ATOM 1336 OG1 THR A 82 -3.232 -4.914 -4.397 1.00 0.00 O ATOM 1337 CG2 THR A 82 -2.156 -3.130 -3.272 1.00 0.00 C ATOM 0 H THR A 82 -5.169 -4.068 -5.942 1.00 0.00 H new ATOM 0 HA THR A 82 -4.264 -2.055 -3.986 1.00 0.00 H new ATOM 0 HB THR A 82 -2.176 -3.432 -5.387 1.00 0.00 H new ATOM 0 HG1 THR A 82 -3.743 -5.024 -3.568 1.00 0.00 H new ATOM 0 HG21 THR A 82 -1.297 -3.777 -3.096 1.00 0.00 H new ATOM 0 HG22 THR A 82 -1.819 -2.098 -3.370 1.00 0.00 H new ATOM 0 HG23 THR A 82 -2.847 -3.208 -2.433 1.00 0.00 H new ATOM 1345 N SER A 83 -4.574 -1.956 -7.119 1.00 0.00 N ATOM 1346 CA SER A 83 -4.400 -1.118 -8.291 1.00 0.00 C ATOM 1347 C SER A 83 -5.171 0.189 -8.122 1.00 0.00 C ATOM 1348 O SER A 83 -5.580 0.827 -9.092 1.00 0.00 O ATOM 1349 CB SER A 83 -4.857 -1.835 -9.558 1.00 0.00 C ATOM 1350 OG SER A 83 -4.920 -0.944 -10.658 1.00 0.00 O ATOM 0 H SER A 83 -5.315 -2.653 -7.195 1.00 0.00 H new ATOM 0 HA SER A 83 -3.337 -0.898 -8.392 1.00 0.00 H new ATOM 0 HB2 SER A 83 -4.170 -2.650 -9.786 1.00 0.00 H new ATOM 0 HB3 SER A 83 -5.837 -2.282 -9.392 1.00 0.00 H new ATOM 0 HG SER A 83 -5.512 -0.195 -10.439 1.00 0.00 H new ATOM 1356 N ASN A 84 -5.341 0.571 -6.868 1.00 0.00 N ATOM 1357 CA ASN A 84 -6.030 1.791 -6.490 1.00 0.00 C ATOM 1358 C ASN A 84 -5.280 2.364 -5.311 1.00 0.00 C ATOM 1359 O ASN A 84 -4.938 3.547 -5.277 1.00 0.00 O ATOM 1360 CB ASN A 84 -7.487 1.507 -6.117 1.00 0.00 C ATOM 1361 CG ASN A 84 -8.287 2.777 -5.903 1.00 0.00 C ATOM 1362 OD1 ASN A 84 -8.360 3.635 -6.783 1.00 0.00 O ATOM 1363 ND2 ASN A 84 -8.893 2.903 -4.728 1.00 0.00 N ATOM 0 H ASN A 84 -4.998 0.033 -6.072 1.00 0.00 H new ATOM 0 HA ASN A 84 -6.051 2.495 -7.322 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -7.953 0.916 -6.906 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -7.516 0.905 -5.209 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -9.446 3.736 -4.526 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -8.805 2.167 -4.027 1.00 0.00 H new ATOM 1370 N LEU A 85 -4.962 1.476 -4.375 1.00 0.00 N ATOM 1371 CA LEU A 85 -4.176 1.841 -3.220 1.00 0.00 C ATOM 1372 C LEU A 85 -2.784 2.229 -3.698 1.00 0.00 C ATOM 1373 O LEU A 85 -2.057 2.949 -3.014 1.00 0.00 O ATOM 1374 CB LEU A 85 -4.089 0.667 -2.236 1.00 0.00 C ATOM 1375 CG LEU A 85 -3.711 1.052 -0.804 1.00 0.00 C ATOM 1376 CD1 LEU A 85 -4.319 0.075 0.191 1.00 0.00 C ATOM 1377 CD2 LEU A 85 -2.199 1.100 -0.647 1.00 0.00 C ATOM 0 H LEU A 85 -5.242 0.496 -4.402 1.00 0.00 H new ATOM 0 HA LEU A 85 -4.644 2.678 -2.702 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -5.052 0.156 -2.217 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -3.356 -0.048 -2.610 1.00 0.00 H new ATOM 0 HG LEU A 85 -4.111 2.045 -0.598 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -4.039 0.365 1.204 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -5.405 0.088 0.097 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -3.949 -0.930 -0.014 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -1.948 1.375 0.377 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -1.778 0.120 -0.873 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -1.785 1.839 -1.333 1.00 0.00 H new ATOM 1389 N ILE A 86 -2.422 1.748 -4.899 1.00 0.00 N ATOM 1390 CA ILE A 86 -1.126 2.054 -5.473 1.00 0.00 C ATOM 1391 C ILE A 86 -1.035 3.539 -5.811 1.00 0.00 C ATOM 1392 O ILE A 86 -0.169 4.250 -5.300 1.00 0.00 O ATOM 1393 CB ILE A 86 -0.841 1.187 -6.729 1.00 0.00 C ATOM 1394 CG1 ILE A 86 0.112 0.044 -6.373 1.00 0.00 C ATOM 1395 CG2 ILE A 86 -0.260 2.016 -7.871 1.00 0.00 C ATOM 1396 CD1 ILE A 86 -0.343 -0.784 -5.192 1.00 0.00 C ATOM 0 H ILE A 86 -3.012 1.151 -5.478 1.00 0.00 H new ATOM 0 HA ILE A 86 -0.365 1.815 -4.730 1.00 0.00 H new ATOM 0 HB ILE A 86 -1.791 0.776 -7.069 1.00 0.00 H new ATOM 0 HG12 ILE A 86 0.224 -0.607 -7.240 1.00 0.00 H new ATOM 0 HG13 ILE A 86 1.097 0.458 -6.157 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -0.075 1.372 -8.731 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -0.967 2.798 -8.149 1.00 0.00 H new ATOM 0 HG23 ILE A 86 0.677 2.471 -7.550 1.00 0.00 H new ATOM 0 HD11 ILE A 86 0.383 -1.574 -5.000 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -0.427 -0.147 -4.312 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -1.314 -1.229 -5.412 1.00 0.00 H new ATOM 1408 N ASN A 87 -1.943 4.001 -6.661 1.00 0.00 N ATOM 1409 CA ASN A 87 -1.972 5.403 -7.052 1.00 0.00 C ATOM 1410 C ASN A 87 -2.272 6.275 -5.839 1.00 0.00 C ATOM 1411 O ASN A 87 -1.810 7.412 -5.746 1.00 0.00 O ATOM 1412 CB ASN A 87 -3.024 5.635 -8.138 1.00 0.00 C ATOM 1413 CG ASN A 87 -2.594 6.683 -9.146 1.00 0.00 C ATOM 1414 OD1 ASN A 87 -1.687 7.474 -8.887 1.00 0.00 O ATOM 1415 ND2 ASN A 87 -3.245 6.692 -10.303 1.00 0.00 N ATOM 0 H ASN A 87 -2.667 3.426 -7.092 1.00 0.00 H new ATOM 0 HA ASN A 87 -0.995 5.673 -7.453 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -3.221 4.696 -8.656 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -3.960 5.945 -7.673 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -3.000 7.374 -11.021 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -3.990 6.017 -10.474 1.00 0.00 H new ATOM 1422 N LEU A 88 -3.044 5.726 -4.906 1.00 0.00 N ATOM 1423 CA LEU A 88 -3.404 6.440 -3.690 1.00 0.00 C ATOM 1424 C LEU A 88 -2.171 6.703 -2.836 1.00 0.00 C ATOM 1425 O LEU A 88 -2.052 7.753 -2.206 1.00 0.00 O ATOM 1426 CB LEU A 88 -4.432 5.636 -2.889 1.00 0.00 C ATOM 1427 CG LEU A 88 -5.439 6.474 -2.100 1.00 0.00 C ATOM 1428 CD1 LEU A 88 -4.723 7.370 -1.102 1.00 0.00 C ATOM 1429 CD2 LEU A 88 -6.297 7.302 -3.044 1.00 0.00 C ATOM 0 H LEU A 88 -3.433 4.785 -4.971 1.00 0.00 H new ATOM 0 HA LEU A 88 -3.842 7.397 -3.972 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -4.979 4.990 -3.575 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -3.900 4.986 -2.194 1.00 0.00 H new ATOM 0 HG LEU A 88 -6.091 5.798 -1.546 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -5.456 7.958 -0.550 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -4.152 6.756 -0.406 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -4.047 8.039 -1.634 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -7.008 7.892 -2.466 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -5.660 7.969 -3.625 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -6.839 6.639 -3.719 1.00 0.00 H new ATOM 1441 N LEU A 89 -1.250 5.744 -2.823 1.00 0.00 N ATOM 1442 CA LEU A 89 -0.025 5.881 -2.049 1.00 0.00 C ATOM 1443 C LEU A 89 0.990 6.741 -2.796 1.00 0.00 C ATOM 1444 O LEU A 89 1.811 7.424 -2.185 1.00 0.00 O ATOM 1445 CB LEU A 89 0.570 4.506 -1.743 1.00 0.00 C ATOM 1446 CG LEU A 89 0.256 3.965 -0.349 1.00 0.00 C ATOM 1447 CD1 LEU A 89 0.717 2.520 -0.219 1.00 0.00 C ATOM 1448 CD2 LEU A 89 0.907 4.834 0.716 1.00 0.00 C ATOM 0 H LEU A 89 -1.330 4.867 -3.338 1.00 0.00 H new ATOM 0 HA LEU A 89 -0.269 6.373 -1.108 1.00 0.00 H new ATOM 0 HB2 LEU A 89 0.204 3.795 -2.484 1.00 0.00 H new ATOM 0 HB3 LEU A 89 1.652 4.560 -1.861 1.00 0.00 H new ATOM 0 HG LEU A 89 -0.824 3.992 -0.203 1.00 0.00 H new ATOM 0 HD11 LEU A 89 0.485 2.153 0.781 1.00 0.00 H new ATOM 0 HD12 LEU A 89 0.204 1.906 -0.960 1.00 0.00 H new ATOM 0 HD13 LEU A 89 1.793 2.465 -0.385 1.00 0.00 H new ATOM 0 HD21 LEU A 89 0.674 4.435 1.703 1.00 0.00 H new ATOM 0 HD22 LEU A 89 1.987 4.838 0.572 1.00 0.00 H new ATOM 0 HD23 LEU A 89 0.527 5.853 0.637 1.00 0.00 H new ATOM 1460 N ALA A 90 0.922 6.705 -4.123 1.00 0.00 N ATOM 1461 CA ALA A 90 1.830 7.483 -4.956 1.00 0.00 C ATOM 1462 C ALA A 90 1.241 8.850 -5.300 1.00 0.00 C ATOM 1463 O ALA A 90 1.907 9.680 -5.919 1.00 0.00 O ATOM 1464 CB ALA A 90 2.163 6.716 -6.227 1.00 0.00 C ATOM 0 H ALA A 90 0.247 6.145 -4.644 1.00 0.00 H new ATOM 0 HA ALA A 90 2.746 7.649 -4.389 1.00 0.00 H new ATOM 0 HB1 ALA A 90 2.842 7.307 -6.841 1.00 0.00 H new ATOM 0 HB2 ALA A 90 2.639 5.770 -5.967 1.00 0.00 H new ATOM 0 HB3 ALA A 90 1.247 6.520 -6.784 1.00 0.00 H new ATOM 1470 N GLU A 91 -0.008 9.084 -4.900 1.00 0.00 N ATOM 1471 CA GLU A 91 -0.668 10.356 -5.172 1.00 0.00 C ATOM 1472 C GLU A 91 -0.639 11.258 -3.944 1.00 0.00 C ATOM 1473 O GLU A 91 -0.098 12.362 -3.985 1.00 0.00 O ATOM 1474 CB GLU A 91 -2.115 10.121 -5.613 1.00 0.00 C ATOM 1475 CG GLU A 91 -2.870 11.400 -5.932 1.00 0.00 C ATOM 1476 CD GLU A 91 -4.348 11.161 -6.175 1.00 0.00 C ATOM 1477 OE1 GLU A 91 -4.995 10.523 -5.318 1.00 0.00 O ATOM 1478 OE2 GLU A 91 -4.857 11.611 -7.223 1.00 0.00 O ATOM 0 H GLU A 91 -0.580 8.411 -4.389 1.00 0.00 H new ATOM 0 HA GLU A 91 -0.126 10.852 -5.977 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -2.118 9.478 -6.493 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -2.643 9.584 -4.825 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -2.750 12.103 -5.108 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -2.431 11.866 -6.814 1.00 0.00 H new ATOM 1485 N ASN A 92 -1.224 10.779 -2.851 1.00 0.00 N ATOM 1486 CA ASN A 92 -1.265 11.541 -1.610 1.00 0.00 C ATOM 1487 C ASN A 92 0.145 11.851 -1.114 1.00 0.00 C ATOM 1488 O ASN A 92 0.363 12.843 -0.418 1.00 0.00 O ATOM 1489 CB ASN A 92 -2.037 10.770 -0.538 1.00 0.00 C ATOM 1490 CG ASN A 92 -3.520 11.087 -0.553 1.00 0.00 C ATOM 1491 OD1 ASN A 92 -4.272 10.559 -1.371 1.00 0.00 O ATOM 1492 ND2 ASN A 92 -3.948 11.957 0.355 1.00 0.00 N ATOM 0 H ASN A 92 -1.676 9.866 -2.800 1.00 0.00 H new ATOM 0 HA ASN A 92 -1.776 12.483 -1.809 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -1.895 9.700 -0.691 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -1.627 11.009 0.443 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -4.935 12.211 0.393 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -3.289 12.371 1.015 1.00 0.00 H new ATOM 1499 N GLY A 93 1.096 10.996 -1.474 1.00 0.00 N ATOM 1500 CA GLY A 93 2.470 11.197 -1.055 1.00 0.00 C ATOM 1501 C GLY A 93 2.754 10.586 0.303 1.00 0.00 C ATOM 1502 O GLY A 93 3.525 11.135 1.090 1.00 0.00 O ATOM 0 H GLY A 93 0.940 10.168 -2.048 1.00 0.00 H new ATOM 0 HA2 GLY A 93 3.140 10.760 -1.795 1.00 0.00 H new ATOM 0 HA3 GLY A 93 2.685 12.265 -1.022 1.00 0.00 H new ATOM 1506 N ARG A 94 2.128 9.447 0.578 1.00 0.00 N ATOM 1507 CA ARG A 94 2.314 8.761 1.851 1.00 0.00 C ATOM 1508 C ARG A 94 3.287 7.596 1.706 1.00 0.00 C ATOM 1509 O ARG A 94 3.177 6.593 2.412 1.00 0.00 O ATOM 1510 CB ARG A 94 0.971 8.256 2.382 1.00 0.00 C ATOM 1511 CG ARG A 94 1.018 7.817 3.836 1.00 0.00 C ATOM 1512 CD ARG A 94 0.545 8.923 4.767 1.00 0.00 C ATOM 1513 NE ARG A 94 1.502 10.025 4.838 1.00 0.00 N ATOM 1514 CZ ARG A 94 1.211 11.228 5.328 1.00 0.00 C ATOM 1515 NH1 ARG A 94 -0.005 11.488 5.792 1.00 0.00 N ATOM 1516 NH2 ARG A 94 2.139 12.174 5.356 1.00 0.00 N ATOM 0 H ARG A 94 1.487 8.979 -0.063 1.00 0.00 H new ATOM 0 HA ARG A 94 2.734 9.474 2.561 1.00 0.00 H new ATOM 0 HB2 ARG A 94 0.227 9.045 2.273 1.00 0.00 H new ATOM 0 HB3 ARG A 94 0.639 7.418 1.769 1.00 0.00 H new ATOM 0 HG2 ARG A 94 0.393 6.934 3.971 1.00 0.00 H new ATOM 0 HG3 ARG A 94 2.036 7.530 4.098 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -0.418 9.300 4.422 1.00 0.00 H new ATOM 0 HD3 ARG A 94 0.388 8.514 5.765 1.00 0.00 H new ATOM 0 HE ARG A 94 2.448 9.863 4.492 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -0.723 10.764 5.774 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -0.221 12.412 6.166 1.00 0.00 H new ATOM 0 HH21 ARG A 94 3.076 11.980 5.002 1.00 0.00 H new ATOM 0 HH22 ARG A 94 1.916 13.096 5.731 1.00 0.00 H new ATOM 1530 N LEU A 95 4.243 7.735 0.793 1.00 0.00 N ATOM 1531 CA LEU A 95 5.238 6.693 0.567 1.00 0.00 C ATOM 1532 C LEU A 95 6.465 6.919 1.444 1.00 0.00 C ATOM 1533 O LEU A 95 7.600 6.917 0.966 1.00 0.00 O ATOM 1534 CB LEU A 95 5.641 6.648 -0.909 1.00 0.00 C ATOM 1535 CG LEU A 95 4.679 5.883 -1.820 1.00 0.00 C ATOM 1536 CD1 LEU A 95 5.130 5.972 -3.270 1.00 0.00 C ATOM 1537 CD2 LEU A 95 4.571 4.429 -1.382 1.00 0.00 C ATOM 0 H LEU A 95 4.350 8.557 0.199 1.00 0.00 H new ATOM 0 HA LEU A 95 4.794 5.734 0.836 1.00 0.00 H new ATOM 0 HB2 LEU A 95 5.730 7.670 -1.277 1.00 0.00 H new ATOM 0 HB3 LEU A 95 6.629 6.194 -0.986 1.00 0.00 H new ATOM 0 HG LEU A 95 3.693 6.341 -1.739 1.00 0.00 H new ATOM 0 HD11 LEU A 95 4.433 5.422 -3.902 1.00 0.00 H new ATOM 0 HD12 LEU A 95 5.154 7.017 -3.580 1.00 0.00 H new ATOM 0 HD13 LEU A 95 6.127 5.541 -3.368 1.00 0.00 H new ATOM 0 HD21 LEU A 95 3.883 3.901 -2.041 1.00 0.00 H new ATOM 0 HD22 LEU A 95 5.554 3.960 -1.432 1.00 0.00 H new ATOM 0 HD23 LEU A 95 4.199 4.384 -0.358 1.00 0.00 H new ATOM 1549 N THR A 96 6.219 7.104 2.734 1.00 0.00 N ATOM 1550 CA THR A 96 7.283 7.323 3.706 1.00 0.00 C ATOM 1551 C THR A 96 7.013 6.502 4.958 1.00 0.00 C ATOM 1552 O THR A 96 7.905 5.841 5.491 1.00 0.00 O ATOM 1553 CB THR A 96 7.387 8.807 4.061 1.00 0.00 C ATOM 1554 OG1 THR A 96 6.166 9.281 4.598 1.00 0.00 O ATOM 1555 CG2 THR A 96 7.739 9.683 2.877 1.00 0.00 C ATOM 0 H THR A 96 5.281 7.107 3.135 1.00 0.00 H new ATOM 0 HA THR A 96 8.230 7.007 3.268 1.00 0.00 H new ATOM 0 HB THR A 96 8.192 8.873 4.793 1.00 0.00 H new ATOM 0 HG1 THR A 96 6.253 10.231 4.820 1.00 0.00 H new ATOM 0 HG21 THR A 96 7.797 10.723 3.198 1.00 0.00 H new ATOM 0 HG22 THR A 96 8.702 9.375 2.470 1.00 0.00 H new ATOM 0 HG23 THR A 96 6.972 9.583 2.109 1.00 0.00 H new ATOM 1563 N ASN A 97 5.763 6.536 5.409 1.00 0.00 N ATOM 1564 CA ASN A 97 5.345 5.784 6.582 1.00 0.00 C ATOM 1565 C ASN A 97 4.393 4.661 6.177 1.00 0.00 C ATOM 1566 O ASN A 97 3.707 4.079 7.017 1.00 0.00 O ATOM 1567 CB ASN A 97 4.664 6.710 7.592 1.00 0.00 C ATOM 1568 CG ASN A 97 5.650 7.612 8.307 1.00 0.00 C ATOM 1569 OD1 ASN A 97 6.183 7.257 9.359 1.00 0.00 O ATOM 1570 ND2 ASN A 97 5.898 8.786 7.738 1.00 0.00 N ATOM 0 H ASN A 97 5.019 7.081 4.974 1.00 0.00 H new ATOM 0 HA ASN A 97 6.228 5.347 7.047 1.00 0.00 H new ATOM 0 HB2 ASN A 97 3.923 7.322 7.077 1.00 0.00 H new ATOM 0 HB3 ASN A 97 4.127 6.110 8.326 1.00 0.00 H new ATOM 0 HD21 ASN A 97 6.553 9.435 8.173 1.00 0.00 H new ATOM 0 HD22 ASN A 97 5.433 9.038 6.866 1.00 0.00 H new ATOM 1577 N THR A 98 4.358 4.365 4.875 1.00 0.00 N ATOM 1578 CA THR A 98 3.495 3.319 4.337 1.00 0.00 C ATOM 1579 C THR A 98 3.532 2.050 5.190 1.00 0.00 C ATOM 1580 O THR A 98 2.487 1.542 5.590 1.00 0.00 O ATOM 1581 CB THR A 98 3.903 2.993 2.901 1.00 0.00 C ATOM 1582 OG1 THR A 98 4.622 4.070 2.326 1.00 0.00 O ATOM 1583 CG2 THR A 98 2.725 2.696 2.002 1.00 0.00 C ATOM 0 H THR A 98 4.923 4.841 4.172 1.00 0.00 H new ATOM 0 HA THR A 98 2.473 3.697 4.352 1.00 0.00 H new ATOM 0 HB THR A 98 4.523 2.099 2.971 1.00 0.00 H new ATOM 0 HG1 THR A 98 4.129 4.905 2.468 1.00 0.00 H new ATOM 0 HG21 THR A 98 3.082 2.472 0.997 1.00 0.00 H new ATOM 0 HG22 THR A 98 2.177 1.838 2.392 1.00 0.00 H new ATOM 0 HG23 THR A 98 2.065 3.563 1.968 1.00 0.00 H new ATOM 1591 N PRO A 99 4.735 1.513 5.482 1.00 0.00 N ATOM 1592 CA PRO A 99 4.880 0.301 6.289 1.00 0.00 C ATOM 1593 C PRO A 99 3.975 0.310 7.518 1.00 0.00 C ATOM 1594 O PRO A 99 3.553 -0.743 7.997 1.00 0.00 O ATOM 1595 CB PRO A 99 6.362 0.306 6.707 1.00 0.00 C ATOM 1596 CG PRO A 99 6.940 1.582 6.174 1.00 0.00 C ATOM 1597 CD PRO A 99 6.041 2.027 5.058 1.00 0.00 C ATOM 0 HA PRO A 99 4.592 -0.590 5.730 1.00 0.00 H new ATOM 0 HB2 PRO A 99 6.461 0.256 7.791 1.00 0.00 H new ATOM 0 HB3 PRO A 99 6.885 -0.559 6.299 1.00 0.00 H new ATOM 0 HG2 PRO A 99 6.992 2.340 6.956 1.00 0.00 H new ATOM 0 HG3 PRO A 99 7.957 1.426 5.814 1.00 0.00 H new ATOM 0 HD2 PRO A 99 6.035 3.112 4.949 1.00 0.00 H new ATOM 0 HD3 PRO A 99 6.349 1.612 4.098 1.00 0.00 H new ATOM 1605 N ALA A 100 3.672 1.504 8.016 1.00 0.00 N ATOM 1606 CA ALA A 100 2.809 1.648 9.181 1.00 0.00 C ATOM 1607 C ALA A 100 1.358 1.347 8.818 1.00 0.00 C ATOM 1608 O ALA A 100 0.623 0.743 9.598 1.00 0.00 O ATOM 1609 CB ALA A 100 2.934 3.049 9.763 1.00 0.00 C ATOM 0 H ALA A 100 4.011 2.385 7.631 1.00 0.00 H new ATOM 0 HA ALA A 100 3.128 0.929 9.936 1.00 0.00 H new ATOM 0 HB1 ALA A 100 2.283 3.141 10.633 1.00 0.00 H new ATOM 0 HB2 ALA A 100 3.967 3.228 10.062 1.00 0.00 H new ATOM 0 HB3 ALA A 100 2.641 3.783 9.012 1.00 0.00 H new ATOM 1615 N VAL A 101 0.955 1.770 7.623 1.00 0.00 N ATOM 1616 CA VAL A 101 -0.405 1.544 7.150 1.00 0.00 C ATOM 1617 C VAL A 101 -0.656 0.059 6.903 1.00 0.00 C ATOM 1618 O VAL A 101 -1.773 -0.429 7.072 1.00 0.00 O ATOM 1619 CB VAL A 101 -0.683 2.323 5.850 1.00 0.00 C ATOM 1620 CG1 VAL A 101 -2.140 2.180 5.437 1.00 0.00 C ATOM 1621 CG2 VAL A 101 -0.312 3.789 6.017 1.00 0.00 C ATOM 0 H VAL A 101 1.552 2.271 6.965 1.00 0.00 H new ATOM 0 HA VAL A 101 -1.078 1.901 7.929 1.00 0.00 H new ATOM 0 HB VAL A 101 -0.064 1.901 5.059 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -2.314 2.738 4.517 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -2.370 1.127 5.272 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -2.782 2.572 6.226 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -0.515 4.324 5.089 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -0.903 4.224 6.823 1.00 0.00 H new ATOM 0 HG23 VAL A 101 0.748 3.871 6.259 1.00 0.00 H new ATOM 1631 N ILE A 102 0.392 -0.654 6.501 1.00 0.00 N ATOM 1632 CA ILE A 102 0.285 -2.082 6.232 1.00 0.00 C ATOM 1633 C ILE A 102 0.047 -2.866 7.518 1.00 0.00 C ATOM 1634 O ILE A 102 -0.745 -3.806 7.545 1.00 0.00 O ATOM 1635 CB ILE A 102 1.554 -2.621 5.543 1.00 0.00 C ATOM 1636 CG1 ILE A 102 1.911 -1.757 4.331 1.00 0.00 C ATOM 1637 CG2 ILE A 102 1.357 -4.072 5.125 1.00 0.00 C ATOM 1638 CD1 ILE A 102 3.155 -2.218 3.604 1.00 0.00 C ATOM 0 H ILE A 102 1.324 -0.266 6.355 1.00 0.00 H new ATOM 0 HA ILE A 102 -0.566 -2.216 5.564 1.00 0.00 H new ATOM 0 HB ILE A 102 2.379 -2.577 6.253 1.00 0.00 H new ATOM 0 HG12 ILE A 102 1.072 -1.758 3.635 1.00 0.00 H new ATOM 0 HG13 ILE A 102 2.052 -0.727 4.659 1.00 0.00 H new ATOM 0 HG21 ILE A 102 2.262 -4.437 4.640 1.00 0.00 H new ATOM 0 HG22 ILE A 102 1.147 -4.679 6.006 1.00 0.00 H new ATOM 0 HG23 ILE A 102 0.520 -4.140 4.430 1.00 0.00 H new ATOM 0 HD11 ILE A 102 3.347 -1.559 2.757 1.00 0.00 H new ATOM 0 HD12 ILE A 102 4.006 -2.190 4.285 1.00 0.00 H new ATOM 0 HD13 ILE A 102 3.010 -3.237 3.245 1.00 0.00 H new ATOM 1650 N SER A 103 0.736 -2.468 8.584 1.00 0.00 N ATOM 1651 CA SER A 103 0.594 -3.132 9.876 1.00 0.00 C ATOM 1652 C SER A 103 -0.853 -3.087 10.349 1.00 0.00 C ATOM 1653 O SER A 103 -1.408 -4.097 10.780 1.00 0.00 O ATOM 1654 CB SER A 103 1.506 -2.479 10.915 1.00 0.00 C ATOM 1655 OG SER A 103 1.618 -3.284 12.075 1.00 0.00 O ATOM 0 H SER A 103 1.397 -1.691 8.579 1.00 0.00 H new ATOM 0 HA SER A 103 0.887 -4.175 9.756 1.00 0.00 H new ATOM 0 HB2 SER A 103 2.494 -2.317 10.485 1.00 0.00 H new ATOM 0 HB3 SER A 103 1.111 -1.500 11.185 1.00 0.00 H new ATOM 0 HG SER A 103 2.208 -2.844 12.723 1.00 0.00 H new ATOM 1661 N ALA A 104 -1.465 -1.910 10.257 1.00 0.00 N ATOM 1662 CA ALA A 104 -2.852 -1.739 10.668 1.00 0.00 C ATOM 1663 C ALA A 104 -3.760 -2.688 9.895 1.00 0.00 C ATOM 1664 O ALA A 104 -4.795 -3.124 10.397 1.00 0.00 O ATOM 1665 CB ALA A 104 -3.291 -0.297 10.463 1.00 0.00 C ATOM 0 H ALA A 104 -1.022 -1.063 9.902 1.00 0.00 H new ATOM 0 HA ALA A 104 -2.930 -1.978 11.729 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -4.329 -0.185 10.775 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -2.660 0.363 11.058 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -3.198 -0.035 9.409 1.00 0.00 H new ATOM 1671 N PHE A 105 -3.358 -3.009 8.668 1.00 0.00 N ATOM 1672 CA PHE A 105 -4.126 -3.912 7.821 1.00 0.00 C ATOM 1673 C PHE A 105 -4.307 -5.264 8.497 1.00 0.00 C ATOM 1674 O PHE A 105 -5.386 -5.850 8.451 1.00 0.00 O ATOM 1675 CB PHE A 105 -3.424 -4.097 6.474 1.00 0.00 C ATOM 1676 CG PHE A 105 -4.340 -4.542 5.369 1.00 0.00 C ATOM 1677 CD1 PHE A 105 -4.769 -5.858 5.286 1.00 0.00 C ATOM 1678 CD2 PHE A 105 -4.768 -3.644 4.407 1.00 0.00 C ATOM 1679 CE1 PHE A 105 -5.605 -6.264 4.268 1.00 0.00 C ATOM 1680 CE2 PHE A 105 -5.604 -4.045 3.387 1.00 0.00 C ATOM 1681 CZ PHE A 105 -6.022 -5.358 3.318 1.00 0.00 C ATOM 0 H PHE A 105 -2.503 -2.655 8.239 1.00 0.00 H new ATOM 0 HA PHE A 105 -5.109 -3.471 7.656 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -2.954 -3.156 6.187 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -2.625 -4.830 6.589 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -4.444 -6.573 6.027 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -4.443 -2.615 4.456 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -5.933 -7.292 4.215 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -5.931 -3.333 2.644 1.00 0.00 H new ATOM 0 HZ PHE A 105 -6.676 -5.675 2.519 1.00 0.00 H new ATOM 1691 N SER A 106 -3.242 -5.754 9.122 1.00 0.00 N ATOM 1692 CA SER A 106 -3.288 -7.040 9.806 1.00 0.00 C ATOM 1693 C SER A 106 -4.264 -7.003 10.975 1.00 0.00 C ATOM 1694 O SER A 106 -5.035 -7.941 11.181 1.00 0.00 O ATOM 1695 CB SER A 106 -1.893 -7.430 10.299 1.00 0.00 C ATOM 1696 OG SER A 106 -1.123 -8.000 9.256 1.00 0.00 O ATOM 0 H SER A 106 -2.339 -5.282 9.169 1.00 0.00 H new ATOM 0 HA SER A 106 -3.635 -7.788 9.094 1.00 0.00 H new ATOM 0 HB2 SER A 106 -1.384 -6.550 10.692 1.00 0.00 H new ATOM 0 HB3 SER A 106 -1.980 -8.141 11.121 1.00 0.00 H new ATOM 0 HG SER A 106 -1.707 -8.218 8.500 1.00 0.00 H new ATOM 1702 N THR A 107 -4.230 -5.917 11.740 1.00 0.00 N ATOM 1703 CA THR A 107 -5.118 -5.768 12.885 1.00 0.00 C ATOM 1704 C THR A 107 -6.541 -5.488 12.432 1.00 0.00 C ATOM 1705 O THR A 107 -7.494 -6.032 12.989 1.00 0.00 O ATOM 1706 CB THR A 107 -4.626 -4.649 13.807 1.00 0.00 C ATOM 1707 OG1 THR A 107 -3.270 -4.853 14.163 1.00 0.00 O ATOM 1708 CG2 THR A 107 -5.425 -4.535 15.087 1.00 0.00 C ATOM 0 H THR A 107 -3.599 -5.130 11.588 1.00 0.00 H new ATOM 0 HA THR A 107 -5.112 -6.706 13.441 1.00 0.00 H new ATOM 0 HB THR A 107 -4.750 -3.728 13.237 1.00 0.00 H new ATOM 0 HG1 THR A 107 -2.973 -4.127 14.751 1.00 0.00 H new ATOM 0 HG21 THR A 107 -5.025 -3.724 15.695 1.00 0.00 H new ATOM 0 HG22 THR A 107 -6.468 -4.328 14.848 1.00 0.00 H new ATOM 0 HG23 THR A 107 -5.359 -5.471 15.642 1.00 0.00 H new ATOM 1716 N MET A 108 -6.686 -4.658 11.408 1.00 0.00 N ATOM 1717 CA MET A 108 -8.001 -4.344 10.885 1.00 0.00 C ATOM 1718 C MET A 108 -8.550 -5.544 10.127 1.00 0.00 C ATOM 1719 O MET A 108 -9.760 -5.753 10.063 1.00 0.00 O ATOM 1720 CB MET A 108 -7.939 -3.120 9.975 1.00 0.00 C ATOM 1721 CG MET A 108 -7.512 -1.851 10.695 1.00 0.00 C ATOM 1722 SD MET A 108 -8.695 -1.336 11.956 1.00 0.00 S ATOM 1723 CE MET A 108 -7.621 -1.168 13.379 1.00 0.00 C ATOM 0 H MET A 108 -5.914 -4.195 10.929 1.00 0.00 H new ATOM 0 HA MET A 108 -8.667 -4.113 11.717 1.00 0.00 H new ATOM 0 HB2 MET A 108 -7.243 -3.318 9.160 1.00 0.00 H new ATOM 0 HB3 MET A 108 -8.919 -2.961 9.525 1.00 0.00 H new ATOM 0 HG2 MET A 108 -6.539 -2.011 11.159 1.00 0.00 H new ATOM 0 HG3 MET A 108 -7.390 -1.049 9.967 1.00 0.00 H new ATOM 0 HE1 MET A 108 -8.207 -0.854 14.242 1.00 0.00 H new ATOM 0 HE2 MET A 108 -7.147 -2.126 13.592 1.00 0.00 H new ATOM 0 HE3 MET A 108 -6.854 -0.422 13.170 1.00 0.00 H new ATOM 1733 N MET A 109 -7.641 -6.339 9.565 1.00 0.00 N ATOM 1734 CA MET A 109 -8.024 -7.529 8.823 1.00 0.00 C ATOM 1735 C MET A 109 -8.648 -8.566 9.754 1.00 0.00 C ATOM 1736 O MET A 109 -9.304 -9.495 9.298 1.00 0.00 O ATOM 1737 CB MET A 109 -6.808 -8.129 8.110 1.00 0.00 C ATOM 1738 CG MET A 109 -7.074 -9.487 7.477 1.00 0.00 C ATOM 1739 SD MET A 109 -6.649 -10.856 8.571 1.00 0.00 S ATOM 1740 CE MET A 109 -6.709 -12.234 7.427 1.00 0.00 C ATOM 0 H MET A 109 -6.635 -6.177 9.612 1.00 0.00 H new ATOM 0 HA MET A 109 -8.764 -7.241 8.076 1.00 0.00 H new ATOM 0 HB2 MET A 109 -6.475 -7.437 7.336 1.00 0.00 H new ATOM 0 HB3 MET A 109 -5.991 -8.226 8.825 1.00 0.00 H new ATOM 0 HG2 MET A 109 -8.127 -9.557 7.205 1.00 0.00 H new ATOM 0 HG3 MET A 109 -6.500 -9.572 6.554 1.00 0.00 H new ATOM 0 HE1 MET A 109 -6.468 -13.156 7.955 1.00 0.00 H new ATOM 0 HE2 MET A 109 -7.710 -12.310 7.002 1.00 0.00 H new ATOM 0 HE3 MET A 109 -5.986 -12.075 6.627 1.00 0.00 H new ATOM 1750 N SER A 110 -8.444 -8.406 11.062 1.00 0.00 N ATOM 1751 CA SER A 110 -9.008 -9.342 12.029 1.00 0.00 C ATOM 1752 C SER A 110 -10.368 -8.857 12.520 1.00 0.00 C ATOM 1753 O SER A 110 -11.173 -9.643 13.018 1.00 0.00 O ATOM 1754 CB SER A 110 -8.056 -9.531 13.211 1.00 0.00 C ATOM 1755 OG SER A 110 -6.968 -10.368 12.862 1.00 0.00 O ATOM 0 H SER A 110 -7.899 -7.647 11.470 1.00 0.00 H new ATOM 0 HA SER A 110 -9.143 -10.303 11.532 1.00 0.00 H new ATOM 0 HB2 SER A 110 -7.682 -8.561 13.539 1.00 0.00 H new ATOM 0 HB3 SER A 110 -8.597 -9.965 14.052 1.00 0.00 H new ATOM 0 HG SER A 110 -6.374 -10.471 13.634 1.00 0.00 H new ATOM 1761 N VAL A 111 -10.623 -7.562 12.366 1.00 0.00 N ATOM 1762 CA VAL A 111 -11.890 -6.983 12.784 1.00 0.00 C ATOM 1763 C VAL A 111 -12.978 -7.238 11.743 1.00 0.00 C ATOM 1764 O VAL A 111 -14.163 -7.039 12.013 1.00 0.00 O ATOM 1765 CB VAL A 111 -11.767 -5.466 13.022 1.00 0.00 C ATOM 1766 CG1 VAL A 111 -13.057 -4.908 13.604 1.00 0.00 C ATOM 1767 CG2 VAL A 111 -10.587 -5.162 13.935 1.00 0.00 C ATOM 0 H VAL A 111 -9.969 -6.896 11.955 1.00 0.00 H new ATOM 0 HA VAL A 111 -12.165 -7.466 13.722 1.00 0.00 H new ATOM 0 HB VAL A 111 -11.590 -4.981 12.062 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -12.950 -3.835 13.765 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -13.878 -5.091 12.911 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -13.269 -5.398 14.554 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -10.516 -4.086 14.092 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -10.731 -5.660 14.894 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -9.668 -5.523 13.474 1.00 0.00 H new ATOM 1777 N HIS A 112 -12.574 -7.681 10.554 1.00 0.00 N ATOM 1778 CA HIS A 112 -13.517 -7.961 9.487 1.00 0.00 C ATOM 1779 C HIS A 112 -14.201 -9.308 9.707 1.00 0.00 C ATOM 1780 O HIS A 112 -15.319 -9.529 9.243 1.00 0.00 O ATOM 1781 CB HIS A 112 -12.794 -7.949 8.140 1.00 0.00 C ATOM 1782 CG HIS A 112 -12.164 -9.257 7.776 1.00 0.00 C ATOM 1783 ND1 HIS A 112 -11.492 -10.056 8.674 1.00 0.00 N ATOM 1784 CD2 HIS A 112 -12.118 -9.904 6.597 1.00 0.00 C ATOM 1785 CE1 HIS A 112 -11.063 -11.143 8.057 1.00 0.00 C ATOM 1786 NE2 HIS A 112 -11.430 -11.074 6.794 1.00 0.00 N ATOM 0 H HIS A 112 -11.598 -7.852 10.311 1.00 0.00 H new ATOM 0 HA HIS A 112 -14.284 -7.186 9.489 1.00 0.00 H new ATOM 0 HB2 HIS A 112 -13.503 -7.670 7.361 1.00 0.00 H new ATOM 0 HB3 HIS A 112 -12.023 -7.179 8.160 1.00 0.00 H new ATOM 0 HD2 HIS A 112 -12.545 -9.564 5.665 1.00 0.00 H new ATOM 0 HE1 HIS A 112 -10.507 -11.950 8.511 1.00 0.00 H new ATOM 0 HE2 HIS A 112 -11.235 -11.775 6.080 1.00 0.00 H new ATOM 1795 N ARG A 113 -13.517 -10.208 10.409 1.00 0.00 N ATOM 1796 CA ARG A 113 -14.062 -11.531 10.674 1.00 0.00 C ATOM 1797 C ARG A 113 -15.252 -11.447 11.624 1.00 0.00 C ATOM 1798 O ARG A 113 -16.173 -12.260 11.555 1.00 0.00 O ATOM 1799 CB ARG A 113 -12.985 -12.442 11.265 1.00 0.00 C ATOM 1800 CG ARG A 113 -13.086 -13.885 10.798 1.00 0.00 C ATOM 1801 CD ARG A 113 -11.714 -14.523 10.659 1.00 0.00 C ATOM 1802 NE ARG A 113 -11.783 -15.982 10.681 1.00 0.00 N ATOM 1803 CZ ARG A 113 -10.770 -16.778 10.343 1.00 0.00 C ATOM 1804 NH1 ARG A 113 -9.611 -16.260 9.957 1.00 0.00 N ATOM 1805 NH2 ARG A 113 -10.918 -18.094 10.390 1.00 0.00 N ATOM 0 H ARG A 113 -12.590 -10.044 10.801 1.00 0.00 H new ATOM 0 HA ARG A 113 -14.403 -11.952 9.728 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -12.003 -12.050 10.999 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -13.055 -12.415 12.352 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -13.684 -14.457 11.507 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -13.605 -13.923 9.840 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -11.255 -14.196 9.726 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -11.070 -14.178 11.468 1.00 0.00 H new ATOM 0 HE ARG A 113 -12.658 -16.417 10.972 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -9.493 -15.248 9.918 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -8.838 -16.874 9.699 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -11.807 -18.497 10.685 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -10.143 -18.704 10.131 1.00 0.00 H new ATOM 1819 N GLY A 114 -15.226 -10.456 12.510 1.00 0.00 N ATOM 1820 CA GLY A 114 -16.309 -10.285 13.461 1.00 0.00 C ATOM 1821 C GLY A 114 -17.602 -9.852 12.798 1.00 0.00 C ATOM 1822 O GLY A 114 -18.688 -10.102 13.322 1.00 0.00 O ATOM 0 H GLY A 114 -14.475 -9.769 12.586 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -16.473 -11.223 13.992 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -16.020 -9.543 14.206 1.00 0.00 H new ATOM 1826 N GLU A 115 -17.487 -9.202 11.645 1.00 0.00 N ATOM 1827 CA GLU A 115 -18.658 -8.734 10.911 1.00 0.00 C ATOM 1828 C GLU A 115 -19.110 -9.770 9.886 1.00 0.00 C ATOM 1829 O GLU A 115 -20.305 -10.009 9.718 1.00 0.00 O ATOM 1830 CB GLU A 115 -18.353 -7.407 10.215 1.00 0.00 C ATOM 1831 CG GLU A 115 -17.130 -7.459 9.313 1.00 0.00 C ATOM 1832 CD GLU A 115 -16.949 -6.191 8.504 1.00 0.00 C ATOM 1833 OE1 GLU A 115 -17.868 -5.842 7.732 1.00 0.00 O ATOM 1834 OE2 GLU A 115 -15.887 -5.546 8.640 1.00 0.00 O ATOM 0 H GLU A 115 -16.596 -8.987 11.198 1.00 0.00 H new ATOM 0 HA GLU A 115 -19.467 -8.583 11.626 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -19.218 -7.110 9.623 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -18.204 -6.636 10.971 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -16.241 -7.628 9.921 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -17.218 -8.308 8.636 1.00 0.00 H new ATOM 1841 N VAL A 116 -18.147 -10.379 9.202 1.00 0.00 N ATOM 1842 CA VAL A 116 -18.447 -11.387 8.192 1.00 0.00 C ATOM 1843 C VAL A 116 -17.900 -12.752 8.597 1.00 0.00 C ATOM 1844 O VAL A 116 -16.855 -12.844 9.242 1.00 0.00 O ATOM 1845 CB VAL A 116 -17.865 -11.000 6.819 1.00 0.00 C ATOM 1846 CG1 VAL A 116 -18.687 -9.890 6.183 1.00 0.00 C ATOM 1847 CG2 VAL A 116 -16.408 -10.583 6.957 1.00 0.00 C ATOM 0 H VAL A 116 -17.152 -10.192 9.329 1.00 0.00 H new ATOM 0 HA VAL A 116 -19.533 -11.442 8.115 1.00 0.00 H new ATOM 0 HB VAL A 116 -17.910 -11.872 6.166 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -18.260 -9.631 5.214 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -19.714 -10.229 6.048 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -18.677 -9.013 6.830 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -16.013 -10.313 5.978 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -16.337 -9.726 7.626 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -15.830 -11.411 7.366 1.00 0.00 H new ATOM 1857 N PRO A 117 -18.599 -13.837 8.222 1.00 0.00 N ATOM 1858 CA PRO A 117 -18.175 -15.203 8.550 1.00 0.00 C ATOM 1859 C PRO A 117 -16.937 -15.629 7.767 1.00 0.00 C ATOM 1860 O PRO A 117 -16.278 -14.804 7.132 1.00 0.00 O ATOM 1861 CB PRO A 117 -19.381 -16.055 8.149 1.00 0.00 C ATOM 1862 CG PRO A 117 -20.067 -15.265 7.090 1.00 0.00 C ATOM 1863 CD PRO A 117 -19.857 -13.820 7.449 1.00 0.00 C ATOM 0 HA PRO A 117 -17.896 -15.303 9.599 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -19.070 -17.031 7.776 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -20.040 -16.234 8.999 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -19.652 -15.487 6.107 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -21.129 -15.507 7.049 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -19.774 -13.194 6.561 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -20.686 -13.428 8.039 1.00 0.00 H new ATOM 1871 N CYS A 118 -16.629 -16.920 7.815 1.00 0.00 N ATOM 1872 CA CYS A 118 -15.470 -17.456 7.110 1.00 0.00 C ATOM 1873 C CYS A 118 -15.589 -18.967 6.939 1.00 0.00 C ATOM 1874 O CYS A 118 -14.974 -19.736 7.678 1.00 0.00 O ATOM 1875 CB CYS A 118 -14.185 -17.116 7.866 1.00 0.00 C ATOM 1876 SG CYS A 118 -12.706 -17.076 6.827 1.00 0.00 S ATOM 0 H CYS A 118 -17.165 -17.615 8.334 1.00 0.00 H new ATOM 0 HA CYS A 118 -15.433 -16.998 6.121 1.00 0.00 H new ATOM 0 HB2 CYS A 118 -14.305 -16.145 8.346 1.00 0.00 H new ATOM 0 HB3 CYS A 118 -14.039 -17.848 8.660 1.00 0.00 H new ATOM 0 HG CYS A 118 -11.672 -16.778 7.556 1.00 0.00 H new ATOM 1882 N THR A 119 -16.383 -19.385 5.959 1.00 0.00 N ATOM 1883 CA THR A 119 -16.583 -20.804 5.689 1.00 0.00 C ATOM 1884 C THR A 119 -15.285 -21.457 5.223 1.00 0.00 C ATOM 1885 O THR A 119 -14.971 -22.583 5.611 1.00 0.00 O ATOM 1886 CB THR A 119 -17.671 -20.996 4.632 1.00 0.00 C ATOM 1887 OG1 THR A 119 -17.781 -22.359 4.267 1.00 0.00 O ATOM 1888 CG2 THR A 119 -17.425 -20.201 3.368 1.00 0.00 C ATOM 0 H THR A 119 -16.899 -18.761 5.338 1.00 0.00 H new ATOM 0 HA THR A 119 -16.898 -21.283 6.616 1.00 0.00 H new ATOM 0 HB THR A 119 -18.590 -20.636 5.095 1.00 0.00 H new ATOM 0 HG1 THR A 119 -18.483 -22.461 3.591 1.00 0.00 H new ATOM 0 HG21 THR A 119 -18.234 -20.383 2.660 1.00 0.00 H new ATOM 0 HG22 THR A 119 -17.385 -19.139 3.608 1.00 0.00 H new ATOM 0 HG23 THR A 119 -16.478 -20.508 2.923 1.00 0.00 H new ATOM 1896 N VAL A 120 -14.536 -20.743 4.390 1.00 0.00 N ATOM 1897 CA VAL A 120 -13.272 -21.254 3.871 1.00 0.00 C ATOM 1898 C VAL A 120 -12.284 -21.523 5.002 1.00 0.00 C ATOM 1899 O VAL A 120 -12.371 -20.833 6.040 1.00 0.00 O ATOM 1900 CB VAL A 120 -12.640 -20.270 2.866 1.00 0.00 C ATOM 1901 CG1 VAL A 120 -12.349 -18.933 3.533 1.00 0.00 C ATOM 1902 CG2 VAL A 120 -11.373 -20.860 2.261 1.00 0.00 C ATOM 1903 OXT VAL A 120 -11.430 -22.420 4.840 1.00 0.00 O ATOM 0 H VAL A 120 -14.782 -19.810 4.060 1.00 0.00 H new ATOM 0 HA VAL A 120 -13.492 -22.190 3.358 1.00 0.00 H new ATOM 0 HB VAL A 120 -13.354 -20.099 2.060 1.00 0.00 H new ATOM 0 HG11 VAL A 120 -11.903 -18.253 2.807 1.00 0.00 H new ATOM 0 HG12 VAL A 120 -13.278 -18.504 3.909 1.00 0.00 H new ATOM 0 HG13 VAL A 120 -11.657 -19.083 4.362 1.00 0.00 H new ATOM 0 HG21 VAL A 120 -10.942 -20.150 1.555 1.00 0.00 H new ATOM 0 HG22 VAL A 120 -10.653 -21.066 3.053 1.00 0.00 H new ATOM 0 HG23 VAL A 120 -11.615 -21.787 1.742 1.00 0.00 H new TER 1913 VAL A 120