USER MOD reduce.3.24.130724 H: found=0, std=0, add=938, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 938 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 87 THR OG1 : rot -110:sc= 0.473 USER MOD Set 1.2: A 109 HIS : no HD1:sc= -1.31 K(o=-0.84,f=-3) USER MOD Set 2.1: A 63 SER OG : rot 173:sc= 0 USER MOD Set 2.2: A 65 THR OG1 : rot 180:sc= -0.162 USER MOD Set 3.1: A 34 TYR OH : rot 165:sc= 0.0457 USER MOD Set 3.2: A 100 LYS NZ :NH3+ -110:sc= 0.0475 (180deg=0) USER MOD Set 3.3: A 103 ASN : amide:sc= -4.38 K(o=-4.3,f=-6.7!) USER MOD Set 4.1: A 32 THR OG1 : rot -58:sc= 2.06 USER MOD Set 4.2: A 92 TYR OH : rot -123:sc= 0.961 USER MOD Set 5.1: A 29 ASN : amide:sc= -1.53! X(o=-1.6!,f=-1.7) USER MOD Set 5.2: A 31 THR OG1 : rot 91:sc= -0.103 USER MOD Set 6.1: A 17 HIS : no HD1:sc= 0 X(o=-0.18,f=-0.31) USER MOD Set 6.2: A 20 LYS NZ :NH3+ -133:sc= -0.175 (180deg=-0.895) USER MOD Single : A 0 HIS : no HD1:sc=-0.00656 X(o=-0.0066,f=0) USER MOD Single : A 1 MET CE :methyl -176:sc= 0 (180deg=-0.0205) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 166:sc= -0.0502 (180deg=-0.248) USER MOD Single : A -1 SER OG : rot 180:sc= 0 USER MOD Single : A -2 GLY N :NH3+ -101:sc= 0.0336 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -5.98! C(o=-6!,f=-9.9!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 24:sc= 0.157 USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.905 USER MOD Single : A 22 THR OG1 : rot 53:sc= 0.226 USER MOD Single : A 25 HIS : no HD1:sc= -3.04! C(o=-3!,f=-2.8!) USER MOD Single : A 27 LYS NZ :NH3+ -167:sc= -0.044 (180deg=-0.255) USER MOD Single : A 35 MET CE :methyl -138:sc= -1.18 (180deg=-3.55!) USER MOD Single : A 37 THR OG1 : rot 110:sc= -0.0989 USER MOD Single : A 44 LYS NZ :NH3+ -166:sc= -0.0658 (180deg=-0.289) USER MOD Single : A 48 SER OG : rot 180:sc= -0.323 USER MOD Single : A 56 CYS SG : rot 180:sc= -2.71! USER MOD Single : A 57 LYS NZ :NH3+ -166:sc= -0.0497 (180deg=-0.263) USER MOD Single : A 58 TYR OH : rot 76:sc= -0.227 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.0391 USER MOD Single : A 64 SER OG : rot -37:sc= 0.995 USER MOD Single : A 67 MET CE :methyl -160:sc= -0.179 (180deg=-0.713) USER MOD Single : A 74 TYR OH : rot -83:sc= -0.958 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ -135:sc= 1.24 (180deg=-0.148) USER MOD Single : A 85 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 86 HIS : no HE2:sc= -7.13! C(o=-7.1!,f=-12!) USER MOD Single : A 93 THR OG1 : rot -130:sc= -1.66 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 ASN : amide:sc= -0.481 X(o=-0.48,f=-0.79) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -2 -17.920 -24.707 16.955 1.00 0.00 N ATOM 2 CA GLY A -2 -17.071 -24.269 15.813 1.00 0.00 C ATOM 3 C GLY A -2 -15.636 -24.003 16.226 1.00 0.00 C ATOM 4 O GLY A -2 -15.361 -23.729 17.394 1.00 0.00 O ATOM 0 H1 GLY A -2 -18.042 -25.739 16.921 1.00 0.00 H new ATOM 0 H2 GLY A -2 -17.462 -24.442 17.850 1.00 0.00 H new ATOM 0 H3 GLY A -2 -18.850 -24.246 16.893 1.00 0.00 H new ATOM 0 HA2 GLY A -2 -17.087 -25.035 15.038 1.00 0.00 H new ATOM 0 HA3 GLY A -2 -17.494 -23.364 15.376 1.00 0.00 H new ATOM 10 N SER A -1 -14.721 -24.085 15.264 1.00 0.00 N ATOM 11 CA SER A -1 -13.307 -23.851 15.533 1.00 0.00 C ATOM 12 C SER A -1 -12.645 -23.118 14.370 1.00 0.00 C ATOM 13 O SER A -1 -11.463 -22.780 14.430 1.00 0.00 O ATOM 14 CB SER A -1 -12.590 -25.178 15.790 1.00 0.00 C ATOM 15 OG SER A -1 -13.147 -25.853 16.903 1.00 0.00 O ATOM 0 H SER A -1 -14.934 -24.312 14.293 1.00 0.00 H new ATOM 0 HA SER A -1 -13.230 -23.226 16.423 1.00 0.00 H new ATOM 0 HB2 SER A -1 -12.661 -25.810 14.905 1.00 0.00 H new ATOM 0 HB3 SER A -1 -11.530 -24.994 15.966 1.00 0.00 H new ATOM 0 HG SER A -1 -12.672 -26.698 17.044 1.00 0.00 H new ATOM 21 N HIS A 0 -13.414 -22.878 13.313 1.00 0.00 N ATOM 22 CA HIS A 0 -12.903 -22.186 12.136 1.00 0.00 C ATOM 23 C HIS A 0 -13.961 -21.259 11.547 1.00 0.00 C ATOM 24 O HIS A 0 -14.941 -21.715 10.957 1.00 0.00 O ATOM 25 CB HIS A 0 -12.447 -23.197 11.083 1.00 0.00 C ATOM 26 CG HIS A 0 -11.846 -22.568 9.863 1.00 0.00 C ATOM 27 ND1 HIS A 0 -10.494 -22.335 9.726 1.00 0.00 N ATOM 28 CD2 HIS A 0 -12.420 -22.125 8.720 1.00 0.00 C ATOM 29 CE1 HIS A 0 -10.263 -21.775 8.552 1.00 0.00 C ATOM 30 NE2 HIS A 0 -11.414 -21.639 7.922 1.00 0.00 N ATOM 0 H HIS A 0 -14.394 -23.153 13.248 1.00 0.00 H new ATOM 0 HA HIS A 0 -12.049 -21.582 12.442 1.00 0.00 H new ATOM 0 HB2 HIS A 0 -11.716 -23.870 11.531 1.00 0.00 H new ATOM 0 HB3 HIS A 0 -13.300 -23.806 10.784 1.00 0.00 H new ATOM 0 HD2 HIS A 0 -13.473 -22.149 8.480 1.00 0.00 H new ATOM 0 HE1 HIS A 0 -9.296 -21.479 8.173 1.00 0.00 H new ATOM 0 HE2 HIS A 0 -11.537 -21.238 6.992 1.00 0.00 H new ATOM 39 N MET A 1 -13.758 -19.956 11.712 1.00 0.00 N ATOM 40 CA MET A 1 -14.695 -18.963 11.195 1.00 0.00 C ATOM 41 C MET A 1 -14.063 -18.156 10.067 1.00 0.00 C ATOM 42 O MET A 1 -12.846 -17.978 10.022 1.00 0.00 O ATOM 43 CB MET A 1 -15.151 -18.024 12.315 1.00 0.00 C ATOM 44 CG MET A 1 -15.968 -18.711 13.399 1.00 0.00 C ATOM 45 SD MET A 1 -14.992 -19.857 14.392 1.00 0.00 S ATOM 46 CE MET A 1 -16.235 -20.465 15.529 1.00 0.00 C ATOM 0 H MET A 1 -12.953 -19.562 12.200 1.00 0.00 H new ATOM 0 HA MET A 1 -15.562 -19.492 10.800 1.00 0.00 H new ATOM 0 HB2 MET A 1 -14.274 -17.565 12.771 1.00 0.00 H new ATOM 0 HB3 MET A 1 -15.744 -17.218 11.882 1.00 0.00 H new ATOM 0 HG2 MET A 1 -16.406 -17.955 14.051 1.00 0.00 H new ATOM 0 HG3 MET A 1 -16.794 -19.251 12.937 1.00 0.00 H new ATOM 0 HE1 MET A 1 -15.769 -21.132 16.255 1.00 0.00 H new ATOM 0 HE2 MET A 1 -16.694 -19.625 16.050 1.00 0.00 H new ATOM 0 HE3 MET A 1 -17.000 -21.009 14.975 1.00 0.00 H new ATOM 56 N ILE A 2 -14.900 -17.669 9.154 1.00 0.00 N ATOM 57 CA ILE A 2 -14.424 -16.879 8.024 1.00 0.00 C ATOM 58 C ILE A 2 -14.252 -15.414 8.411 1.00 0.00 C ATOM 59 O ILE A 2 -13.837 -14.591 7.595 1.00 0.00 O ATOM 60 CB ILE A 2 -15.388 -16.975 6.826 1.00 0.00 C ATOM 61 CG1 ILE A 2 -16.790 -16.510 7.233 1.00 0.00 C ATOM 62 CG2 ILE A 2 -15.426 -18.398 6.292 1.00 0.00 C ATOM 63 CD1 ILE A 2 -17.768 -16.443 6.079 1.00 0.00 C ATOM 0 H ILE A 2 -15.910 -17.808 9.176 1.00 0.00 H new ATOM 0 HA ILE A 2 -13.457 -17.290 7.735 1.00 0.00 H new ATOM 0 HB ILE A 2 -15.027 -16.321 6.032 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -17.182 -17.188 7.991 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -16.717 -15.525 7.693 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -16.111 -18.451 5.446 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -14.427 -18.692 5.969 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -15.767 -19.072 7.078 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -18.738 -16.106 6.444 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -17.399 -15.743 5.330 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -17.871 -17.432 5.632 1.00 0.00 H new ATOM 75 N ALA A 3 -14.574 -15.096 9.661 1.00 0.00 N ATOM 76 CA ALA A 3 -14.457 -13.730 10.157 1.00 0.00 C ATOM 77 C ALA A 3 -13.051 -13.460 10.691 1.00 0.00 C ATOM 78 O ALA A 3 -12.361 -14.380 11.129 1.00 0.00 O ATOM 79 CB ALA A 3 -15.495 -13.474 11.240 1.00 0.00 C ATOM 0 H ALA A 3 -14.918 -15.766 10.349 1.00 0.00 H new ATOM 0 HA ALA A 3 -14.639 -13.048 9.326 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -15.398 -12.451 11.603 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -16.494 -13.620 10.828 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -15.338 -14.168 12.066 1.00 0.00 H new ATOM 85 N PRO A 4 -12.608 -12.189 10.663 1.00 0.00 N ATOM 86 CA PRO A 4 -11.277 -11.809 11.149 1.00 0.00 C ATOM 87 C PRO A 4 -11.137 -11.999 12.656 1.00 0.00 C ATOM 88 O PRO A 4 -10.084 -12.415 13.141 1.00 0.00 O ATOM 89 CB PRO A 4 -11.169 -10.325 10.786 1.00 0.00 C ATOM 90 CG PRO A 4 -12.578 -9.855 10.675 1.00 0.00 C ATOM 91 CD PRO A 4 -13.363 -11.028 10.158 1.00 0.00 C ATOM 0 HA PRO A 4 -10.493 -12.425 10.708 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -10.626 -9.770 11.551 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -10.631 -10.186 9.848 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -12.958 -9.527 11.642 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -12.654 -9.005 9.997 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -14.388 -11.022 10.530 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -13.419 -11.027 9.069 1.00 0.00 H new ATOM 99 N LEU A 5 -12.205 -11.694 13.387 1.00 0.00 N ATOM 100 CA LEU A 5 -12.209 -11.830 14.841 1.00 0.00 C ATOM 101 C LEU A 5 -11.128 -10.953 15.471 1.00 0.00 C ATOM 102 O LEU A 5 -10.609 -11.261 16.543 1.00 0.00 O ATOM 103 CB LEU A 5 -11.998 -13.296 15.237 1.00 0.00 C ATOM 104 CG LEU A 5 -12.334 -13.635 16.692 1.00 0.00 C ATOM 105 CD1 LEU A 5 -13.819 -13.436 16.959 1.00 0.00 C ATOM 106 CD2 LEU A 5 -11.917 -15.061 17.017 1.00 0.00 C ATOM 0 H LEU A 5 -13.082 -11.350 12.995 1.00 0.00 H new ATOM 0 HA LEU A 5 -13.179 -11.499 15.213 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -12.607 -13.923 14.585 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -10.957 -13.559 15.051 1.00 0.00 H new ATOM 0 HG LEU A 5 -11.777 -12.959 17.340 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -14.038 -13.682 17.998 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -14.087 -12.397 16.768 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -14.397 -14.086 16.303 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -12.163 -15.285 18.055 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -12.446 -15.753 16.361 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -10.843 -15.169 16.868 1.00 0.00 H new ATOM 118 N SER A 6 -10.800 -9.854 14.794 1.00 0.00 N ATOM 119 CA SER A 6 -9.783 -8.923 15.279 1.00 0.00 C ATOM 120 C SER A 6 -8.423 -9.606 15.389 1.00 0.00 C ATOM 121 O SER A 6 -7.513 -9.098 16.045 1.00 0.00 O ATOM 122 CB SER A 6 -10.192 -8.347 16.637 1.00 0.00 C ATOM 123 OG SER A 6 -11.421 -7.649 16.547 1.00 0.00 O ATOM 0 H SER A 6 -11.225 -9.586 13.906 1.00 0.00 H new ATOM 0 HA SER A 6 -9.701 -8.109 14.558 1.00 0.00 H new ATOM 0 HB2 SER A 6 -10.281 -9.153 17.365 1.00 0.00 H new ATOM 0 HB3 SER A 6 -9.414 -7.675 16.999 1.00 0.00 H new ATOM 0 HG SER A 6 -11.660 -7.293 17.428 1.00 0.00 H new ATOM 129 N VAL A 7 -8.289 -10.757 14.737 1.00 0.00 N ATOM 130 CA VAL A 7 -7.041 -11.510 14.757 1.00 0.00 C ATOM 131 C VAL A 7 -6.550 -11.790 13.341 1.00 0.00 C ATOM 132 O VAL A 7 -7.238 -12.439 12.552 1.00 0.00 O ATOM 133 CB VAL A 7 -7.200 -12.845 15.512 1.00 0.00 C ATOM 134 CG1 VAL A 7 -5.911 -13.651 15.461 1.00 0.00 C ATOM 135 CG2 VAL A 7 -7.624 -12.596 16.952 1.00 0.00 C ATOM 0 H VAL A 7 -9.032 -11.189 14.187 1.00 0.00 H new ATOM 0 HA VAL A 7 -6.307 -10.896 15.279 1.00 0.00 H new ATOM 0 HB VAL A 7 -7.981 -13.425 15.020 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -6.047 -14.589 16.000 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -5.655 -13.863 14.423 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -5.106 -13.080 15.924 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -7.731 -13.549 17.470 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -6.868 -11.993 17.455 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -8.577 -12.067 16.964 1.00 0.00 H new ATOM 145 N LYS A 8 -5.354 -11.299 13.027 1.00 0.00 N ATOM 146 CA LYS A 8 -4.765 -11.489 11.710 1.00 0.00 C ATOM 147 C LYS A 8 -3.349 -10.935 11.684 1.00 0.00 C ATOM 148 O LYS A 8 -3.093 -9.835 12.175 1.00 0.00 O ATOM 149 CB LYS A 8 -5.609 -10.799 10.635 1.00 0.00 C ATOM 150 CG LYS A 8 -5.105 -11.032 9.220 1.00 0.00 C ATOM 151 CD LYS A 8 -5.201 -12.498 8.825 1.00 0.00 C ATOM 152 CE LYS A 8 -4.700 -12.726 7.409 1.00 0.00 C ATOM 153 NZ LYS A 8 -3.277 -12.314 7.249 1.00 0.00 N ATOM 0 H LYS A 8 -4.773 -10.764 13.673 1.00 0.00 H new ATOM 0 HA LYS A 8 -4.737 -12.558 11.500 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -6.637 -11.155 10.708 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -5.628 -9.727 10.833 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -5.685 -10.428 8.522 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -4.069 -10.701 9.143 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -4.618 -13.102 9.520 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -6.236 -12.830 8.904 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -4.803 -13.780 7.153 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -5.321 -12.166 6.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -2.903 -12.696 6.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -3.216 -11.276 7.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -2.718 -12.682 8.045 1.00 0.00 H new ATOM 167 N ASP A 9 -2.431 -11.702 11.112 1.00 0.00 N ATOM 168 CA ASP A 9 -1.039 -11.279 11.022 1.00 0.00 C ATOM 169 C ASP A 9 -0.947 -9.931 10.321 1.00 0.00 C ATOM 170 O ASP A 9 -1.339 -9.797 9.161 1.00 0.00 O ATOM 171 CB ASP A 9 -0.207 -12.319 10.273 1.00 0.00 C ATOM 172 CG ASP A 9 1.271 -11.981 10.267 1.00 0.00 C ATOM 173 OD1 ASP A 9 1.716 -11.283 9.331 1.00 0.00 O ATOM 174 OD2 ASP A 9 1.984 -12.414 11.196 1.00 0.00 O ATOM 0 H ASP A 9 -2.623 -12.617 10.705 1.00 0.00 H new ATOM 0 HA ASP A 9 -0.641 -11.182 12.032 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -0.352 -13.296 10.734 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -0.564 -12.395 9.246 1.00 0.00 H new ATOM 179 N ASN A 10 -0.426 -8.935 11.027 1.00 0.00 N ATOM 180 CA ASN A 10 -0.307 -7.598 10.477 1.00 0.00 C ATOM 181 C ASN A 10 1.127 -7.087 10.516 1.00 0.00 C ATOM 182 O ASN A 10 1.922 -7.355 9.616 1.00 0.00 O ATOM 183 CB ASN A 10 -1.221 -6.636 11.238 1.00 0.00 C ATOM 184 CG ASN A 10 -1.321 -6.932 12.720 1.00 0.00 C ATOM 185 OD1 ASN A 10 -1.264 -8.082 13.152 1.00 0.00 O ATOM 186 ND2 ASN A 10 -1.475 -5.879 13.512 1.00 0.00 N ATOM 0 H ASN A 10 -0.080 -9.032 11.982 1.00 0.00 H new ATOM 0 HA ASN A 10 -0.611 -7.648 9.431 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -0.854 -5.618 11.104 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -2.219 -6.675 10.801 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -1.551 -6.007 14.521 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -1.517 -4.942 13.112 1.00 0.00 H new ATOM 193 N ASP A 11 1.437 -6.343 11.567 1.00 0.00 N ATOM 194 CA ASP A 11 2.753 -5.759 11.747 1.00 0.00 C ATOM 195 C ASP A 11 3.854 -6.802 11.620 1.00 0.00 C ATOM 196 O ASP A 11 4.129 -7.555 12.554 1.00 0.00 O ATOM 197 CB ASP A 11 2.832 -5.066 13.105 1.00 0.00 C ATOM 198 CG ASP A 11 2.125 -5.845 14.198 1.00 0.00 C ATOM 199 OD1 ASP A 11 2.648 -6.901 14.611 1.00 0.00 O ATOM 200 OD2 ASP A 11 1.043 -5.401 14.636 1.00 0.00 O ATOM 0 H ASP A 11 0.781 -6.128 12.318 1.00 0.00 H new ATOM 0 HA ASP A 11 2.906 -5.024 10.956 1.00 0.00 H new ATOM 0 HB2 ASP A 11 3.878 -4.930 13.379 1.00 0.00 H new ATOM 0 HB3 ASP A 11 2.391 -4.072 13.028 1.00 0.00 H new ATOM 205 N LYS A 12 4.471 -6.840 10.448 1.00 0.00 N ATOM 206 CA LYS A 12 5.554 -7.770 10.178 1.00 0.00 C ATOM 207 C LYS A 12 6.904 -7.097 10.428 1.00 0.00 C ATOM 208 O LYS A 12 7.467 -6.452 9.544 1.00 0.00 O ATOM 209 CB LYS A 12 5.463 -8.276 8.737 1.00 0.00 C ATOM 210 CG LYS A 12 6.696 -9.027 8.274 1.00 0.00 C ATOM 211 CD LYS A 12 6.915 -10.300 9.075 1.00 0.00 C ATOM 212 CE LYS A 12 8.138 -11.062 8.590 1.00 0.00 C ATOM 213 NZ LYS A 12 8.362 -12.309 9.370 1.00 0.00 N ATOM 0 H LYS A 12 4.236 -6.231 9.664 1.00 0.00 H new ATOM 0 HA LYS A 12 5.465 -8.622 10.852 1.00 0.00 H new ATOM 0 HB2 LYS A 12 4.595 -8.929 8.645 1.00 0.00 H new ATOM 0 HB3 LYS A 12 5.295 -7.428 8.074 1.00 0.00 H new ATOM 0 HG2 LYS A 12 6.595 -9.275 7.217 1.00 0.00 H new ATOM 0 HG3 LYS A 12 7.571 -8.383 8.368 1.00 0.00 H new ATOM 0 HD2 LYS A 12 7.035 -10.051 10.129 1.00 0.00 H new ATOM 0 HD3 LYS A 12 6.034 -10.937 8.996 1.00 0.00 H new ATOM 0 HE2 LYS A 12 8.016 -11.311 7.536 1.00 0.00 H new ATOM 0 HE3 LYS A 12 9.018 -10.423 8.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 9.205 -12.798 9.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 8.504 -12.071 10.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 7.534 -12.931 9.276 1.00 0.00 H new ATOM 227 N TRP A 13 7.404 -7.246 11.650 1.00 0.00 N ATOM 228 CA TRP A 13 8.675 -6.663 12.048 1.00 0.00 C ATOM 229 C TRP A 13 9.839 -7.459 11.469 1.00 0.00 C ATOM 230 O TRP A 13 10.140 -8.557 11.939 1.00 0.00 O ATOM 231 CB TRP A 13 8.742 -6.624 13.576 1.00 0.00 C ATOM 232 CG TRP A 13 7.415 -6.297 14.206 1.00 0.00 C ATOM 233 CD1 TRP A 13 6.402 -7.171 14.478 1.00 0.00 C ATOM 234 CD2 TRP A 13 6.953 -5.007 14.632 1.00 0.00 C ATOM 235 NE1 TRP A 13 5.334 -6.504 15.029 1.00 0.00 N ATOM 236 CE2 TRP A 13 5.648 -5.174 15.136 1.00 0.00 C ATOM 237 CE3 TRP A 13 7.514 -3.726 14.631 1.00 0.00 C ATOM 238 CZ2 TRP A 13 4.894 -4.109 15.631 1.00 0.00 C ATOM 239 CZ3 TRP A 13 6.767 -2.673 15.126 1.00 0.00 C ATOM 240 CH2 TRP A 13 5.470 -2.869 15.618 1.00 0.00 C ATOM 0 H TRP A 13 6.939 -7.773 12.389 1.00 0.00 H new ATOM 0 HA TRP A 13 8.751 -5.648 11.658 1.00 0.00 H new ATOM 0 HB2 TRP A 13 9.087 -7.590 13.945 1.00 0.00 H new ATOM 0 HB3 TRP A 13 9.479 -5.883 13.885 1.00 0.00 H new ATOM 0 HD1 TRP A 13 6.435 -8.234 14.288 1.00 0.00 H new ATOM 0 HE1 TRP A 13 4.451 -6.929 15.312 1.00 0.00 H new ATOM 0 HE3 TRP A 13 8.512 -3.562 14.251 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 3.894 -4.259 16.010 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 7.192 -1.680 15.134 1.00 0.00 H new ATOM 0 HH2 TRP A 13 4.914 -2.023 15.995 1.00 0.00 H new ATOM 251 N VAL A 14 10.495 -6.907 10.445 1.00 0.00 N ATOM 252 CA VAL A 14 11.614 -7.606 9.812 1.00 0.00 C ATOM 253 C VAL A 14 12.550 -6.646 9.097 1.00 0.00 C ATOM 254 O VAL A 14 12.280 -5.454 8.992 1.00 0.00 O ATOM 255 CB VAL A 14 11.099 -8.666 8.813 1.00 0.00 C ATOM 256 CG1 VAL A 14 10.510 -8.001 7.578 1.00 0.00 C ATOM 257 CG2 VAL A 14 12.190 -9.656 8.432 1.00 0.00 C ATOM 0 H VAL A 14 10.276 -5.995 10.043 1.00 0.00 H new ATOM 0 HA VAL A 14 12.174 -8.098 10.607 1.00 0.00 H new ATOM 0 HB VAL A 14 10.308 -9.230 9.308 1.00 0.00 H new ATOM 0 HG11 VAL A 14 10.154 -8.766 6.888 1.00 0.00 H new ATOM 0 HG12 VAL A 14 9.678 -7.361 7.871 1.00 0.00 H new ATOM 0 HG13 VAL A 14 11.276 -7.399 7.089 1.00 0.00 H new ATOM 0 HG21 VAL A 14 11.790 -10.386 7.728 1.00 0.00 H new ATOM 0 HG22 VAL A 14 13.020 -9.122 7.969 1.00 0.00 H new ATOM 0 HG23 VAL A 14 12.543 -10.170 9.326 1.00 0.00 H new ATOM 267 N ASP A 15 13.659 -7.193 8.622 1.00 0.00 N ATOM 268 CA ASP A 15 14.671 -6.429 7.904 1.00 0.00 C ATOM 269 C ASP A 15 14.431 -6.499 6.397 1.00 0.00 C ATOM 270 O ASP A 15 13.422 -7.045 5.952 1.00 0.00 O ATOM 271 CB ASP A 15 16.053 -6.978 8.246 1.00 0.00 C ATOM 272 CG ASP A 15 16.619 -6.383 9.519 1.00 0.00 C ATOM 273 OD1 ASP A 15 16.228 -6.842 10.613 1.00 0.00 O ATOM 274 OD2 ASP A 15 17.451 -5.457 9.423 1.00 0.00 O ATOM 0 H ASP A 15 13.884 -8.183 8.724 1.00 0.00 H new ATOM 0 HA ASP A 15 14.610 -5.384 8.207 1.00 0.00 H new ATOM 0 HB2 ASP A 15 15.993 -8.061 8.351 1.00 0.00 H new ATOM 0 HB3 ASP A 15 16.735 -6.775 7.420 1.00 0.00 H new ATOM 279 N THR A 16 15.362 -5.951 5.611 1.00 0.00 N ATOM 280 CA THR A 16 15.222 -5.964 4.156 1.00 0.00 C ATOM 281 C THR A 16 16.448 -5.382 3.454 1.00 0.00 C ATOM 282 O THR A 16 17.442 -5.034 4.091 1.00 0.00 O ATOM 283 CB THR A 16 13.980 -5.165 3.713 1.00 0.00 C ATOM 284 OG1 THR A 16 13.583 -5.564 2.396 1.00 0.00 O ATOM 285 CG2 THR A 16 14.257 -3.669 3.728 1.00 0.00 C ATOM 0 H THR A 16 16.210 -5.499 5.954 1.00 0.00 H new ATOM 0 HA THR A 16 15.115 -7.010 3.870 1.00 0.00 H new ATOM 0 HB THR A 16 13.176 -5.376 4.418 1.00 0.00 H new ATOM 0 HG1 THR A 16 13.909 -6.470 2.216 1.00 0.00 H new ATOM 0 HG21 THR A 16 13.364 -3.130 3.411 1.00 0.00 H new ATOM 0 HG22 THR A 16 14.529 -3.359 4.737 1.00 0.00 H new ATOM 0 HG23 THR A 16 15.077 -3.444 3.046 1.00 0.00 H new ATOM 293 N HIS A 17 16.355 -5.285 2.129 1.00 0.00 N ATOM 294 CA HIS A 17 17.427 -4.733 1.308 1.00 0.00 C ATOM 295 C HIS A 17 16.952 -3.446 0.638 1.00 0.00 C ATOM 296 O HIS A 17 15.945 -2.875 1.046 1.00 0.00 O ATOM 297 CB HIS A 17 17.870 -5.752 0.257 1.00 0.00 C ATOM 298 CG HIS A 17 18.999 -6.624 0.709 1.00 0.00 C ATOM 299 ND1 HIS A 17 20.310 -6.416 0.330 1.00 0.00 N ATOM 300 CD2 HIS A 17 19.011 -7.715 1.511 1.00 0.00 C ATOM 301 CE1 HIS A 17 21.077 -7.341 0.880 1.00 0.00 C ATOM 302 NE2 HIS A 17 20.313 -8.140 1.601 1.00 0.00 N ATOM 0 H HIS A 17 15.538 -5.586 1.598 1.00 0.00 H new ATOM 0 HA HIS A 17 18.282 -4.505 1.945 1.00 0.00 H new ATOM 0 HB2 HIS A 17 17.020 -6.380 -0.009 1.00 0.00 H new ATOM 0 HB3 HIS A 17 18.170 -5.222 -0.647 1.00 0.00 H new ATOM 0 HD2 HIS A 17 18.155 -8.167 1.991 1.00 0.00 H new ATOM 0 HE1 HIS A 17 22.147 -7.428 0.760 1.00 0.00 H new ATOM 0 HE2 HIS A 17 20.638 -8.944 2.138 1.00 0.00 H new ATOM 311 N VAL A 18 17.664 -2.991 -0.388 1.00 0.00 N ATOM 312 CA VAL A 18 17.286 -1.759 -1.078 1.00 0.00 C ATOM 313 C VAL A 18 16.353 -2.027 -2.256 1.00 0.00 C ATOM 314 O VAL A 18 16.601 -2.909 -3.079 1.00 0.00 O ATOM 315 CB VAL A 18 18.519 -0.985 -1.584 1.00 0.00 C ATOM 316 CG1 VAL A 18 18.099 0.345 -2.194 1.00 0.00 C ATOM 317 CG2 VAL A 18 19.515 -0.771 -0.454 1.00 0.00 C ATOM 0 H VAL A 18 18.497 -3.449 -0.758 1.00 0.00 H new ATOM 0 HA VAL A 18 16.760 -1.153 -0.340 1.00 0.00 H new ATOM 0 HB VAL A 18 19.006 -1.577 -2.359 1.00 0.00 H new ATOM 0 HG11 VAL A 18 18.982 0.879 -2.546 1.00 0.00 H new ATOM 0 HG12 VAL A 18 17.426 0.164 -3.032 1.00 0.00 H new ATOM 0 HG13 VAL A 18 17.588 0.945 -1.441 1.00 0.00 H new ATOM 0 HG21 VAL A 18 20.379 -0.223 -0.830 1.00 0.00 H new ATOM 0 HG22 VAL A 18 19.042 -0.200 0.345 1.00 0.00 H new ATOM 0 HG23 VAL A 18 19.838 -1.737 -0.066 1.00 0.00 H new ATOM 327 N GLY A 19 15.275 -1.248 -2.320 1.00 0.00 N ATOM 328 CA GLY A 19 14.303 -1.377 -3.391 1.00 0.00 C ATOM 329 C GLY A 19 13.735 -2.774 -3.526 1.00 0.00 C ATOM 330 O GLY A 19 13.215 -3.129 -4.583 1.00 0.00 O ATOM 0 H GLY A 19 15.057 -0.521 -1.639 1.00 0.00 H new ATOM 0 HA2 GLY A 19 13.486 -0.677 -3.216 1.00 0.00 H new ATOM 0 HA3 GLY A 19 14.772 -1.091 -4.333 1.00 0.00 H new ATOM 334 N LYS A 20 13.841 -3.574 -2.470 1.00 0.00 N ATOM 335 CA LYS A 20 13.307 -4.927 -2.499 1.00 0.00 C ATOM 336 C LYS A 20 11.795 -4.880 -2.673 1.00 0.00 C ATOM 337 O LYS A 20 11.044 -4.920 -1.699 1.00 0.00 O ATOM 338 CB LYS A 20 13.671 -5.674 -1.216 1.00 0.00 C ATOM 339 CG LYS A 20 14.042 -7.122 -1.446 1.00 0.00 C ATOM 340 CD LYS A 20 15.458 -7.219 -1.961 1.00 0.00 C ATOM 341 CE LYS A 20 16.029 -8.617 -1.784 1.00 0.00 C ATOM 342 NZ LYS A 20 16.057 -9.028 -0.353 1.00 0.00 N ATOM 0 H LYS A 20 14.288 -3.310 -1.592 1.00 0.00 H new ATOM 0 HA LYS A 20 13.746 -5.461 -3.342 1.00 0.00 H new ATOM 0 HB2 LYS A 20 14.506 -5.166 -0.733 1.00 0.00 H new ATOM 0 HB3 LYS A 20 12.828 -5.628 -0.527 1.00 0.00 H new ATOM 0 HG2 LYS A 20 13.946 -7.682 -0.516 1.00 0.00 H new ATOM 0 HG3 LYS A 20 13.355 -7.572 -2.162 1.00 0.00 H new ATOM 0 HD2 LYS A 20 15.480 -6.948 -3.017 1.00 0.00 H new ATOM 0 HD3 LYS A 20 16.086 -6.500 -1.435 1.00 0.00 H new ATOM 0 HE2 LYS A 20 15.431 -9.328 -2.354 1.00 0.00 H new ATOM 0 HE3 LYS A 20 17.039 -8.651 -2.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 16.987 -9.435 -0.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 15.886 -8.198 0.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 15.317 -9.739 -0.181 1.00 0.00 H new ATOM 356 N THR A 21 11.360 -4.777 -3.924 1.00 0.00 N ATOM 357 CA THR A 21 9.942 -4.700 -4.243 1.00 0.00 C ATOM 358 C THR A 21 9.159 -5.826 -3.582 1.00 0.00 C ATOM 359 O THR A 21 9.138 -6.956 -4.072 1.00 0.00 O ATOM 360 CB THR A 21 9.701 -4.749 -5.761 1.00 0.00 C ATOM 361 OG1 THR A 21 10.667 -3.936 -6.438 1.00 0.00 O ATOM 362 CG2 THR A 21 8.300 -4.259 -6.095 1.00 0.00 C ATOM 0 H THR A 21 11.975 -4.745 -4.737 1.00 0.00 H new ATOM 0 HA THR A 21 9.590 -3.744 -3.856 1.00 0.00 H new ATOM 0 HB THR A 21 9.802 -5.783 -6.092 1.00 0.00 H new ATOM 0 HG1 THR A 21 10.507 -3.974 -7.404 1.00 0.00 H new ATOM 0 HG21 THR A 21 8.147 -4.301 -7.173 1.00 0.00 H new ATOM 0 HG22 THR A 21 7.565 -4.893 -5.600 1.00 0.00 H new ATOM 0 HG23 THR A 21 8.182 -3.231 -5.751 1.00 0.00 H new ATOM 370 N THR A 22 8.523 -5.508 -2.462 1.00 0.00 N ATOM 371 CA THR A 22 7.731 -6.485 -1.730 1.00 0.00 C ATOM 372 C THR A 22 6.254 -6.338 -2.062 1.00 0.00 C ATOM 373 O THR A 22 5.578 -5.437 -1.562 1.00 0.00 O ATOM 374 CB THR A 22 7.940 -6.349 -0.207 1.00 0.00 C ATOM 375 OG1 THR A 22 9.281 -6.715 0.136 1.00 0.00 O ATOM 376 CG2 THR A 22 6.960 -7.218 0.571 1.00 0.00 C ATOM 0 H THR A 22 8.541 -4.579 -2.041 1.00 0.00 H new ATOM 0 HA THR A 22 8.068 -7.475 -2.037 1.00 0.00 H new ATOM 0 HB THR A 22 7.760 -5.308 0.062 1.00 0.00 H new ATOM 0 HG1 THR A 22 9.911 -6.204 -0.414 1.00 0.00 H new ATOM 0 HG21 THR A 22 7.136 -7.097 1.640 1.00 0.00 H new ATOM 0 HG22 THR A 22 5.940 -6.916 0.335 1.00 0.00 H new ATOM 0 HG23 THR A 22 7.102 -8.263 0.296 1.00 0.00 H new ATOM 384 N GLU A 23 5.771 -7.220 -2.932 1.00 0.00 N ATOM 385 CA GLU A 23 4.382 -7.220 -3.345 1.00 0.00 C ATOM 386 C GLU A 23 3.502 -7.821 -2.267 1.00 0.00 C ATOM 387 O GLU A 23 3.816 -8.871 -1.705 1.00 0.00 O ATOM 388 CB GLU A 23 4.231 -8.013 -4.639 1.00 0.00 C ATOM 389 CG GLU A 23 2.876 -7.837 -5.301 1.00 0.00 C ATOM 390 CD GLU A 23 2.805 -8.489 -6.667 1.00 0.00 C ATOM 391 OE1 GLU A 23 3.126 -7.810 -7.666 1.00 0.00 O ATOM 392 OE2 GLU A 23 2.427 -9.677 -6.740 1.00 0.00 O ATOM 0 H GLU A 23 6.334 -7.951 -3.366 1.00 0.00 H new ATOM 0 HA GLU A 23 4.068 -6.189 -3.511 1.00 0.00 H new ATOM 0 HB2 GLU A 23 5.010 -7.707 -5.337 1.00 0.00 H new ATOM 0 HB3 GLU A 23 4.389 -9.071 -4.429 1.00 0.00 H new ATOM 0 HG2 GLU A 23 2.104 -8.262 -4.659 1.00 0.00 H new ATOM 0 HG3 GLU A 23 2.659 -6.773 -5.399 1.00 0.00 H new ATOM 399 N ILE A 24 2.401 -7.149 -1.984 1.00 0.00 N ATOM 400 CA ILE A 24 1.475 -7.610 -0.968 1.00 0.00 C ATOM 401 C ILE A 24 0.044 -7.600 -1.481 1.00 0.00 C ATOM 402 O ILE A 24 -0.628 -6.575 -1.437 1.00 0.00 O ATOM 403 CB ILE A 24 1.553 -6.724 0.279 1.00 0.00 C ATOM 404 CG1 ILE A 24 3.011 -6.490 0.678 1.00 0.00 C ATOM 405 CG2 ILE A 24 0.771 -7.352 1.423 1.00 0.00 C ATOM 406 CD1 ILE A 24 3.179 -5.496 1.805 1.00 0.00 C ATOM 0 H ILE A 24 2.127 -6.281 -2.445 1.00 0.00 H new ATOM 0 HA ILE A 24 1.760 -8.631 -0.715 1.00 0.00 H new ATOM 0 HB ILE A 24 1.105 -5.757 0.050 1.00 0.00 H new ATOM 0 HG12 ILE A 24 3.455 -7.441 0.974 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.565 -6.137 -0.192 1.00 0.00 H new ATOM 0 HG21 ILE A 24 0.835 -6.711 2.303 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -0.273 -7.464 1.131 1.00 0.00 H new ATOM 0 HG23 ILE A 24 1.190 -8.331 1.656 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.239 -5.381 2.034 1.00 0.00 H new ATOM 0 HD12 ILE A 24 2.766 -4.533 1.505 1.00 0.00 H new ATOM 0 HD13 ILE A 24 2.654 -5.857 2.690 1.00 0.00 H new ATOM 418 N HIS A 25 -0.412 -8.743 -1.974 1.00 0.00 N ATOM 419 CA HIS A 25 -1.773 -8.868 -2.477 1.00 0.00 C ATOM 420 C HIS A 25 -2.726 -9.171 -1.331 1.00 0.00 C ATOM 421 O HIS A 25 -3.133 -10.315 -1.130 1.00 0.00 O ATOM 422 CB HIS A 25 -1.856 -9.971 -3.531 1.00 0.00 C ATOM 423 CG HIS A 25 -1.473 -9.525 -4.907 1.00 0.00 C ATOM 424 ND1 HIS A 25 -2.195 -9.857 -6.035 1.00 0.00 N ATOM 425 CD2 HIS A 25 -0.432 -8.775 -5.338 1.00 0.00 C ATOM 426 CE1 HIS A 25 -1.614 -9.330 -7.098 1.00 0.00 C ATOM 427 NE2 HIS A 25 -0.543 -8.668 -6.701 1.00 0.00 N ATOM 0 H HIS A 25 0.141 -9.598 -2.036 1.00 0.00 H new ATOM 0 HA HIS A 25 -2.060 -7.924 -2.939 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -1.207 -10.794 -3.233 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -2.874 -10.360 -3.556 1.00 0.00 H new ATOM 0 HD2 HIS A 25 0.342 -8.341 -4.723 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -1.957 -9.425 -8.118 1.00 0.00 H new ATOM 0 HE2 HIS A 25 0.098 -8.159 -7.309 1.00 0.00 H new ATOM 436 N LEU A 26 -3.069 -8.137 -0.574 1.00 0.00 N ATOM 437 CA LEU A 26 -3.962 -8.291 0.567 1.00 0.00 C ATOM 438 C LEU A 26 -5.380 -8.619 0.120 1.00 0.00 C ATOM 439 O LEU A 26 -5.755 -8.377 -1.028 1.00 0.00 O ATOM 440 CB LEU A 26 -3.972 -7.014 1.405 1.00 0.00 C ATOM 441 CG LEU A 26 -2.625 -6.627 2.023 1.00 0.00 C ATOM 442 CD1 LEU A 26 -2.711 -5.252 2.666 1.00 0.00 C ATOM 443 CD2 LEU A 26 -2.188 -7.667 3.045 1.00 0.00 C ATOM 0 H LEU A 26 -2.743 -7.183 -0.729 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.591 -9.120 1.170 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.316 -6.191 0.779 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.701 -7.131 2.207 1.00 0.00 H new ATOM 0 HG LEU A 26 -1.879 -6.591 1.229 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.746 -4.992 3.100 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.980 -4.513 1.911 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.470 -5.263 3.449 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.229 -7.375 3.474 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.934 -7.735 3.837 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.088 -8.637 2.557 1.00 0.00 H new ATOM 455 N LYS A 27 -6.163 -9.173 1.039 1.00 0.00 N ATOM 456 CA LYS A 27 -7.547 -9.526 0.755 1.00 0.00 C ATOM 457 C LYS A 27 -8.487 -8.658 1.579 1.00 0.00 C ATOM 458 O LYS A 27 -8.068 -8.022 2.546 1.00 0.00 O ATOM 459 CB LYS A 27 -7.803 -11.002 1.062 1.00 0.00 C ATOM 460 CG LYS A 27 -6.715 -11.932 0.547 1.00 0.00 C ATOM 461 CD LYS A 27 -7.013 -13.382 0.892 1.00 0.00 C ATOM 462 CE LYS A 27 -5.921 -14.311 0.388 1.00 0.00 C ATOM 463 NZ LYS A 27 -5.769 -14.238 -1.092 1.00 0.00 N ATOM 0 H LYS A 27 -5.861 -9.387 1.989 1.00 0.00 H new ATOM 0 HA LYS A 27 -7.734 -9.354 -0.305 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -7.896 -11.129 2.141 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -8.757 -11.295 0.623 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -6.625 -11.825 -0.534 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -5.755 -11.644 0.977 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -7.111 -13.487 1.972 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -7.969 -13.672 0.455 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -4.975 -14.051 0.863 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -6.153 -15.335 0.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -5.181 -15.031 -1.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -6.706 -14.293 -1.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -5.314 -13.339 -1.350 1.00 0.00 H new ATOM 477 N GLY A 28 -9.757 -8.636 1.198 1.00 0.00 N ATOM 478 CA GLY A 28 -10.727 -7.829 1.914 1.00 0.00 C ATOM 479 C GLY A 28 -11.979 -7.561 1.104 1.00 0.00 C ATOM 480 O GLY A 28 -12.412 -8.406 0.318 1.00 0.00 O ATOM 0 H GLY A 28 -10.133 -9.161 0.408 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -11.000 -8.334 2.840 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -10.269 -6.880 2.192 1.00 0.00 H new ATOM 484 N ASN A 29 -12.560 -6.380 1.293 1.00 0.00 N ATOM 485 CA ASN A 29 -13.770 -5.992 0.578 1.00 0.00 C ATOM 486 C ASN A 29 -14.087 -4.514 0.810 1.00 0.00 C ATOM 487 O ASN A 29 -14.546 -4.138 1.888 1.00 0.00 O ATOM 488 CB ASN A 29 -14.952 -6.853 1.031 1.00 0.00 C ATOM 489 CG ASN A 29 -16.240 -6.490 0.317 1.00 0.00 C ATOM 490 OD1 ASN A 29 -16.225 -6.052 -0.833 1.00 0.00 O ATOM 491 ND2 ASN A 29 -17.364 -6.669 1.000 1.00 0.00 N ATOM 0 H ASN A 29 -12.210 -5.672 1.939 1.00 0.00 H new ATOM 0 HA ASN A 29 -13.600 -6.149 -0.487 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -14.723 -7.903 0.850 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -15.091 -6.738 2.106 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -18.262 -6.441 0.573 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -17.330 -7.035 1.952 1.00 0.00 H new ATOM 498 N PRO A 30 -13.843 -3.651 -0.197 1.00 0.00 N ATOM 499 CA PRO A 30 -14.110 -2.212 -0.084 1.00 0.00 C ATOM 500 C PRO A 30 -15.575 -1.918 0.220 1.00 0.00 C ATOM 501 O PRO A 30 -15.905 -0.866 0.771 1.00 0.00 O ATOM 502 CB PRO A 30 -13.728 -1.655 -1.461 1.00 0.00 C ATOM 503 CG PRO A 30 -13.701 -2.836 -2.370 1.00 0.00 C ATOM 504 CD PRO A 30 -13.292 -4.001 -1.517 1.00 0.00 C ATOM 0 HA PRO A 30 -13.550 -1.763 0.736 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -14.452 -0.914 -1.800 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -12.757 -1.161 -1.430 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -14.679 -3.005 -2.820 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -12.996 -2.684 -3.188 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -13.703 -4.939 -1.890 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -12.209 -4.118 -1.485 1.00 0.00 H new ATOM 512 N THR A 31 -16.449 -2.852 -0.140 1.00 0.00 N ATOM 513 CA THR A 31 -17.874 -2.698 0.092 1.00 0.00 C ATOM 514 C THR A 31 -18.178 -2.545 1.578 1.00 0.00 C ATOM 515 O THR A 31 -19.172 -1.923 1.957 1.00 0.00 O ATOM 516 CB THR A 31 -18.649 -3.907 -0.460 1.00 0.00 C ATOM 517 OG1 THR A 31 -18.253 -4.166 -1.812 1.00 0.00 O ATOM 518 CG2 THR A 31 -20.142 -3.655 -0.408 1.00 0.00 C ATOM 0 H THR A 31 -16.190 -3.727 -0.596 1.00 0.00 H new ATOM 0 HA THR A 31 -18.192 -1.795 -0.429 1.00 0.00 H new ATOM 0 HB THR A 31 -18.418 -4.774 0.159 1.00 0.00 H new ATOM 0 HG1 THR A 31 -17.511 -4.806 -1.819 1.00 0.00 H new ATOM 0 HG21 THR A 31 -20.671 -4.522 -0.803 1.00 0.00 H new ATOM 0 HG22 THR A 31 -20.446 -3.483 0.625 1.00 0.00 H new ATOM 0 HG23 THR A 31 -20.384 -2.778 -1.008 1.00 0.00 H new ATOM 526 N THR A 32 -17.317 -3.114 2.417 1.00 0.00 N ATOM 527 CA THR A 32 -17.493 -3.039 3.862 1.00 0.00 C ATOM 528 C THR A 32 -17.508 -1.590 4.336 1.00 0.00 C ATOM 529 O THR A 32 -18.242 -1.236 5.259 1.00 0.00 O ATOM 530 CB THR A 32 -16.380 -3.799 4.607 1.00 0.00 C ATOM 531 OG1 THR A 32 -15.107 -3.205 4.325 1.00 0.00 O ATOM 532 CG2 THR A 32 -16.363 -5.265 4.202 1.00 0.00 C ATOM 0 H THR A 32 -16.490 -3.632 2.120 1.00 0.00 H new ATOM 0 HA THR A 32 -18.452 -3.505 4.088 1.00 0.00 H new ATOM 0 HB THR A 32 -16.580 -3.736 5.677 1.00 0.00 H new ATOM 0 HG1 THR A 32 -14.949 -3.214 3.358 1.00 0.00 H new ATOM 0 HG21 THR A 32 -15.569 -5.782 4.741 1.00 0.00 H new ATOM 0 HG22 THR A 32 -17.323 -5.721 4.445 1.00 0.00 H new ATOM 0 HG23 THR A 32 -16.185 -5.344 3.130 1.00 0.00 H new ATOM 540 N GLY A 33 -16.694 -0.756 3.696 1.00 0.00 N ATOM 541 CA GLY A 33 -16.630 0.647 4.063 1.00 0.00 C ATOM 542 C GLY A 33 -15.214 1.119 4.330 1.00 0.00 C ATOM 543 O GLY A 33 -14.957 2.321 4.389 1.00 0.00 O ATOM 0 H GLY A 33 -16.078 -1.027 2.930 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -17.064 1.247 3.263 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -17.238 0.814 4.952 1.00 0.00 H new ATOM 547 N TYR A 34 -14.293 0.173 4.490 1.00 0.00 N ATOM 548 CA TYR A 34 -12.898 0.507 4.756 1.00 0.00 C ATOM 549 C TYR A 34 -12.040 0.346 3.503 1.00 0.00 C ATOM 550 O TYR A 34 -12.546 0.061 2.417 1.00 0.00 O ATOM 551 CB TYR A 34 -12.339 -0.366 5.881 1.00 0.00 C ATOM 552 CG TYR A 34 -12.979 -0.115 7.228 1.00 0.00 C ATOM 553 CD1 TYR A 34 -14.216 -0.663 7.541 1.00 0.00 C ATOM 554 CD2 TYR A 34 -12.344 0.666 8.190 1.00 0.00 C ATOM 555 CE1 TYR A 34 -14.805 -0.442 8.771 1.00 0.00 C ATOM 556 CE2 TYR A 34 -12.928 0.891 9.421 1.00 0.00 C ATOM 557 CZ TYR A 34 -14.157 0.336 9.707 1.00 0.00 C ATOM 558 OH TYR A 34 -14.741 0.559 10.933 1.00 0.00 O ATOM 0 H TYR A 34 -14.487 -0.827 4.440 1.00 0.00 H new ATOM 0 HA TYR A 34 -12.865 1.552 5.065 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -12.474 -1.414 5.615 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -11.266 -0.194 5.962 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -14.727 -1.273 6.810 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -11.381 1.102 7.970 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -15.767 -0.876 8.998 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -12.424 1.500 10.157 1.00 0.00 H new ATOM 0 HH TYR A 34 -14.071 0.914 11.555 1.00 0.00 H new ATOM 568 N MET A 35 -10.737 0.534 3.674 1.00 0.00 N ATOM 569 CA MET A 35 -9.784 0.431 2.600 1.00 0.00 C ATOM 570 C MET A 35 -8.459 -0.083 3.134 1.00 0.00 C ATOM 571 O MET A 35 -8.118 0.143 4.294 1.00 0.00 O ATOM 572 CB MET A 35 -9.570 1.803 1.975 1.00 0.00 C ATOM 573 CG MET A 35 -8.264 1.917 1.225 1.00 0.00 C ATOM 574 SD MET A 35 -7.925 3.593 0.649 1.00 0.00 S ATOM 575 CE MET A 35 -6.902 3.262 -0.784 1.00 0.00 C ATOM 0 H MET A 35 -10.318 0.764 4.575 1.00 0.00 H new ATOM 0 HA MET A 35 -10.167 -0.261 1.850 1.00 0.00 H new ATOM 0 HB2 MET A 35 -10.393 2.017 1.293 1.00 0.00 H new ATOM 0 HB3 MET A 35 -9.599 2.561 2.758 1.00 0.00 H new ATOM 0 HG2 MET A 35 -7.450 1.590 1.872 1.00 0.00 H new ATOM 0 HG3 MET A 35 -8.283 1.242 0.370 1.00 0.00 H new ATOM 0 HE1 MET A 35 -6.071 3.967 -0.809 1.00 0.00 H new ATOM 0 HE2 MET A 35 -6.513 2.245 -0.727 1.00 0.00 H new ATOM 0 HE3 MET A 35 -7.498 3.372 -1.690 1.00 0.00 H new ATOM 585 N TRP A 36 -7.710 -0.756 2.281 1.00 0.00 N ATOM 586 CA TRP A 36 -6.413 -1.276 2.667 1.00 0.00 C ATOM 587 C TRP A 36 -5.307 -0.466 2.008 1.00 0.00 C ATOM 588 O TRP A 36 -4.950 -0.705 0.855 1.00 0.00 O ATOM 589 CB TRP A 36 -6.290 -2.746 2.285 1.00 0.00 C ATOM 590 CG TRP A 36 -6.501 -3.673 3.444 1.00 0.00 C ATOM 591 CD1 TRP A 36 -7.452 -4.648 3.557 1.00 0.00 C ATOM 592 CD2 TRP A 36 -5.752 -3.703 4.664 1.00 0.00 C ATOM 593 NE1 TRP A 36 -7.338 -5.281 4.771 1.00 0.00 N ATOM 594 CE2 TRP A 36 -6.302 -4.720 5.468 1.00 0.00 C ATOM 595 CE3 TRP A 36 -4.668 -2.969 5.155 1.00 0.00 C ATOM 596 CZ2 TRP A 36 -5.806 -5.020 6.733 1.00 0.00 C ATOM 597 CZ3 TRP A 36 -4.177 -3.269 6.411 1.00 0.00 C ATOM 598 CH2 TRP A 36 -4.746 -4.286 7.186 1.00 0.00 C ATOM 0 H TRP A 36 -7.978 -0.955 1.317 1.00 0.00 H new ATOM 0 HA TRP A 36 -6.314 -1.192 3.749 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -7.018 -2.975 1.507 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -5.302 -2.924 1.860 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -8.186 -4.886 2.802 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -7.929 -6.045 5.099 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -4.223 -2.182 4.564 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -6.242 -5.804 7.334 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -3.340 -2.709 6.801 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -4.338 -4.495 8.164 1.00 0.00 H new ATOM 609 N THR A 37 -4.769 0.499 2.747 1.00 0.00 N ATOM 610 CA THR A 37 -3.715 1.357 2.221 1.00 0.00 C ATOM 611 C THR A 37 -2.748 1.776 3.331 1.00 0.00 C ATOM 612 O THR A 37 -2.769 1.202 4.418 1.00 0.00 O ATOM 613 CB THR A 37 -4.318 2.605 1.556 1.00 0.00 C ATOM 614 OG1 THR A 37 -3.314 3.303 0.813 1.00 0.00 O ATOM 615 CG2 THR A 37 -4.918 3.532 2.601 1.00 0.00 C ATOM 0 H THR A 37 -5.044 0.705 3.707 1.00 0.00 H new ATOM 0 HA THR A 37 -3.162 0.789 1.473 1.00 0.00 H new ATOM 0 HB THR A 37 -5.108 2.282 0.878 1.00 0.00 H new ATOM 0 HG1 THR A 37 -3.492 3.209 -0.146 1.00 0.00 H new ATOM 0 HG21 THR A 37 -5.340 4.409 2.110 1.00 0.00 H new ATOM 0 HG22 THR A 37 -5.704 3.007 3.144 1.00 0.00 H new ATOM 0 HG23 THR A 37 -4.141 3.845 3.299 1.00 0.00 H new ATOM 623 N ARG A 38 -1.903 2.774 3.063 1.00 0.00 N ATOM 624 CA ARG A 38 -0.942 3.236 4.057 1.00 0.00 C ATOM 625 C ARG A 38 -1.571 4.259 5.002 1.00 0.00 C ATOM 626 O ARG A 38 -2.547 4.925 4.653 1.00 0.00 O ATOM 627 CB ARG A 38 0.300 3.826 3.377 1.00 0.00 C ATOM 628 CG ARG A 38 1.378 2.808 3.090 1.00 0.00 C ATOM 629 CD ARG A 38 2.417 3.344 2.119 1.00 0.00 C ATOM 630 NE ARG A 38 2.680 4.771 2.269 1.00 0.00 N ATOM 631 CZ ARG A 38 3.891 5.265 2.523 1.00 0.00 C ATOM 632 NH1 ARG A 38 4.906 4.447 2.765 1.00 0.00 N ATOM 633 NH2 ARG A 38 4.088 6.574 2.546 1.00 0.00 N ATOM 0 H ARG A 38 -1.867 3.272 2.173 1.00 0.00 H new ATOM 0 HA ARG A 38 -0.636 2.374 4.650 1.00 0.00 H new ATOM 0 HB2 ARG A 38 0.001 4.298 2.441 1.00 0.00 H new ATOM 0 HB3 ARG A 38 0.713 4.610 4.012 1.00 0.00 H new ATOM 0 HG2 ARG A 38 1.865 2.522 4.022 1.00 0.00 H new ATOM 0 HG3 ARG A 38 0.926 1.906 2.677 1.00 0.00 H new ATOM 0 HD2 ARG A 38 3.349 2.795 2.258 1.00 0.00 H new ATOM 0 HD3 ARG A 38 2.083 3.151 1.100 1.00 0.00 H new ATOM 0 HE ARG A 38 1.900 5.421 2.175 1.00 0.00 H new ATOM 0 HH11 ARG A 38 4.761 3.437 2.757 1.00 0.00 H new ATOM 0 HH12 ARG A 38 5.832 4.827 2.959 1.00 0.00 H new ATOM 0 HH21 ARG A 38 3.310 7.210 2.369 1.00 0.00 H new ATOM 0 HH22 ARG A 38 5.017 6.947 2.741 1.00 0.00 H new ATOM 647 N VAL A 39 -1.004 4.375 6.203 1.00 0.00 N ATOM 648 CA VAL A 39 -1.511 5.303 7.211 1.00 0.00 C ATOM 649 C VAL A 39 -1.154 6.746 6.870 1.00 0.00 C ATOM 650 O VAL A 39 -0.007 7.051 6.545 1.00 0.00 O ATOM 651 CB VAL A 39 -0.954 4.971 8.610 1.00 0.00 C ATOM 652 CG1 VAL A 39 -1.569 5.881 9.662 1.00 0.00 C ATOM 653 CG2 VAL A 39 -1.194 3.507 8.954 1.00 0.00 C ATOM 0 H VAL A 39 -0.191 3.836 6.501 1.00 0.00 H new ATOM 0 HA VAL A 39 -2.595 5.193 7.218 1.00 0.00 H new ATOM 0 HB VAL A 39 0.122 5.143 8.598 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.163 5.631 10.642 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.335 6.919 9.427 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -2.651 5.746 9.672 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.793 3.296 9.945 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.264 3.302 8.944 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -0.697 2.874 8.219 1.00 0.00 H new ATOM 663 N GLY A 40 -2.141 7.633 6.962 1.00 0.00 N ATOM 664 CA GLY A 40 -1.911 9.034 6.659 1.00 0.00 C ATOM 665 C GLY A 40 -1.927 9.309 5.170 1.00 0.00 C ATOM 666 O GLY A 40 -1.668 10.431 4.734 1.00 0.00 O ATOM 0 H GLY A 40 -3.096 7.406 7.241 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.675 9.639 7.146 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -0.950 9.340 7.073 1.00 0.00 H new ATOM 670 N PHE A 41 -2.233 8.278 4.389 1.00 0.00 N ATOM 671 CA PHE A 41 -2.283 8.401 2.938 1.00 0.00 C ATOM 672 C PHE A 41 -3.609 7.885 2.408 1.00 0.00 C ATOM 673 O PHE A 41 -3.826 7.815 1.200 1.00 0.00 O ATOM 674 CB PHE A 41 -1.121 7.638 2.312 1.00 0.00 C ATOM 675 CG PHE A 41 0.201 8.067 2.870 1.00 0.00 C ATOM 676 CD1 PHE A 41 0.757 9.283 2.516 1.00 0.00 C ATOM 677 CD2 PHE A 41 0.872 7.260 3.766 1.00 0.00 C ATOM 678 CE1 PHE A 41 1.966 9.688 3.050 1.00 0.00 C ATOM 679 CE2 PHE A 41 2.083 7.654 4.303 1.00 0.00 C ATOM 680 CZ PHE A 41 2.630 8.873 3.945 1.00 0.00 C ATOM 0 H PHE A 41 -2.451 7.345 4.739 1.00 0.00 H new ATOM 0 HA PHE A 41 -2.196 9.454 2.669 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -1.256 6.570 2.482 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -1.126 7.793 1.233 1.00 0.00 H new ATOM 0 HD1 PHE A 41 0.241 9.923 1.815 1.00 0.00 H new ATOM 0 HD2 PHE A 41 0.446 6.309 4.051 1.00 0.00 H new ATOM 0 HE1 PHE A 41 2.390 10.640 2.768 1.00 0.00 H new ATOM 0 HE2 PHE A 41 2.601 7.012 5.000 1.00 0.00 H new ATOM 0 HZ PHE A 41 3.574 9.187 4.365 1.00 0.00 H new ATOM 690 N VAL A 42 -4.483 7.509 3.332 1.00 0.00 N ATOM 691 CA VAL A 42 -5.809 7.011 2.983 1.00 0.00 C ATOM 692 C VAL A 42 -6.461 7.887 1.918 1.00 0.00 C ATOM 693 O VAL A 42 -6.454 9.115 2.019 1.00 0.00 O ATOM 694 CB VAL A 42 -6.724 6.953 4.222 1.00 0.00 C ATOM 695 CG1 VAL A 42 -6.738 8.293 4.942 1.00 0.00 C ATOM 696 CG2 VAL A 42 -8.132 6.534 3.831 1.00 0.00 C ATOM 0 H VAL A 42 -4.297 7.539 4.334 1.00 0.00 H new ATOM 0 HA VAL A 42 -5.680 6.004 2.587 1.00 0.00 H new ATOM 0 HB VAL A 42 -6.326 6.204 4.907 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -7.390 8.231 5.814 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -5.727 8.545 5.262 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -7.107 9.065 4.267 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -8.761 6.499 4.720 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -8.543 7.254 3.123 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -8.103 5.547 3.369 1.00 0.00 H new ATOM 706 N GLY A 43 -7.021 7.249 0.895 1.00 0.00 N ATOM 707 CA GLY A 43 -7.665 7.985 -0.177 1.00 0.00 C ATOM 708 C GLY A 43 -6.734 8.227 -1.349 1.00 0.00 C ATOM 709 O GLY A 43 -7.168 8.247 -2.501 1.00 0.00 O ATOM 0 H GLY A 43 -7.040 6.235 0.790 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.540 7.433 -0.519 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.021 8.942 0.205 1.00 0.00 H new ATOM 713 N LYS A 44 -5.451 8.412 -1.054 1.00 0.00 N ATOM 714 CA LYS A 44 -4.453 8.652 -2.084 1.00 0.00 C ATOM 715 C LYS A 44 -4.258 7.413 -2.953 1.00 0.00 C ATOM 716 O LYS A 44 -5.039 6.463 -2.880 1.00 0.00 O ATOM 717 CB LYS A 44 -3.126 9.053 -1.439 1.00 0.00 C ATOM 718 CG LYS A 44 -3.234 10.262 -0.525 1.00 0.00 C ATOM 719 CD LYS A 44 -1.871 10.684 -0.002 1.00 0.00 C ATOM 720 CE LYS A 44 -1.974 11.901 0.900 1.00 0.00 C ATOM 721 NZ LYS A 44 -2.548 13.076 0.187 1.00 0.00 N ATOM 0 H LYS A 44 -5.079 8.400 -0.104 1.00 0.00 H new ATOM 0 HA LYS A 44 -4.804 9.464 -2.721 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -2.740 8.209 -0.867 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -2.400 9.265 -2.224 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.690 11.090 -1.067 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -3.891 10.029 0.313 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -1.420 9.859 0.549 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -1.211 10.906 -0.841 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -2.595 11.661 1.763 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -0.985 12.155 1.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -2.385 13.936 0.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -2.090 13.177 -0.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -3.570 12.937 0.055 1.00 0.00 H new ATOM 735 N ASP A 45 -3.213 7.427 -3.774 1.00 0.00 N ATOM 736 CA ASP A 45 -2.921 6.307 -4.658 1.00 0.00 C ATOM 737 C ASP A 45 -1.472 5.855 -4.516 1.00 0.00 C ATOM 738 O ASP A 45 -1.190 4.661 -4.405 1.00 0.00 O ATOM 739 CB ASP A 45 -3.199 6.701 -6.108 1.00 0.00 C ATOM 740 CG ASP A 45 -4.342 5.912 -6.715 1.00 0.00 C ATOM 741 OD1 ASP A 45 -4.081 4.839 -7.296 1.00 0.00 O ATOM 742 OD2 ASP A 45 -5.501 6.369 -6.609 1.00 0.00 O ATOM 0 H ASP A 45 -2.554 8.203 -3.845 1.00 0.00 H new ATOM 0 HA ASP A 45 -3.567 5.476 -4.375 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -3.432 7.765 -6.154 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -2.299 6.546 -6.702 1.00 0.00 H new ATOM 747 N VAL A 46 -0.558 6.817 -4.522 1.00 0.00 N ATOM 748 CA VAL A 46 0.865 6.525 -4.405 1.00 0.00 C ATOM 749 C VAL A 46 1.249 6.146 -2.977 1.00 0.00 C ATOM 750 O VAL A 46 1.944 5.153 -2.764 1.00 0.00 O ATOM 751 CB VAL A 46 1.717 7.723 -4.869 1.00 0.00 C ATOM 752 CG1 VAL A 46 1.278 8.997 -4.165 1.00 0.00 C ATOM 753 CG2 VAL A 46 3.197 7.458 -4.641 1.00 0.00 C ATOM 0 H VAL A 46 -0.778 7.809 -4.607 1.00 0.00 H new ATOM 0 HA VAL A 46 1.066 5.672 -5.053 1.00 0.00 H new ATOM 0 HB VAL A 46 1.563 7.856 -5.940 1.00 0.00 H new ATOM 0 HG11 VAL A 46 1.891 9.831 -4.506 1.00 0.00 H new ATOM 0 HG12 VAL A 46 0.232 9.198 -4.395 1.00 0.00 H new ATOM 0 HG13 VAL A 46 1.396 8.877 -3.088 1.00 0.00 H new ATOM 0 HG21 VAL A 46 3.777 8.318 -4.977 1.00 0.00 H new ATOM 0 HG22 VAL A 46 3.377 7.291 -3.579 1.00 0.00 H new ATOM 0 HG23 VAL A 46 3.499 6.575 -5.204 1.00 0.00 H new ATOM 763 N LEU A 47 0.779 6.935 -2.009 1.00 0.00 N ATOM 764 CA LEU A 47 1.059 6.703 -0.595 1.00 0.00 C ATOM 765 C LEU A 47 2.513 7.032 -0.266 1.00 0.00 C ATOM 766 O LEU A 47 2.794 7.897 0.565 1.00 0.00 O ATOM 767 CB LEU A 47 0.741 5.258 -0.214 1.00 0.00 C ATOM 768 CG LEU A 47 -0.497 4.661 -0.894 1.00 0.00 C ATOM 769 CD1 LEU A 47 -0.642 3.188 -0.540 1.00 0.00 C ATOM 770 CD2 LEU A 47 -1.748 5.432 -0.503 1.00 0.00 C ATOM 0 H LEU A 47 0.194 7.752 -2.185 1.00 0.00 H new ATOM 0 HA LEU A 47 0.419 7.365 -0.012 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.604 4.637 -0.456 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.603 5.206 0.866 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.369 4.744 -1.973 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -1.526 2.781 -1.031 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.242 2.645 -0.875 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.746 3.082 0.540 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -2.615 4.993 -0.996 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -1.882 5.384 0.578 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -1.645 6.473 -0.810 1.00 0.00 H new ATOM 782 N SER A 48 3.423 6.323 -0.921 1.00 0.00 N ATOM 783 CA SER A 48 4.859 6.512 -0.746 1.00 0.00 C ATOM 784 C SER A 48 5.268 7.982 -0.837 1.00 0.00 C ATOM 785 O SER A 48 4.434 8.862 -1.050 1.00 0.00 O ATOM 786 CB SER A 48 5.598 5.720 -1.817 1.00 0.00 C ATOM 787 OG SER A 48 5.529 6.369 -3.075 1.00 0.00 O ATOM 0 H SER A 48 3.185 5.595 -1.594 1.00 0.00 H new ATOM 0 HA SER A 48 5.121 6.159 0.252 1.00 0.00 H new ATOM 0 HB2 SER A 48 6.641 5.596 -1.526 1.00 0.00 H new ATOM 0 HB3 SER A 48 5.168 4.722 -1.896 1.00 0.00 H new ATOM 0 HG SER A 48 6.013 5.840 -3.743 1.00 0.00 H new ATOM 793 N ASP A 49 6.571 8.236 -0.697 1.00 0.00 N ATOM 794 CA ASP A 49 7.096 9.597 -0.756 1.00 0.00 C ATOM 795 C ASP A 49 8.571 9.609 -1.144 1.00 0.00 C ATOM 796 O ASP A 49 8.913 9.757 -2.318 1.00 0.00 O ATOM 797 CB ASP A 49 6.918 10.303 0.590 1.00 0.00 C ATOM 798 CG ASP A 49 5.476 10.686 0.863 1.00 0.00 C ATOM 799 OD1 ASP A 49 5.066 11.789 0.445 1.00 0.00 O ATOM 800 OD2 ASP A 49 4.757 9.883 1.494 1.00 0.00 O ATOM 0 H ASP A 49 7.278 7.517 -0.542 1.00 0.00 H new ATOM 0 HA ASP A 49 6.531 10.129 -1.521 1.00 0.00 H new ATOM 0 HB2 ASP A 49 7.274 9.651 1.388 1.00 0.00 H new ATOM 0 HB3 ASP A 49 7.538 11.199 0.611 1.00 0.00 H new ATOM 805 N GLU A 50 9.438 9.452 -0.149 1.00 0.00 N ATOM 806 CA GLU A 50 10.876 9.464 -0.375 1.00 0.00 C ATOM 807 C GLU A 50 11.562 8.287 0.312 1.00 0.00 C ATOM 808 O GLU A 50 12.586 7.793 -0.157 1.00 0.00 O ATOM 809 CB GLU A 50 11.448 10.776 0.151 1.00 0.00 C ATOM 810 CG GLU A 50 11.292 10.946 1.654 1.00 0.00 C ATOM 811 CD GLU A 50 11.793 12.291 2.145 1.00 0.00 C ATOM 812 OE1 GLU A 50 11.001 13.256 2.143 1.00 0.00 O ATOM 813 OE2 GLU A 50 12.977 12.378 2.531 1.00 0.00 O ATOM 0 H GLU A 50 9.167 9.315 0.825 1.00 0.00 H new ATOM 0 HA GLU A 50 11.060 9.373 -1.446 1.00 0.00 H new ATOM 0 HB2 GLU A 50 12.506 10.830 -0.105 1.00 0.00 H new ATOM 0 HB3 GLU A 50 10.955 11.607 -0.354 1.00 0.00 H new ATOM 0 HG2 GLU A 50 10.241 10.834 1.921 1.00 0.00 H new ATOM 0 HG3 GLU A 50 11.837 10.151 2.164 1.00 0.00 H new ATOM 820 N ILE A 51 10.993 7.848 1.427 1.00 0.00 N ATOM 821 CA ILE A 51 11.550 6.739 2.191 1.00 0.00 C ATOM 822 C ILE A 51 11.312 5.406 1.496 1.00 0.00 C ATOM 823 O ILE A 51 12.223 4.830 0.909 1.00 0.00 O ATOM 824 CB ILE A 51 10.935 6.682 3.598 1.00 0.00 C ATOM 825 CG1 ILE A 51 10.979 8.065 4.247 1.00 0.00 C ATOM 826 CG2 ILE A 51 11.656 5.656 4.459 1.00 0.00 C ATOM 827 CD1 ILE A 51 12.378 8.542 4.575 1.00 0.00 C ATOM 0 H ILE A 51 10.142 8.245 1.824 1.00 0.00 H new ATOM 0 HA ILE A 51 12.623 6.913 2.266 1.00 0.00 H new ATOM 0 HB ILE A 51 9.893 6.373 3.511 1.00 0.00 H new ATOM 0 HG12 ILE A 51 10.507 8.785 3.578 1.00 0.00 H new ATOM 0 HG13 ILE A 51 10.388 8.045 5.163 1.00 0.00 H new ATOM 0 HG21 ILE A 51 11.205 5.632 5.451 1.00 0.00 H new ATOM 0 HG22 ILE A 51 11.573 4.672 3.998 1.00 0.00 H new ATOM 0 HG23 ILE A 51 12.708 5.928 4.546 1.00 0.00 H new ATOM 0 HD11 ILE A 51 12.328 9.530 5.032 1.00 0.00 H new ATOM 0 HD12 ILE A 51 12.847 7.844 5.269 1.00 0.00 H new ATOM 0 HD13 ILE A 51 12.968 8.595 3.660 1.00 0.00 H new ATOM 839 N LEU A 52 10.087 4.910 1.594 1.00 0.00 N ATOM 840 CA LEU A 52 9.720 3.645 0.967 1.00 0.00 C ATOM 841 C LEU A 52 8.921 3.871 -0.310 1.00 0.00 C ATOM 842 O LEU A 52 7.824 4.420 -0.263 1.00 0.00 O ATOM 843 CB LEU A 52 8.891 2.795 1.932 1.00 0.00 C ATOM 844 CG LEU A 52 9.694 1.829 2.802 1.00 0.00 C ATOM 845 CD1 LEU A 52 8.846 1.322 3.957 1.00 0.00 C ATOM 846 CD2 LEU A 52 10.208 0.666 1.970 1.00 0.00 C ATOM 0 H LEU A 52 9.328 5.364 2.102 1.00 0.00 H new ATOM 0 HA LEU A 52 10.644 3.124 0.715 1.00 0.00 H new ATOM 0 HB2 LEU A 52 8.325 3.461 2.583 1.00 0.00 H new ATOM 0 HB3 LEU A 52 8.166 2.222 1.355 1.00 0.00 H new ATOM 0 HG LEU A 52 10.550 2.365 3.212 1.00 0.00 H new ATOM 0 HD11 LEU A 52 9.434 0.635 4.566 1.00 0.00 H new ATOM 0 HD12 LEU A 52 8.523 2.164 4.569 1.00 0.00 H new ATOM 0 HD13 LEU A 52 7.972 0.802 3.566 1.00 0.00 H new ATOM 0 HD21 LEU A 52 10.778 -0.012 2.605 1.00 0.00 H new ATOM 0 HD22 LEU A 52 9.365 0.131 1.532 1.00 0.00 H new ATOM 0 HD23 LEU A 52 10.850 1.044 1.175 1.00 0.00 H new ATOM 858 N GLU A 53 9.484 3.467 -1.450 1.00 0.00 N ATOM 859 CA GLU A 53 8.791 3.592 -2.728 1.00 0.00 C ATOM 860 C GLU A 53 7.616 2.626 -2.771 1.00 0.00 C ATOM 861 O GLU A 53 7.640 1.623 -3.486 1.00 0.00 O ATOM 862 CB GLU A 53 9.746 3.305 -3.885 1.00 0.00 C ATOM 863 CG GLU A 53 10.189 4.548 -4.624 1.00 0.00 C ATOM 864 CD GLU A 53 9.390 4.794 -5.889 1.00 0.00 C ATOM 865 OE1 GLU A 53 8.352 5.485 -5.811 1.00 0.00 O ATOM 866 OE2 GLU A 53 9.800 4.294 -6.957 1.00 0.00 O ATOM 0 H GLU A 53 10.414 3.053 -1.512 1.00 0.00 H new ATOM 0 HA GLU A 53 8.422 4.613 -2.829 1.00 0.00 H new ATOM 0 HB2 GLU A 53 10.625 2.788 -3.500 1.00 0.00 H new ATOM 0 HB3 GLU A 53 9.260 2.628 -4.588 1.00 0.00 H new ATOM 0 HG2 GLU A 53 10.093 5.411 -3.965 1.00 0.00 H new ATOM 0 HG3 GLU A 53 11.245 4.457 -4.878 1.00 0.00 H new ATOM 873 N VAL A 54 6.596 2.935 -1.987 1.00 0.00 N ATOM 874 CA VAL A 54 5.413 2.101 -1.900 1.00 0.00 C ATOM 875 C VAL A 54 4.499 2.268 -3.104 1.00 0.00 C ATOM 876 O VAL A 54 3.544 3.044 -3.068 1.00 0.00 O ATOM 877 CB VAL A 54 4.606 2.406 -0.629 1.00 0.00 C ATOM 878 CG1 VAL A 54 3.487 1.394 -0.463 1.00 0.00 C ATOM 879 CG2 VAL A 54 5.514 2.423 0.591 1.00 0.00 C ATOM 0 H VAL A 54 6.566 3.766 -1.397 1.00 0.00 H new ATOM 0 HA VAL A 54 5.774 1.073 -1.872 1.00 0.00 H new ATOM 0 HB VAL A 54 4.160 3.396 -0.726 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.922 1.621 0.441 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.823 1.441 -1.326 1.00 0.00 H new ATOM 0 HG13 VAL A 54 3.911 0.393 -0.385 1.00 0.00 H new ATOM 0 HG21 VAL A 54 4.924 2.641 1.481 1.00 0.00 H new ATOM 0 HG22 VAL A 54 5.992 1.450 0.702 1.00 0.00 H new ATOM 0 HG23 VAL A 54 6.278 3.191 0.466 1.00 0.00 H new ATOM 889 N VAL A 55 4.801 1.549 -4.174 1.00 0.00 N ATOM 890 CA VAL A 55 3.978 1.593 -5.366 1.00 0.00 C ATOM 891 C VAL A 55 2.790 0.664 -5.186 1.00 0.00 C ATOM 892 O VAL A 55 2.828 -0.505 -5.573 1.00 0.00 O ATOM 893 CB VAL A 55 4.752 1.176 -6.620 1.00 0.00 C ATOM 894 CG1 VAL A 55 3.924 1.458 -7.863 1.00 0.00 C ATOM 895 CG2 VAL A 55 6.097 1.882 -6.682 1.00 0.00 C ATOM 0 H VAL A 55 5.609 0.930 -4.239 1.00 0.00 H new ATOM 0 HA VAL A 55 3.650 2.623 -5.504 1.00 0.00 H new ATOM 0 HB VAL A 55 4.944 0.104 -6.574 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.484 1.158 -8.749 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.992 0.895 -7.815 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.702 2.524 -7.918 1.00 0.00 H new ATOM 0 HG21 VAL A 55 6.630 1.571 -7.581 1.00 0.00 H new ATOM 0 HG22 VAL A 55 5.941 2.960 -6.707 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.686 1.621 -5.802 1.00 0.00 H new ATOM 905 N CYS A 56 1.744 1.195 -4.587 1.00 0.00 N ATOM 906 CA CYS A 56 0.542 0.422 -4.308 1.00 0.00 C ATOM 907 C CYS A 56 -0.515 0.614 -5.384 1.00 0.00 C ATOM 908 O CYS A 56 -0.590 1.662 -6.025 1.00 0.00 O ATOM 909 CB CYS A 56 -0.031 0.815 -2.946 1.00 0.00 C ATOM 910 SG CYS A 56 -1.635 0.067 -2.575 1.00 0.00 S ATOM 0 H CYS A 56 1.698 2.167 -4.280 1.00 0.00 H new ATOM 0 HA CYS A 56 0.824 -0.631 -4.298 1.00 0.00 H new ATOM 0 HB2 CYS A 56 0.679 0.530 -2.169 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -0.130 1.900 -2.905 1.00 0.00 H new ATOM 0 HG CYS A 56 -2.035 0.458 -1.401 1.00 0.00 H new ATOM 916 N LYS A 57 -1.331 -0.416 -5.571 1.00 0.00 N ATOM 917 CA LYS A 57 -2.402 -0.383 -6.550 1.00 0.00 C ATOM 918 C LYS A 57 -3.645 -1.047 -5.982 1.00 0.00 C ATOM 919 O LYS A 57 -3.657 -2.252 -5.710 1.00 0.00 O ATOM 920 CB LYS A 57 -1.984 -1.086 -7.839 1.00 0.00 C ATOM 921 CG LYS A 57 -0.632 -0.640 -8.369 1.00 0.00 C ATOM 922 CD LYS A 57 -0.266 -1.373 -9.650 1.00 0.00 C ATOM 923 CE LYS A 57 1.081 -0.916 -10.188 1.00 0.00 C ATOM 924 NZ LYS A 57 1.088 0.540 -10.503 1.00 0.00 N ATOM 0 H LYS A 57 -1.267 -1.291 -5.050 1.00 0.00 H new ATOM 0 HA LYS A 57 -2.621 0.659 -6.781 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -1.958 -2.161 -7.664 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -2.741 -0.905 -8.602 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.649 0.434 -8.555 1.00 0.00 H new ATOM 0 HG3 LYS A 57 0.133 -0.820 -7.614 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -0.238 -2.446 -9.461 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -1.036 -1.201 -10.402 1.00 0.00 H new ATOM 0 HE2 LYS A 57 1.857 -1.132 -9.454 1.00 0.00 H new ATOM 0 HE3 LYS A 57 1.324 -1.483 -11.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 1.924 0.767 -11.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 0.226 0.785 -11.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 1.119 1.086 -9.619 1.00 0.00 H new ATOM 938 N TYR A 58 -4.683 -0.250 -5.795 1.00 0.00 N ATOM 939 CA TYR A 58 -5.941 -0.745 -5.259 1.00 0.00 C ATOM 940 C TYR A 58 -6.890 -1.095 -6.399 1.00 0.00 C ATOM 941 O TYR A 58 -7.454 -0.212 -7.047 1.00 0.00 O ATOM 942 CB TYR A 58 -6.577 0.300 -4.331 1.00 0.00 C ATOM 943 CG TYR A 58 -7.653 -0.258 -3.425 1.00 0.00 C ATOM 944 CD1 TYR A 58 -8.685 -1.037 -3.938 1.00 0.00 C ATOM 945 CD2 TYR A 58 -7.638 -0.005 -2.057 1.00 0.00 C ATOM 946 CE1 TYR A 58 -9.670 -1.547 -3.123 1.00 0.00 C ATOM 947 CE2 TYR A 58 -8.625 -0.514 -1.233 1.00 0.00 C ATOM 948 CZ TYR A 58 -9.637 -1.281 -1.770 1.00 0.00 C ATOM 949 OH TYR A 58 -10.619 -1.789 -0.949 1.00 0.00 O ATOM 0 H TYR A 58 -4.680 0.748 -6.007 1.00 0.00 H new ATOM 0 HA TYR A 58 -5.746 -1.645 -4.676 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -5.796 0.750 -3.717 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -7.005 1.098 -4.938 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -8.714 -1.246 -4.997 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -6.847 0.596 -1.634 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -10.463 -2.151 -3.540 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -8.603 -0.311 -0.172 1.00 0.00 H new ATOM 0 HH TYR A 58 -10.454 -2.742 -0.792 1.00 0.00 H new ATOM 959 N THR A 59 -7.061 -2.391 -6.641 1.00 0.00 N ATOM 960 CA THR A 59 -7.935 -2.864 -7.706 1.00 0.00 C ATOM 961 C THR A 59 -9.217 -3.470 -7.144 1.00 0.00 C ATOM 962 O THR A 59 -9.197 -4.552 -6.562 1.00 0.00 O ATOM 963 CB THR A 59 -7.224 -3.916 -8.581 1.00 0.00 C ATOM 964 OG1 THR A 59 -6.037 -3.354 -9.154 1.00 0.00 O ATOM 965 CG2 THR A 59 -8.141 -4.412 -9.690 1.00 0.00 C ATOM 0 H THR A 59 -6.604 -3.133 -6.112 1.00 0.00 H new ATOM 0 HA THR A 59 -8.188 -1.998 -8.317 1.00 0.00 H new ATOM 0 HB THR A 59 -6.958 -4.762 -7.947 1.00 0.00 H new ATOM 0 HG1 THR A 59 -5.590 -4.028 -9.707 1.00 0.00 H new ATOM 0 HG21 THR A 59 -7.616 -5.153 -10.293 1.00 0.00 H new ATOM 0 HG22 THR A 59 -9.030 -4.865 -9.252 1.00 0.00 H new ATOM 0 HG23 THR A 59 -8.435 -3.573 -10.321 1.00 0.00 H new ATOM 973 N PRO A 60 -10.353 -2.775 -7.310 1.00 0.00 N ATOM 974 CA PRO A 60 -11.642 -3.228 -6.835 1.00 0.00 C ATOM 975 C PRO A 60 -12.456 -3.881 -7.948 1.00 0.00 C ATOM 976 O PRO A 60 -13.168 -3.204 -8.689 1.00 0.00 O ATOM 977 CB PRO A 60 -12.275 -1.911 -6.391 1.00 0.00 C ATOM 978 CG PRO A 60 -11.707 -0.875 -7.316 1.00 0.00 C ATOM 979 CD PRO A 60 -10.490 -1.475 -7.972 1.00 0.00 C ATOM 0 HA PRO A 60 -11.584 -3.988 -6.055 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -13.362 -1.951 -6.464 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -12.033 -1.687 -5.352 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -12.443 -0.585 -8.066 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -11.441 0.027 -6.765 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -10.626 -1.584 -9.048 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -9.607 -0.854 -7.824 1.00 0.00 H new ATOM 987 N THR A 61 -12.334 -5.199 -8.070 1.00 0.00 N ATOM 988 CA THR A 61 -13.043 -5.939 -9.092 1.00 0.00 C ATOM 989 C THR A 61 -14.444 -6.334 -8.631 1.00 0.00 C ATOM 990 O THR A 61 -14.677 -6.543 -7.440 1.00 0.00 O ATOM 991 CB THR A 61 -12.259 -7.203 -9.472 1.00 0.00 C ATOM 992 OG1 THR A 61 -11.636 -7.762 -8.310 1.00 0.00 O ATOM 993 CG2 THR A 61 -11.205 -6.893 -10.524 1.00 0.00 C ATOM 0 H THR A 61 -11.746 -5.774 -7.467 1.00 0.00 H new ATOM 0 HA THR A 61 -13.138 -5.287 -9.960 1.00 0.00 H new ATOM 0 HB THR A 61 -12.960 -7.926 -9.889 1.00 0.00 H new ATOM 0 HG1 THR A 61 -11.140 -8.569 -8.561 1.00 0.00 H new ATOM 0 HG21 THR A 61 -10.663 -7.805 -10.776 1.00 0.00 H new ATOM 0 HG22 THR A 61 -11.688 -6.499 -11.418 1.00 0.00 H new ATOM 0 HG23 THR A 61 -10.507 -6.153 -10.133 1.00 0.00 H new ATOM 1001 N PRO A 62 -15.398 -6.443 -9.574 1.00 0.00 N ATOM 1002 CA PRO A 62 -16.784 -6.816 -9.262 1.00 0.00 C ATOM 1003 C PRO A 62 -16.886 -8.224 -8.686 1.00 0.00 C ATOM 1004 O PRO A 62 -15.884 -8.931 -8.570 1.00 0.00 O ATOM 1005 CB PRO A 62 -17.500 -6.742 -10.618 1.00 0.00 C ATOM 1006 CG PRO A 62 -16.602 -5.937 -11.494 1.00 0.00 C ATOM 1007 CD PRO A 62 -15.208 -6.211 -11.014 1.00 0.00 C ATOM 0 HA PRO A 62 -17.216 -6.161 -8.505 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -17.664 -7.737 -11.031 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -18.479 -6.272 -10.521 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -16.718 -6.222 -12.540 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -16.838 -4.875 -11.425 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -14.773 -7.079 -11.509 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -14.542 -5.369 -11.204 1.00 0.00 H new ATOM 1015 N SER A 63 -18.101 -8.626 -8.329 1.00 0.00 N ATOM 1016 CA SER A 63 -18.332 -9.949 -7.765 1.00 0.00 C ATOM 1017 C SER A 63 -19.006 -10.865 -8.773 1.00 0.00 C ATOM 1018 O SER A 63 -18.918 -12.089 -8.676 1.00 0.00 O ATOM 1019 CB SER A 63 -19.193 -9.842 -6.507 1.00 0.00 C ATOM 1020 OG SER A 63 -20.434 -9.217 -6.789 1.00 0.00 O ATOM 0 H SER A 63 -18.940 -8.054 -8.421 1.00 0.00 H new ATOM 0 HA SER A 63 -17.364 -10.378 -7.506 1.00 0.00 H new ATOM 0 HB2 SER A 63 -19.368 -10.837 -6.097 1.00 0.00 H new ATOM 0 HB3 SER A 63 -18.660 -9.272 -5.745 1.00 0.00 H new ATOM 0 HG SER A 63 -21.013 -9.268 -6.000 1.00 0.00 H new ATOM 1026 N SER A 64 -19.676 -10.259 -9.741 1.00 0.00 N ATOM 1027 CA SER A 64 -20.384 -11.006 -10.777 1.00 0.00 C ATOM 1028 C SER A 64 -21.394 -11.969 -10.158 1.00 0.00 C ATOM 1029 O SER A 64 -21.938 -12.839 -10.838 1.00 0.00 O ATOM 1030 CB SER A 64 -19.391 -11.777 -11.650 1.00 0.00 C ATOM 1031 OG SER A 64 -20.055 -12.471 -12.691 1.00 0.00 O ATOM 0 H SER A 64 -19.746 -9.246 -9.833 1.00 0.00 H new ATOM 0 HA SER A 64 -20.924 -10.293 -11.400 1.00 0.00 H new ATOM 0 HB2 SER A 64 -18.664 -11.085 -12.076 1.00 0.00 H new ATOM 0 HB3 SER A 64 -18.835 -12.484 -11.035 1.00 0.00 H new ATOM 0 HG SER A 64 -20.913 -12.812 -12.362 1.00 0.00 H new ATOM 1037 N THR A 65 -21.643 -11.800 -8.861 1.00 0.00 N ATOM 1038 CA THR A 65 -22.579 -12.648 -8.139 1.00 0.00 C ATOM 1039 C THR A 65 -23.697 -11.816 -7.510 1.00 0.00 C ATOM 1040 O THR A 65 -23.569 -10.599 -7.379 1.00 0.00 O ATOM 1041 CB THR A 65 -21.854 -13.438 -7.035 1.00 0.00 C ATOM 1042 OG1 THR A 65 -21.102 -12.545 -6.206 1.00 0.00 O ATOM 1043 CG2 THR A 65 -20.925 -14.483 -7.638 1.00 0.00 C ATOM 0 H THR A 65 -21.205 -11.078 -8.289 1.00 0.00 H new ATOM 0 HA THR A 65 -23.014 -13.344 -8.856 1.00 0.00 H new ATOM 0 HB THR A 65 -22.605 -13.947 -6.431 1.00 0.00 H new ATOM 0 HG1 THR A 65 -20.645 -13.056 -5.505 1.00 0.00 H new ATOM 0 HG21 THR A 65 -20.424 -15.029 -6.839 1.00 0.00 H new ATOM 0 HG22 THR A 65 -21.505 -15.179 -8.244 1.00 0.00 H new ATOM 0 HG23 THR A 65 -20.180 -13.990 -8.263 1.00 0.00 H new ATOM 1051 N PRO A 66 -24.814 -12.459 -7.109 1.00 0.00 N ATOM 1052 CA PRO A 66 -25.948 -11.762 -6.484 1.00 0.00 C ATOM 1053 C PRO A 66 -25.613 -11.244 -5.094 1.00 0.00 C ATOM 1054 O PRO A 66 -26.491 -10.831 -4.336 1.00 0.00 O ATOM 1055 CB PRO A 66 -27.025 -12.844 -6.406 1.00 0.00 C ATOM 1056 CG PRO A 66 -26.250 -14.112 -6.333 1.00 0.00 C ATOM 1057 CD PRO A 66 -25.072 -13.907 -7.240 1.00 0.00 C ATOM 0 HA PRO A 66 -26.249 -10.880 -7.050 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -27.661 -12.713 -5.530 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -27.677 -12.823 -7.279 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -25.929 -14.319 -5.312 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -26.853 -14.961 -6.656 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -24.213 -14.502 -6.930 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -25.299 -14.187 -8.269 1.00 0.00 H new ATOM 1065 N MET A 67 -24.332 -11.275 -4.775 1.00 0.00 N ATOM 1066 CA MET A 67 -23.838 -10.811 -3.487 1.00 0.00 C ATOM 1067 C MET A 67 -22.887 -9.636 -3.683 1.00 0.00 C ATOM 1068 O MET A 67 -21.672 -9.815 -3.772 1.00 0.00 O ATOM 1069 CB MET A 67 -23.130 -11.945 -2.743 1.00 0.00 C ATOM 1070 CG MET A 67 -22.650 -11.558 -1.354 1.00 0.00 C ATOM 1071 SD MET A 67 -21.789 -12.903 -0.515 1.00 0.00 S ATOM 1072 CE MET A 67 -23.082 -14.140 -0.439 1.00 0.00 C ATOM 0 H MET A 67 -23.604 -11.622 -5.399 1.00 0.00 H new ATOM 0 HA MET A 67 -24.687 -10.482 -2.888 1.00 0.00 H new ATOM 0 HB2 MET A 67 -23.810 -12.793 -2.660 1.00 0.00 H new ATOM 0 HB3 MET A 67 -22.276 -12.278 -3.333 1.00 0.00 H new ATOM 0 HG2 MET A 67 -21.985 -10.698 -1.431 1.00 0.00 H new ATOM 0 HG3 MET A 67 -23.504 -11.248 -0.752 1.00 0.00 H new ATOM 0 HE1 MET A 67 -22.844 -14.868 0.337 1.00 0.00 H new ATOM 0 HE2 MET A 67 -24.032 -13.659 -0.206 1.00 0.00 H new ATOM 0 HE3 MET A 67 -23.158 -14.647 -1.401 1.00 0.00 H new ATOM 1082 N VAL A 68 -23.461 -8.439 -3.769 1.00 0.00 N ATOM 1083 CA VAL A 68 -22.688 -7.214 -3.961 1.00 0.00 C ATOM 1084 C VAL A 68 -21.389 -7.233 -3.162 1.00 0.00 C ATOM 1085 O VAL A 68 -21.393 -7.453 -1.950 1.00 0.00 O ATOM 1086 CB VAL A 68 -23.504 -5.970 -3.561 1.00 0.00 C ATOM 1087 CG1 VAL A 68 -22.708 -4.700 -3.822 1.00 0.00 C ATOM 1088 CG2 VAL A 68 -24.831 -5.939 -4.305 1.00 0.00 C ATOM 0 H VAL A 68 -24.468 -8.290 -3.708 1.00 0.00 H new ATOM 0 HA VAL A 68 -22.448 -7.164 -5.023 1.00 0.00 H new ATOM 0 HB VAL A 68 -23.714 -6.025 -2.493 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -23.302 -3.833 -3.533 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -21.788 -4.721 -3.238 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -22.463 -4.635 -4.882 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -25.393 -5.053 -4.009 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -24.646 -5.909 -5.379 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -25.406 -6.832 -4.061 1.00 0.00 H new ATOM 1098 N GLY A 69 -20.278 -7.000 -3.856 1.00 0.00 N ATOM 1099 CA GLY A 69 -18.979 -6.992 -3.209 1.00 0.00 C ATOM 1100 C GLY A 69 -17.849 -6.765 -4.194 1.00 0.00 C ATOM 1101 O GLY A 69 -17.443 -7.684 -4.906 1.00 0.00 O ATOM 0 H GLY A 69 -20.256 -6.816 -4.859 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -18.958 -6.211 -2.449 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -18.825 -7.941 -2.695 1.00 0.00 H new ATOM 1105 N VAL A 70 -17.336 -5.539 -4.233 1.00 0.00 N ATOM 1106 CA VAL A 70 -16.250 -5.192 -5.142 1.00 0.00 C ATOM 1107 C VAL A 70 -14.902 -5.654 -4.590 1.00 0.00 C ATOM 1108 O VAL A 70 -13.863 -5.058 -4.876 1.00 0.00 O ATOM 1109 CB VAL A 70 -16.202 -3.672 -5.403 1.00 0.00 C ATOM 1110 CG1 VAL A 70 -15.397 -3.365 -6.659 1.00 0.00 C ATOM 1111 CG2 VAL A 70 -17.610 -3.107 -5.523 1.00 0.00 C ATOM 0 H VAL A 70 -17.655 -4.769 -3.645 1.00 0.00 H new ATOM 0 HA VAL A 70 -16.444 -5.706 -6.084 1.00 0.00 H new ATOM 0 HB VAL A 70 -15.708 -3.196 -4.556 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -15.376 -2.288 -6.824 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -14.378 -3.733 -6.537 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -15.859 -3.854 -7.516 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -17.557 -2.034 -5.707 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -18.127 -3.592 -6.351 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -18.156 -3.290 -4.597 1.00 0.00 H new ATOM 1121 N GLY A 71 -14.925 -6.725 -3.800 1.00 0.00 N ATOM 1122 CA GLY A 71 -13.699 -7.252 -3.228 1.00 0.00 C ATOM 1123 C GLY A 71 -12.677 -7.604 -4.289 1.00 0.00 C ATOM 1124 O GLY A 71 -12.881 -8.531 -5.075 1.00 0.00 O ATOM 0 H GLY A 71 -15.770 -7.236 -3.546 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -13.273 -6.516 -2.546 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -13.928 -8.139 -2.638 1.00 0.00 H new ATOM 1128 N GLY A 72 -11.575 -6.863 -4.313 1.00 0.00 N ATOM 1129 CA GLY A 72 -10.536 -7.111 -5.294 1.00 0.00 C ATOM 1130 C GLY A 72 -9.187 -7.384 -4.662 1.00 0.00 C ATOM 1131 O GLY A 72 -9.061 -8.249 -3.796 1.00 0.00 O ATOM 0 H GLY A 72 -11.383 -6.095 -3.670 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -10.822 -7.962 -5.912 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -10.454 -6.249 -5.956 1.00 0.00 H new ATOM 1135 N ILE A 73 -8.178 -6.641 -5.102 1.00 0.00 N ATOM 1136 CA ILE A 73 -6.827 -6.801 -4.587 1.00 0.00 C ATOM 1137 C ILE A 73 -6.248 -5.484 -4.115 1.00 0.00 C ATOM 1138 O ILE A 73 -6.634 -4.405 -4.566 1.00 0.00 O ATOM 1139 CB ILE A 73 -5.884 -7.410 -5.649 1.00 0.00 C ATOM 1140 CG1 ILE A 73 -5.996 -8.930 -5.632 1.00 0.00 C ATOM 1141 CG2 ILE A 73 -4.431 -6.977 -5.449 1.00 0.00 C ATOM 1142 CD1 ILE A 73 -5.168 -9.585 -4.541 1.00 0.00 C ATOM 0 H ILE A 73 -8.273 -5.920 -5.817 1.00 0.00 H new ATOM 0 HA ILE A 73 -6.901 -7.482 -3.739 1.00 0.00 H new ATOM 0 HB ILE A 73 -6.197 -7.034 -6.623 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -7.042 -9.208 -5.500 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -5.682 -9.321 -6.600 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -3.807 -7.430 -6.219 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -4.362 -5.891 -5.519 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -4.087 -7.300 -4.467 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -5.295 -10.667 -4.588 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -4.116 -9.337 -4.684 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -5.497 -9.223 -3.567 1.00 0.00 H new ATOM 1154 N TYR A 74 -5.312 -5.611 -3.204 1.00 0.00 N ATOM 1155 CA TYR A 74 -4.606 -4.481 -2.634 1.00 0.00 C ATOM 1156 C TYR A 74 -3.120 -4.782 -2.713 1.00 0.00 C ATOM 1157 O TYR A 74 -2.497 -5.146 -1.718 1.00 0.00 O ATOM 1158 CB TYR A 74 -5.036 -4.243 -1.182 1.00 0.00 C ATOM 1159 CG TYR A 74 -6.488 -4.566 -0.912 1.00 0.00 C ATOM 1160 CD1 TYR A 74 -7.492 -4.034 -1.704 1.00 0.00 C ATOM 1161 CD2 TYR A 74 -6.856 -5.403 0.134 1.00 0.00 C ATOM 1162 CE1 TYR A 74 -8.818 -4.325 -1.465 1.00 0.00 C ATOM 1163 CE2 TYR A 74 -8.181 -5.696 0.378 1.00 0.00 C ATOM 1164 CZ TYR A 74 -9.158 -5.155 -0.425 1.00 0.00 C ATOM 1165 OH TYR A 74 -10.481 -5.445 -0.185 1.00 0.00 O ATOM 0 H TYR A 74 -5.013 -6.512 -2.831 1.00 0.00 H new ATOM 0 HA TYR A 74 -4.839 -3.572 -3.188 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -4.411 -4.848 -0.525 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -4.852 -3.200 -0.925 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -7.231 -3.380 -2.523 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -6.092 -5.831 0.766 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -9.587 -3.902 -2.094 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -8.451 -6.347 1.196 1.00 0.00 H new ATOM 0 HH TYR A 74 -10.883 -4.725 0.345 1.00 0.00 H new ATOM 1175 N VAL A 75 -2.570 -4.646 -3.918 1.00 0.00 N ATOM 1176 CA VAL A 75 -1.171 -4.951 -4.163 1.00 0.00 C ATOM 1177 C VAL A 75 -0.267 -3.782 -3.824 1.00 0.00 C ATOM 1178 O VAL A 75 -0.260 -2.758 -4.504 1.00 0.00 O ATOM 1179 CB VAL A 75 -0.933 -5.383 -5.626 1.00 0.00 C ATOM 1180 CG1 VAL A 75 -1.616 -4.433 -6.592 1.00 0.00 C ATOM 1181 CG2 VAL A 75 0.554 -5.470 -5.924 1.00 0.00 C ATOM 0 H VAL A 75 -3.079 -4.324 -4.741 1.00 0.00 H new ATOM 0 HA VAL A 75 -0.919 -5.782 -3.505 1.00 0.00 H new ATOM 0 HB VAL A 75 -1.370 -6.373 -5.760 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -1.432 -4.760 -7.615 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -2.689 -4.428 -6.400 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -1.218 -3.427 -6.456 1.00 0.00 H new ATOM 0 HG21 VAL A 75 0.700 -5.776 -6.960 1.00 0.00 H new ATOM 0 HG22 VAL A 75 1.015 -4.495 -5.765 1.00 0.00 H new ATOM 0 HG23 VAL A 75 1.016 -6.202 -5.261 1.00 0.00 H new ATOM 1191 N VAL A 76 0.498 -3.955 -2.762 1.00 0.00 N ATOM 1192 CA VAL A 76 1.426 -2.933 -2.310 1.00 0.00 C ATOM 1193 C VAL A 76 2.869 -3.321 -2.615 1.00 0.00 C ATOM 1194 O VAL A 76 3.341 -4.372 -2.184 1.00 0.00 O ATOM 1195 CB VAL A 76 1.288 -2.689 -0.797 1.00 0.00 C ATOM 1196 CG1 VAL A 76 2.285 -1.640 -0.338 1.00 0.00 C ATOM 1197 CG2 VAL A 76 -0.133 -2.275 -0.448 1.00 0.00 C ATOM 0 H VAL A 76 0.495 -4.801 -2.192 1.00 0.00 H new ATOM 0 HA VAL A 76 1.177 -2.019 -2.850 1.00 0.00 H new ATOM 0 HB VAL A 76 1.506 -3.620 -0.274 1.00 0.00 H new ATOM 0 HG11 VAL A 76 2.175 -1.478 0.734 1.00 0.00 H new ATOM 0 HG12 VAL A 76 3.298 -1.982 -0.552 1.00 0.00 H new ATOM 0 HG13 VAL A 76 2.099 -0.705 -0.867 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -0.210 -2.107 0.626 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -0.385 -1.356 -0.978 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -0.825 -3.064 -0.742 1.00 0.00 H new ATOM 1207 N LEU A 77 3.558 -2.470 -3.371 1.00 0.00 N ATOM 1208 CA LEU A 77 4.954 -2.708 -3.715 1.00 0.00 C ATOM 1209 C LEU A 77 5.849 -1.788 -2.907 1.00 0.00 C ATOM 1210 O LEU A 77 5.981 -0.608 -3.218 1.00 0.00 O ATOM 1211 CB LEU A 77 5.193 -2.475 -5.207 1.00 0.00 C ATOM 1212 CG LEU A 77 4.516 -3.486 -6.136 1.00 0.00 C ATOM 1213 CD1 LEU A 77 4.802 -3.147 -7.590 1.00 0.00 C ATOM 1214 CD2 LEU A 77 4.974 -4.899 -5.814 1.00 0.00 C ATOM 0 H LEU A 77 3.170 -1.609 -3.757 1.00 0.00 H new ATOM 0 HA LEU A 77 5.192 -3.746 -3.482 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.842 -1.476 -5.464 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.267 -2.494 -5.395 1.00 0.00 H new ATOM 0 HG LEU A 77 3.439 -3.433 -5.977 1.00 0.00 H new ATOM 0 HD11 LEU A 77 4.313 -3.876 -8.236 1.00 0.00 H new ATOM 0 HD12 LEU A 77 4.421 -2.151 -7.813 1.00 0.00 H new ATOM 0 HD13 LEU A 77 5.878 -3.171 -7.764 1.00 0.00 H new ATOM 0 HD21 LEU A 77 4.482 -5.603 -6.485 1.00 0.00 H new ATOM 0 HD22 LEU A 77 6.054 -4.970 -5.943 1.00 0.00 H new ATOM 0 HD23 LEU A 77 4.715 -5.139 -4.783 1.00 0.00 H new ATOM 1226 N VAL A 78 6.471 -2.330 -1.875 1.00 0.00 N ATOM 1227 CA VAL A 78 7.332 -1.530 -1.021 1.00 0.00 C ATOM 1228 C VAL A 78 8.790 -1.638 -1.456 1.00 0.00 C ATOM 1229 O VAL A 78 9.428 -2.677 -1.281 1.00 0.00 O ATOM 1230 CB VAL A 78 7.196 -1.935 0.458 1.00 0.00 C ATOM 1231 CG1 VAL A 78 6.832 -0.725 1.311 1.00 0.00 C ATOM 1232 CG2 VAL A 78 6.161 -3.038 0.624 1.00 0.00 C ATOM 0 H VAL A 78 6.398 -3.312 -1.609 1.00 0.00 H new ATOM 0 HA VAL A 78 7.010 -0.494 -1.124 1.00 0.00 H new ATOM 0 HB VAL A 78 8.158 -2.319 0.796 1.00 0.00 H new ATOM 0 HG11 VAL A 78 6.740 -1.029 2.354 1.00 0.00 H new ATOM 0 HG12 VAL A 78 7.612 0.031 1.221 1.00 0.00 H new ATOM 0 HG13 VAL A 78 5.884 -0.311 0.969 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.082 -3.308 1.677 1.00 0.00 H new ATOM 0 HG22 VAL A 78 5.193 -2.686 0.266 1.00 0.00 H new ATOM 0 HG23 VAL A 78 6.465 -3.912 0.048 1.00 0.00 H new ATOM 1242 N LYS A 79 9.305 -0.554 -2.032 1.00 0.00 N ATOM 1243 CA LYS A 79 10.685 -0.508 -2.505 1.00 0.00 C ATOM 1244 C LYS A 79 11.515 0.489 -1.697 1.00 0.00 C ATOM 1245 O LYS A 79 11.536 1.677 -2.008 1.00 0.00 O ATOM 1246 CB LYS A 79 10.723 -0.128 -3.986 1.00 0.00 C ATOM 1247 CG LYS A 79 10.500 -1.302 -4.925 1.00 0.00 C ATOM 1248 CD LYS A 79 10.608 -0.879 -6.382 1.00 0.00 C ATOM 1249 CE LYS A 79 9.493 0.080 -6.773 1.00 0.00 C ATOM 1250 NZ LYS A 79 9.581 0.480 -8.205 1.00 0.00 N ATOM 0 H LYS A 79 8.783 0.309 -2.183 1.00 0.00 H new ATOM 0 HA LYS A 79 11.116 -1.500 -2.373 1.00 0.00 H new ATOM 0 HB2 LYS A 79 9.962 0.628 -4.177 1.00 0.00 H new ATOM 0 HB3 LYS A 79 11.688 0.327 -4.210 1.00 0.00 H new ATOM 0 HG2 LYS A 79 11.233 -2.081 -4.716 1.00 0.00 H new ATOM 0 HG3 LYS A 79 9.516 -1.733 -4.742 1.00 0.00 H new ATOM 0 HD2 LYS A 79 11.574 -0.403 -6.552 1.00 0.00 H new ATOM 0 HD3 LYS A 79 10.570 -1.761 -7.021 1.00 0.00 H new ATOM 0 HE2 LYS A 79 8.528 -0.390 -6.586 1.00 0.00 H new ATOM 0 HE3 LYS A 79 9.542 0.969 -6.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 8.804 1.133 -8.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 10.492 0.952 -8.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 9.509 -0.365 -8.807 1.00 0.00 H new ATOM 1264 N PRO A 80 12.209 0.019 -0.645 1.00 0.00 N ATOM 1265 CA PRO A 80 13.042 0.878 0.199 1.00 0.00 C ATOM 1266 C PRO A 80 13.961 1.783 -0.614 1.00 0.00 C ATOM 1267 O PRO A 80 14.990 1.346 -1.131 1.00 0.00 O ATOM 1268 CB PRO A 80 13.861 -0.104 1.048 1.00 0.00 C ATOM 1269 CG PRO A 80 13.548 -1.470 0.525 1.00 0.00 C ATOM 1270 CD PRO A 80 12.232 -1.373 -0.188 1.00 0.00 C ATOM 0 HA PRO A 80 12.433 1.557 0.796 1.00 0.00 H new ATOM 0 HB2 PRO A 80 14.927 0.108 0.969 1.00 0.00 H new ATOM 0 HB3 PRO A 80 13.597 -0.021 2.102 1.00 0.00 H new ATOM 0 HG2 PRO A 80 14.330 -1.812 -0.153 1.00 0.00 H new ATOM 0 HG3 PRO A 80 13.493 -2.192 1.340 1.00 0.00 H new ATOM 0 HD2 PRO A 80 12.172 -2.073 -1.021 1.00 0.00 H new ATOM 0 HD3 PRO A 80 11.396 -1.594 0.475 1.00 0.00 H new ATOM 1278 N ARG A 81 13.572 3.048 -0.721 1.00 0.00 N ATOM 1279 CA ARG A 81 14.341 4.036 -1.467 1.00 0.00 C ATOM 1280 C ARG A 81 15.655 4.360 -0.765 1.00 0.00 C ATOM 1281 O ARG A 81 16.679 4.578 -1.413 1.00 0.00 O ATOM 1282 CB ARG A 81 13.519 5.314 -1.633 1.00 0.00 C ATOM 1283 CG ARG A 81 13.125 5.609 -3.067 1.00 0.00 C ATOM 1284 CD ARG A 81 12.163 6.783 -3.141 1.00 0.00 C ATOM 1285 NE ARG A 81 11.838 7.138 -4.521 1.00 0.00 N ATOM 1286 CZ ARG A 81 11.330 8.313 -4.880 1.00 0.00 C ATOM 1287 NH1 ARG A 81 11.094 9.245 -3.968 1.00 0.00 N ATOM 1288 NH2 ARG A 81 11.058 8.555 -6.155 1.00 0.00 N ATOM 0 H ARG A 81 12.721 3.416 -0.296 1.00 0.00 H new ATOM 0 HA ARG A 81 14.572 3.616 -2.446 1.00 0.00 H new ATOM 0 HB2 ARG A 81 12.616 5.235 -1.027 1.00 0.00 H new ATOM 0 HB3 ARG A 81 14.091 6.156 -1.243 1.00 0.00 H new ATOM 0 HG2 ARG A 81 14.017 5.828 -3.654 1.00 0.00 H new ATOM 0 HG3 ARG A 81 12.661 4.727 -3.509 1.00 0.00 H new ATOM 0 HD2 ARG A 81 11.247 6.535 -2.605 1.00 0.00 H new ATOM 0 HD3 ARG A 81 12.603 7.645 -2.639 1.00 0.00 H new ATOM 0 HE ARG A 81 12.011 6.445 -5.250 1.00 0.00 H new ATOM 0 HH11 ARG A 81 11.302 9.062 -2.986 1.00 0.00 H new ATOM 0 HH12 ARG A 81 10.704 10.145 -4.248 1.00 0.00 H new ATOM 0 HH21 ARG A 81 11.238 7.840 -6.860 1.00 0.00 H new ATOM 0 HH22 ARG A 81 10.668 9.456 -6.431 1.00 0.00 H new ATOM 1302 N LYS A 82 15.619 4.392 0.563 1.00 0.00 N ATOM 1303 CA LYS A 82 16.806 4.705 1.351 1.00 0.00 C ATOM 1304 C LYS A 82 17.208 3.526 2.232 1.00 0.00 C ATOM 1305 O LYS A 82 16.473 2.546 2.349 1.00 0.00 O ATOM 1306 CB LYS A 82 16.550 5.940 2.217 1.00 0.00 C ATOM 1307 CG LYS A 82 16.006 7.126 1.437 1.00 0.00 C ATOM 1308 CD LYS A 82 15.845 8.350 2.321 1.00 0.00 C ATOM 1309 CE LYS A 82 15.290 9.532 1.540 1.00 0.00 C ATOM 1310 NZ LYS A 82 15.171 10.750 2.387 1.00 0.00 N ATOM 0 H LYS A 82 14.782 4.205 1.116 1.00 0.00 H new ATOM 0 HA LYS A 82 17.625 4.911 0.662 1.00 0.00 H new ATOM 0 HB2 LYS A 82 15.845 5.680 3.007 1.00 0.00 H new ATOM 0 HB3 LYS A 82 17.481 6.232 2.704 1.00 0.00 H new ATOM 0 HG2 LYS A 82 16.679 7.359 0.611 1.00 0.00 H new ATOM 0 HG3 LYS A 82 15.043 6.863 0.999 1.00 0.00 H new ATOM 0 HD2 LYS A 82 15.179 8.116 3.151 1.00 0.00 H new ATOM 0 HD3 LYS A 82 16.809 8.618 2.752 1.00 0.00 H new ATOM 0 HE2 LYS A 82 15.939 9.743 0.690 1.00 0.00 H new ATOM 0 HE3 LYS A 82 14.311 9.273 1.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 14.249 11.201 2.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 15.249 10.485 3.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 15.931 11.417 2.145 1.00 0.00 H new ATOM 1324 N ARG A 83 18.383 3.629 2.845 1.00 0.00 N ATOM 1325 CA ARG A 83 18.887 2.578 3.719 1.00 0.00 C ATOM 1326 C ARG A 83 18.815 3.009 5.180 1.00 0.00 C ATOM 1327 O ARG A 83 19.367 4.044 5.560 1.00 0.00 O ATOM 1328 CB ARG A 83 20.329 2.236 3.348 1.00 0.00 C ATOM 1329 CG ARG A 83 20.503 1.852 1.889 1.00 0.00 C ATOM 1330 CD ARG A 83 21.967 1.642 1.548 1.00 0.00 C ATOM 1331 NE ARG A 83 22.526 0.475 2.224 1.00 0.00 N ATOM 1332 CZ ARG A 83 23.814 0.144 2.179 1.00 0.00 C ATOM 1333 NH1 ARG A 83 24.670 0.888 1.494 1.00 0.00 N ATOM 1334 NH2 ARG A 83 24.244 -0.933 2.821 1.00 0.00 N ATOM 0 H ARG A 83 19.005 4.432 2.752 1.00 0.00 H new ATOM 0 HA ARG A 83 18.263 1.694 3.588 1.00 0.00 H new ATOM 0 HB2 ARG A 83 20.966 3.093 3.569 1.00 0.00 H new ATOM 0 HB3 ARG A 83 20.672 1.414 3.976 1.00 0.00 H new ATOM 0 HG2 ARG A 83 19.944 0.940 1.681 1.00 0.00 H new ATOM 0 HG3 ARG A 83 20.087 2.633 1.252 1.00 0.00 H new ATOM 0 HD2 ARG A 83 22.074 1.522 0.470 1.00 0.00 H new ATOM 0 HD3 ARG A 83 22.535 2.529 1.828 1.00 0.00 H new ATOM 0 HE ARG A 83 21.894 -0.120 2.760 1.00 0.00 H new ATOM 0 HH11 ARG A 83 24.342 1.717 0.999 1.00 0.00 H new ATOM 0 HH12 ARG A 83 25.657 0.631 1.462 1.00 0.00 H new ATOM 0 HH21 ARG A 83 23.588 -1.508 3.349 1.00 0.00 H new ATOM 0 HH22 ARG A 83 25.231 -1.187 2.787 1.00 0.00 H new ATOM 1348 N GLY A 84 18.134 2.213 5.996 1.00 0.00 N ATOM 1349 CA GLY A 84 18.004 2.532 7.406 1.00 0.00 C ATOM 1350 C GLY A 84 16.792 1.879 8.040 1.00 0.00 C ATOM 1351 O GLY A 84 16.591 0.672 7.910 1.00 0.00 O ATOM 0 H GLY A 84 17.669 1.352 5.707 1.00 0.00 H new ATOM 0 HA2 GLY A 84 18.903 2.210 7.932 1.00 0.00 H new ATOM 0 HA3 GLY A 84 17.934 3.613 7.526 1.00 0.00 H new ATOM 1355 N HIS A 85 15.982 2.680 8.727 1.00 0.00 N ATOM 1356 CA HIS A 85 14.785 2.171 9.384 1.00 0.00 C ATOM 1357 C HIS A 85 13.527 2.600 8.635 1.00 0.00 C ATOM 1358 O HIS A 85 13.016 3.701 8.837 1.00 0.00 O ATOM 1359 CB HIS A 85 14.721 2.660 10.831 1.00 0.00 C ATOM 1360 CG HIS A 85 15.901 2.249 11.654 1.00 0.00 C ATOM 1361 ND1 HIS A 85 16.948 3.098 11.945 1.00 0.00 N ATOM 1362 CD2 HIS A 85 16.195 1.071 12.255 1.00 0.00 C ATOM 1363 CE1 HIS A 85 17.837 2.459 12.688 1.00 0.00 C ATOM 1364 NE2 HIS A 85 17.402 1.229 12.889 1.00 0.00 N ATOM 0 H HIS A 85 16.134 3.682 8.842 1.00 0.00 H new ATOM 0 HA HIS A 85 14.837 1.082 9.379 1.00 0.00 H new ATOM 0 HB2 HIS A 85 14.646 3.747 10.835 1.00 0.00 H new ATOM 0 HB3 HIS A 85 13.813 2.276 11.296 1.00 0.00 H new ATOM 0 HD2 HIS A 85 15.592 0.175 12.238 1.00 0.00 H new ATOM 0 HE1 HIS A 85 18.760 2.873 13.065 1.00 0.00 H new ATOM 0 HE2 HIS A 85 17.885 0.511 13.429 1.00 0.00 H new ATOM 1373 N HIS A 86 13.038 1.721 7.766 1.00 0.00 N ATOM 1374 CA HIS A 86 11.837 2.000 6.986 1.00 0.00 C ATOM 1375 C HIS A 86 10.679 1.131 7.464 1.00 0.00 C ATOM 1376 O HIS A 86 10.890 0.116 8.129 1.00 0.00 O ATOM 1377 CB HIS A 86 12.096 1.754 5.499 1.00 0.00 C ATOM 1378 CG HIS A 86 13.145 2.647 4.915 1.00 0.00 C ATOM 1379 ND1 HIS A 86 13.996 3.415 5.682 1.00 0.00 N ATOM 1380 CD2 HIS A 86 13.476 2.897 3.626 1.00 0.00 C ATOM 1381 CE1 HIS A 86 14.803 4.098 4.891 1.00 0.00 C ATOM 1382 NE2 HIS A 86 14.508 3.801 3.639 1.00 0.00 N ATOM 0 H HIS A 86 13.455 0.808 7.584 1.00 0.00 H new ATOM 0 HA HIS A 86 11.572 3.048 7.127 1.00 0.00 H new ATOM 0 HB2 HIS A 86 12.396 0.716 5.359 1.00 0.00 H new ATOM 0 HB3 HIS A 86 11.165 1.894 4.949 1.00 0.00 H new ATOM 0 HD1 HIS A 86 14.001 3.450 6.701 1.00 0.00 H new ATOM 0 HD2 HIS A 86 13.014 2.465 2.751 1.00 0.00 H new ATOM 0 HE1 HIS A 86 15.573 4.783 5.213 1.00 0.00 H new ATOM 1391 N THR A 87 9.457 1.529 7.122 1.00 0.00 N ATOM 1392 CA THR A 87 8.276 0.778 7.532 1.00 0.00 C ATOM 1393 C THR A 87 7.079 1.070 6.630 1.00 0.00 C ATOM 1394 O THR A 87 6.938 2.174 6.104 1.00 0.00 O ATOM 1395 CB THR A 87 7.893 1.100 8.986 1.00 0.00 C ATOM 1396 OG1 THR A 87 9.008 0.863 9.853 1.00 0.00 O ATOM 1397 CG2 THR A 87 6.716 0.251 9.427 1.00 0.00 C ATOM 0 H THR A 87 9.260 2.361 6.566 1.00 0.00 H new ATOM 0 HA THR A 87 8.533 -0.278 7.447 1.00 0.00 H new ATOM 0 HB THR A 87 7.610 2.151 9.042 1.00 0.00 H new ATOM 0 HG1 THR A 87 8.826 0.079 10.413 1.00 0.00 H new ATOM 0 HG21 THR A 87 6.459 0.493 10.458 1.00 0.00 H new ATOM 0 HG22 THR A 87 5.860 0.453 8.783 1.00 0.00 H new ATOM 0 HG23 THR A 87 6.982 -0.804 9.357 1.00 0.00 H new ATOM 1405 N LEU A 88 6.214 0.071 6.465 1.00 0.00 N ATOM 1406 CA LEU A 88 5.026 0.210 5.634 1.00 0.00 C ATOM 1407 C LEU A 88 3.765 0.084 6.478 1.00 0.00 C ATOM 1408 O LEU A 88 3.242 -1.012 6.676 1.00 0.00 O ATOM 1409 CB LEU A 88 5.020 -0.853 4.536 1.00 0.00 C ATOM 1410 CG LEU A 88 3.743 -0.908 3.697 1.00 0.00 C ATOM 1411 CD1 LEU A 88 3.680 0.275 2.745 1.00 0.00 C ATOM 1412 CD2 LEU A 88 3.670 -2.217 2.928 1.00 0.00 C ATOM 0 H LEU A 88 6.317 -0.846 6.899 1.00 0.00 H new ATOM 0 HA LEU A 88 5.045 1.198 5.174 1.00 0.00 H new ATOM 0 HB2 LEU A 88 5.866 -0.673 3.872 1.00 0.00 H new ATOM 0 HB3 LEU A 88 5.178 -1.829 4.995 1.00 0.00 H new ATOM 0 HG LEU A 88 2.886 -0.854 4.368 1.00 0.00 H new ATOM 0 HD11 LEU A 88 2.765 0.220 2.156 1.00 0.00 H new ATOM 0 HD12 LEU A 88 3.688 1.203 3.317 1.00 0.00 H new ATOM 0 HD13 LEU A 88 4.542 0.252 2.079 1.00 0.00 H new ATOM 0 HD21 LEU A 88 2.755 -2.241 2.336 1.00 0.00 H new ATOM 0 HD22 LEU A 88 4.533 -2.299 2.267 1.00 0.00 H new ATOM 0 HD23 LEU A 88 3.670 -3.051 3.629 1.00 0.00 H new ATOM 1424 N GLU A 89 3.286 1.212 6.980 1.00 0.00 N ATOM 1425 CA GLU A 89 2.094 1.232 7.810 1.00 0.00 C ATOM 1426 C GLU A 89 0.821 1.059 6.994 1.00 0.00 C ATOM 1427 O GLU A 89 0.278 2.028 6.472 1.00 0.00 O ATOM 1428 CB GLU A 89 2.027 2.542 8.584 1.00 0.00 C ATOM 1429 CG GLU A 89 3.092 2.656 9.650 1.00 0.00 C ATOM 1430 CD GLU A 89 3.087 4.004 10.345 1.00 0.00 C ATOM 1431 OE1 GLU A 89 3.789 4.920 9.868 1.00 0.00 O ATOM 1432 OE2 GLU A 89 2.381 4.143 11.366 1.00 0.00 O ATOM 0 H GLU A 89 3.707 2.128 6.826 1.00 0.00 H new ATOM 0 HA GLU A 89 2.163 0.390 8.499 1.00 0.00 H new ATOM 0 HB2 GLU A 89 2.128 3.374 7.887 1.00 0.00 H new ATOM 0 HB3 GLU A 89 1.045 2.633 9.049 1.00 0.00 H new ATOM 0 HG2 GLU A 89 2.944 1.870 10.391 1.00 0.00 H new ATOM 0 HG3 GLU A 89 4.070 2.489 9.199 1.00 0.00 H new ATOM 1439 N LEU A 90 0.349 -0.177 6.881 1.00 0.00 N ATOM 1440 CA LEU A 90 -0.886 -0.448 6.156 1.00 0.00 C ATOM 1441 C LEU A 90 -2.023 -0.660 7.143 1.00 0.00 C ATOM 1442 O LEU A 90 -1.931 -1.498 8.042 1.00 0.00 O ATOM 1443 CB LEU A 90 -0.747 -1.665 5.236 1.00 0.00 C ATOM 1444 CG LEU A 90 0.183 -1.472 4.035 1.00 0.00 C ATOM 1445 CD1 LEU A 90 0.237 -2.740 3.197 1.00 0.00 C ATOM 1446 CD2 LEU A 90 -0.272 -0.291 3.188 1.00 0.00 C ATOM 0 H LEU A 90 0.799 -1.002 7.279 1.00 0.00 H new ATOM 0 HA LEU A 90 -1.105 0.414 5.526 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -0.383 -2.506 5.826 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -1.736 -1.938 4.869 1.00 0.00 H new ATOM 0 HG LEU A 90 1.185 -1.260 4.407 1.00 0.00 H new ATOM 0 HD11 LEU A 90 0.902 -2.586 2.347 1.00 0.00 H new ATOM 0 HD12 LEU A 90 0.611 -3.563 3.806 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -0.763 -2.980 2.836 1.00 0.00 H new ATOM 0 HD21 LEU A 90 0.402 -0.171 2.340 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -1.284 -0.472 2.825 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -0.260 0.616 3.792 1.00 0.00 H new ATOM 1458 N VAL A 91 -3.091 0.108 6.977 1.00 0.00 N ATOM 1459 CA VAL A 91 -4.234 0.025 7.873 1.00 0.00 C ATOM 1460 C VAL A 91 -5.549 -0.086 7.103 1.00 0.00 C ATOM 1461 O VAL A 91 -5.632 0.285 5.925 1.00 0.00 O ATOM 1462 CB VAL A 91 -4.289 1.272 8.780 1.00 0.00 C ATOM 1463 CG1 VAL A 91 -4.434 2.533 7.936 1.00 0.00 C ATOM 1464 CG2 VAL A 91 -5.417 1.163 9.800 1.00 0.00 C ATOM 0 H VAL A 91 -3.189 0.795 6.230 1.00 0.00 H new ATOM 0 HA VAL A 91 -4.109 -0.874 8.476 1.00 0.00 H new ATOM 0 HB VAL A 91 -3.352 1.333 9.334 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.472 3.405 8.589 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.581 2.620 7.263 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -5.353 2.477 7.352 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -5.430 2.056 10.425 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -6.370 1.070 9.280 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -5.258 0.285 10.426 1.00 0.00 H new ATOM 1474 N TYR A 92 -6.570 -0.611 7.779 1.00 0.00 N ATOM 1475 CA TYR A 92 -7.899 -0.750 7.198 1.00 0.00 C ATOM 1476 C TYR A 92 -8.753 0.436 7.642 1.00 0.00 C ATOM 1477 O TYR A 92 -9.462 0.360 8.642 1.00 0.00 O ATOM 1478 CB TYR A 92 -8.535 -2.070 7.649 1.00 0.00 C ATOM 1479 CG TYR A 92 -9.586 -2.621 6.707 1.00 0.00 C ATOM 1480 CD1 TYR A 92 -9.431 -2.539 5.327 1.00 0.00 C ATOM 1481 CD2 TYR A 92 -10.731 -3.235 7.200 1.00 0.00 C ATOM 1482 CE1 TYR A 92 -10.387 -3.051 4.469 1.00 0.00 C ATOM 1483 CE2 TYR A 92 -11.689 -3.752 6.349 1.00 0.00 C ATOM 1484 CZ TYR A 92 -11.512 -3.657 4.985 1.00 0.00 C ATOM 1485 OH TYR A 92 -12.465 -4.170 4.135 1.00 0.00 O ATOM 0 H TYR A 92 -6.498 -0.949 8.739 1.00 0.00 H new ATOM 0 HA TYR A 92 -7.831 -0.762 6.110 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -7.748 -2.814 7.769 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -8.987 -1.923 8.630 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -8.549 -2.068 4.919 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -10.875 -3.309 8.268 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -10.253 -2.976 3.400 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -12.572 -4.228 6.750 1.00 0.00 H new ATOM 0 HH TYR A 92 -13.332 -3.755 4.327 1.00 0.00 H new ATOM 1495 N THR A 93 -8.670 1.533 6.894 1.00 0.00 N ATOM 1496 CA THR A 93 -9.391 2.758 7.238 1.00 0.00 C ATOM 1497 C THR A 93 -10.519 3.076 6.268 1.00 0.00 C ATOM 1498 O THR A 93 -10.602 2.507 5.190 1.00 0.00 O ATOM 1499 CB THR A 93 -8.430 3.952 7.247 1.00 0.00 C ATOM 1500 OG1 THR A 93 -9.153 5.165 7.487 1.00 0.00 O ATOM 1501 CG2 THR A 93 -7.694 4.047 5.918 1.00 0.00 C ATOM 0 H THR A 93 -8.110 1.600 6.044 1.00 0.00 H new ATOM 0 HA THR A 93 -9.822 2.587 8.225 1.00 0.00 H new ATOM 0 HB THR A 93 -7.703 3.806 8.045 1.00 0.00 H new ATOM 0 HG1 THR A 93 -8.905 5.832 6.814 1.00 0.00 H new ATOM 0 HG21 THR A 93 -7.015 4.899 5.938 1.00 0.00 H new ATOM 0 HG22 THR A 93 -7.124 3.133 5.752 1.00 0.00 H new ATOM 0 HG23 THR A 93 -8.415 4.177 5.111 1.00 0.00 H new ATOM 1509 N ARG A 94 -11.378 4.014 6.660 1.00 0.00 N ATOM 1510 CA ARG A 94 -12.494 4.435 5.819 1.00 0.00 C ATOM 1511 C ARG A 94 -12.182 5.772 5.151 1.00 0.00 C ATOM 1512 O ARG A 94 -12.333 6.824 5.769 1.00 0.00 O ATOM 1513 CB ARG A 94 -13.774 4.568 6.645 1.00 0.00 C ATOM 1514 CG ARG A 94 -14.205 3.279 7.321 1.00 0.00 C ATOM 1515 CD ARG A 94 -15.559 3.431 7.997 1.00 0.00 C ATOM 1516 NE ARG A 94 -16.608 3.786 7.046 1.00 0.00 N ATOM 1517 CZ ARG A 94 -17.905 3.784 7.343 1.00 0.00 C ATOM 1518 NH1 ARG A 94 -18.311 3.447 8.560 1.00 0.00 N ATOM 1519 NH2 ARG A 94 -18.797 4.122 6.423 1.00 0.00 N ATOM 0 H ARG A 94 -11.322 4.497 7.556 1.00 0.00 H new ATOM 0 HA ARG A 94 -12.643 3.674 5.053 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -13.626 5.334 7.406 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -14.579 4.914 5.997 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -14.253 2.478 6.583 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -13.459 2.987 8.060 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -15.822 2.498 8.496 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -15.495 4.198 8.769 1.00 0.00 H new ATOM 0 HE ARG A 94 -16.331 4.050 6.101 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -17.628 3.188 9.272 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -19.306 3.447 8.784 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -18.489 4.384 5.486 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -19.791 4.120 6.652 1.00 0.00 H new ATOM 1533 N PRO A 95 -11.719 5.754 3.887 1.00 0.00 N ATOM 1534 CA PRO A 95 -11.400 6.979 3.146 1.00 0.00 C ATOM 1535 C PRO A 95 -12.543 7.992 3.165 1.00 0.00 C ATOM 1536 O PRO A 95 -12.313 9.202 3.142 1.00 0.00 O ATOM 1537 CB PRO A 95 -11.154 6.475 1.723 1.00 0.00 C ATOM 1538 CG PRO A 95 -10.696 5.070 1.900 1.00 0.00 C ATOM 1539 CD PRO A 95 -11.444 4.541 3.091 1.00 0.00 C ATOM 0 HA PRO A 95 -10.552 7.507 3.581 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -12.062 6.524 1.122 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -10.402 7.077 1.213 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -10.906 4.476 1.011 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -9.619 5.028 2.064 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -12.364 4.036 2.796 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -10.850 3.819 3.651 1.00 0.00 H new ATOM 1547 N PHE A 96 -13.773 7.490 3.209 1.00 0.00 N ATOM 1548 CA PHE A 96 -14.949 8.336 3.228 1.00 0.00 C ATOM 1549 C PHE A 96 -15.276 8.804 4.646 1.00 0.00 C ATOM 1550 O PHE A 96 -16.337 9.379 4.888 1.00 0.00 O ATOM 1551 CB PHE A 96 -16.125 7.562 2.648 1.00 0.00 C ATOM 1552 CG PHE A 96 -15.958 7.212 1.197 1.00 0.00 C ATOM 1553 CD1 PHE A 96 -15.247 6.082 0.821 1.00 0.00 C ATOM 1554 CD2 PHE A 96 -16.509 8.012 0.209 1.00 0.00 C ATOM 1555 CE1 PHE A 96 -15.090 5.758 -0.514 1.00 0.00 C ATOM 1556 CE2 PHE A 96 -16.355 7.692 -1.128 1.00 0.00 C ATOM 1557 CZ PHE A 96 -15.644 6.564 -1.488 1.00 0.00 C ATOM 0 H PHE A 96 -13.976 6.491 3.232 1.00 0.00 H new ATOM 0 HA PHE A 96 -14.752 9.223 2.626 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -16.263 6.645 3.221 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -17.033 8.153 2.768 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -14.811 5.448 1.579 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -17.065 8.895 0.486 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -14.535 4.875 -0.794 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -16.790 8.323 -1.889 1.00 0.00 H new ATOM 0 HZ PHE A 96 -15.522 6.313 -2.531 1.00 0.00 H new ATOM 1567 N GLU A 97 -14.357 8.558 5.574 1.00 0.00 N ATOM 1568 CA GLU A 97 -14.546 8.946 6.971 1.00 0.00 C ATOM 1569 C GLU A 97 -13.213 9.287 7.633 1.00 0.00 C ATOM 1570 O GLU A 97 -12.866 10.459 7.789 1.00 0.00 O ATOM 1571 CB GLU A 97 -15.233 7.820 7.751 1.00 0.00 C ATOM 1572 CG GLU A 97 -16.692 7.617 7.381 1.00 0.00 C ATOM 1573 CD GLU A 97 -17.576 8.761 7.840 1.00 0.00 C ATOM 1574 OE1 GLU A 97 -18.063 8.709 8.989 1.00 0.00 O ATOM 1575 OE2 GLU A 97 -17.781 9.708 7.052 1.00 0.00 O ATOM 0 H GLU A 97 -13.471 8.090 5.385 1.00 0.00 H new ATOM 0 HA GLU A 97 -15.179 9.833 6.986 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -14.692 6.890 7.579 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -15.165 8.036 8.817 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -16.777 7.509 6.300 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -17.049 6.687 7.823 1.00 0.00 H new ATOM 1582 N GLY A 98 -12.473 8.253 8.020 1.00 0.00 N ATOM 1583 CA GLY A 98 -11.189 8.448 8.669 1.00 0.00 C ATOM 1584 C GLY A 98 -10.629 7.160 9.224 1.00 0.00 C ATOM 1585 O GLY A 98 -11.263 6.109 9.138 1.00 0.00 O ATOM 0 H GLY A 98 -12.742 7.277 7.895 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -10.483 8.871 7.954 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -11.298 9.172 9.476 1.00 0.00 H new ATOM 1589 N ILE A 99 -9.436 7.243 9.795 1.00 0.00 N ATOM 1590 CA ILE A 99 -8.778 6.076 10.358 1.00 0.00 C ATOM 1591 C ILE A 99 -9.049 5.956 11.852 1.00 0.00 C ATOM 1592 O ILE A 99 -9.337 6.947 12.524 1.00 0.00 O ATOM 1593 CB ILE A 99 -7.264 6.135 10.123 1.00 0.00 C ATOM 1594 CG1 ILE A 99 -6.966 6.712 8.736 1.00 0.00 C ATOM 1595 CG2 ILE A 99 -6.661 4.745 10.272 1.00 0.00 C ATOM 1596 CD1 ILE A 99 -5.569 7.271 8.605 1.00 0.00 C ATOM 0 H ILE A 99 -8.904 8.109 9.880 1.00 0.00 H new ATOM 0 HA ILE A 99 -9.187 5.201 9.853 1.00 0.00 H new ATOM 0 HB ILE A 99 -6.812 6.789 10.868 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -7.109 5.932 7.988 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -7.686 7.500 8.516 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -5.585 4.795 10.104 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -6.854 4.371 11.277 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -7.112 4.073 9.542 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -5.427 7.663 7.598 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -5.429 8.073 9.329 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -4.842 6.481 8.793 1.00 0.00 H new ATOM 1608 N LYS A 100 -8.951 4.734 12.365 1.00 0.00 N ATOM 1609 CA LYS A 100 -9.195 4.475 13.777 1.00 0.00 C ATOM 1610 C LYS A 100 -8.252 3.396 14.305 1.00 0.00 C ATOM 1611 O LYS A 100 -7.671 2.633 13.533 1.00 0.00 O ATOM 1612 CB LYS A 100 -10.648 4.048 13.979 1.00 0.00 C ATOM 1613 CG LYS A 100 -11.651 5.041 13.410 1.00 0.00 C ATOM 1614 CD LYS A 100 -13.062 4.477 13.404 1.00 0.00 C ATOM 1615 CE LYS A 100 -13.584 4.301 11.986 1.00 0.00 C ATOM 1616 NZ LYS A 100 -14.949 3.706 11.967 1.00 0.00 N ATOM 0 H LYS A 100 -8.704 3.907 11.822 1.00 0.00 H new ATOM 0 HA LYS A 100 -9.007 5.392 14.335 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -10.803 3.076 13.510 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -10.837 3.921 15.045 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -11.629 5.958 13.999 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -11.362 5.308 12.393 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -13.074 3.517 13.919 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -13.724 5.143 13.957 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -13.602 5.268 11.483 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -12.902 3.663 11.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -14.899 2.735 11.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -15.334 3.689 12.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -15.568 4.278 11.358 1.00 0.00 H new ATOM 1630 N PRO A 101 -8.091 3.323 15.637 1.00 0.00 N ATOM 1631 CA PRO A 101 -7.219 2.336 16.278 1.00 0.00 C ATOM 1632 C PRO A 101 -7.800 0.929 16.218 1.00 0.00 C ATOM 1633 O PRO A 101 -7.078 -0.044 16.002 1.00 0.00 O ATOM 1634 CB PRO A 101 -7.142 2.822 17.726 1.00 0.00 C ATOM 1635 CG PRO A 101 -8.416 3.566 17.941 1.00 0.00 C ATOM 1636 CD PRO A 101 -8.757 4.195 16.620 1.00 0.00 C ATOM 0 HA PRO A 101 -6.249 2.265 15.786 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -7.049 1.987 18.420 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -6.276 3.465 17.883 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -9.209 2.894 18.270 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -8.299 4.324 18.715 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -9.835 4.230 16.459 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -8.392 5.220 16.558 1.00 0.00 H new ATOM 1644 N GLU A 102 -9.112 0.832 16.411 1.00 0.00 N ATOM 1645 CA GLU A 102 -9.797 -0.455 16.377 1.00 0.00 C ATOM 1646 C GLU A 102 -9.690 -1.091 14.996 1.00 0.00 C ATOM 1647 O GLU A 102 -9.740 -2.314 14.860 1.00 0.00 O ATOM 1648 CB GLU A 102 -11.263 -0.283 16.759 1.00 0.00 C ATOM 1649 CG GLU A 102 -11.963 0.773 15.934 1.00 0.00 C ATOM 1650 CD GLU A 102 -13.418 0.955 16.320 1.00 0.00 C ATOM 1651 OE1 GLU A 102 -14.277 0.259 15.739 1.00 0.00 O ATOM 1652 OE2 GLU A 102 -13.698 1.792 17.204 1.00 0.00 O ATOM 0 H GLU A 102 -9.722 1.629 16.593 1.00 0.00 H new ATOM 0 HA GLU A 102 -9.316 -1.115 17.099 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -11.780 -1.235 16.637 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -11.330 -0.017 17.814 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -11.440 1.723 16.049 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -11.903 0.502 14.880 1.00 0.00 H new ATOM 1659 N ASN A 103 -9.544 -0.252 13.973 1.00 0.00 N ATOM 1660 CA ASN A 103 -9.428 -0.731 12.600 1.00 0.00 C ATOM 1661 C ASN A 103 -8.276 -1.722 12.455 1.00 0.00 C ATOM 1662 O ASN A 103 -7.325 -1.700 13.237 1.00 0.00 O ATOM 1663 CB ASN A 103 -9.223 0.444 11.645 1.00 0.00 C ATOM 1664 CG ASN A 103 -10.365 1.441 11.694 1.00 0.00 C ATOM 1665 OD1 ASN A 103 -10.198 2.607 11.338 1.00 0.00 O ATOM 1666 ND2 ASN A 103 -11.532 0.990 12.141 1.00 0.00 N ATOM 0 H ASN A 103 -9.503 0.763 14.070 1.00 0.00 H new ATOM 0 HA ASN A 103 -10.355 -1.245 12.347 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -8.291 0.952 11.894 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -9.118 0.067 10.628 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -12.333 1.619 12.199 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -11.627 0.015 12.426 1.00 0.00 H new ATOM 1673 N GLU A 104 -8.371 -2.593 11.451 1.00 0.00 N ATOM 1674 CA GLU A 104 -7.343 -3.589 11.203 1.00 0.00 C ATOM 1675 C GLU A 104 -5.981 -2.934 11.015 1.00 0.00 C ATOM 1676 O GLU A 104 -5.886 -1.739 10.734 1.00 0.00 O ATOM 1677 CB GLU A 104 -7.694 -4.418 9.971 1.00 0.00 C ATOM 1678 CG GLU A 104 -7.555 -5.910 10.198 1.00 0.00 C ATOM 1679 CD GLU A 104 -8.832 -6.544 10.714 1.00 0.00 C ATOM 1680 OE1 GLU A 104 -9.010 -6.600 11.949 1.00 0.00 O ATOM 1681 OE2 GLU A 104 -9.654 -6.985 9.884 1.00 0.00 O ATOM 0 H GLU A 104 -9.154 -2.625 10.798 1.00 0.00 H new ATOM 0 HA GLU A 104 -7.293 -4.244 12.073 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -8.718 -4.196 9.671 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -7.048 -4.121 9.145 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -7.268 -6.391 9.263 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -6.750 -6.092 10.910 1.00 0.00 H new ATOM 1688 N ARG A 105 -4.932 -3.735 11.154 1.00 0.00 N ATOM 1689 CA ARG A 105 -3.566 -3.243 11.018 1.00 0.00 C ATOM 1690 C ARG A 105 -2.755 -4.148 10.096 1.00 0.00 C ATOM 1691 O ARG A 105 -3.174 -5.260 9.782 1.00 0.00 O ATOM 1692 CB ARG A 105 -2.896 -3.183 12.399 1.00 0.00 C ATOM 1693 CG ARG A 105 -1.522 -2.532 12.405 1.00 0.00 C ATOM 1694 CD ARG A 105 -1.639 -1.029 12.554 1.00 0.00 C ATOM 1695 NE ARG A 105 -2.259 -0.666 13.823 1.00 0.00 N ATOM 1696 CZ ARG A 105 -2.414 0.587 14.238 1.00 0.00 C ATOM 1697 NH1 ARG A 105 -1.995 1.597 13.487 1.00 0.00 N ATOM 1698 NH2 ARG A 105 -2.992 0.832 15.407 1.00 0.00 N ATOM 0 H ARG A 105 -5.001 -4.731 11.361 1.00 0.00 H new ATOM 0 HA ARG A 105 -3.601 -2.244 10.583 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -3.547 -2.636 13.081 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -2.806 -4.197 12.789 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -0.926 -2.938 13.223 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -0.998 -2.770 11.480 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -0.649 -0.577 12.489 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -2.228 -0.625 11.731 1.00 0.00 H new ATOM 0 HE ARG A 105 -2.593 -1.417 14.427 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -1.552 1.414 12.587 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -2.116 2.557 13.810 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -3.317 0.059 15.987 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -3.111 1.794 15.726 1.00 0.00 H new ATOM 1712 N TYR A 106 -1.615 -3.638 9.640 1.00 0.00 N ATOM 1713 CA TYR A 106 -0.701 -4.389 8.788 1.00 0.00 C ATOM 1714 C TYR A 106 0.529 -3.540 8.496 1.00 0.00 C ATOM 1715 O TYR A 106 0.780 -3.141 7.361 1.00 0.00 O ATOM 1716 CB TYR A 106 -1.395 -4.830 7.499 1.00 0.00 C ATOM 1717 CG TYR A 106 -0.593 -5.816 6.677 1.00 0.00 C ATOM 1718 CD1 TYR A 106 -0.680 -7.182 6.920 1.00 0.00 C ATOM 1719 CD2 TYR A 106 0.248 -5.384 5.661 1.00 0.00 C ATOM 1720 CE1 TYR A 106 0.049 -8.087 6.173 1.00 0.00 C ATOM 1721 CE2 TYR A 106 0.981 -6.283 4.910 1.00 0.00 C ATOM 1722 CZ TYR A 106 0.877 -7.633 5.170 1.00 0.00 C ATOM 1723 OH TYR A 106 1.606 -8.531 4.424 1.00 0.00 O ATOM 0 H TYR A 106 -1.299 -2.691 9.851 1.00 0.00 H new ATOM 0 HA TYR A 106 -0.386 -5.294 9.308 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -2.356 -5.279 7.751 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -1.604 -3.950 6.891 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -1.328 -7.542 7.706 1.00 0.00 H new ATOM 0 HD2 TYR A 106 0.331 -4.327 5.454 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -0.030 -9.145 6.374 1.00 0.00 H new ATOM 0 HE2 TYR A 106 1.632 -5.930 4.124 1.00 0.00 H new ATOM 0 HH TYR A 106 2.138 -8.047 3.758 1.00 0.00 H new ATOM 1733 N THR A 107 1.287 -3.258 9.549 1.00 0.00 N ATOM 1734 CA THR A 107 2.487 -2.443 9.439 1.00 0.00 C ATOM 1735 C THR A 107 3.706 -3.291 9.088 1.00 0.00 C ATOM 1736 O THR A 107 4.362 -3.848 9.968 1.00 0.00 O ATOM 1737 CB THR A 107 2.753 -1.687 10.753 1.00 0.00 C ATOM 1738 OG1 THR A 107 1.545 -1.074 11.218 1.00 0.00 O ATOM 1739 CG2 THR A 107 3.817 -0.624 10.560 1.00 0.00 C ATOM 0 H THR A 107 1.088 -3.585 10.494 1.00 0.00 H new ATOM 0 HA THR A 107 2.318 -1.726 8.636 1.00 0.00 H new ATOM 0 HB THR A 107 3.107 -2.405 11.492 1.00 0.00 H new ATOM 0 HG1 THR A 107 1.722 -0.596 12.055 1.00 0.00 H new ATOM 0 HG21 THR A 107 3.987 -0.104 11.503 1.00 0.00 H new ATOM 0 HG22 THR A 107 4.745 -1.093 10.232 1.00 0.00 H new ATOM 0 HG23 THR A 107 3.485 0.090 9.806 1.00 0.00 H new ATOM 1747 N LEU A 108 4.006 -3.382 7.796 1.00 0.00 N ATOM 1748 CA LEU A 108 5.144 -4.164 7.330 1.00 0.00 C ATOM 1749 C LEU A 108 6.458 -3.447 7.611 1.00 0.00 C ATOM 1750 O LEU A 108 6.907 -2.619 6.818 1.00 0.00 O ATOM 1751 CB LEU A 108 5.018 -4.451 5.830 1.00 0.00 C ATOM 1752 CG LEU A 108 6.226 -5.146 5.193 1.00 0.00 C ATOM 1753 CD1 LEU A 108 6.579 -6.418 5.951 1.00 0.00 C ATOM 1754 CD2 LEU A 108 5.955 -5.455 3.730 1.00 0.00 C ATOM 0 H LEU A 108 3.477 -2.924 7.054 1.00 0.00 H new ATOM 0 HA LEU A 108 5.144 -5.107 7.876 1.00 0.00 H new ATOM 0 HB2 LEU A 108 4.136 -5.071 5.668 1.00 0.00 H new ATOM 0 HB3 LEU A 108 4.845 -3.509 5.310 1.00 0.00 H new ATOM 0 HG LEU A 108 7.077 -4.468 5.250 1.00 0.00 H new ATOM 0 HD11 LEU A 108 7.439 -6.895 5.481 1.00 0.00 H new ATOM 0 HD12 LEU A 108 6.821 -6.170 6.985 1.00 0.00 H new ATOM 0 HD13 LEU A 108 5.730 -7.101 5.931 1.00 0.00 H new ATOM 0 HD21 LEU A 108 6.824 -5.948 3.295 1.00 0.00 H new ATOM 0 HD22 LEU A 108 5.088 -6.111 3.651 1.00 0.00 H new ATOM 0 HD23 LEU A 108 5.758 -4.527 3.193 1.00 0.00 H new ATOM 1766 N HIS A 109 7.068 -3.767 8.745 1.00 0.00 N ATOM 1767 CA HIS A 109 8.335 -3.157 9.125 1.00 0.00 C ATOM 1768 C HIS A 109 9.486 -3.775 8.343 1.00 0.00 C ATOM 1769 O HIS A 109 9.549 -4.991 8.157 1.00 0.00 O ATOM 1770 CB HIS A 109 8.569 -3.299 10.623 1.00 0.00 C ATOM 1771 CG HIS A 109 7.890 -2.247 11.440 1.00 0.00 C ATOM 1772 ND1 HIS A 109 8.556 -1.171 11.988 1.00 0.00 N ATOM 1773 CD2 HIS A 109 6.593 -2.108 11.803 1.00 0.00 C ATOM 1774 CE1 HIS A 109 7.700 -0.417 12.653 1.00 0.00 C ATOM 1775 NE2 HIS A 109 6.502 -0.963 12.556 1.00 0.00 N ATOM 0 H HIS A 109 6.706 -4.444 9.416 1.00 0.00 H new ATOM 0 HA HIS A 109 8.289 -2.095 8.883 1.00 0.00 H new ATOM 0 HB2 HIS A 109 8.218 -4.279 10.945 1.00 0.00 H new ATOM 0 HB3 HIS A 109 9.641 -3.264 10.819 1.00 0.00 H new ATOM 0 HD2 HIS A 109 5.781 -2.773 11.548 1.00 0.00 H new ATOM 0 HE1 HIS A 109 7.939 0.492 13.186 1.00 0.00 H new ATOM 0 HE2 HIS A 109 5.647 -0.594 12.973 1.00 0.00 H new ATOM 1784 N LEU A 110 10.402 -2.922 7.910 1.00 0.00 N ATOM 1785 CA LEU A 110 11.549 -3.347 7.118 1.00 0.00 C ATOM 1786 C LEU A 110 12.803 -2.568 7.496 1.00 0.00 C ATOM 1787 O LEU A 110 13.005 -1.444 7.034 1.00 0.00 O ATOM 1788 CB LEU A 110 11.260 -3.147 5.628 1.00 0.00 C ATOM 1789 CG LEU A 110 10.122 -3.998 5.058 1.00 0.00 C ATOM 1790 CD1 LEU A 110 9.863 -3.630 3.605 1.00 0.00 C ATOM 1791 CD2 LEU A 110 10.441 -5.480 5.185 1.00 0.00 C ATOM 0 H LEU A 110 10.373 -1.920 8.096 1.00 0.00 H new ATOM 0 HA LEU A 110 11.722 -4.403 7.324 1.00 0.00 H new ATOM 0 HB2 LEU A 110 11.024 -2.096 5.459 1.00 0.00 H new ATOM 0 HB3 LEU A 110 12.169 -3.364 5.067 1.00 0.00 H new ATOM 0 HG LEU A 110 9.219 -3.795 5.634 1.00 0.00 H new ATOM 0 HD11 LEU A 110 9.051 -4.243 3.213 1.00 0.00 H new ATOM 0 HD12 LEU A 110 9.587 -2.578 3.540 1.00 0.00 H new ATOM 0 HD13 LEU A 110 10.765 -3.805 3.019 1.00 0.00 H new ATOM 0 HD21 LEU A 110 9.619 -6.066 4.774 1.00 0.00 H new ATOM 0 HD22 LEU A 110 11.356 -5.704 4.636 1.00 0.00 H new ATOM 0 HD23 LEU A 110 10.577 -5.734 6.236 1.00 0.00 H new ATOM 1803 N ASN A 111 13.639 -3.160 8.341 1.00 0.00 N ATOM 1804 CA ASN A 111 14.879 -2.518 8.749 1.00 0.00 C ATOM 1805 C ASN A 111 15.895 -2.619 7.620 1.00 0.00 C ATOM 1806 O ASN A 111 16.794 -3.460 7.645 1.00 0.00 O ATOM 1807 CB ASN A 111 15.430 -3.163 10.023 1.00 0.00 C ATOM 1808 CG ASN A 111 16.743 -2.546 10.465 1.00 0.00 C ATOM 1809 OD1 ASN A 111 16.998 -1.365 10.230 1.00 0.00 O ATOM 1810 ND2 ASN A 111 17.586 -3.347 11.108 1.00 0.00 N ATOM 0 H ASN A 111 13.480 -4.079 8.754 1.00 0.00 H new ATOM 0 HA ASN A 111 14.681 -1.468 8.964 1.00 0.00 H new ATOM 0 HB2 ASN A 111 14.697 -3.062 10.824 1.00 0.00 H new ATOM 0 HB3 ASN A 111 15.573 -4.230 9.854 1.00 0.00 H new ATOM 0 HD21 ASN A 111 18.486 -2.989 11.428 1.00 0.00 H new ATOM 0 HD22 ASN A 111 17.333 -4.320 11.281 1.00 0.00 H new ATOM 1817 N VAL A 112 15.729 -1.759 6.622 1.00 0.00 N ATOM 1818 CA VAL A 112 16.603 -1.748 5.457 1.00 0.00 C ATOM 1819 C VAL A 112 18.073 -1.686 5.862 1.00 0.00 C ATOM 1820 O VAL A 112 18.490 -0.780 6.583 1.00 0.00 O ATOM 1821 CB VAL A 112 16.289 -0.557 4.529 1.00 0.00 C ATOM 1822 CG1 VAL A 112 16.798 -0.828 3.124 1.00 0.00 C ATOM 1823 CG2 VAL A 112 14.798 -0.262 4.511 1.00 0.00 C ATOM 0 H VAL A 112 14.991 -1.055 6.598 1.00 0.00 H new ATOM 0 HA VAL A 112 16.419 -2.679 4.921 1.00 0.00 H new ATOM 0 HB VAL A 112 16.803 0.322 4.918 1.00 0.00 H new ATOM 0 HG11 VAL A 112 16.568 0.023 2.483 1.00 0.00 H new ATOM 0 HG12 VAL A 112 17.877 -0.980 3.151 1.00 0.00 H new ATOM 0 HG13 VAL A 112 16.315 -1.721 2.728 1.00 0.00 H new ATOM 0 HG21 VAL A 112 14.602 0.582 3.850 1.00 0.00 H new ATOM 0 HG22 VAL A 112 14.258 -1.138 4.151 1.00 0.00 H new ATOM 0 HG23 VAL A 112 14.463 -0.018 5.519 1.00 0.00 H new ATOM 1833 N LYS A 113 18.851 -2.657 5.394 1.00 0.00 N ATOM 1834 CA LYS A 113 20.274 -2.714 5.704 1.00 0.00 C ATOM 1835 C LYS A 113 21.027 -1.580 5.016 1.00 0.00 C ATOM 1836 O LYS A 113 21.460 -1.774 3.861 1.00 0.00 O ATOM 1837 CB LYS A 113 20.854 -4.063 5.275 1.00 0.00 C ATOM 1838 CG LYS A 113 20.308 -5.242 6.066 1.00 0.00 C ATOM 1839 CD LYS A 113 20.759 -5.199 7.518 1.00 0.00 C ATOM 1840 CE LYS A 113 20.233 -6.390 8.301 1.00 0.00 C ATOM 1841 NZ LYS A 113 20.688 -6.369 9.718 1.00 0.00 N ATOM 1842 OXT LYS A 113 21.178 -0.508 5.639 1.00 0.00 O ATOM 0 H LYS A 113 18.519 -3.415 4.798 1.00 0.00 H new ATOM 0 HA LYS A 113 20.392 -2.601 6.782 1.00 0.00 H new ATOM 0 HB2 LYS A 113 20.645 -4.219 4.217 1.00 0.00 H new ATOM 0 HB3 LYS A 113 21.938 -4.034 5.385 1.00 0.00 H new ATOM 0 HG2 LYS A 113 19.219 -5.237 6.022 1.00 0.00 H new ATOM 0 HG3 LYS A 113 20.641 -6.174 5.608 1.00 0.00 H new ATOM 0 HD2 LYS A 113 21.848 -5.186 7.561 1.00 0.00 H new ATOM 0 HD3 LYS A 113 20.411 -4.276 7.981 1.00 0.00 H new ATOM 0 HE2 LYS A 113 19.143 -6.392 8.270 1.00 0.00 H new ATOM 0 HE3 LYS A 113 20.567 -7.313 7.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 20.307 -7.198 10.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 21.727 -6.393 9.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 20.348 -5.501 10.179 1.00 0.00 H new TER 1856 LYS A 113