USER MOD reduce.3.24.130724 H: found=0, std=0, add=913, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 910 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 97 HIS : no HE2:sc= -7.02! K(o=-5.9!,f=-7.9) USER MOD Set 1.2: A 99 SER OG : rot 131:sc= 1.16 USER MOD Set 2.1: A 16 CYS SG : rot 7:sc= 1.03 USER MOD Set 2.2: A 74 LYS NZ :NH3+ 152:sc= 1.53 (180deg=0.315) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl -116:sc= -0.0662 (180deg=-0.522) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot -130:sc= -0.463 USER MOD Single : A 12 LYS NZ :NH3+ -135:sc= 0 (180deg=-0.0139) USER MOD Single : A 13 SER OG : rot 180:sc= -0.515 USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 180:sc= -0.98 USER MOD Single : A 21 SER OG : rot -30:sc= 1.41 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -116:sc= -1.87 (180deg=-5.97!) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 THR OG1 : rot -168:sc= -4.55! USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ -120:sc= -0.165 (180deg=-0.733) USER MOD Single : A 34 LYS NZ :NH3+ -154:sc= 0.369 (180deg=0.128) USER MOD Single : A 38 SER OG : rot 180:sc= -0.0402 USER MOD Single : A 45 MET CE :methyl 169:sc= -7.14! (180deg=-7.43!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN :FLIP amide:sc= -0.5 F(o=-1.7,f=-0.5) USER MOD Single : A 52 GLN : amide:sc= -1.77! C(o=-1.8!,f=-3.7!) USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ -173:sc=-0.00524 (180deg=-0.0466) USER MOD Single : A 67 ASN : amide:sc= -0.678 X(o=-0.68,f=-1) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= -11.7! C(o=-12!,f=-22!) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 GLN : amide:sc= -0.47 X(o=-0.47,f=-0.053) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 GLN :FLIP amide:sc= -8.05! C(o=-9.7!,f=-8.1!) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 GLN : amide:sc= 0 K(o=0,f=-1.1!) USER MOD Single : A 101 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 103 GLN : amide:sc= -0.0499 X(o=-0.05,f=-0.21) USER MOD Single : A 104 LYS NZ :NH3+ 148:sc= 0.663 (180deg=0.0379) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot 103:sc= -4.22! USER MOD Single : A 109 ASN : amide:sc= -0.223 K(o=-0.22,f=-2!) USER MOD Single : A 110 LYS NZ :NH3+ -114:sc= -2.19! (180deg=-4.84!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -2.863 -7.522 -12.318 1.00 32.52 N ATOM 2 CA GLY A 1 -3.730 -6.462 -11.731 1.00 30.33 C ATOM 3 C GLY A 1 -3.103 -5.090 -11.977 1.00 62.35 C ATOM 4 O GLY A 1 -3.574 -4.319 -12.789 1.00 24.11 O ATOM 0 H1 GLY A 1 -3.292 -8.454 -12.149 1.00 32.52 H new ATOM 0 H2 GLY A 1 -2.768 -7.365 -13.342 1.00 32.52 H new ATOM 0 H3 GLY A 1 -1.923 -7.488 -11.873 1.00 32.52 H new ATOM 0 HA2 GLY A 1 -4.724 -6.504 -12.176 1.00 30.33 H new ATOM 0 HA3 GLY A 1 -3.853 -6.630 -10.661 1.00 30.33 H new ATOM 8 N SER A 2 -2.043 -4.777 -11.282 1.00 34.30 N ATOM 9 CA SER A 2 -1.391 -3.451 -11.479 1.00 62.20 C ATOM 10 C SER A 2 0.090 -3.631 -11.823 1.00 70.33 C ATOM 11 O SER A 2 0.823 -2.674 -11.969 1.00 32.44 O ATOM 12 CB SER A 2 -1.545 -2.731 -10.141 1.00 61.13 C ATOM 13 OG SER A 2 -2.307 -1.547 -10.334 1.00 21.35 O ATOM 0 H SER A 2 -1.601 -5.380 -10.588 1.00 34.30 H new ATOM 0 HA SER A 2 -1.840 -2.891 -12.299 1.00 62.20 H new ATOM 0 HB2 SER A 2 -2.038 -3.382 -9.419 1.00 61.13 H new ATOM 0 HB3 SER A 2 -0.565 -2.485 -9.732 1.00 61.13 H new ATOM 0 HG SER A 2 -2.411 -1.081 -9.478 1.00 21.35 H new ATOM 19 N MET A 3 0.537 -4.852 -11.952 1.00 34.42 N ATOM 20 CA MET A 3 1.969 -5.091 -12.286 1.00 75.53 C ATOM 21 C MET A 3 2.085 -6.096 -13.435 1.00 62.12 C ATOM 22 O MET A 3 2.368 -7.257 -13.218 1.00 30.30 O ATOM 23 CB MET A 3 2.586 -5.660 -11.010 1.00 72.43 C ATOM 24 CG MET A 3 2.926 -4.516 -10.052 1.00 61.22 C ATOM 25 SD MET A 3 3.280 -5.188 -8.409 1.00 22.50 S ATOM 26 CE MET A 3 1.566 -5.489 -7.912 1.00 14.43 C ATOM 0 H MET A 3 -0.029 -5.693 -11.840 1.00 34.42 H new ATOM 0 HA MET A 3 2.474 -4.181 -12.610 1.00 75.53 H new ATOM 0 HB2 MET A 3 1.891 -6.352 -10.535 1.00 72.43 H new ATOM 0 HB3 MET A 3 3.486 -6.227 -11.250 1.00 72.43 H new ATOM 0 HG2 MET A 3 3.788 -3.961 -10.423 1.00 61.22 H new ATOM 0 HG3 MET A 3 2.094 -3.814 -9.998 1.00 61.22 H new ATOM 0 HE1 MET A 3 1.319 -4.858 -7.058 1.00 14.43 H new ATOM 0 HE2 MET A 3 0.900 -5.254 -8.742 1.00 14.43 H new ATOM 0 HE3 MET A 3 1.446 -6.537 -7.636 1.00 14.43 H new ATOM 36 N PRO A 4 1.858 -5.609 -14.623 1.00 3.30 N ATOM 37 CA PRO A 4 1.935 -6.470 -15.829 1.00 1.25 C ATOM 38 C PRO A 4 3.391 -6.837 -16.139 1.00 43.14 C ATOM 39 O PRO A 4 4.045 -6.193 -16.935 1.00 52.14 O ATOM 40 CB PRO A 4 1.351 -5.591 -16.933 1.00 73.22 C ATOM 41 CG PRO A 4 1.565 -4.190 -16.459 1.00 65.11 C ATOM 42 CD PRO A 4 1.512 -4.223 -14.954 1.00 74.22 C ATOM 0 HA PRO A 4 1.404 -7.415 -15.713 1.00 1.25 H new ATOM 0 HB2 PRO A 4 1.851 -5.767 -17.885 1.00 73.22 H new ATOM 0 HB3 PRO A 4 0.292 -5.799 -17.086 1.00 73.22 H new ATOM 0 HG2 PRO A 4 2.526 -3.809 -16.803 1.00 65.11 H new ATOM 0 HG3 PRO A 4 0.798 -3.526 -16.858 1.00 65.11 H new ATOM 0 HD2 PRO A 4 2.217 -3.518 -14.513 1.00 74.22 H new ATOM 0 HD3 PRO A 4 0.522 -3.958 -14.582 1.00 74.22 H new ATOM 50 N LYS A 5 3.900 -7.866 -15.519 1.00 72.52 N ATOM 51 CA LYS A 5 5.311 -8.273 -15.783 1.00 44.02 C ATOM 52 C LYS A 5 5.412 -9.798 -15.870 1.00 51.20 C ATOM 53 O LYS A 5 4.840 -10.506 -15.067 1.00 11.51 O ATOM 54 CB LYS A 5 6.108 -7.748 -14.586 1.00 4.24 C ATOM 55 CG LYS A 5 7.358 -7.020 -15.082 1.00 74.44 C ATOM 56 CD LYS A 5 8.462 -7.114 -14.023 1.00 22.22 C ATOM 57 CE LYS A 5 8.734 -8.584 -13.700 1.00 53.11 C ATOM 58 NZ LYS A 5 10.214 -8.680 -13.555 1.00 34.32 N ATOM 0 H LYS A 5 3.401 -8.443 -14.841 1.00 72.52 H new ATOM 0 HA LYS A 5 5.686 -7.875 -16.726 1.00 44.02 H new ATOM 0 HB2 LYS A 5 5.491 -7.071 -13.994 1.00 4.24 H new ATOM 0 HB3 LYS A 5 6.391 -8.574 -13.934 1.00 4.24 H new ATOM 0 HG2 LYS A 5 7.700 -7.460 -16.019 1.00 74.44 H new ATOM 0 HG3 LYS A 5 7.125 -5.975 -15.287 1.00 74.44 H new ATOM 0 HD2 LYS A 5 9.372 -6.636 -14.387 1.00 22.22 H new ATOM 0 HD3 LYS A 5 8.161 -6.582 -13.121 1.00 22.22 H new ATOM 0 HE2 LYS A 5 8.227 -8.887 -12.784 1.00 53.11 H new ATOM 0 HE3 LYS A 5 8.372 -9.236 -14.495 1.00 53.11 H new ATOM 0 HZ1 LYS A 5 10.478 -9.661 -13.332 1.00 34.32 H new ATOM 0 HZ2 LYS A 5 10.669 -8.392 -14.445 1.00 34.32 H new ATOM 0 HZ3 LYS A 5 10.529 -8.054 -12.787 1.00 34.32 H new ATOM 72 N PRO A 6 6.143 -10.253 -16.851 1.00 15.33 N ATOM 73 CA PRO A 6 6.328 -11.710 -17.053 1.00 42.13 C ATOM 74 C PRO A 6 7.246 -12.286 -15.968 1.00 21.33 C ATOM 75 O PRO A 6 6.969 -13.320 -15.391 1.00 1.14 O ATOM 76 CB PRO A 6 6.982 -11.801 -18.428 1.00 41.11 C ATOM 77 CG PRO A 6 7.659 -10.481 -18.621 1.00 1.33 C ATOM 78 CD PRO A 6 6.860 -9.459 -17.854 1.00 31.20 C ATOM 0 HA PRO A 6 5.397 -12.274 -16.994 1.00 42.13 H new ATOM 0 HB2 PRO A 6 7.698 -12.622 -18.471 1.00 41.11 H new ATOM 0 HB3 PRO A 6 6.241 -11.982 -19.207 1.00 41.11 H new ATOM 0 HG2 PRO A 6 8.686 -10.518 -18.259 1.00 1.33 H new ATOM 0 HG3 PRO A 6 7.703 -10.221 -19.679 1.00 1.33 H new ATOM 0 HD2 PRO A 6 7.506 -8.715 -17.388 1.00 31.20 H new ATOM 0 HD3 PRO A 6 6.171 -8.920 -18.504 1.00 31.20 H new ATOM 86 N GLY A 7 8.333 -11.622 -15.684 1.00 51.22 N ATOM 87 CA GLY A 7 9.265 -12.126 -14.633 1.00 25.41 C ATOM 88 C GLY A 7 9.758 -13.524 -15.004 1.00 43.32 C ATOM 89 O GLY A 7 9.104 -14.255 -15.722 1.00 21.04 O ATOM 0 H GLY A 7 8.617 -10.752 -16.134 1.00 51.22 H new ATOM 0 HA2 GLY A 7 10.112 -11.448 -14.530 1.00 25.41 H new ATOM 0 HA3 GLY A 7 8.759 -12.153 -13.668 1.00 25.41 H new ATOM 93 N ILE A 8 10.907 -13.907 -14.515 1.00 30.13 N ATOM 94 CA ILE A 8 11.447 -15.260 -14.836 1.00 10.42 C ATOM 95 C ILE A 8 11.939 -15.946 -13.561 1.00 65.12 C ATOM 96 O ILE A 8 12.898 -15.522 -12.947 1.00 61.03 O ATOM 97 CB ILE A 8 12.613 -15.008 -15.791 1.00 3.44 C ATOM 98 CG1 ILE A 8 12.091 -14.381 -17.086 1.00 53.32 C ATOM 99 CG2 ILE A 8 13.302 -16.337 -16.112 1.00 54.40 C ATOM 100 CD1 ILE A 8 13.095 -13.343 -17.589 1.00 12.24 C ATOM 0 H ILE A 8 11.496 -13.340 -13.906 1.00 30.13 H new ATOM 0 HA ILE A 8 10.693 -15.911 -15.279 1.00 10.42 H new ATOM 0 HB ILE A 8 13.325 -14.329 -15.322 1.00 3.44 H new ATOM 0 HG12 ILE A 8 11.940 -15.152 -17.841 1.00 53.32 H new ATOM 0 HG13 ILE A 8 11.123 -13.912 -16.911 1.00 53.32 H new ATOM 0 HG21 ILE A 8 14.134 -16.160 -16.793 1.00 54.40 H new ATOM 0 HG22 ILE A 8 13.676 -16.785 -15.191 1.00 54.40 H new ATOM 0 HG23 ILE A 8 12.587 -17.014 -16.580 1.00 54.40 H new ATOM 0 HD11 ILE A 8 12.725 -12.896 -18.511 1.00 12.24 H new ATOM 0 HD12 ILE A 8 13.224 -12.566 -16.835 1.00 12.24 H new ATOM 0 HD13 ILE A 8 14.053 -13.826 -17.780 1.00 12.24 H new ATOM 112 N LEU A 9 11.294 -17.007 -13.157 1.00 44.32 N ATOM 113 CA LEU A 9 11.727 -17.719 -11.921 1.00 32.23 C ATOM 114 C LEU A 9 11.793 -19.227 -12.177 1.00 11.41 C ATOM 115 O LEU A 9 11.826 -19.673 -13.306 1.00 12.15 O ATOM 116 CB LEU A 9 10.653 -17.399 -10.881 1.00 24.52 C ATOM 117 CG LEU A 9 11.267 -16.583 -9.743 1.00 13.42 C ATOM 118 CD1 LEU A 9 10.163 -16.135 -8.785 1.00 71.30 C ATOM 119 CD2 LEU A 9 12.280 -17.445 -8.989 1.00 55.33 C ATOM 0 H LEU A 9 10.486 -17.411 -13.630 1.00 44.32 H new ATOM 0 HA LEU A 9 12.718 -17.408 -11.591 1.00 32.23 H new ATOM 0 HB2 LEU A 9 9.839 -16.841 -11.344 1.00 24.52 H new ATOM 0 HB3 LEU A 9 10.225 -18.322 -10.490 1.00 24.52 H new ATOM 0 HG LEU A 9 11.769 -15.707 -10.152 1.00 13.42 H new ATOM 0 HD11 LEU A 9 10.600 -15.553 -7.973 1.00 71.30 H new ATOM 0 HD12 LEU A 9 9.441 -15.521 -9.324 1.00 71.30 H new ATOM 0 HD13 LEU A 9 9.660 -17.011 -8.374 1.00 71.30 H new ATOM 0 HD21 LEU A 9 12.719 -16.865 -8.177 1.00 55.33 H new ATOM 0 HD22 LEU A 9 11.778 -18.321 -8.579 1.00 55.33 H new ATOM 0 HD23 LEU A 9 13.066 -17.764 -9.673 1.00 55.33 H new ATOM 131 N LYS A 10 11.809 -20.014 -11.137 1.00 4.33 N ATOM 132 CA LYS A 10 11.868 -21.492 -11.321 1.00 5.00 C ATOM 133 C LYS A 10 10.492 -22.109 -11.062 1.00 32.14 C ATOM 134 O LYS A 10 10.258 -23.271 -11.331 1.00 62.11 O ATOM 135 CB LYS A 10 12.881 -21.982 -10.283 1.00 75.10 C ATOM 136 CG LYS A 10 14.228 -22.235 -10.964 1.00 61.31 C ATOM 137 CD LYS A 10 15.092 -20.974 -10.863 1.00 24.23 C ATOM 138 CE LYS A 10 16.499 -21.279 -11.380 1.00 51.51 C ATOM 139 NZ LYS A 10 16.472 -20.892 -12.818 1.00 42.03 N ATOM 0 H LYS A 10 11.784 -19.698 -10.168 1.00 4.33 H new ATOM 0 HA LYS A 10 12.157 -21.772 -12.334 1.00 5.00 H new ATOM 0 HB2 LYS A 10 12.995 -21.241 -9.492 1.00 75.10 H new ATOM 0 HB3 LYS A 10 12.522 -22.897 -9.812 1.00 75.10 H new ATOM 0 HG2 LYS A 10 14.735 -23.076 -10.491 1.00 61.31 H new ATOM 0 HG3 LYS A 10 14.075 -22.502 -12.010 1.00 61.31 H new ATOM 0 HD2 LYS A 10 14.646 -20.167 -11.444 1.00 24.23 H new ATOM 0 HD3 LYS A 10 15.139 -20.634 -9.829 1.00 24.23 H new ATOM 0 HE2 LYS A 10 17.252 -20.712 -10.833 1.00 51.51 H new ATOM 0 HE3 LYS A 10 16.744 -22.334 -11.260 1.00 51.51 H new ATOM 0 HZ1 LYS A 10 17.404 -21.072 -13.244 1.00 42.03 H new ATOM 0 HZ2 LYS A 10 15.750 -21.452 -13.315 1.00 42.03 H new ATOM 0 HZ3 LYS A 10 16.243 -19.881 -12.901 1.00 42.03 H new ATOM 153 N SER A 11 9.577 -21.335 -10.543 1.00 75.10 N ATOM 154 CA SER A 11 8.211 -21.869 -10.268 1.00 72.02 C ATOM 155 C SER A 11 8.301 -23.131 -9.404 1.00 43.33 C ATOM 156 O SER A 11 9.352 -23.484 -8.907 1.00 13.14 O ATOM 157 CB SER A 11 7.629 -22.201 -11.640 1.00 32.41 C ATOM 158 OG SER A 11 6.211 -22.124 -11.581 1.00 61.13 O ATOM 0 H SER A 11 9.716 -20.355 -10.297 1.00 75.10 H new ATOM 0 HA SER A 11 7.591 -21.155 -9.726 1.00 72.02 H new ATOM 0 HB2 SER A 11 8.011 -21.506 -12.388 1.00 32.41 H new ATOM 0 HB3 SER A 11 7.938 -23.200 -11.946 1.00 32.41 H new ATOM 0 HG SER A 11 5.823 -22.938 -11.965 1.00 61.13 H new ATOM 164 N LYS A 12 7.203 -23.812 -9.223 1.00 42.22 N ATOM 165 CA LYS A 12 7.223 -25.050 -8.392 1.00 43.12 C ATOM 166 C LYS A 12 5.894 -25.796 -8.529 1.00 72.13 C ATOM 167 O LYS A 12 4.878 -25.217 -8.856 1.00 64.22 O ATOM 168 CB LYS A 12 7.421 -24.561 -6.956 1.00 61.30 C ATOM 169 CG LYS A 12 8.266 -25.575 -6.185 1.00 52.31 C ATOM 170 CD LYS A 12 7.617 -25.860 -4.830 1.00 44.11 C ATOM 171 CE LYS A 12 8.688 -25.844 -3.737 1.00 41.41 C ATOM 172 NZ LYS A 12 9.393 -27.148 -3.871 1.00 1.40 N ATOM 0 H LYS A 12 6.294 -23.566 -9.614 1.00 42.22 H new ATOM 0 HA LYS A 12 8.009 -25.741 -8.697 1.00 43.12 H new ATOM 0 HB2 LYS A 12 7.912 -23.588 -6.956 1.00 61.30 H new ATOM 0 HB3 LYS A 12 6.455 -24.431 -6.468 1.00 61.30 H new ATOM 0 HG2 LYS A 12 8.356 -26.498 -6.757 1.00 52.31 H new ATOM 0 HG3 LYS A 12 9.275 -25.189 -6.042 1.00 52.31 H new ATOM 0 HD2 LYS A 12 6.853 -25.112 -4.616 1.00 44.11 H new ATOM 0 HD3 LYS A 12 7.118 -26.829 -4.851 1.00 44.11 H new ATOM 0 HE2 LYS A 12 9.375 -25.008 -3.870 1.00 41.41 H new ATOM 0 HE3 LYS A 12 8.242 -25.736 -2.748 1.00 41.41 H new ATOM 0 HZ1 LYS A 12 9.524 -27.570 -2.930 1.00 1.40 H new ATOM 0 HZ2 LYS A 12 8.827 -27.789 -4.463 1.00 1.40 H new ATOM 0 HZ3 LYS A 12 10.322 -26.997 -4.314 1.00 1.40 H new ATOM 186 N SER A 13 5.893 -27.078 -8.284 1.00 31.42 N ATOM 187 CA SER A 13 4.628 -27.857 -8.405 1.00 31.14 C ATOM 188 C SER A 13 3.829 -27.775 -7.101 1.00 73.43 C ATOM 189 O SER A 13 3.024 -26.885 -6.910 1.00 13.13 O ATOM 190 CB SER A 13 5.072 -29.294 -8.673 1.00 11.12 C ATOM 191 OG SER A 13 4.009 -30.182 -8.353 1.00 32.02 O ATOM 0 H SER A 13 6.712 -27.619 -8.006 1.00 31.42 H new ATOM 0 HA SER A 13 3.982 -27.476 -9.196 1.00 31.14 H new ATOM 0 HB2 SER A 13 5.356 -29.410 -9.719 1.00 11.12 H new ATOM 0 HB3 SER A 13 5.952 -29.532 -8.076 1.00 11.12 H new ATOM 0 HG SER A 13 4.290 -31.105 -8.525 1.00 32.02 H new ATOM 197 N MET A 14 4.043 -28.697 -6.202 1.00 13.10 N ATOM 198 CA MET A 14 3.291 -28.673 -4.914 1.00 33.05 C ATOM 199 C MET A 14 1.789 -28.791 -5.180 1.00 1.13 C ATOM 200 O MET A 14 1.358 -28.951 -6.304 1.00 54.21 O ATOM 201 CB MET A 14 3.622 -27.318 -4.289 1.00 73.42 C ATOM 202 CG MET A 14 4.097 -27.520 -2.849 1.00 3.11 C ATOM 203 SD MET A 14 3.685 -26.059 -1.863 1.00 0.22 S ATOM 204 CE MET A 14 5.348 -25.738 -1.228 1.00 61.34 C ATOM 0 H MET A 14 4.706 -29.466 -6.303 1.00 13.10 H new ATOM 0 HA MET A 14 3.563 -29.500 -4.259 1.00 33.05 H new ATOM 0 HB2 MET A 14 4.396 -26.817 -4.871 1.00 73.42 H new ATOM 0 HB3 MET A 14 2.743 -26.674 -4.306 1.00 73.42 H new ATOM 0 HG2 MET A 14 3.626 -28.405 -2.421 1.00 3.11 H new ATOM 0 HG3 MET A 14 5.173 -27.692 -2.831 1.00 3.11 H new ATOM 0 HE1 MET A 14 5.328 -24.861 -0.582 1.00 61.34 H new ATOM 0 HE2 MET A 14 5.693 -26.601 -0.658 1.00 61.34 H new ATOM 0 HE3 MET A 14 6.027 -25.559 -2.061 1.00 61.34 H new ATOM 214 N PHE A 15 0.988 -28.714 -4.152 1.00 20.32 N ATOM 215 CA PHE A 15 -0.486 -28.823 -4.346 1.00 23.43 C ATOM 216 C PHE A 15 -1.141 -27.456 -4.133 1.00 35.32 C ATOM 217 O PHE A 15 -0.737 -26.688 -3.284 1.00 71.22 O ATOM 218 CB PHE A 15 -0.949 -29.825 -3.286 1.00 4.34 C ATOM 219 CG PHE A 15 -2.434 -29.670 -3.044 1.00 51.04 C ATOM 220 CD1 PHE A 15 -2.891 -28.764 -2.080 1.00 62.21 C ATOM 221 CD2 PHE A 15 -3.349 -30.428 -3.782 1.00 74.32 C ATOM 222 CE1 PHE A 15 -4.265 -28.617 -1.854 1.00 74.32 C ATOM 223 CE2 PHE A 15 -4.723 -30.281 -3.553 1.00 52.35 C ATOM 224 CZ PHE A 15 -5.181 -29.376 -2.590 1.00 63.11 C ATOM 0 H PHE A 15 1.290 -28.580 -3.187 1.00 20.32 H new ATOM 0 HA PHE A 15 -0.756 -29.148 -5.351 1.00 23.43 H new ATOM 0 HB2 PHE A 15 -0.729 -30.841 -3.613 1.00 4.34 H new ATOM 0 HB3 PHE A 15 -0.402 -29.664 -2.357 1.00 4.34 H new ATOM 0 HD1 PHE A 15 -2.184 -28.179 -1.511 1.00 62.21 H new ATOM 0 HD2 PHE A 15 -2.997 -31.126 -4.527 1.00 74.32 H new ATOM 0 HE1 PHE A 15 -4.618 -27.917 -1.111 1.00 74.32 H new ATOM 0 HE2 PHE A 15 -5.430 -30.867 -4.121 1.00 52.35 H new ATOM 0 HZ PHE A 15 -6.241 -29.263 -2.415 1.00 63.11 H new ATOM 234 N CYS A 16 -2.150 -27.147 -4.901 1.00 14.02 N ATOM 235 CA CYS A 16 -2.829 -25.828 -4.744 1.00 52.20 C ATOM 236 C CYS A 16 -4.338 -25.978 -4.943 1.00 72.25 C ATOM 237 O CYS A 16 -4.797 -26.848 -5.657 1.00 0.42 O ATOM 238 CB CYS A 16 -2.230 -24.942 -5.837 1.00 40.43 C ATOM 239 SG CYS A 16 -0.502 -24.578 -5.440 1.00 70.02 S ATOM 0 H CYS A 16 -2.534 -27.749 -5.629 1.00 14.02 H new ATOM 0 HA CYS A 16 -2.683 -25.406 -3.750 1.00 52.20 H new ATOM 0 HB2 CYS A 16 -2.294 -25.444 -6.803 1.00 40.43 H new ATOM 0 HB3 CYS A 16 -2.798 -24.015 -5.921 1.00 40.43 H new ATOM 0 HG CYS A 16 -0.141 -25.269 -4.400 1.00 70.02 H new ATOM 245 N VAL A 17 -5.114 -25.131 -4.323 1.00 3.12 N ATOM 246 CA VAL A 17 -6.595 -25.220 -4.483 1.00 14.31 C ATOM 247 C VAL A 17 -7.110 -23.998 -5.245 1.00 41.20 C ATOM 248 O VAL A 17 -6.780 -22.872 -4.926 1.00 24.42 O ATOM 249 CB VAL A 17 -7.158 -25.243 -3.062 1.00 42.04 C ATOM 250 CG1 VAL A 17 -8.569 -25.836 -3.082 1.00 31.34 C ATOM 251 CG2 VAL A 17 -6.267 -26.100 -2.157 1.00 3.34 C ATOM 0 H VAL A 17 -4.788 -24.382 -3.713 1.00 3.12 H new ATOM 0 HA VAL A 17 -6.896 -26.103 -5.047 1.00 14.31 H new ATOM 0 HB VAL A 17 -7.189 -24.224 -2.677 1.00 42.04 H new ATOM 0 HG11 VAL A 17 -8.971 -25.853 -2.069 1.00 31.34 H new ATOM 0 HG12 VAL A 17 -9.211 -25.226 -3.717 1.00 31.34 H new ATOM 0 HG13 VAL A 17 -8.531 -26.852 -3.474 1.00 31.34 H new ATOM 0 HG21 VAL A 17 -6.677 -26.110 -1.147 1.00 3.34 H new ATOM 0 HG22 VAL A 17 -6.229 -27.119 -2.543 1.00 3.34 H new ATOM 0 HG23 VAL A 17 -5.261 -25.682 -2.136 1.00 3.34 H new ATOM 261 N ILE A 18 -7.912 -24.207 -6.252 1.00 40.51 N ATOM 262 CA ILE A 18 -8.439 -23.049 -7.032 1.00 44.20 C ATOM 263 C ILE A 18 -9.911 -22.799 -6.690 1.00 74.03 C ATOM 264 O ILE A 18 -10.771 -23.609 -6.972 1.00 53.12 O ATOM 265 CB ILE A 18 -8.298 -23.460 -8.497 1.00 3.21 C ATOM 266 CG1 ILE A 18 -6.827 -23.388 -8.909 1.00 74.04 C ATOM 267 CG2 ILE A 18 -9.118 -22.509 -9.374 1.00 22.51 C ATOM 268 CD1 ILE A 18 -6.239 -24.799 -8.958 1.00 15.13 C ATOM 0 H ILE A 18 -8.225 -25.125 -6.569 1.00 40.51 H new ATOM 0 HA ILE A 18 -7.900 -22.128 -6.810 1.00 44.20 H new ATOM 0 HB ILE A 18 -8.662 -24.480 -8.624 1.00 3.21 H new ATOM 0 HG12 ILE A 18 -6.735 -22.911 -9.885 1.00 74.04 H new ATOM 0 HG13 ILE A 18 -6.270 -22.775 -8.200 1.00 74.04 H new ATOM 0 HG21 ILE A 18 -9.018 -22.801 -10.419 1.00 22.51 H new ATOM 0 HG22 ILE A 18 -10.167 -22.558 -9.082 1.00 22.51 H new ATOM 0 HG23 ILE A 18 -8.753 -21.490 -9.246 1.00 22.51 H new ATOM 0 HD11 ILE A 18 -5.191 -24.746 -9.252 1.00 15.13 H new ATOM 0 HD12 ILE A 18 -6.317 -25.260 -7.973 1.00 15.13 H new ATOM 0 HD13 ILE A 18 -6.789 -25.398 -9.684 1.00 15.13 H new ATOM 280 N TYR A 19 -10.209 -21.676 -6.094 1.00 50.52 N ATOM 281 CA TYR A 19 -11.624 -21.368 -5.743 1.00 4.22 C ATOM 282 C TYR A 19 -12.255 -20.509 -6.840 1.00 25.12 C ATOM 283 O TYR A 19 -11.566 -19.861 -7.603 1.00 1.41 O ATOM 284 CB TYR A 19 -11.555 -20.586 -4.432 1.00 11.14 C ATOM 285 CG TYR A 19 -11.275 -21.535 -3.291 1.00 11.44 C ATOM 286 CD1 TYR A 19 -9.977 -22.022 -3.087 1.00 22.21 C ATOM 287 CD2 TYR A 19 -12.311 -21.927 -2.435 1.00 63.10 C ATOM 288 CE1 TYR A 19 -9.718 -22.901 -2.028 1.00 11.25 C ATOM 289 CE2 TYR A 19 -12.052 -22.804 -1.377 1.00 43.32 C ATOM 290 CZ TYR A 19 -10.755 -23.291 -1.173 1.00 71.54 C ATOM 291 OH TYR A 19 -10.500 -24.157 -0.127 1.00 44.12 O ATOM 0 H TYR A 19 -9.532 -20.958 -5.835 1.00 50.52 H new ATOM 0 HA TYR A 19 -12.229 -22.269 -5.644 1.00 4.22 H new ATOM 0 HB2 TYR A 19 -10.773 -19.829 -4.489 1.00 11.14 H new ATOM 0 HB3 TYR A 19 -12.495 -20.061 -4.260 1.00 11.14 H new ATOM 0 HD1 TYR A 19 -9.177 -21.720 -3.746 1.00 22.21 H new ATOM 0 HD2 TYR A 19 -13.311 -21.552 -2.592 1.00 63.10 H new ATOM 0 HE1 TYR A 19 -8.718 -23.278 -1.871 1.00 11.25 H new ATOM 0 HE2 TYR A 19 -12.852 -23.106 -0.717 1.00 43.32 H new ATOM 0 HH TYR A 19 -11.329 -24.324 0.369 1.00 44.12 H new ATOM 301 N ARG A 20 -13.556 -20.491 -6.927 1.00 71.00 N ATOM 302 CA ARG A 20 -14.210 -19.664 -7.976 1.00 15.22 C ATOM 303 C ARG A 20 -15.302 -18.781 -7.366 1.00 22.14 C ATOM 304 O ARG A 20 -16.072 -19.207 -6.527 1.00 23.13 O ATOM 305 CB ARG A 20 -14.806 -20.669 -8.968 1.00 13.31 C ATOM 306 CG ARG A 20 -15.837 -21.555 -8.263 1.00 71.52 C ATOM 307 CD ARG A 20 -16.985 -21.861 -9.227 1.00 74.54 C ATOM 308 NE ARG A 20 -18.176 -21.199 -8.626 1.00 53.42 N ATOM 309 CZ ARG A 20 -19.367 -21.452 -9.093 1.00 72.04 C ATOM 310 NH1 ARG A 20 -20.047 -22.467 -8.634 1.00 32.01 N ATOM 311 NH2 ARG A 20 -19.878 -20.690 -10.021 1.00 22.21 N ATOM 0 H ARG A 20 -14.191 -21.010 -6.320 1.00 71.00 H new ATOM 0 HA ARG A 20 -13.506 -18.989 -8.462 1.00 15.22 H new ATOM 0 HB2 ARG A 20 -15.276 -20.139 -9.796 1.00 13.31 H new ATOM 0 HB3 ARG A 20 -14.014 -21.286 -9.393 1.00 13.31 H new ATOM 0 HG2 ARG A 20 -15.370 -22.482 -7.930 1.00 71.52 H new ATOM 0 HG3 ARG A 20 -16.218 -21.053 -7.374 1.00 71.52 H new ATOM 0 HD2 ARG A 20 -16.778 -21.472 -10.224 1.00 74.54 H new ATOM 0 HD3 ARG A 20 -17.139 -22.935 -9.329 1.00 74.54 H new ATOM 0 HE ARG A 20 -18.060 -20.548 -7.849 1.00 53.42 H new ATOM 0 HH11 ARG A 20 -19.647 -23.063 -7.909 1.00 32.01 H new ATOM 0 HH12 ARG A 20 -20.979 -22.664 -9.000 1.00 32.01 H new ATOM 0 HH21 ARG A 20 -19.346 -19.897 -10.380 1.00 22.21 H new ATOM 0 HH22 ARG A 20 -20.809 -20.887 -10.387 1.00 22.21 H new ATOM 325 N SER A 21 -15.367 -17.547 -7.775 1.00 24.12 N ATOM 326 CA SER A 21 -16.408 -16.632 -7.221 1.00 52.23 C ATOM 327 C SER A 21 -17.789 -17.031 -7.749 1.00 14.40 C ATOM 328 O SER A 21 -17.963 -17.290 -8.923 1.00 35.03 O ATOM 329 CB SER A 21 -16.023 -15.241 -7.720 1.00 30.04 C ATOM 330 OG SER A 21 -14.879 -14.786 -7.011 1.00 72.44 O ATOM 0 H SER A 21 -14.746 -17.130 -8.468 1.00 24.12 H new ATOM 0 HA SER A 21 -16.458 -16.671 -6.133 1.00 52.23 H new ATOM 0 HB2 SER A 21 -15.814 -15.271 -8.789 1.00 30.04 H new ATOM 0 HB3 SER A 21 -16.853 -14.549 -7.577 1.00 30.04 H new ATOM 0 HG SER A 21 -14.876 -15.175 -6.111 1.00 72.44 H new ATOM 336 N SER A 22 -18.770 -17.086 -6.892 1.00 12.24 N ATOM 337 CA SER A 22 -20.137 -17.472 -7.348 1.00 12.45 C ATOM 338 C SER A 22 -20.510 -16.703 -8.621 1.00 50.43 C ATOM 339 O SER A 22 -21.074 -17.254 -9.546 1.00 44.04 O ATOM 340 CB SER A 22 -21.065 -17.084 -6.200 1.00 22.35 C ATOM 341 OG SER A 22 -20.905 -18.010 -5.131 1.00 71.14 O ATOM 0 H SER A 22 -18.686 -16.881 -5.896 1.00 12.24 H new ATOM 0 HA SER A 22 -20.205 -18.533 -7.586 1.00 12.45 H new ATOM 0 HB2 SER A 22 -20.837 -16.074 -5.859 1.00 22.35 H new ATOM 0 HB3 SER A 22 -22.101 -17.079 -6.540 1.00 22.35 H new ATOM 0 HG SER A 22 -21.499 -17.762 -4.392 1.00 71.14 H new ATOM 347 N LYS A 23 -20.200 -15.436 -8.675 1.00 52.24 N ATOM 348 CA LYS A 23 -20.539 -14.638 -9.887 1.00 23.03 C ATOM 349 C LYS A 23 -19.580 -13.452 -10.027 1.00 24.20 C ATOM 350 O LYS A 23 -19.778 -12.406 -9.442 1.00 72.12 O ATOM 351 CB LYS A 23 -21.967 -14.148 -9.651 1.00 42.31 C ATOM 352 CG LYS A 23 -22.032 -13.383 -8.326 1.00 72.41 C ATOM 353 CD LYS A 23 -22.795 -14.211 -7.291 1.00 51.04 C ATOM 354 CE LYS A 23 -22.639 -13.570 -5.910 1.00 62.25 C ATOM 355 NZ LYS A 23 -21.219 -13.817 -5.525 1.00 63.12 N ATOM 0 H LYS A 23 -19.727 -14.920 -7.933 1.00 52.24 H new ATOM 0 HA LYS A 23 -20.454 -15.223 -10.803 1.00 23.03 H new ATOM 0 HB2 LYS A 23 -22.282 -13.503 -10.471 1.00 42.31 H new ATOM 0 HB3 LYS A 23 -22.654 -14.994 -9.629 1.00 42.31 H new ATOM 0 HG2 LYS A 23 -21.025 -13.172 -7.967 1.00 72.41 H new ATOM 0 HG3 LYS A 23 -22.526 -12.422 -8.473 1.00 72.41 H new ATOM 0 HD2 LYS A 23 -23.850 -14.268 -7.561 1.00 51.04 H new ATOM 0 HD3 LYS A 23 -22.415 -15.232 -7.275 1.00 51.04 H new ATOM 0 HE2 LYS A 23 -22.858 -12.503 -5.944 1.00 62.25 H new ATOM 0 HE3 LYS A 23 -23.326 -14.014 -5.189 1.00 62.25 H new ATOM 0 HZ1 LYS A 23 -21.189 -14.429 -4.685 1.00 63.12 H new ATOM 0 HZ2 LYS A 23 -20.722 -14.283 -6.311 1.00 63.12 H new ATOM 0 HZ3 LYS A 23 -20.755 -12.911 -5.311 1.00 63.12 H new ATOM 369 N ARG A 24 -18.543 -13.604 -10.804 1.00 20.52 N ATOM 370 CA ARG A 24 -17.573 -12.482 -10.980 1.00 4.10 C ATOM 371 C ARG A 24 -16.906 -12.567 -12.356 1.00 13.34 C ATOM 372 O ARG A 24 -17.204 -13.437 -13.150 1.00 5.41 O ATOM 373 CB ARG A 24 -16.540 -12.676 -9.869 1.00 3.13 C ATOM 374 CG ARG A 24 -16.972 -11.898 -8.624 1.00 70.42 C ATOM 375 CD ARG A 24 -16.946 -10.398 -8.922 1.00 64.11 C ATOM 376 NE ARG A 24 -15.726 -9.888 -8.235 1.00 0.13 N ATOM 377 CZ ARG A 24 -14.909 -9.089 -8.862 1.00 34.12 C ATOM 378 NH1 ARG A 24 -15.378 -8.180 -9.675 1.00 13.23 N ATOM 379 NH2 ARG A 24 -13.621 -9.198 -8.679 1.00 54.32 N ATOM 0 H ARG A 24 -18.324 -14.454 -11.324 1.00 20.52 H new ATOM 0 HA ARG A 24 -18.055 -11.506 -10.923 1.00 4.10 H new ATOM 0 HB2 ARG A 24 -16.441 -13.735 -9.632 1.00 3.13 H new ATOM 0 HB3 ARG A 24 -15.562 -12.331 -10.204 1.00 3.13 H new ATOM 0 HG2 ARG A 24 -17.974 -12.202 -8.323 1.00 70.42 H new ATOM 0 HG3 ARG A 24 -16.306 -12.125 -7.791 1.00 70.42 H new ATOM 0 HD2 ARG A 24 -16.902 -10.210 -9.995 1.00 64.11 H new ATOM 0 HD3 ARG A 24 -17.844 -9.906 -8.548 1.00 64.11 H new ATOM 0 HE ARG A 24 -15.530 -10.164 -7.273 1.00 0.13 H new ATOM 0 HH11 ARG A 24 -16.384 -8.095 -9.819 1.00 13.23 H new ATOM 0 HH12 ARG A 24 -14.738 -7.555 -10.165 1.00 13.23 H new ATOM 0 HH21 ARG A 24 -13.254 -9.908 -8.046 1.00 54.32 H new ATOM 0 HH22 ARG A 24 -12.981 -8.573 -9.170 1.00 54.32 H new ATOM 393 N ASP A 25 -16.005 -11.667 -12.643 1.00 53.22 N ATOM 394 CA ASP A 25 -15.316 -11.691 -13.965 1.00 31.33 C ATOM 395 C ASP A 25 -14.246 -12.785 -13.988 1.00 14.25 C ATOM 396 O ASP A 25 -13.063 -12.510 -14.053 1.00 1.54 O ATOM 397 CB ASP A 25 -14.673 -10.311 -14.102 1.00 74.03 C ATOM 398 CG ASP A 25 -15.766 -9.246 -14.201 1.00 23.03 C ATOM 399 OD1 ASP A 25 -16.918 -9.584 -13.982 1.00 72.10 O ATOM 400 OD2 ASP A 25 -15.434 -8.110 -14.497 1.00 74.52 O ATOM 0 H ASP A 25 -15.716 -10.915 -12.018 1.00 53.22 H new ATOM 0 HA ASP A 25 -16.004 -11.904 -14.783 1.00 31.33 H new ATOM 0 HB2 ASP A 25 -14.032 -10.110 -13.244 1.00 74.03 H new ATOM 0 HB3 ASP A 25 -14.039 -10.280 -14.988 1.00 74.03 H new ATOM 405 N GLN A 26 -14.648 -14.026 -13.937 1.00 13.51 N ATOM 406 CA GLN A 26 -13.651 -15.133 -13.957 1.00 74.21 C ATOM 407 C GLN A 26 -12.620 -14.938 -12.840 1.00 41.04 C ATOM 408 O GLN A 26 -11.428 -15.035 -13.056 1.00 13.11 O ATOM 409 CB GLN A 26 -12.982 -15.035 -15.329 1.00 60.34 C ATOM 410 CG GLN A 26 -13.983 -15.433 -16.415 1.00 1.35 C ATOM 411 CD GLN A 26 -14.432 -14.185 -17.179 1.00 21.04 C ATOM 412 OE1 GLN A 26 -15.496 -13.654 -16.927 1.00 11.21 O ATOM 413 NE2 GLN A 26 -13.661 -13.691 -18.109 1.00 34.11 N ATOM 0 H GLN A 26 -15.623 -14.320 -13.882 1.00 13.51 H new ATOM 0 HA GLN A 26 -14.111 -16.108 -13.796 1.00 74.21 H new ATOM 0 HB2 GLN A 26 -12.628 -14.019 -15.501 1.00 60.34 H new ATOM 0 HB3 GLN A 26 -12.109 -15.687 -15.367 1.00 60.34 H new ATOM 0 HG2 GLN A 26 -13.527 -16.147 -17.100 1.00 1.35 H new ATOM 0 HG3 GLN A 26 -14.845 -15.927 -15.966 1.00 1.35 H new ATOM 0 HE21 GLN A 26 -12.768 -14.136 -18.321 1.00 34.11 H new ATOM 0 HE22 GLN A 26 -13.951 -12.860 -18.624 1.00 34.11 H new ATOM 422 N THR A 27 -13.070 -14.666 -11.646 1.00 51.41 N ATOM 423 CA THR A 27 -12.117 -14.467 -10.514 1.00 31.05 C ATOM 424 C THR A 27 -11.919 -15.784 -9.756 1.00 20.33 C ATOM 425 O THR A 27 -12.868 -16.462 -9.418 1.00 63.44 O ATOM 426 CB THR A 27 -12.779 -13.421 -9.616 1.00 64.23 C ATOM 427 OG1 THR A 27 -12.764 -12.158 -10.270 1.00 34.21 O ATOM 428 CG2 THR A 27 -12.017 -13.321 -8.295 1.00 73.13 C ATOM 0 H THR A 27 -14.056 -14.573 -11.404 1.00 51.41 H new ATOM 0 HA THR A 27 -11.132 -14.144 -10.852 1.00 31.05 H new ATOM 0 HB THR A 27 -13.809 -13.716 -9.416 1.00 64.23 H new ATOM 0 HG1 THR A 27 -13.010 -11.456 -9.632 1.00 34.21 H new ATOM 0 HG21 THR A 27 -12.491 -12.575 -7.657 1.00 73.13 H new ATOM 0 HG22 THR A 27 -12.030 -14.289 -7.793 1.00 73.13 H new ATOM 0 HG23 THR A 27 -10.986 -13.028 -8.491 1.00 73.13 H new ATOM 436 N TYR A 28 -10.694 -16.148 -9.490 1.00 54.20 N ATOM 437 CA TYR A 28 -10.446 -17.426 -8.759 1.00 41.35 C ATOM 438 C TYR A 28 -9.368 -17.239 -7.688 1.00 43.31 C ATOM 439 O TYR A 28 -8.415 -16.508 -7.871 1.00 12.20 O ATOM 440 CB TYR A 28 -9.968 -18.409 -9.828 1.00 73.13 C ATOM 441 CG TYR A 28 -11.148 -18.897 -10.633 1.00 54.51 C ATOM 442 CD1 TYR A 28 -11.762 -18.045 -11.558 1.00 51.52 C ATOM 443 CD2 TYR A 28 -11.626 -20.199 -10.455 1.00 42.52 C ATOM 444 CE1 TYR A 28 -12.857 -18.497 -12.306 1.00 20.14 C ATOM 445 CE2 TYR A 28 -12.719 -20.651 -11.201 1.00 51.14 C ATOM 446 CZ TYR A 28 -13.334 -19.801 -12.127 1.00 43.04 C ATOM 447 OH TYR A 28 -14.414 -20.247 -12.864 1.00 70.43 O ATOM 0 H TYR A 28 -9.859 -15.621 -9.745 1.00 54.20 H new ATOM 0 HA TYR A 28 -11.340 -17.778 -8.245 1.00 41.35 H new ATOM 0 HB2 TYR A 28 -9.243 -17.925 -10.483 1.00 73.13 H new ATOM 0 HB3 TYR A 28 -9.461 -19.253 -9.360 1.00 73.13 H new ATOM 0 HD1 TYR A 28 -11.392 -17.040 -11.695 1.00 51.52 H new ATOM 0 HD2 TYR A 28 -11.151 -20.856 -9.741 1.00 42.52 H new ATOM 0 HE1 TYR A 28 -13.332 -17.840 -13.020 1.00 20.14 H new ATOM 0 HE2 TYR A 28 -13.089 -21.656 -11.062 1.00 51.14 H new ATOM 0 HH TYR A 28 -14.617 -21.174 -12.619 1.00 70.43 H new ATOM 457 N LEU A 29 -9.514 -17.905 -6.574 1.00 74.44 N ATOM 458 CA LEU A 29 -8.500 -17.779 -5.489 1.00 3.22 C ATOM 459 C LEU A 29 -7.583 -19.005 -5.482 1.00 73.23 C ATOM 460 O LEU A 29 -7.957 -20.074 -5.918 1.00 20.52 O ATOM 461 CB LEU A 29 -9.313 -17.710 -4.196 1.00 12.32 C ATOM 462 CG LEU A 29 -9.223 -16.301 -3.611 1.00 41.24 C ATOM 463 CD1 LEU A 29 -9.931 -16.264 -2.255 1.00 4.13 C ATOM 464 CD2 LEU A 29 -7.754 -15.918 -3.428 1.00 53.42 C ATOM 0 H LEU A 29 -10.293 -18.531 -6.369 1.00 74.44 H new ATOM 0 HA LEU A 29 -7.862 -16.905 -5.616 1.00 3.22 H new ATOM 0 HB2 LEU A 29 -10.354 -17.967 -4.394 1.00 12.32 H new ATOM 0 HB3 LEU A 29 -8.936 -18.438 -3.478 1.00 12.32 H new ATOM 0 HG LEU A 29 -9.702 -15.595 -4.290 1.00 41.24 H new ATOM 0 HD11 LEU A 29 -9.867 -15.259 -1.838 1.00 4.13 H new ATOM 0 HD12 LEU A 29 -10.978 -16.537 -2.384 1.00 4.13 H new ATOM 0 HD13 LEU A 29 -9.453 -16.970 -1.576 1.00 4.13 H new ATOM 0 HD21 LEU A 29 -7.689 -14.913 -3.011 1.00 53.42 H new ATOM 0 HD22 LEU A 29 -7.276 -16.624 -2.749 1.00 53.42 H new ATOM 0 HD23 LEU A 29 -7.248 -15.943 -4.393 1.00 53.42 H new ATOM 476 N TYR A 30 -6.385 -18.856 -4.988 1.00 33.24 N ATOM 477 CA TYR A 30 -5.445 -20.015 -4.950 1.00 65.32 C ATOM 478 C TYR A 30 -4.806 -20.130 -3.566 1.00 73.21 C ATOM 479 O TYR A 30 -4.567 -19.142 -2.900 1.00 21.11 O ATOM 480 CB TYR A 30 -4.386 -19.702 -6.006 1.00 73.21 C ATOM 481 CG TYR A 30 -4.982 -19.878 -7.380 1.00 63.03 C ATOM 482 CD1 TYR A 30 -5.927 -18.962 -7.853 1.00 41.45 C ATOM 483 CD2 TYR A 30 -4.590 -20.957 -8.183 1.00 62.00 C ATOM 484 CE1 TYR A 30 -6.484 -19.126 -9.128 1.00 73.44 C ATOM 485 CE2 TYR A 30 -5.146 -21.119 -9.456 1.00 1.10 C ATOM 486 CZ TYR A 30 -6.092 -20.204 -9.929 1.00 42.31 C ATOM 487 OH TYR A 30 -6.641 -20.363 -11.186 1.00 13.11 O ATOM 0 H TYR A 30 -6.015 -17.984 -4.609 1.00 33.24 H new ATOM 0 HA TYR A 30 -5.948 -20.962 -5.147 1.00 65.32 H new ATOM 0 HB2 TYR A 30 -4.024 -18.681 -5.883 1.00 73.21 H new ATOM 0 HB3 TYR A 30 -3.527 -20.362 -5.883 1.00 73.21 H new ATOM 0 HD1 TYR A 30 -6.227 -18.128 -7.236 1.00 41.45 H new ATOM 0 HD2 TYR A 30 -3.859 -21.663 -7.819 1.00 62.00 H new ATOM 0 HE1 TYR A 30 -7.216 -18.420 -9.492 1.00 73.44 H new ATOM 0 HE2 TYR A 30 -4.845 -21.952 -10.074 1.00 1.10 H new ATOM 0 HH TYR A 30 -6.260 -21.160 -11.611 1.00 13.11 H new ATOM 497 N VAL A 31 -4.527 -21.326 -3.129 1.00 62.35 N ATOM 498 CA VAL A 31 -3.902 -21.507 -1.784 1.00 62.32 C ATOM 499 C VAL A 31 -3.107 -22.810 -1.744 1.00 61.34 C ATOM 500 O VAL A 31 -3.407 -23.755 -2.446 1.00 73.13 O ATOM 501 CB VAL A 31 -5.059 -21.581 -0.775 1.00 54.23 C ATOM 502 CG1 VAL A 31 -5.306 -20.200 -0.173 1.00 1.43 C ATOM 503 CG2 VAL A 31 -6.340 -22.080 -1.458 1.00 33.30 C ATOM 0 H VAL A 31 -4.704 -22.189 -3.644 1.00 62.35 H new ATOM 0 HA VAL A 31 -3.220 -20.688 -1.556 1.00 62.32 H new ATOM 0 HB VAL A 31 -4.787 -22.282 0.014 1.00 54.23 H new ATOM 0 HG11 VAL A 31 -6.127 -20.256 0.542 1.00 1.43 H new ATOM 0 HG12 VAL A 31 -4.405 -19.858 0.336 1.00 1.43 H new ATOM 0 HG13 VAL A 31 -5.563 -19.498 -0.966 1.00 1.43 H new ATOM 0 HG21 VAL A 31 -7.148 -22.126 -0.728 1.00 33.30 H new ATOM 0 HG22 VAL A 31 -6.615 -21.395 -2.261 1.00 33.30 H new ATOM 0 HG23 VAL A 31 -6.168 -23.074 -1.872 1.00 33.30 H new ATOM 513 N GLU A 32 -2.107 -22.875 -0.910 1.00 53.51 N ATOM 514 CA GLU A 32 -1.315 -24.133 -0.815 1.00 42.12 C ATOM 515 C GLU A 32 -2.194 -25.231 -0.214 1.00 21.20 C ATOM 516 O GLU A 32 -1.852 -26.397 -0.228 1.00 51.23 O ATOM 517 CB GLU A 32 -0.146 -23.803 0.115 1.00 31.35 C ATOM 518 CG GLU A 32 -0.679 -23.460 1.507 1.00 20.11 C ATOM 519 CD GLU A 32 0.184 -24.145 2.567 1.00 13.12 C ATOM 520 OE1 GLU A 32 -0.044 -25.315 2.822 1.00 11.12 O ATOM 521 OE2 GLU A 32 1.060 -23.487 3.105 1.00 42.45 O ATOM 0 H GLU A 32 -1.806 -22.119 -0.295 1.00 53.51 H new ATOM 0 HA GLU A 32 -0.961 -24.487 -1.783 1.00 42.12 H new ATOM 0 HB2 GLU A 32 0.535 -24.652 0.174 1.00 31.35 H new ATOM 0 HB3 GLU A 32 0.424 -22.964 -0.284 1.00 31.35 H new ATOM 0 HG2 GLU A 32 -0.668 -22.380 1.656 1.00 20.11 H new ATOM 0 HG3 GLU A 32 -1.715 -23.784 1.601 1.00 20.11 H new ATOM 528 N LYS A 33 -3.332 -24.858 0.308 1.00 55.40 N ATOM 529 CA LYS A 33 -4.253 -25.859 0.911 1.00 24.52 C ATOM 530 C LYS A 33 -5.665 -25.271 0.996 1.00 22.42 C ATOM 531 O LYS A 33 -5.840 -24.073 1.104 1.00 54.32 O ATOM 532 CB LYS A 33 -3.688 -26.131 2.307 1.00 65.33 C ATOM 533 CG LYS A 33 -4.062 -24.980 3.247 1.00 53.52 C ATOM 534 CD LYS A 33 -2.831 -24.543 4.041 1.00 41.24 C ATOM 535 CE LYS A 33 -3.133 -23.233 4.776 1.00 22.04 C ATOM 536 NZ LYS A 33 -3.150 -22.181 3.717 1.00 63.42 N ATOM 0 H LYS A 33 -3.664 -23.894 0.342 1.00 55.40 H new ATOM 0 HA LYS A 33 -4.322 -26.775 0.325 1.00 24.52 H new ATOM 0 HB2 LYS A 33 -4.082 -27.071 2.693 1.00 65.33 H new ATOM 0 HB3 LYS A 33 -2.604 -26.236 2.257 1.00 65.33 H new ATOM 0 HG2 LYS A 33 -4.453 -24.140 2.672 1.00 53.52 H new ATOM 0 HG3 LYS A 33 -4.853 -25.296 3.928 1.00 53.52 H new ATOM 0 HD2 LYS A 33 -2.553 -25.317 4.756 1.00 41.24 H new ATOM 0 HD3 LYS A 33 -1.982 -24.408 3.371 1.00 41.24 H new ATOM 0 HE2 LYS A 33 -4.091 -23.285 5.294 1.00 22.04 H new ATOM 0 HE3 LYS A 33 -2.374 -23.021 5.529 1.00 22.04 H new ATOM 0 HZ1 LYS A 33 -2.421 -21.469 3.924 1.00 63.42 H new ATOM 0 HZ2 LYS A 33 -2.957 -22.616 2.792 1.00 63.42 H new ATOM 0 HZ3 LYS A 33 -4.084 -21.724 3.696 1.00 63.42 H new ATOM 550 N LYS A 34 -6.672 -26.097 0.953 1.00 32.14 N ATOM 551 CA LYS A 34 -8.064 -25.571 1.037 1.00 34.32 C ATOM 552 C LYS A 34 -8.443 -25.326 2.497 1.00 53.23 C ATOM 553 O LYS A 34 -9.374 -25.912 3.014 1.00 63.35 O ATOM 554 CB LYS A 34 -8.941 -26.669 0.431 1.00 41.23 C ATOM 555 CG LYS A 34 -8.889 -27.911 1.322 1.00 71.21 C ATOM 556 CD LYS A 34 -10.292 -28.233 1.843 1.00 32.31 C ATOM 557 CE LYS A 34 -10.189 -29.201 3.020 1.00 70.21 C ATOM 558 NZ LYS A 34 -10.587 -28.399 4.214 1.00 4.13 N ATOM 0 H LYS A 34 -6.593 -27.110 0.864 1.00 32.14 H new ATOM 0 HA LYS A 34 -8.182 -24.623 0.513 1.00 34.32 H new ATOM 0 HB2 LYS A 34 -9.969 -26.318 0.337 1.00 41.23 H new ATOM 0 HB3 LYS A 34 -8.595 -26.914 -0.573 1.00 41.23 H new ATOM 0 HG2 LYS A 34 -8.497 -28.758 0.759 1.00 71.21 H new ATOM 0 HG3 LYS A 34 -8.210 -27.742 2.158 1.00 71.21 H new ATOM 0 HD2 LYS A 34 -10.795 -27.317 2.154 1.00 32.31 H new ATOM 0 HD3 LYS A 34 -10.894 -28.673 1.048 1.00 32.31 H new ATOM 0 HE2 LYS A 34 -10.847 -30.060 2.884 1.00 70.21 H new ATOM 0 HE3 LYS A 34 -9.176 -29.589 3.125 1.00 70.21 H new ATOM 0 HZ1 LYS A 34 -10.146 -28.801 5.065 1.00 4.13 H new ATOM 0 HZ2 LYS A 34 -10.272 -27.415 4.092 1.00 4.13 H new ATOM 0 HZ3 LYS A 34 -11.622 -28.421 4.317 1.00 4.13 H new ATOM 572 N ASP A 35 -7.723 -24.471 3.174 1.00 3.21 N ATOM 573 CA ASP A 35 -8.045 -24.202 4.605 1.00 23.43 C ATOM 574 C ASP A 35 -8.911 -22.946 4.736 1.00 72.54 C ATOM 575 O ASP A 35 -10.085 -23.023 5.045 1.00 55.40 O ATOM 576 CB ASP A 35 -6.687 -23.992 5.281 1.00 35.40 C ATOM 577 CG ASP A 35 -6.892 -23.318 6.641 1.00 54.21 C ATOM 578 OD1 ASP A 35 -7.852 -23.657 7.310 1.00 64.21 O ATOM 579 OD2 ASP A 35 -6.082 -22.472 6.986 1.00 52.34 O ATOM 0 H ASP A 35 -6.930 -23.950 2.800 1.00 3.21 H new ATOM 0 HA ASP A 35 -8.609 -25.017 5.059 1.00 23.43 H new ATOM 0 HB2 ASP A 35 -6.181 -24.949 5.410 1.00 35.40 H new ATOM 0 HB3 ASP A 35 -6.046 -23.375 4.650 1.00 35.40 H new ATOM 584 N ASP A 36 -8.342 -21.795 4.515 1.00 64.21 N ATOM 585 CA ASP A 36 -9.134 -20.538 4.640 1.00 32.01 C ATOM 586 C ASP A 36 -8.373 -19.363 4.022 1.00 24.41 C ATOM 587 O ASP A 36 -7.221 -19.476 3.652 1.00 12.30 O ATOM 588 CB ASP A 36 -9.307 -20.318 6.142 1.00 52.04 C ATOM 589 CG ASP A 36 -10.554 -21.058 6.627 1.00 43.31 C ATOM 590 OD1 ASP A 36 -11.644 -20.577 6.365 1.00 60.42 O ATOM 591 OD2 ASP A 36 -10.399 -22.092 7.257 1.00 64.03 O ATOM 0 H ASP A 36 -7.364 -21.669 4.253 1.00 64.21 H new ATOM 0 HA ASP A 36 -10.091 -20.610 4.122 1.00 32.01 H new ATOM 0 HB2 ASP A 36 -8.427 -20.677 6.676 1.00 52.04 H new ATOM 0 HB3 ASP A 36 -9.397 -19.253 6.356 1.00 52.04 H new ATOM 596 N PHE A 37 -9.009 -18.230 3.928 1.00 14.12 N ATOM 597 CA PHE A 37 -8.332 -17.031 3.355 1.00 42.02 C ATOM 598 C PHE A 37 -8.349 -15.899 4.386 1.00 13.05 C ATOM 599 O PHE A 37 -9.342 -15.223 4.565 1.00 11.33 O ATOM 600 CB PHE A 37 -9.177 -16.646 2.143 1.00 15.13 C ATOM 601 CG PHE A 37 -8.911 -17.598 1.003 1.00 41.01 C ATOM 602 CD1 PHE A 37 -9.644 -18.786 0.898 1.00 13.33 C ATOM 603 CD2 PHE A 37 -7.936 -17.290 0.046 1.00 54.03 C ATOM 604 CE1 PHE A 37 -9.402 -19.667 -0.163 1.00 24.41 C ATOM 605 CE2 PHE A 37 -7.695 -18.168 -1.015 1.00 33.15 C ATOM 606 CZ PHE A 37 -8.426 -19.357 -1.120 1.00 64.20 C ATOM 0 H PHE A 37 -9.973 -18.081 4.224 1.00 14.12 H new ATOM 0 HA PHE A 37 -7.293 -17.222 3.086 1.00 42.02 H new ATOM 0 HB2 PHE A 37 -10.235 -16.667 2.406 1.00 15.13 H new ATOM 0 HB3 PHE A 37 -8.945 -15.626 1.837 1.00 15.13 H new ATOM 0 HD1 PHE A 37 -10.396 -19.023 1.636 1.00 13.33 H new ATOM 0 HD2 PHE A 37 -7.370 -16.374 0.128 1.00 54.03 H new ATOM 0 HE1 PHE A 37 -9.967 -20.584 -0.244 1.00 24.41 H new ATOM 0 HE2 PHE A 37 -6.945 -17.929 -1.754 1.00 33.15 H new ATOM 0 HZ PHE A 37 -8.238 -20.036 -1.939 1.00 64.20 H new ATOM 616 N SER A 38 -7.256 -15.690 5.069 1.00 72.10 N ATOM 617 CA SER A 38 -7.214 -14.606 6.090 1.00 21.35 C ATOM 618 C SER A 38 -6.262 -13.494 5.648 1.00 3.24 C ATOM 619 O SER A 38 -6.186 -12.447 6.258 1.00 64.03 O ATOM 620 CB SER A 38 -6.694 -15.276 7.359 1.00 43.41 C ATOM 621 OG SER A 38 -5.921 -14.342 8.102 1.00 1.43 O ATOM 0 H SER A 38 -6.392 -16.222 4.964 1.00 72.10 H new ATOM 0 HA SER A 38 -8.191 -14.147 6.239 1.00 21.35 H new ATOM 0 HB2 SER A 38 -7.528 -15.636 7.962 1.00 43.41 H new ATOM 0 HB3 SER A 38 -6.088 -16.145 7.103 1.00 43.41 H new ATOM 0 HG SER A 38 -5.587 -14.770 8.918 1.00 1.43 H new ATOM 627 N ARG A 39 -5.523 -13.723 4.601 1.00 1.50 N ATOM 628 CA ARG A 39 -4.561 -12.691 4.131 1.00 53.25 C ATOM 629 C ARG A 39 -5.178 -11.846 3.012 1.00 72.45 C ATOM 630 O ARG A 39 -4.709 -10.767 2.710 1.00 73.53 O ATOM 631 CB ARG A 39 -3.364 -13.488 3.612 1.00 71.12 C ATOM 632 CG ARG A 39 -2.075 -12.702 3.867 1.00 70.21 C ATOM 633 CD ARG A 39 -2.134 -11.361 3.131 1.00 11.34 C ATOM 634 NE ARG A 39 -0.751 -10.815 3.217 1.00 14.40 N ATOM 635 CZ ARG A 39 -0.395 -10.092 4.244 1.00 35.32 C ATOM 636 NH1 ARG A 39 -1.226 -9.214 4.738 1.00 33.14 N ATOM 637 NH2 ARG A 39 0.787 -10.244 4.775 1.00 40.45 N ATOM 0 H ARG A 39 -5.544 -14.581 4.050 1.00 1.50 H new ATOM 0 HA ARG A 39 -4.281 -11.995 4.922 1.00 53.25 H new ATOM 0 HB2 ARG A 39 -3.316 -14.457 4.109 1.00 71.12 H new ATOM 0 HB3 ARG A 39 -3.478 -13.683 2.546 1.00 71.12 H new ATOM 0 HG2 ARG A 39 -1.945 -12.535 4.936 1.00 70.21 H new ATOM 0 HG3 ARG A 39 -1.214 -13.277 3.527 1.00 70.21 H new ATOM 0 HD2 ARG A 39 -2.443 -11.493 2.094 1.00 11.34 H new ATOM 0 HD3 ARG A 39 -2.854 -10.687 3.595 1.00 11.34 H new ATOM 0 HE ARG A 39 -0.081 -11.006 2.472 1.00 14.40 H new ATOM 0 HH11 ARG A 39 -2.149 -9.095 4.321 1.00 33.14 H new ATOM 0 HH12 ARG A 39 -0.952 -8.647 5.540 1.00 33.14 H new ATOM 0 HH21 ARG A 39 1.436 -10.929 4.388 1.00 40.45 H new ATOM 0 HH22 ARG A 39 1.062 -9.678 5.577 1.00 40.45 H new ATOM 651 N VAL A 40 -6.226 -12.320 2.397 1.00 53.34 N ATOM 652 CA VAL A 40 -6.860 -11.532 1.304 1.00 55.53 C ATOM 653 C VAL A 40 -7.447 -10.237 1.872 1.00 61.15 C ATOM 654 O VAL A 40 -8.100 -10.247 2.897 1.00 53.50 O ATOM 655 CB VAL A 40 -7.967 -12.430 0.753 1.00 12.33 C ATOM 656 CG1 VAL A 40 -8.984 -12.724 1.857 1.00 55.12 C ATOM 657 CG2 VAL A 40 -8.666 -11.722 -0.410 1.00 3.05 C ATOM 0 H VAL A 40 -6.669 -13.215 2.603 1.00 53.34 H new ATOM 0 HA VAL A 40 -6.149 -11.249 0.528 1.00 55.53 H new ATOM 0 HB VAL A 40 -7.534 -13.366 0.401 1.00 12.33 H new ATOM 0 HG11 VAL A 40 -9.773 -13.364 1.463 1.00 55.12 H new ATOM 0 HG12 VAL A 40 -8.486 -13.229 2.685 1.00 55.12 H new ATOM 0 HG13 VAL A 40 -9.418 -11.789 2.210 1.00 55.12 H new ATOM 0 HG21 VAL A 40 -9.456 -12.362 -0.804 1.00 3.05 H new ATOM 0 HG22 VAL A 40 -9.099 -10.786 -0.058 1.00 3.05 H new ATOM 0 HG23 VAL A 40 -7.942 -11.514 -1.197 1.00 3.05 H new ATOM 667 N PRO A 41 -7.189 -9.162 1.182 1.00 50.05 N ATOM 668 CA PRO A 41 -7.690 -7.831 1.616 1.00 15.20 C ATOM 669 C PRO A 41 -9.210 -7.748 1.450 1.00 1.50 C ATOM 670 O PRO A 41 -9.760 -8.170 0.454 1.00 13.30 O ATOM 671 CB PRO A 41 -6.982 -6.861 0.672 1.00 0.02 C ATOM 672 CG PRO A 41 -6.656 -7.675 -0.539 1.00 41.21 C ATOM 673 CD PRO A 41 -6.417 -9.082 -0.058 1.00 14.12 C ATOM 0 HA PRO A 41 -7.492 -7.619 2.667 1.00 15.20 H new ATOM 0 HB2 PRO A 41 -7.623 -6.016 0.420 1.00 0.02 H new ATOM 0 HB3 PRO A 41 -6.080 -6.452 1.128 1.00 0.02 H new ATOM 0 HG2 PRO A 41 -7.474 -7.645 -1.258 1.00 41.21 H new ATOM 0 HG3 PRO A 41 -5.773 -7.283 -1.044 1.00 41.21 H new ATOM 0 HD2 PRO A 41 -6.755 -9.817 -0.788 1.00 14.12 H new ATOM 0 HD3 PRO A 41 -5.358 -9.271 0.117 1.00 14.12 H new ATOM 681 N GLU A 42 -9.892 -7.203 2.421 1.00 0.21 N ATOM 682 CA GLU A 42 -11.374 -7.092 2.315 1.00 72.53 C ATOM 683 C GLU A 42 -11.754 -6.262 1.086 1.00 64.33 C ATOM 684 O GLU A 42 -12.888 -6.269 0.649 1.00 42.11 O ATOM 685 CB GLU A 42 -11.812 -6.386 3.599 1.00 54.41 C ATOM 686 CG GLU A 42 -12.972 -7.155 4.235 1.00 20.15 C ATOM 687 CD GLU A 42 -13.336 -6.513 5.576 1.00 1.12 C ATOM 688 OE1 GLU A 42 -12.747 -6.897 6.574 1.00 15.12 O ATOM 689 OE2 GLU A 42 -14.197 -5.649 5.582 1.00 51.42 O ATOM 0 H GLU A 42 -9.488 -6.831 3.280 1.00 0.21 H new ATOM 0 HA GLU A 42 -11.855 -8.064 2.202 1.00 72.53 H new ATOM 0 HB2 GLU A 42 -10.976 -6.325 4.296 1.00 54.41 H new ATOM 0 HB3 GLU A 42 -12.118 -5.363 3.378 1.00 54.41 H new ATOM 0 HG2 GLU A 42 -13.835 -7.147 3.570 1.00 20.15 H new ATOM 0 HG3 GLU A 42 -12.693 -8.198 4.383 1.00 20.15 H new ATOM 696 N GLU A 43 -10.814 -5.553 0.524 1.00 53.25 N ATOM 697 CA GLU A 43 -11.123 -4.733 -0.682 1.00 72.35 C ATOM 698 C GLU A 43 -11.352 -5.651 -1.884 1.00 11.51 C ATOM 699 O GLU A 43 -12.235 -5.430 -2.690 1.00 42.44 O ATOM 700 CB GLU A 43 -9.886 -3.857 -0.898 1.00 54.23 C ATOM 701 CG GLU A 43 -9.698 -2.935 0.306 1.00 20.30 C ATOM 702 CD GLU A 43 -9.223 -1.561 -0.173 1.00 52.34 C ATOM 703 OE1 GLU A 43 -8.439 -1.520 -1.108 1.00 4.22 O ATOM 704 OE2 GLU A 43 -9.649 -0.574 0.404 1.00 53.42 O ATOM 0 H GLU A 43 -9.847 -5.506 0.847 1.00 53.25 H new ATOM 0 HA GLU A 43 -12.024 -4.131 -0.559 1.00 72.35 H new ATOM 0 HB2 GLU A 43 -9.003 -4.482 -1.032 1.00 54.23 H new ATOM 0 HB3 GLU A 43 -9.999 -3.267 -1.807 1.00 54.23 H new ATOM 0 HG2 GLU A 43 -10.636 -2.837 0.853 1.00 20.30 H new ATOM 0 HG3 GLU A 43 -8.970 -3.363 0.995 1.00 20.30 H new ATOM 711 N LEU A 44 -10.569 -6.688 -2.000 1.00 43.10 N ATOM 712 CA LEU A 44 -10.745 -7.633 -3.138 1.00 1.41 C ATOM 713 C LEU A 44 -11.797 -8.681 -2.773 1.00 61.25 C ATOM 714 O LEU A 44 -12.726 -8.930 -3.513 1.00 34.21 O ATOM 715 CB LEU A 44 -9.379 -8.288 -3.328 1.00 40.35 C ATOM 716 CG LEU A 44 -9.005 -8.276 -4.812 1.00 43.32 C ATOM 717 CD1 LEU A 44 -7.612 -8.884 -4.993 1.00 1.14 C ATOM 718 CD2 LEU A 44 -10.029 -9.098 -5.603 1.00 32.32 C ATOM 0 H LEU A 44 -9.814 -6.922 -1.355 1.00 43.10 H new ATOM 0 HA LEU A 44 -11.082 -7.136 -4.048 1.00 1.41 H new ATOM 0 HB2 LEU A 44 -8.625 -7.755 -2.748 1.00 40.35 H new ATOM 0 HB3 LEU A 44 -9.401 -9.313 -2.957 1.00 40.35 H new ATOM 0 HG LEU A 44 -9.003 -7.249 -5.178 1.00 43.32 H new ATOM 0 HD11 LEU A 44 -7.346 -8.875 -6.050 1.00 1.14 H new ATOM 0 HD12 LEU A 44 -6.884 -8.299 -4.431 1.00 1.14 H new ATOM 0 HD13 LEU A 44 -7.613 -9.911 -4.627 1.00 1.14 H new ATOM 0 HD21 LEU A 44 -9.763 -9.090 -6.660 1.00 32.32 H new ATOM 0 HD22 LEU A 44 -10.032 -10.125 -5.237 1.00 32.32 H new ATOM 0 HD23 LEU A 44 -11.021 -8.664 -5.475 1.00 32.32 H new ATOM 730 N MET A 45 -11.661 -9.286 -1.625 1.00 42.32 N ATOM 731 CA MET A 45 -12.660 -10.307 -1.204 1.00 13.03 C ATOM 732 C MET A 45 -14.057 -9.684 -1.198 1.00 10.34 C ATOM 733 O MET A 45 -15.050 -10.359 -1.380 1.00 0.34 O ATOM 734 CB MET A 45 -12.245 -10.709 0.211 1.00 61.50 C ATOM 735 CG MET A 45 -13.251 -11.720 0.768 1.00 43.33 C ATOM 736 SD MET A 45 -12.435 -12.766 1.997 1.00 1.15 S ATOM 737 CE MET A 45 -11.590 -13.867 0.837 1.00 52.02 C ATOM 0 H MET A 45 -10.904 -9.118 -0.963 1.00 42.32 H new ATOM 0 HA MET A 45 -12.690 -11.166 -1.874 1.00 13.03 H new ATOM 0 HB2 MET A 45 -11.245 -11.143 0.199 1.00 61.50 H new ATOM 0 HB3 MET A 45 -12.203 -9.829 0.853 1.00 61.50 H new ATOM 0 HG2 MET A 45 -14.094 -11.199 1.221 1.00 43.33 H new ATOM 0 HG3 MET A 45 -13.652 -12.333 -0.039 1.00 43.33 H new ATOM 0 HE1 MET A 45 -10.866 -14.478 1.377 1.00 52.02 H new ATOM 0 HE2 MET A 45 -12.321 -14.514 0.351 1.00 52.02 H new ATOM 0 HE3 MET A 45 -11.073 -13.274 0.083 1.00 52.02 H new ATOM 747 N LYS A 46 -14.135 -8.396 -0.998 1.00 51.51 N ATOM 748 CA LYS A 46 -15.465 -7.721 -0.984 1.00 2.52 C ATOM 749 C LYS A 46 -16.332 -8.260 -2.124 1.00 0.11 C ATOM 750 O LYS A 46 -17.509 -8.513 -1.957 1.00 34.11 O ATOM 751 CB LYS A 46 -15.155 -6.239 -1.196 1.00 44.30 C ATOM 752 CG LYS A 46 -16.441 -5.487 -1.550 1.00 72.22 C ATOM 753 CD LYS A 46 -16.087 -4.092 -2.067 1.00 64.13 C ATOM 754 CE LYS A 46 -16.052 -3.105 -0.896 1.00 11.44 C ATOM 755 NZ LYS A 46 -17.081 -2.080 -1.226 1.00 61.45 N ATOM 0 H LYS A 46 -13.335 -7.782 -0.844 1.00 51.51 H new ATOM 0 HA LYS A 46 -16.013 -7.892 -0.057 1.00 2.52 H new ATOM 0 HB2 LYS A 46 -14.713 -5.818 -0.293 1.00 44.30 H new ATOM 0 HB3 LYS A 46 -14.422 -6.122 -1.994 1.00 44.30 H new ATOM 0 HG2 LYS A 46 -17.000 -6.037 -2.307 1.00 72.22 H new ATOM 0 HG3 LYS A 46 -17.083 -5.410 -0.673 1.00 72.22 H new ATOM 0 HD2 LYS A 46 -15.119 -4.113 -2.567 1.00 64.13 H new ATOM 0 HD3 LYS A 46 -16.821 -3.770 -2.806 1.00 64.13 H new ATOM 0 HE2 LYS A 46 -16.279 -3.603 0.047 1.00 11.44 H new ATOM 0 HE3 LYS A 46 -15.065 -2.654 -0.789 1.00 11.44 H new ATOM 0 HZ1 LYS A 46 -17.117 -1.368 -0.469 1.00 61.45 H new ATOM 0 HZ2 LYS A 46 -16.835 -1.618 -2.125 1.00 61.45 H new ATOM 0 HZ3 LYS A 46 -18.011 -2.537 -1.315 1.00 61.45 H new ATOM 769 N GLY A 47 -15.756 -8.444 -3.280 1.00 0.20 N ATOM 770 CA GLY A 47 -16.546 -8.975 -4.427 1.00 20.31 C ATOM 771 C GLY A 47 -16.641 -10.495 -4.311 1.00 4.33 C ATOM 772 O GLY A 47 -17.642 -11.093 -4.655 1.00 53.21 O ATOM 0 H GLY A 47 -14.775 -8.250 -3.480 1.00 0.20 H new ATOM 0 HA2 GLY A 47 -17.544 -8.536 -4.431 1.00 20.31 H new ATOM 0 HA3 GLY A 47 -16.072 -8.699 -5.369 1.00 20.31 H new ATOM 776 N PHE A 48 -15.606 -11.123 -3.825 1.00 41.40 N ATOM 777 CA PHE A 48 -15.634 -12.606 -3.679 1.00 63.33 C ATOM 778 C PHE A 48 -16.632 -13.006 -2.588 1.00 1.04 C ATOM 779 O PHE A 48 -17.338 -13.988 -2.707 1.00 33.41 O ATOM 780 CB PHE A 48 -14.209 -12.987 -3.273 1.00 63.25 C ATOM 781 CG PHE A 48 -13.808 -14.261 -3.977 1.00 72.44 C ATOM 782 CD1 PHE A 48 -14.743 -15.287 -4.145 1.00 2.52 C ATOM 783 CD2 PHE A 48 -12.503 -14.416 -4.460 1.00 51.50 C ATOM 784 CE1 PHE A 48 -14.374 -16.469 -4.799 1.00 51.44 C ATOM 785 CE2 PHE A 48 -12.133 -15.597 -5.114 1.00 23.42 C ATOM 786 CZ PHE A 48 -13.069 -16.622 -5.284 1.00 51.45 C ATOM 0 H PHE A 48 -14.742 -10.673 -3.523 1.00 41.40 H new ATOM 0 HA PHE A 48 -15.945 -13.110 -4.594 1.00 63.33 H new ATOM 0 HB2 PHE A 48 -13.519 -12.184 -3.531 1.00 63.25 H new ATOM 0 HB3 PHE A 48 -14.151 -13.122 -2.193 1.00 63.25 H new ATOM 0 HD1 PHE A 48 -15.749 -15.168 -3.771 1.00 2.52 H new ATOM 0 HD2 PHE A 48 -11.781 -13.624 -4.328 1.00 51.50 H new ATOM 0 HE1 PHE A 48 -15.095 -17.262 -4.929 1.00 51.44 H new ATOM 0 HE2 PHE A 48 -11.126 -15.716 -5.487 1.00 23.42 H new ATOM 0 HZ PHE A 48 -12.785 -17.533 -5.790 1.00 51.45 H new ATOM 796 N GLY A 49 -16.689 -12.251 -1.527 1.00 43.30 N ATOM 797 CA GLY A 49 -17.637 -12.578 -0.425 1.00 20.25 C ATOM 798 C GLY A 49 -17.378 -14.005 0.050 1.00 41.43 C ATOM 799 O GLY A 49 -16.529 -14.251 0.884 1.00 12.50 O ATOM 0 H GLY A 49 -16.119 -11.419 -1.375 1.00 43.30 H new ATOM 0 HA2 GLY A 49 -17.510 -11.878 0.401 1.00 20.25 H new ATOM 0 HA3 GLY A 49 -18.666 -12.478 -0.772 1.00 20.25 H new ATOM 803 N GLN A 50 -18.097 -14.952 -0.481 1.00 11.31 N ATOM 804 CA GLN A 50 -17.883 -16.365 -0.067 1.00 4.43 C ATOM 805 C GLN A 50 -17.305 -17.163 -1.237 1.00 1.25 C ATOM 806 O GLN A 50 -17.960 -17.356 -2.242 1.00 72.41 O ATOM 807 CB GLN A 50 -19.272 -16.885 0.307 1.00 71.12 C ATOM 808 CG GLN A 50 -19.346 -17.100 1.820 1.00 73.12 C ATOM 809 CD GLN A 50 -19.480 -15.748 2.524 1.00 12.11 C ATOM 810 OE1 GLN A 50 -18.443 -14.959 2.600 1.00 20.14 O flip ATOM 811 NE2 GLN A 50 -20.539 -15.403 3.011 1.00 65.12 N flip ATOM 0 H GLN A 50 -18.823 -14.809 -1.183 1.00 11.31 H new ATOM 0 HA GLN A 50 -17.182 -16.456 0.763 1.00 4.43 H new ATOM 0 HB2 GLN A 50 -20.035 -16.173 -0.008 1.00 71.12 H new ATOM 0 HB3 GLN A 50 -19.474 -17.821 -0.214 1.00 71.12 H new ATOM 0 HG2 GLN A 50 -20.197 -17.736 2.066 1.00 73.12 H new ATOM 0 HG3 GLN A 50 -18.451 -17.616 2.168 1.00 73.12 H new ATOM 0 HE21 GLN A 50 -21.351 -16.017 2.953 1.00 65.12 H new ATOM 0 HE22 GLN A 50 -20.615 -14.499 3.477 1.00 65.12 H new ATOM 820 N PRO A 51 -16.084 -17.597 -1.071 1.00 63.12 N ATOM 821 CA PRO A 51 -15.403 -18.374 -2.135 1.00 63.31 C ATOM 822 C PRO A 51 -16.002 -19.778 -2.245 1.00 32.12 C ATOM 823 O PRO A 51 -16.711 -20.234 -1.369 1.00 20.33 O ATOM 824 CB PRO A 51 -13.954 -18.436 -1.657 1.00 54.35 C ATOM 825 CG PRO A 51 -14.027 -18.268 -0.175 1.00 31.15 C ATOM 826 CD PRO A 51 -15.232 -17.409 0.109 1.00 33.43 C ATOM 0 HA PRO A 51 -15.504 -17.926 -3.124 1.00 63.31 H new ATOM 0 HB2 PRO A 51 -13.491 -19.386 -1.924 1.00 54.35 H new ATOM 0 HB3 PRO A 51 -13.354 -17.649 -2.114 1.00 54.35 H new ATOM 0 HG2 PRO A 51 -14.117 -19.235 0.319 1.00 31.15 H new ATOM 0 HG3 PRO A 51 -13.120 -17.799 0.206 1.00 31.15 H new ATOM 0 HD2 PRO A 51 -15.739 -17.721 1.022 1.00 33.43 H new ATOM 0 HD3 PRO A 51 -14.955 -16.363 0.240 1.00 33.43 H new ATOM 834 N GLN A 52 -15.719 -20.467 -3.318 1.00 54.32 N ATOM 835 CA GLN A 52 -16.267 -21.843 -3.488 1.00 74.31 C ATOM 836 C GLN A 52 -15.185 -22.770 -4.049 1.00 3.02 C ATOM 837 O GLN A 52 -14.218 -22.324 -4.636 1.00 20.35 O ATOM 838 CB GLN A 52 -17.417 -21.694 -4.483 1.00 73.34 C ATOM 839 CG GLN A 52 -18.270 -20.484 -4.103 1.00 72.04 C ATOM 840 CD GLN A 52 -18.946 -20.738 -2.753 1.00 1.40 C ATOM 841 OE1 GLN A 52 -19.245 -21.867 -2.414 1.00 40.50 O ATOM 842 NE2 GLN A 52 -19.201 -19.732 -1.965 1.00 74.44 N ATOM 0 H GLN A 52 -15.132 -20.136 -4.084 1.00 54.32 H new ATOM 0 HA GLN A 52 -16.602 -22.276 -2.546 1.00 74.31 H new ATOM 0 HB2 GLN A 52 -17.024 -21.572 -5.493 1.00 73.34 H new ATOM 0 HB3 GLN A 52 -18.028 -22.596 -4.485 1.00 73.34 H new ATOM 0 HG2 GLN A 52 -17.648 -19.591 -4.048 1.00 72.04 H new ATOM 0 HG3 GLN A 52 -19.023 -20.301 -4.870 1.00 72.04 H new ATOM 0 HE21 GLN A 52 -18.950 -18.785 -2.249 1.00 74.44 H new ATOM 0 HE22 GLN A 52 -19.651 -19.891 -1.064 1.00 74.44 H new ATOM 851 N LEU A 53 -15.334 -24.053 -3.870 1.00 33.23 N ATOM 852 CA LEU A 53 -14.307 -25.001 -4.392 1.00 5.32 C ATOM 853 C LEU A 53 -14.641 -25.411 -5.829 1.00 1.53 C ATOM 854 O LEU A 53 -15.460 -26.276 -6.063 1.00 15.21 O ATOM 855 CB LEU A 53 -14.376 -26.211 -3.459 1.00 51.01 C ATOM 856 CG LEU A 53 -13.057 -26.982 -3.532 1.00 13.41 C ATOM 857 CD1 LEU A 53 -12.744 -27.316 -4.990 1.00 62.44 C ATOM 858 CD2 LEU A 53 -11.931 -26.119 -2.954 1.00 2.31 C ATOM 0 H LEU A 53 -16.120 -24.487 -3.386 1.00 33.23 H new ATOM 0 HA LEU A 53 -13.311 -24.558 -4.414 1.00 5.32 H new ATOM 0 HB2 LEU A 53 -14.564 -25.885 -2.436 1.00 51.01 H new ATOM 0 HB3 LEU A 53 -15.205 -26.858 -3.745 1.00 51.01 H new ATOM 0 HG LEU A 53 -13.141 -27.904 -2.957 1.00 13.41 H new ATOM 0 HD11 LEU A 53 -11.804 -27.866 -5.044 1.00 62.44 H new ATOM 0 HD12 LEU A 53 -13.546 -27.927 -5.403 1.00 62.44 H new ATOM 0 HD13 LEU A 53 -12.658 -26.394 -5.564 1.00 62.44 H new ATOM 0 HD21 LEU A 53 -10.990 -26.667 -3.005 1.00 2.31 H new ATOM 0 HD22 LEU A 53 -11.846 -25.198 -3.530 1.00 2.31 H new ATOM 0 HD23 LEU A 53 -12.154 -25.878 -1.915 1.00 2.31 H new ATOM 870 N ALA A 54 -14.006 -24.803 -6.793 1.00 63.12 N ATOM 871 CA ALA A 54 -14.286 -25.164 -8.213 1.00 31.51 C ATOM 872 C ALA A 54 -13.435 -26.368 -8.626 1.00 32.45 C ATOM 873 O ALA A 54 -13.945 -27.410 -8.981 1.00 3.04 O ATOM 874 CB ALA A 54 -13.891 -23.929 -9.025 1.00 71.34 C ATOM 0 H ALA A 54 -13.306 -24.073 -6.660 1.00 63.12 H new ATOM 0 HA ALA A 54 -15.329 -25.438 -8.371 1.00 31.51 H new ATOM 0 HB1 ALA A 54 -14.069 -24.118 -10.084 1.00 71.34 H new ATOM 0 HB2 ALA A 54 -14.488 -23.076 -8.703 1.00 71.34 H new ATOM 0 HB3 ALA A 54 -12.834 -23.713 -8.867 1.00 71.34 H new ATOM 880 N MET A 55 -12.139 -26.229 -8.574 1.00 0.30 N ATOM 881 CA MET A 55 -11.252 -27.363 -8.957 1.00 62.13 C ATOM 882 C MET A 55 -10.031 -27.411 -8.035 1.00 20.32 C ATOM 883 O MET A 55 -9.576 -26.397 -7.542 1.00 52.51 O ATOM 884 CB MET A 55 -10.828 -27.068 -10.397 1.00 34.31 C ATOM 885 CG MET A 55 -12.002 -27.340 -11.342 1.00 52.40 C ATOM 886 SD MET A 55 -12.591 -25.778 -12.039 1.00 1.02 S ATOM 887 CE MET A 55 -12.090 -26.086 -13.751 1.00 21.14 C ATOM 0 H MET A 55 -11.656 -25.379 -8.283 1.00 0.30 H new ATOM 0 HA MET A 55 -11.753 -28.327 -8.871 1.00 62.13 H new ATOM 0 HB2 MET A 55 -10.508 -26.030 -10.487 1.00 34.31 H new ATOM 0 HB3 MET A 55 -9.976 -27.690 -10.671 1.00 34.31 H new ATOM 0 HG2 MET A 55 -11.691 -28.013 -12.141 1.00 52.40 H new ATOM 0 HG3 MET A 55 -12.809 -27.837 -10.803 1.00 52.40 H new ATOM 0 HE1 MET A 55 -12.363 -25.231 -14.369 1.00 21.14 H new ATOM 0 HE2 MET A 55 -11.011 -26.235 -13.793 1.00 21.14 H new ATOM 0 HE3 MET A 55 -12.594 -26.978 -14.123 1.00 21.14 H new ATOM 897 N ILE A 56 -9.496 -28.577 -7.801 1.00 33.24 N ATOM 898 CA ILE A 56 -8.305 -28.682 -6.911 1.00 15.34 C ATOM 899 C ILE A 56 -7.065 -29.057 -7.729 1.00 43.04 C ATOM 900 O ILE A 56 -7.060 -30.032 -8.452 1.00 23.33 O ATOM 901 CB ILE A 56 -8.644 -29.794 -5.921 1.00 14.23 C ATOM 902 CG1 ILE A 56 -9.832 -29.363 -5.058 1.00 32.32 C ATOM 903 CG2 ILE A 56 -7.433 -30.064 -5.027 1.00 72.22 C ATOM 904 CD1 ILE A 56 -10.843 -30.509 -4.974 1.00 42.12 C ATOM 0 H ILE A 56 -9.831 -29.460 -8.186 1.00 33.24 H new ATOM 0 HA ILE A 56 -8.084 -27.741 -6.408 1.00 15.34 H new ATOM 0 HB ILE A 56 -8.903 -30.702 -6.466 1.00 14.23 H new ATOM 0 HG12 ILE A 56 -9.490 -29.091 -4.059 1.00 32.32 H new ATOM 0 HG13 ILE A 56 -10.304 -28.478 -5.485 1.00 32.32 H new ATOM 0 HG21 ILE A 56 -7.673 -30.858 -4.319 1.00 72.22 H new ATOM 0 HG22 ILE A 56 -6.587 -30.370 -5.643 1.00 72.22 H new ATOM 0 HG23 ILE A 56 -7.174 -29.157 -4.481 1.00 72.22 H new ATOM 0 HD11 ILE A 56 -11.690 -30.203 -4.359 1.00 42.12 H new ATOM 0 HD12 ILE A 56 -11.193 -30.759 -5.975 1.00 42.12 H new ATOM 0 HD13 ILE A 56 -10.367 -31.382 -4.527 1.00 42.12 H new ATOM 916 N LEU A 57 -6.014 -28.291 -7.617 1.00 63.44 N ATOM 917 CA LEU A 57 -4.779 -28.607 -8.388 1.00 62.11 C ATOM 918 C LEU A 57 -3.845 -29.486 -7.549 1.00 12.13 C ATOM 919 O LEU A 57 -3.397 -29.082 -6.495 1.00 45.41 O ATOM 920 CB LEU A 57 -4.127 -27.252 -8.666 1.00 71.11 C ATOM 921 CG LEU A 57 -2.790 -27.469 -9.380 1.00 64.21 C ATOM 922 CD1 LEU A 57 -2.785 -26.693 -10.699 1.00 41.11 C ATOM 923 CD2 LEU A 57 -1.651 -26.969 -8.490 1.00 45.33 C ATOM 0 H LEU A 57 -5.958 -27.462 -7.026 1.00 63.44 H new ATOM 0 HA LEU A 57 -4.994 -29.153 -9.307 1.00 62.11 H new ATOM 0 HB2 LEU A 57 -4.785 -26.639 -9.281 1.00 71.11 H new ATOM 0 HB3 LEU A 57 -3.970 -26.713 -7.732 1.00 71.11 H new ATOM 0 HG LEU A 57 -2.654 -28.531 -9.583 1.00 64.21 H new ATOM 0 HD11 LEU A 57 -1.834 -26.847 -11.208 1.00 41.11 H new ATOM 0 HD12 LEU A 57 -3.597 -27.048 -11.333 1.00 41.11 H new ATOM 0 HD13 LEU A 57 -2.921 -25.631 -10.497 1.00 41.11 H new ATOM 0 HD21 LEU A 57 -0.699 -27.123 -8.997 1.00 45.33 H new ATOM 0 HD22 LEU A 57 -1.787 -25.907 -8.288 1.00 45.33 H new ATOM 0 HD23 LEU A 57 -1.655 -27.521 -7.550 1.00 45.33 H new ATOM 935 N PRO A 58 -3.583 -30.662 -8.051 1.00 51.00 N ATOM 936 CA PRO A 58 -2.688 -31.610 -7.346 1.00 34.31 C ATOM 937 C PRO A 58 -1.227 -31.188 -7.514 1.00 63.34 C ATOM 938 O PRO A 58 -0.930 -30.158 -8.085 1.00 65.32 O ATOM 939 CB PRO A 58 -2.944 -32.935 -8.056 1.00 15.21 C ATOM 940 CG PRO A 58 -3.427 -32.562 -9.421 1.00 71.35 C ATOM 941 CD PRO A 58 -4.091 -31.213 -9.310 1.00 3.11 C ATOM 0 HA PRO A 58 -2.875 -31.657 -6.273 1.00 34.31 H new ATOM 0 HB2 PRO A 58 -2.035 -33.535 -8.110 1.00 15.21 H new ATOM 0 HB3 PRO A 58 -3.687 -33.529 -7.524 1.00 15.21 H new ATOM 0 HG2 PRO A 58 -2.596 -32.524 -10.125 1.00 71.35 H new ATOM 0 HG3 PRO A 58 -4.129 -33.306 -9.796 1.00 71.35 H new ATOM 0 HD2 PRO A 58 -3.837 -30.574 -10.155 1.00 3.11 H new ATOM 0 HD3 PRO A 58 -5.177 -31.304 -9.295 1.00 3.11 H new ATOM 949 N LEU A 59 -0.312 -31.980 -7.030 1.00 65.43 N ATOM 950 CA LEU A 59 1.129 -31.627 -7.175 1.00 3.41 C ATOM 951 C LEU A 59 1.827 -32.650 -8.068 1.00 54.35 C ATOM 952 O LEU A 59 2.877 -33.168 -7.741 1.00 54.31 O ATOM 953 CB LEU A 59 1.701 -31.691 -5.764 1.00 4.33 C ATOM 954 CG LEU A 59 1.592 -33.121 -5.230 1.00 53.24 C ATOM 955 CD1 LEU A 59 2.788 -33.418 -4.325 1.00 72.44 C ATOM 956 CD2 LEU A 59 0.297 -33.265 -4.429 1.00 53.43 C ATOM 0 H LEU A 59 -0.498 -32.855 -6.541 1.00 65.43 H new ATOM 0 HA LEU A 59 1.268 -30.646 -7.628 1.00 3.41 H new ATOM 0 HB2 LEU A 59 2.743 -31.372 -5.769 1.00 4.33 H new ATOM 0 HB3 LEU A 59 1.161 -31.006 -5.110 1.00 4.33 H new ATOM 0 HG LEU A 59 1.585 -33.823 -6.064 1.00 53.24 H new ATOM 0 HD11 LEU A 59 2.712 -34.436 -3.944 1.00 72.44 H new ATOM 0 HD12 LEU A 59 3.711 -33.312 -4.895 1.00 72.44 H new ATOM 0 HD13 LEU A 59 2.795 -32.718 -3.490 1.00 72.44 H new ATOM 0 HD21 LEU A 59 0.217 -34.283 -4.047 1.00 53.43 H new ATOM 0 HD22 LEU A 59 0.306 -32.564 -3.594 1.00 53.43 H new ATOM 0 HD23 LEU A 59 -0.555 -33.051 -5.074 1.00 53.43 H new ATOM 968 N ASP A 60 1.251 -32.943 -9.193 1.00 4.20 N ATOM 969 CA ASP A 60 1.866 -33.932 -10.122 1.00 51.20 C ATOM 970 C ASP A 60 2.014 -33.328 -11.521 1.00 41.24 C ATOM 971 O ASP A 60 3.096 -33.256 -12.067 1.00 24.33 O ATOM 972 CB ASP A 60 0.893 -35.112 -10.147 1.00 40.04 C ATOM 973 CG ASP A 60 1.652 -36.395 -10.491 1.00 22.45 C ATOM 974 OD1 ASP A 60 2.853 -36.315 -10.683 1.00 33.13 O ATOM 975 OD2 ASP A 60 1.018 -37.434 -10.557 1.00 14.02 O ATOM 0 H ASP A 60 0.372 -32.538 -9.516 1.00 4.20 H new ATOM 0 HA ASP A 60 2.863 -34.233 -9.801 1.00 51.20 H new ATOM 0 HB2 ASP A 60 0.405 -35.215 -9.178 1.00 40.04 H new ATOM 0 HB3 ASP A 60 0.108 -34.934 -10.882 1.00 40.04 H new ATOM 980 N GLY A 61 0.926 -32.898 -12.103 1.00 23.51 N ATOM 981 CA GLY A 61 0.997 -32.304 -13.467 1.00 51.20 C ATOM 982 C GLY A 61 1.235 -30.798 -13.362 1.00 73.22 C ATOM 983 O GLY A 61 0.360 -30.046 -12.987 1.00 12.41 O ATOM 0 H GLY A 61 -0.007 -32.933 -11.692 1.00 23.51 H new ATOM 0 HA2 GLY A 61 1.802 -32.770 -14.036 1.00 51.20 H new ATOM 0 HA3 GLY A 61 0.071 -32.499 -14.007 1.00 51.20 H new ATOM 987 N ARG A 62 2.416 -30.356 -13.690 1.00 10.44 N ATOM 988 CA ARG A 62 2.714 -28.894 -13.610 1.00 53.14 C ATOM 989 C ARG A 62 2.442 -28.226 -14.961 1.00 63.14 C ATOM 990 O ARG A 62 3.336 -28.033 -15.761 1.00 31.32 O ATOM 991 CB ARG A 62 4.201 -28.814 -13.264 1.00 63.43 C ATOM 992 CG ARG A 62 4.462 -27.554 -12.434 1.00 50.23 C ATOM 993 CD ARG A 62 5.845 -26.995 -12.777 1.00 72.33 C ATOM 994 NE ARG A 62 6.783 -27.691 -11.853 1.00 53.13 N ATOM 995 CZ ARG A 62 7.164 -28.915 -12.104 1.00 64.21 C ATOM 996 NH1 ARG A 62 7.389 -29.290 -13.334 1.00 11.44 N ATOM 997 NH2 ARG A 62 7.318 -29.763 -11.126 1.00 60.53 N ATOM 0 H ARG A 62 3.189 -30.940 -14.010 1.00 10.44 H new ATOM 0 HA ARG A 62 2.094 -28.384 -12.872 1.00 53.14 H new ATOM 0 HB2 ARG A 62 4.504 -29.700 -12.706 1.00 63.43 H new ATOM 0 HB3 ARG A 62 4.797 -28.792 -14.176 1.00 63.43 H new ATOM 0 HG2 ARG A 62 3.695 -26.806 -12.637 1.00 50.23 H new ATOM 0 HG3 ARG A 62 4.406 -27.788 -11.371 1.00 50.23 H new ATOM 0 HD2 ARG A 62 6.101 -27.188 -13.819 1.00 72.33 H new ATOM 0 HD3 ARG A 62 5.880 -25.915 -12.635 1.00 72.33 H new ATOM 0 HE ARG A 62 7.129 -27.211 -11.022 1.00 53.13 H new ATOM 0 HH11 ARG A 62 7.267 -28.627 -14.100 1.00 11.44 H new ATOM 0 HH12 ARG A 62 7.687 -30.246 -13.529 1.00 11.44 H new ATOM 0 HH21 ARG A 62 7.141 -29.471 -10.165 1.00 60.53 H new ATOM 0 HH22 ARG A 62 7.615 -30.719 -11.322 1.00 60.53 H new ATOM 1011 N LYS A 63 1.213 -27.869 -15.221 1.00 34.13 N ATOM 1012 CA LYS A 63 0.885 -27.214 -16.519 1.00 65.21 C ATOM 1013 C LYS A 63 0.225 -25.853 -16.273 1.00 2.03 C ATOM 1014 O LYS A 63 -0.060 -25.486 -15.151 1.00 1.00 O ATOM 1015 CB LYS A 63 -0.091 -28.164 -17.210 1.00 35.11 C ATOM 1016 CG LYS A 63 0.668 -29.035 -18.212 1.00 42.40 C ATOM 1017 CD LYS A 63 0.133 -28.775 -19.621 1.00 75.13 C ATOM 1018 CE LYS A 63 1.245 -29.022 -20.645 1.00 73.30 C ATOM 1019 NZ LYS A 63 1.023 -30.414 -21.128 1.00 53.30 N ATOM 0 H LYS A 63 0.422 -28.003 -14.590 1.00 34.13 H new ATOM 0 HA LYS A 63 1.773 -27.033 -17.124 1.00 65.21 H new ATOM 0 HB2 LYS A 63 -0.589 -28.791 -16.471 1.00 35.11 H new ATOM 0 HB3 LYS A 63 -0.868 -27.596 -17.721 1.00 35.11 H new ATOM 0 HG2 LYS A 63 1.734 -28.812 -18.169 1.00 42.40 H new ATOM 0 HG3 LYS A 63 0.552 -30.088 -17.956 1.00 42.40 H new ATOM 0 HD2 LYS A 63 -0.715 -29.428 -19.825 1.00 75.13 H new ATOM 0 HD3 LYS A 63 -0.228 -27.750 -19.701 1.00 75.13 H new ATOM 0 HE2 LYS A 63 1.192 -28.306 -21.466 1.00 73.30 H new ATOM 0 HE3 LYS A 63 2.230 -28.914 -20.191 1.00 73.30 H new ATOM 0 HZ1 LYS A 63 1.747 -30.656 -21.834 1.00 53.30 H new ATOM 0 HZ2 LYS A 63 1.086 -31.074 -20.327 1.00 53.30 H new ATOM 0 HZ3 LYS A 63 0.080 -30.485 -21.561 1.00 53.30 H new ATOM 1033 N LYS A 64 -0.020 -25.104 -17.313 1.00 52.24 N ATOM 1034 CA LYS A 64 -0.661 -23.768 -17.137 1.00 34.20 C ATOM 1035 C LYS A 64 -2.183 -23.911 -17.084 1.00 40.51 C ATOM 1036 O LYS A 64 -2.760 -24.775 -17.714 1.00 74.13 O ATOM 1037 CB LYS A 64 -0.241 -22.964 -18.367 1.00 13.24 C ATOM 1038 CG LYS A 64 1.281 -23.000 -18.509 1.00 64.32 C ATOM 1039 CD LYS A 64 1.797 -21.590 -18.805 1.00 71.54 C ATOM 1040 CE LYS A 64 2.586 -21.072 -17.602 1.00 52.31 C ATOM 1041 NZ LYS A 64 2.052 -19.704 -17.350 1.00 52.34 N ATOM 0 H LYS A 64 0.195 -25.358 -18.277 1.00 52.24 H new ATOM 0 HA LYS A 64 -0.357 -23.284 -16.209 1.00 34.20 H new ATOM 0 HB2 LYS A 64 -0.709 -23.376 -19.261 1.00 13.24 H new ATOM 0 HB3 LYS A 64 -0.583 -21.933 -18.274 1.00 13.24 H new ATOM 0 HG2 LYS A 64 1.734 -23.380 -17.593 1.00 64.32 H new ATOM 0 HG3 LYS A 64 1.566 -23.680 -19.312 1.00 64.32 H new ATOM 0 HD2 LYS A 64 2.431 -21.602 -19.691 1.00 71.54 H new ATOM 0 HD3 LYS A 64 0.962 -20.923 -19.020 1.00 71.54 H new ATOM 0 HE2 LYS A 64 2.448 -21.716 -16.733 1.00 52.31 H new ATOM 0 HE3 LYS A 64 3.655 -21.046 -17.813 1.00 52.31 H new ATOM 0 HZ1 LYS A 64 2.623 -19.238 -16.617 1.00 52.34 H new ATOM 0 HZ2 LYS A 64 2.095 -19.148 -18.228 1.00 52.34 H new ATOM 0 HZ3 LYS A 64 1.065 -19.770 -17.030 1.00 52.34 H new ATOM 1055 N LEU A 65 -2.839 -23.063 -16.337 1.00 4.34 N ATOM 1056 CA LEU A 65 -4.326 -23.141 -16.244 1.00 12.31 C ATOM 1057 C LEU A 65 -4.969 -22.220 -17.286 1.00 30.35 C ATOM 1058 O LEU A 65 -4.292 -21.496 -17.989 1.00 33.22 O ATOM 1059 CB LEU A 65 -4.660 -22.668 -14.829 1.00 72.50 C ATOM 1060 CG LEU A 65 -4.215 -23.722 -13.817 1.00 53.40 C ATOM 1061 CD1 LEU A 65 -3.482 -23.040 -12.660 1.00 3.24 C ATOM 1062 CD2 LEU A 65 -5.444 -24.458 -13.275 1.00 65.01 C ATOM 0 H LEU A 65 -2.409 -22.319 -15.787 1.00 4.34 H new ATOM 0 HA LEU A 65 -4.701 -24.147 -16.435 1.00 12.31 H new ATOM 0 HB2 LEU A 65 -4.162 -21.720 -14.625 1.00 72.50 H new ATOM 0 HB3 LEU A 65 -5.732 -22.491 -14.737 1.00 72.50 H new ATOM 0 HG LEU A 65 -3.547 -24.434 -14.303 1.00 53.40 H new ATOM 0 HD11 LEU A 65 -3.164 -23.791 -11.937 1.00 3.24 H new ATOM 0 HD12 LEU A 65 -2.608 -22.513 -13.043 1.00 3.24 H new ATOM 0 HD13 LEU A 65 -4.151 -22.329 -12.174 1.00 3.24 H new ATOM 0 HD21 LEU A 65 -5.128 -25.211 -12.553 1.00 65.01 H new ATOM 0 HD22 LEU A 65 -6.110 -23.745 -12.789 1.00 65.01 H new ATOM 0 HD23 LEU A 65 -5.970 -24.943 -14.098 1.00 65.01 H new ATOM 1074 N VAL A 66 -6.269 -22.243 -17.391 1.00 74.11 N ATOM 1075 CA VAL A 66 -6.955 -21.372 -18.389 1.00 41.13 C ATOM 1076 C VAL A 66 -7.281 -20.006 -17.779 1.00 3.12 C ATOM 1077 O VAL A 66 -7.746 -19.111 -18.455 1.00 35.30 O ATOM 1078 CB VAL A 66 -8.242 -22.120 -18.741 1.00 45.10 C ATOM 1079 CG1 VAL A 66 -9.066 -22.340 -17.472 1.00 32.05 C ATOM 1080 CG2 VAL A 66 -9.058 -21.289 -19.736 1.00 72.15 C ATOM 0 H VAL A 66 -6.887 -22.828 -16.829 1.00 74.11 H new ATOM 0 HA VAL A 66 -6.334 -21.183 -19.264 1.00 41.13 H new ATOM 0 HB VAL A 66 -7.992 -23.083 -19.186 1.00 45.10 H new ATOM 0 HG11 VAL A 66 -9.983 -22.873 -17.722 1.00 32.05 H new ATOM 0 HG12 VAL A 66 -8.487 -22.928 -16.760 1.00 32.05 H new ATOM 0 HG13 VAL A 66 -9.316 -21.376 -17.029 1.00 32.05 H new ATOM 0 HG21 VAL A 66 -9.976 -21.821 -19.988 1.00 72.15 H new ATOM 0 HG22 VAL A 66 -9.307 -20.327 -19.288 1.00 72.15 H new ATOM 0 HG23 VAL A 66 -8.473 -21.127 -20.641 1.00 72.15 H new ATOM 1090 N ASN A 67 -7.048 -19.834 -16.506 1.00 51.42 N ATOM 1091 CA ASN A 67 -7.359 -18.523 -15.868 1.00 25.12 C ATOM 1092 C ASN A 67 -6.089 -17.866 -15.321 1.00 52.10 C ATOM 1093 O ASN A 67 -5.675 -16.820 -15.779 1.00 75.11 O ATOM 1094 CB ASN A 67 -8.321 -18.854 -14.727 1.00 11.35 C ATOM 1095 CG ASN A 67 -9.625 -19.410 -15.302 1.00 21.04 C ATOM 1096 OD1 ASN A 67 -10.078 -20.463 -14.902 1.00 21.21 O ATOM 1097 ND2 ASN A 67 -10.253 -18.739 -16.230 1.00 3.03 N ATOM 0 H ASN A 67 -6.658 -20.541 -15.883 1.00 51.42 H new ATOM 0 HA ASN A 67 -7.790 -17.820 -16.581 1.00 25.12 H new ATOM 0 HB2 ASN A 67 -7.868 -19.583 -14.055 1.00 11.35 H new ATOM 0 HB3 ASN A 67 -8.524 -17.960 -14.137 1.00 11.35 H new ATOM 0 HD21 ASN A 67 -11.124 -19.100 -16.619 1.00 3.03 H new ATOM 0 HD22 ASN A 67 -9.872 -17.854 -16.566 1.00 3.03 H new ATOM 1104 N ALA A 68 -5.473 -18.461 -14.334 1.00 24.30 N ATOM 1105 CA ALA A 68 -4.241 -17.852 -13.754 1.00 42.22 C ATOM 1106 C ALA A 68 -3.028 -18.753 -13.968 1.00 41.55 C ATOM 1107 O ALA A 68 -3.150 -19.947 -14.159 1.00 0.23 O ATOM 1108 CB ALA A 68 -4.539 -17.710 -12.264 1.00 52.41 C ATOM 0 H ALA A 68 -5.768 -19.339 -13.906 1.00 24.30 H new ATOM 0 HA ALA A 68 -4.003 -16.898 -14.225 1.00 42.22 H new ATOM 0 HB1 ALA A 68 -3.679 -17.268 -11.761 1.00 52.41 H new ATOM 0 HB2 ALA A 68 -5.409 -17.068 -12.127 1.00 52.41 H new ATOM 0 HB3 ALA A 68 -4.742 -18.693 -11.838 1.00 52.41 H new ATOM 1114 N ASP A 69 -1.854 -18.186 -13.928 1.00 34.40 N ATOM 1115 CA ASP A 69 -0.627 -19.001 -14.120 1.00 74.43 C ATOM 1116 C ASP A 69 -0.149 -19.544 -12.774 1.00 64.03 C ATOM 1117 O ASP A 69 0.318 -18.812 -11.923 1.00 60.22 O ATOM 1118 CB ASP A 69 0.401 -18.030 -14.702 1.00 71.01 C ATOM 1119 CG ASP A 69 -0.216 -17.286 -15.887 1.00 60.34 C ATOM 1120 OD1 ASP A 69 -1.038 -17.875 -16.569 1.00 64.02 O ATOM 1121 OD2 ASP A 69 0.143 -16.137 -16.090 1.00 62.01 O ATOM 0 H ASP A 69 -1.694 -17.191 -13.770 1.00 34.40 H new ATOM 0 HA ASP A 69 -0.792 -19.859 -14.772 1.00 74.43 H new ATOM 0 HB2 ASP A 69 0.720 -17.320 -13.939 1.00 71.01 H new ATOM 0 HB3 ASP A 69 1.290 -18.573 -15.023 1.00 71.01 H new ATOM 1126 N ILE A 70 -0.266 -20.825 -12.573 1.00 34.03 N ATOM 1127 CA ILE A 70 0.177 -21.428 -11.284 1.00 44.13 C ATOM 1128 C ILE A 70 1.555 -20.879 -10.887 1.00 54.30 C ATOM 1129 O ILE A 70 1.902 -20.822 -9.722 1.00 53.35 O ATOM 1130 CB ILE A 70 0.210 -22.946 -11.558 1.00 71.04 C ATOM 1131 CG1 ILE A 70 -0.545 -23.676 -10.444 1.00 70.24 C ATOM 1132 CG2 ILE A 70 1.652 -23.471 -11.618 1.00 62.20 C ATOM 1133 CD1 ILE A 70 0.050 -23.293 -9.088 1.00 43.34 C ATOM 0 H ILE A 70 -0.651 -21.485 -13.249 1.00 34.03 H new ATOM 0 HA ILE A 70 -0.484 -21.192 -10.450 1.00 44.13 H new ATOM 0 HB ILE A 70 -0.263 -23.130 -12.523 1.00 71.04 H new ATOM 0 HG12 ILE A 70 -1.603 -23.415 -10.476 1.00 70.24 H new ATOM 0 HG13 ILE A 70 -0.478 -24.754 -10.591 1.00 70.24 H new ATOM 0 HG21 ILE A 70 1.641 -24.543 -11.812 1.00 62.20 H new ATOM 0 HG22 ILE A 70 2.191 -22.963 -12.417 1.00 62.20 H new ATOM 0 HG23 ILE A 70 2.149 -23.280 -10.667 1.00 62.20 H new ATOM 0 HD11 ILE A 70 -0.488 -23.813 -8.295 1.00 43.34 H new ATOM 0 HD12 ILE A 70 1.102 -23.576 -9.059 1.00 43.34 H new ATOM 0 HD13 ILE A 70 -0.040 -22.217 -8.942 1.00 43.34 H new ATOM 1145 N GLU A 71 2.342 -20.480 -11.849 1.00 43.04 N ATOM 1146 CA GLU A 71 3.699 -19.943 -11.532 1.00 13.42 C ATOM 1147 C GLU A 71 3.592 -18.579 -10.845 1.00 71.04 C ATOM 1148 O GLU A 71 4.340 -18.274 -9.934 1.00 15.10 O ATOM 1149 CB GLU A 71 4.396 -19.806 -12.889 1.00 74.23 C ATOM 1150 CG GLU A 71 4.133 -21.056 -13.732 1.00 25.03 C ATOM 1151 CD GLU A 71 5.449 -21.565 -14.320 1.00 34.30 C ATOM 1152 OE1 GLU A 71 6.285 -20.740 -14.654 1.00 54.12 O ATOM 1153 OE2 GLU A 71 5.601 -22.770 -14.427 1.00 11.44 O ATOM 0 H GLU A 71 2.105 -20.502 -12.841 1.00 43.04 H new ATOM 0 HA GLU A 71 4.248 -20.594 -10.851 1.00 13.42 H new ATOM 0 HB2 GLU A 71 4.030 -18.921 -13.409 1.00 74.23 H new ATOM 0 HB3 GLU A 71 5.468 -19.671 -12.746 1.00 74.23 H new ATOM 0 HG2 GLU A 71 3.674 -21.831 -13.118 1.00 25.03 H new ATOM 0 HG3 GLU A 71 3.430 -20.826 -14.533 1.00 25.03 H new ATOM 1160 N LYS A 72 2.678 -17.756 -11.272 1.00 34.12 N ATOM 1161 CA LYS A 72 2.533 -16.411 -10.642 1.00 60.00 C ATOM 1162 C LYS A 72 1.935 -16.538 -9.238 1.00 54.21 C ATOM 1163 O LYS A 72 1.926 -15.597 -8.471 1.00 4.52 O ATOM 1164 CB LYS A 72 1.581 -15.647 -11.561 1.00 21.21 C ATOM 1165 CG LYS A 72 2.274 -15.350 -12.892 1.00 20.44 C ATOM 1166 CD LYS A 72 2.817 -13.919 -12.881 1.00 4.43 C ATOM 1167 CE LYS A 72 1.650 -12.929 -12.853 1.00 51.10 C ATOM 1168 NZ LYS A 72 2.209 -11.657 -13.392 1.00 2.31 N ATOM 0 H LYS A 72 2.024 -17.954 -12.029 1.00 34.12 H new ATOM 0 HA LYS A 72 3.492 -15.904 -10.530 1.00 60.00 H new ATOM 0 HB2 LYS A 72 0.678 -16.233 -11.733 1.00 21.21 H new ATOM 0 HB3 LYS A 72 1.271 -14.716 -11.086 1.00 21.21 H new ATOM 0 HG2 LYS A 72 3.087 -16.057 -13.056 1.00 20.44 H new ATOM 0 HG3 LYS A 72 1.571 -15.477 -13.716 1.00 20.44 H new ATOM 0 HD2 LYS A 72 3.456 -13.768 -12.011 1.00 4.43 H new ATOM 0 HD3 LYS A 72 3.433 -13.746 -13.763 1.00 4.43 H new ATOM 0 HE2 LYS A 72 0.818 -13.283 -13.461 1.00 51.10 H new ATOM 0 HE3 LYS A 72 1.270 -12.795 -11.840 1.00 51.10 H new ATOM 0 HZ1 LYS A 72 1.466 -10.929 -13.404 1.00 2.31 H new ATOM 0 HZ2 LYS A 72 2.995 -11.340 -12.789 1.00 2.31 H new ATOM 0 HZ3 LYS A 72 2.556 -11.813 -14.360 1.00 2.31 H new ATOM 1182 N VAL A 73 1.425 -17.691 -8.900 1.00 3.45 N ATOM 1183 CA VAL A 73 0.818 -17.877 -7.548 1.00 1.23 C ATOM 1184 C VAL A 73 1.846 -18.441 -6.559 1.00 63.20 C ATOM 1185 O VAL A 73 1.703 -18.306 -5.360 1.00 42.25 O ATOM 1186 CB VAL A 73 -0.313 -18.884 -7.765 1.00 44.10 C ATOM 1187 CG1 VAL A 73 -1.102 -19.059 -6.466 1.00 11.20 C ATOM 1188 CG2 VAL A 73 -1.248 -18.363 -8.859 1.00 22.54 C ATOM 0 H VAL A 73 1.402 -18.514 -9.502 1.00 3.45 H new ATOM 0 HA VAL A 73 0.466 -16.935 -7.128 1.00 1.23 H new ATOM 0 HB VAL A 73 0.107 -19.844 -8.065 1.00 44.10 H new ATOM 0 HG11 VAL A 73 -1.907 -19.777 -6.623 1.00 11.20 H new ATOM 0 HG12 VAL A 73 -0.438 -19.425 -5.683 1.00 11.20 H new ATOM 0 HG13 VAL A 73 -1.524 -18.100 -6.165 1.00 11.20 H new ATOM 0 HG21 VAL A 73 -2.056 -19.077 -9.018 1.00 22.54 H new ATOM 0 HG22 VAL A 73 -1.666 -17.404 -8.554 1.00 22.54 H new ATOM 0 HG23 VAL A 73 -0.689 -18.236 -9.786 1.00 22.54 H new ATOM 1198 N LYS A 74 2.869 -19.081 -7.049 1.00 12.05 N ATOM 1199 CA LYS A 74 3.894 -19.668 -6.135 1.00 45.41 C ATOM 1200 C LYS A 74 4.392 -18.632 -5.122 1.00 73.52 C ATOM 1201 O LYS A 74 4.373 -18.858 -3.928 1.00 2.20 O ATOM 1202 CB LYS A 74 5.036 -20.104 -7.053 1.00 4.03 C ATOM 1203 CG LYS A 74 4.540 -21.198 -8.002 1.00 2.45 C ATOM 1204 CD LYS A 74 4.168 -22.442 -7.194 1.00 72.12 C ATOM 1205 CE LYS A 74 2.708 -22.808 -7.458 1.00 12.33 C ATOM 1206 NZ LYS A 74 2.476 -24.055 -6.680 1.00 65.03 N ATOM 0 H LYS A 74 3.042 -19.225 -8.044 1.00 12.05 H new ATOM 0 HA LYS A 74 3.487 -20.495 -5.553 1.00 45.41 H new ATOM 0 HB2 LYS A 74 5.403 -19.251 -7.624 1.00 4.03 H new ATOM 0 HB3 LYS A 74 5.872 -20.474 -6.460 1.00 4.03 H new ATOM 0 HG2 LYS A 74 3.675 -20.843 -8.563 1.00 2.45 H new ATOM 0 HG3 LYS A 74 5.314 -21.442 -8.730 1.00 2.45 H new ATOM 0 HD2 LYS A 74 4.817 -23.274 -7.468 1.00 72.12 H new ATOM 0 HD3 LYS A 74 4.320 -22.256 -6.131 1.00 72.12 H new ATOM 0 HE2 LYS A 74 2.037 -22.012 -7.136 1.00 12.33 H new ATOM 0 HE3 LYS A 74 2.527 -22.967 -8.521 1.00 12.33 H new ATOM 0 HZ1 LYS A 74 1.473 -24.115 -6.411 1.00 65.03 H new ATOM 0 HZ2 LYS A 74 2.728 -24.879 -7.262 1.00 65.03 H new ATOM 0 HZ3 LYS A 74 3.064 -24.044 -5.822 1.00 65.03 H new ATOM 1220 N GLN A 75 4.854 -17.504 -5.586 1.00 23.14 N ATOM 1221 CA GLN A 75 5.369 -16.465 -4.646 1.00 51.53 C ATOM 1222 C GLN A 75 4.250 -15.936 -3.742 1.00 1.42 C ATOM 1223 O GLN A 75 4.493 -15.193 -2.813 1.00 25.21 O ATOM 1224 CB GLN A 75 5.942 -15.344 -5.528 1.00 73.34 C ATOM 1225 CG GLN A 75 5.010 -15.032 -6.710 1.00 14.12 C ATOM 1226 CD GLN A 75 3.561 -14.951 -6.236 1.00 1.20 C ATOM 1227 OE1 GLN A 75 2.816 -15.902 -6.362 1.00 34.42 O ATOM 1228 NE2 GLN A 75 3.127 -13.849 -5.692 1.00 74.32 N ATOM 0 H GLN A 75 4.898 -17.255 -6.574 1.00 23.14 H new ATOM 0 HA GLN A 75 6.130 -16.875 -3.981 1.00 51.53 H new ATOM 0 HB2 GLN A 75 6.087 -14.445 -4.929 1.00 73.34 H new ATOM 0 HB3 GLN A 75 6.922 -15.638 -5.903 1.00 73.34 H new ATOM 0 HG2 GLN A 75 5.302 -14.089 -7.173 1.00 14.12 H new ATOM 0 HG3 GLN A 75 5.108 -15.805 -7.473 1.00 14.12 H new ATOM 0 HE21 GLN A 75 3.754 -13.051 -5.587 1.00 74.32 H new ATOM 0 HE22 GLN A 75 2.161 -13.785 -5.372 1.00 74.32 H new ATOM 1237 N ALA A 76 3.029 -16.311 -4.004 1.00 34.13 N ATOM 1238 CA ALA A 76 1.901 -15.826 -3.158 1.00 12.43 C ATOM 1239 C ALA A 76 1.569 -16.852 -2.079 1.00 21.34 C ATOM 1240 O ALA A 76 1.336 -16.515 -0.936 1.00 2.25 O ATOM 1241 CB ALA A 76 0.720 -15.657 -4.115 1.00 13.30 C ATOM 0 H ALA A 76 2.763 -16.933 -4.768 1.00 34.13 H new ATOM 0 HA ALA A 76 2.146 -14.894 -2.648 1.00 12.43 H new ATOM 0 HB1 ALA A 76 -0.149 -15.301 -3.561 1.00 13.30 H new ATOM 0 HB2 ALA A 76 0.979 -14.933 -4.888 1.00 13.30 H new ATOM 0 HB3 ALA A 76 0.487 -16.616 -4.579 1.00 13.30 H new ATOM 1247 N LEU A 77 1.542 -18.107 -2.432 1.00 33.23 N ATOM 1248 CA LEU A 77 1.222 -19.155 -1.424 1.00 63.33 C ATOM 1249 C LEU A 77 2.445 -19.430 -0.549 1.00 75.22 C ATOM 1250 O LEU A 77 2.330 -19.824 0.595 1.00 53.33 O ATOM 1251 CB LEU A 77 0.846 -20.393 -2.239 1.00 30.52 C ATOM 1252 CG LEU A 77 -0.174 -20.009 -3.313 1.00 72.43 C ATOM 1253 CD1 LEU A 77 -0.782 -21.275 -3.919 1.00 40.42 C ATOM 1254 CD2 LEU A 77 -1.283 -19.162 -2.685 1.00 41.42 C ATOM 0 H LEU A 77 1.728 -18.452 -3.374 1.00 33.23 H new ATOM 0 HA LEU A 77 0.415 -18.855 -0.755 1.00 63.33 H new ATOM 0 HB2 LEU A 77 1.735 -20.819 -2.703 1.00 30.52 H new ATOM 0 HB3 LEU A 77 0.430 -21.159 -1.585 1.00 30.52 H new ATOM 0 HG LEU A 77 0.324 -19.436 -4.095 1.00 72.43 H new ATOM 0 HD11 LEU A 77 -1.508 -21.000 -4.684 1.00 40.42 H new ATOM 0 HD12 LEU A 77 0.007 -21.878 -4.368 1.00 40.42 H new ATOM 0 HD13 LEU A 77 -1.278 -21.850 -3.138 1.00 40.42 H new ATOM 0 HD21 LEU A 77 -2.009 -18.889 -3.450 1.00 41.42 H new ATOM 0 HD22 LEU A 77 -1.779 -19.735 -1.902 1.00 41.42 H new ATOM 0 HD23 LEU A 77 -0.851 -18.258 -2.255 1.00 41.42 H new ATOM 1266 N THR A 78 3.620 -19.218 -1.077 1.00 62.15 N ATOM 1267 CA THR A 78 4.853 -19.461 -0.278 1.00 71.33 C ATOM 1268 C THR A 78 5.097 -18.282 0.671 1.00 53.53 C ATOM 1269 O THR A 78 5.644 -18.438 1.745 1.00 54.41 O ATOM 1270 CB THR A 78 5.979 -19.569 -1.310 1.00 75.34 C ATOM 1271 OG1 THR A 78 7.127 -20.140 -0.699 1.00 50.33 O ATOM 1272 CG2 THR A 78 6.323 -18.179 -1.847 1.00 21.22 C ATOM 0 H THR A 78 3.778 -18.887 -2.029 1.00 62.15 H new ATOM 0 HA THR A 78 4.784 -20.358 0.338 1.00 71.33 H new ATOM 0 HB THR A 78 5.653 -20.202 -2.135 1.00 75.34 H new ATOM 0 HG1 THR A 78 7.848 -20.211 -1.359 1.00 50.33 H new ATOM 0 HG21 THR A 78 7.125 -18.261 -2.581 1.00 21.22 H new ATOM 0 HG22 THR A 78 5.442 -17.743 -2.319 1.00 21.22 H new ATOM 0 HG23 THR A 78 6.648 -17.541 -1.025 1.00 21.22 H new ATOM 1280 N GLU A 79 4.693 -17.104 0.281 1.00 13.03 N ATOM 1281 CA GLU A 79 4.897 -15.914 1.156 1.00 21.51 C ATOM 1282 C GLU A 79 3.658 -15.681 2.023 1.00 63.40 C ATOM 1283 O GLU A 79 3.738 -15.612 3.233 1.00 43.40 O ATOM 1284 CB GLU A 79 5.104 -14.745 0.190 1.00 44.22 C ATOM 1285 CG GLU A 79 6.458 -14.892 -0.507 1.00 24.51 C ATOM 1286 CD GLU A 79 7.473 -13.955 0.144 1.00 73.42 C ATOM 1287 OE1 GLU A 79 7.565 -12.818 -0.291 1.00 73.01 O ATOM 1288 OE2 GLU A 79 8.143 -14.388 1.069 1.00 21.11 O ATOM 0 H GLU A 79 4.230 -16.914 -0.607 1.00 13.03 H new ATOM 0 HA GLU A 79 5.742 -16.037 1.834 1.00 21.51 H new ATOM 0 HB2 GLU A 79 4.303 -14.724 -0.549 1.00 44.22 H new ATOM 0 HB3 GLU A 79 5.063 -13.800 0.732 1.00 44.22 H new ATOM 0 HG2 GLU A 79 6.804 -15.923 -0.438 1.00 24.51 H new ATOM 0 HG3 GLU A 79 6.360 -14.659 -1.567 1.00 24.51 H new ATOM 1295 N GLN A 80 2.511 -15.557 1.412 1.00 20.04 N ATOM 1296 CA GLN A 80 1.265 -15.330 2.199 1.00 30.54 C ATOM 1297 C GLN A 80 0.522 -16.651 2.387 1.00 42.44 C ATOM 1298 O GLN A 80 0.240 -17.071 3.493 1.00 23.41 O ATOM 1299 CB GLN A 80 0.413 -14.371 1.358 1.00 41.02 C ATOM 1300 CG GLN A 80 1.293 -13.303 0.702 1.00 31.53 C ATOM 1301 CD GLN A 80 0.510 -12.631 -0.428 1.00 64.40 C ATOM 1302 OE1 GLN A 80 0.490 -11.420 -0.532 1.00 32.12 O ATOM 1303 NE2 GLN A 80 -0.140 -13.372 -1.285 1.00 64.22 N ATOM 0 H GLN A 80 2.383 -15.603 0.401 1.00 20.04 H new ATOM 0 HA GLN A 80 1.479 -14.923 3.187 1.00 30.54 H new ATOM 0 HB2 GLN A 80 -0.123 -14.930 0.591 1.00 41.02 H new ATOM 0 HB3 GLN A 80 -0.338 -13.895 1.989 1.00 41.02 H new ATOM 0 HG2 GLN A 80 1.597 -12.562 1.441 1.00 31.53 H new ATOM 0 HG3 GLN A 80 2.204 -13.756 0.310 1.00 31.53 H new ATOM 0 HE21 GLN A 80 -0.123 -14.388 -1.197 1.00 64.22 H new ATOM 0 HE22 GLN A 80 -0.665 -12.935 -2.042 1.00 64.22 H new ATOM 1312 N GLY A 81 0.202 -17.307 1.308 1.00 75.33 N ATOM 1313 CA GLY A 81 -0.527 -18.599 1.403 1.00 2.43 C ATOM 1314 C GLY A 81 -1.811 -18.518 0.579 1.00 41.44 C ATOM 1315 O GLY A 81 -2.611 -19.433 0.565 1.00 21.33 O ATOM 0 H GLY A 81 0.416 -17.001 0.359 1.00 75.33 H new ATOM 0 HA2 GLY A 81 0.101 -19.412 1.039 1.00 2.43 H new ATOM 0 HA3 GLY A 81 -0.763 -18.821 2.444 1.00 2.43 H new ATOM 1319 N TYR A 82 -2.017 -17.427 -0.112 1.00 3.42 N ATOM 1320 CA TYR A 82 -3.254 -17.294 -0.936 1.00 40.12 C ATOM 1321 C TYR A 82 -2.984 -16.383 -2.134 1.00 24.42 C ATOM 1322 O TYR A 82 -2.218 -15.443 -2.052 1.00 2.44 O ATOM 1323 CB TYR A 82 -4.316 -16.660 -0.023 1.00 43.04 C ATOM 1324 CG TYR A 82 -4.056 -17.016 1.424 1.00 70.34 C ATOM 1325 CD1 TYR A 82 -3.076 -16.328 2.148 1.00 31.12 C ATOM 1326 CD2 TYR A 82 -4.796 -18.033 2.040 1.00 15.32 C ATOM 1327 CE1 TYR A 82 -2.834 -16.654 3.487 1.00 2.24 C ATOM 1328 CE2 TYR A 82 -4.554 -18.359 3.380 1.00 24.51 C ATOM 1329 CZ TYR A 82 -3.576 -17.671 4.105 1.00 13.15 C ATOM 1330 OH TYR A 82 -3.339 -17.993 5.425 1.00 52.34 O ATOM 0 H TYR A 82 -1.386 -16.627 -0.141 1.00 3.42 H new ATOM 0 HA TYR A 82 -3.585 -18.260 -1.317 1.00 40.12 H new ATOM 0 HB2 TYR A 82 -4.307 -15.577 -0.144 1.00 43.04 H new ATOM 0 HB3 TYR A 82 -5.308 -17.005 -0.315 1.00 43.04 H new ATOM 0 HD1 TYR A 82 -2.505 -15.544 1.672 1.00 31.12 H new ATOM 0 HD2 TYR A 82 -5.552 -18.565 1.482 1.00 15.32 H new ATOM 0 HE1 TYR A 82 -2.076 -16.123 4.044 1.00 2.24 H new ATOM 0 HE2 TYR A 82 -5.124 -19.144 3.855 1.00 24.51 H new ATOM 0 HH TYR A 82 -3.940 -18.718 5.698 1.00 52.34 H new ATOM 1340 N TYR A 83 -3.611 -16.648 -3.246 1.00 14.20 N ATOM 1341 CA TYR A 83 -3.393 -15.791 -4.446 1.00 2.04 C ATOM 1342 C TYR A 83 -4.693 -15.651 -5.244 1.00 55.42 C ATOM 1343 O TYR A 83 -5.298 -16.627 -5.638 1.00 45.11 O ATOM 1344 CB TYR A 83 -2.335 -16.521 -5.277 1.00 24.21 C ATOM 1345 CG TYR A 83 -2.199 -15.842 -6.619 1.00 71.34 C ATOM 1346 CD1 TYR A 83 -3.191 -16.015 -7.593 1.00 74.21 C ATOM 1347 CD2 TYR A 83 -1.085 -15.040 -6.890 1.00 52.12 C ATOM 1348 CE1 TYR A 83 -3.067 -15.386 -8.838 1.00 71.33 C ATOM 1349 CE2 TYR A 83 -0.962 -14.409 -8.134 1.00 21.53 C ATOM 1350 CZ TYR A 83 -1.953 -14.581 -9.110 1.00 21.15 C ATOM 1351 OH TYR A 83 -1.833 -13.960 -10.333 1.00 30.44 O ATOM 0 H TYR A 83 -4.265 -17.420 -3.376 1.00 14.20 H new ATOM 0 HA TYR A 83 -3.075 -14.784 -4.175 1.00 2.04 H new ATOM 0 HB2 TYR A 83 -1.378 -16.515 -4.755 1.00 24.21 H new ATOM 0 HB3 TYR A 83 -2.618 -17.565 -5.412 1.00 24.21 H new ATOM 0 HD1 TYR A 83 -4.051 -16.633 -7.384 1.00 74.21 H new ATOM 0 HD2 TYR A 83 -0.320 -14.908 -6.140 1.00 52.12 H new ATOM 0 HE1 TYR A 83 -3.831 -15.522 -9.589 1.00 71.33 H new ATOM 0 HE2 TYR A 83 -0.102 -13.789 -8.342 1.00 21.53 H new ATOM 0 HH TYR A 83 -1.003 -13.439 -10.355 1.00 30.44 H new ATOM 1361 N LEU A 84 -5.120 -14.444 -5.487 1.00 62.24 N ATOM 1362 CA LEU A 84 -6.376 -14.239 -6.264 1.00 12.15 C ATOM 1363 C LEU A 84 -6.033 -13.945 -7.723 1.00 33.14 C ATOM 1364 O LEU A 84 -5.222 -13.089 -8.018 1.00 61.15 O ATOM 1365 CB LEU A 84 -7.059 -13.038 -5.607 1.00 1.25 C ATOM 1366 CG LEU A 84 -8.445 -12.810 -6.228 1.00 24.40 C ATOM 1367 CD1 LEU A 84 -9.139 -14.152 -6.481 1.00 44.12 C ATOM 1368 CD2 LEU A 84 -9.296 -11.979 -5.267 1.00 25.41 C ATOM 0 H LEU A 84 -4.654 -13.589 -5.182 1.00 62.24 H new ATOM 0 HA LEU A 84 -7.024 -15.116 -6.259 1.00 12.15 H new ATOM 0 HB2 LEU A 84 -7.157 -13.208 -4.535 1.00 1.25 H new ATOM 0 HB3 LEU A 84 -6.445 -12.147 -5.734 1.00 1.25 H new ATOM 0 HG LEU A 84 -8.328 -12.285 -7.176 1.00 24.40 H new ATOM 0 HD11 LEU A 84 -10.121 -13.977 -6.921 1.00 44.12 H new ATOM 0 HD12 LEU A 84 -8.536 -14.750 -7.164 1.00 44.12 H new ATOM 0 HD13 LEU A 84 -9.255 -14.685 -5.537 1.00 44.12 H new ATOM 0 HD21 LEU A 84 -10.281 -11.814 -5.703 1.00 25.41 H new ATOM 0 HD22 LEU A 84 -9.402 -12.511 -4.322 1.00 25.41 H new ATOM 0 HD23 LEU A 84 -8.812 -11.018 -5.090 1.00 25.41 H new ATOM 1380 N GLN A 85 -6.626 -14.656 -8.641 1.00 31.25 N ATOM 1381 CA GLN A 85 -6.305 -14.417 -10.073 1.00 21.02 C ATOM 1382 C GLN A 85 -7.425 -13.639 -10.771 1.00 63.33 C ATOM 1383 O GLN A 85 -8.592 -13.978 -10.677 1.00 40.44 O ATOM 1384 CB GLN A 85 -6.143 -15.811 -10.686 1.00 14.23 C ATOM 1385 CG GLN A 85 -7.514 -16.394 -11.051 1.00 11.25 C ATOM 1386 CD GLN A 85 -7.968 -15.883 -12.428 1.00 22.25 C ATOM 1387 OE1 GLN A 85 -7.265 -14.978 -13.058 1.00 65.21 O flip ATOM 1388 NE2 GLN A 85 -8.983 -16.315 -12.935 1.00 0.22 N flip ATOM 0 H GLN A 85 -7.314 -15.387 -8.462 1.00 31.25 H new ATOM 0 HA GLN A 85 -5.404 -13.814 -10.188 1.00 21.02 H new ATOM 0 HB2 GLN A 85 -5.516 -15.754 -11.576 1.00 14.23 H new ATOM 0 HB3 GLN A 85 -5.636 -16.469 -9.980 1.00 14.23 H new ATOM 0 HG2 GLN A 85 -7.462 -17.483 -11.060 1.00 11.25 H new ATOM 0 HG3 GLN A 85 -8.247 -16.116 -10.294 1.00 11.25 H new ATOM 0 HE21 GLN A 85 -9.536 -17.021 -12.448 1.00 0.22 H new ATOM 0 HE22 GLN A 85 -9.283 -15.972 -13.847 1.00 0.22 H new ATOM 1397 N LEU A 86 -7.061 -12.611 -11.488 1.00 61.31 N ATOM 1398 CA LEU A 86 -8.068 -11.803 -12.226 1.00 61.50 C ATOM 1399 C LEU A 86 -7.589 -11.589 -13.664 1.00 50.11 C ATOM 1400 O LEU A 86 -6.476 -11.157 -13.887 1.00 4.13 O ATOM 1401 CB LEU A 86 -8.138 -10.470 -11.478 1.00 1.14 C ATOM 1402 CG LEU A 86 -9.592 -10.007 -11.391 1.00 14.25 C ATOM 1403 CD1 LEU A 86 -10.115 -9.692 -12.794 1.00 72.14 C ATOM 1404 CD2 LEU A 86 -10.440 -11.119 -10.770 1.00 54.10 C ATOM 0 H LEU A 86 -6.097 -12.295 -11.594 1.00 61.31 H new ATOM 0 HA LEU A 86 -9.044 -12.286 -12.273 1.00 61.50 H new ATOM 0 HB2 LEU A 86 -7.720 -10.581 -10.477 1.00 1.14 H new ATOM 0 HB3 LEU A 86 -7.537 -9.720 -11.993 1.00 1.14 H new ATOM 0 HG LEU A 86 -9.652 -9.111 -10.773 1.00 14.25 H new ATOM 0 HD11 LEU A 86 -11.152 -9.362 -12.730 1.00 72.14 H new ATOM 0 HD12 LEU A 86 -9.510 -8.902 -13.239 1.00 72.14 H new ATOM 0 HD13 LEU A 86 -10.057 -10.587 -13.414 1.00 72.14 H new ATOM 0 HD21 LEU A 86 -11.478 -10.792 -10.706 1.00 54.10 H new ATOM 0 HD22 LEU A 86 -10.378 -12.013 -11.390 1.00 54.10 H new ATOM 0 HD23 LEU A 86 -10.069 -11.345 -9.770 1.00 54.10 H new ATOM 1416 N PRO A 87 -8.445 -11.907 -14.598 1.00 40.25 N ATOM 1417 CA PRO A 87 -8.097 -11.752 -16.034 1.00 75.03 C ATOM 1418 C PRO A 87 -7.965 -10.270 -16.397 1.00 73.34 C ATOM 1419 O PRO A 87 -8.837 -9.479 -16.103 1.00 71.41 O ATOM 1420 CB PRO A 87 -9.281 -12.392 -16.757 1.00 53.51 C ATOM 1421 CG PRO A 87 -10.409 -12.301 -15.785 1.00 35.12 C ATOM 1422 CD PRO A 87 -9.801 -12.430 -14.414 1.00 24.42 C ATOM 0 HA PRO A 87 -7.144 -12.211 -16.299 1.00 75.03 H new ATOM 0 HB2 PRO A 87 -9.512 -11.865 -17.683 1.00 53.51 H new ATOM 0 HB3 PRO A 87 -9.070 -13.428 -17.024 1.00 53.51 H new ATOM 0 HG2 PRO A 87 -10.935 -11.352 -15.889 1.00 35.12 H new ATOM 0 HG3 PRO A 87 -11.139 -13.091 -15.962 1.00 35.12 H new ATOM 0 HD2 PRO A 87 -10.356 -11.857 -13.672 1.00 24.42 H new ATOM 0 HD3 PRO A 87 -9.790 -13.466 -14.074 1.00 24.42 H new ATOM 1430 N PRO A 88 -6.870 -9.947 -17.032 1.00 15.24 N ATOM 1431 CA PRO A 88 -6.617 -8.547 -17.442 1.00 73.34 C ATOM 1432 C PRO A 88 -7.509 -8.176 -18.627 1.00 13.24 C ATOM 1433 O PRO A 88 -8.179 -9.021 -19.186 1.00 64.22 O ATOM 1434 CB PRO A 88 -5.143 -8.551 -17.846 1.00 54.20 C ATOM 1435 CG PRO A 88 -4.847 -9.968 -18.220 1.00 63.52 C ATOM 1436 CD PRO A 88 -5.779 -10.847 -17.423 1.00 72.01 C ATOM 0 HA PRO A 88 -6.833 -7.821 -16.658 1.00 73.34 H new ATOM 0 HB2 PRO A 88 -4.961 -7.876 -18.682 1.00 54.20 H new ATOM 0 HB3 PRO A 88 -4.508 -8.219 -17.025 1.00 54.20 H new ATOM 0 HG2 PRO A 88 -4.994 -10.122 -19.289 1.00 63.52 H new ATOM 0 HG3 PRO A 88 -3.808 -10.214 -18.003 1.00 63.52 H new ATOM 0 HD2 PRO A 88 -6.146 -11.683 -18.019 1.00 72.01 H new ATOM 0 HD3 PRO A 88 -5.280 -11.271 -16.552 1.00 72.01 H new ATOM 1444 N PRO A 89 -7.487 -6.920 -18.970 1.00 22.13 N ATOM 1445 CA PRO A 89 -8.307 -6.427 -20.103 1.00 42.23 C ATOM 1446 C PRO A 89 -7.715 -6.888 -21.435 1.00 3.14 C ATOM 1447 O PRO A 89 -6.533 -7.151 -21.534 1.00 24.33 O ATOM 1448 CB PRO A 89 -8.233 -4.909 -19.966 1.00 53.14 C ATOM 1449 CG PRO A 89 -6.960 -4.648 -19.224 1.00 35.43 C ATOM 1450 CD PRO A 89 -6.703 -5.847 -18.348 1.00 75.20 C ATOM 0 HA PRO A 89 -9.331 -6.801 -20.085 1.00 42.23 H new ATOM 0 HB2 PRO A 89 -8.227 -4.425 -20.942 1.00 53.14 H new ATOM 0 HB3 PRO A 89 -9.094 -4.519 -19.422 1.00 53.14 H new ATOM 0 HG2 PRO A 89 -6.134 -4.494 -19.919 1.00 35.43 H new ATOM 0 HG3 PRO A 89 -7.043 -3.743 -18.623 1.00 35.43 H new ATOM 0 HD2 PRO A 89 -5.642 -6.096 -18.315 1.00 75.20 H new ATOM 0 HD3 PRO A 89 -7.020 -5.666 -17.321 1.00 75.20 H new ATOM 1458 N PRO A 90 -8.566 -6.968 -22.421 1.00 43.31 N ATOM 1459 CA PRO A 90 -8.132 -7.401 -23.772 1.00 70.21 C ATOM 1460 C PRO A 90 -7.282 -6.311 -24.433 1.00 15.23 C ATOM 1461 O PRO A 90 -6.181 -6.556 -24.879 1.00 2.13 O ATOM 1462 CB PRO A 90 -9.447 -7.603 -24.522 1.00 53.12 C ATOM 1463 CG PRO A 90 -10.433 -6.733 -23.811 1.00 22.54 C ATOM 1464 CD PRO A 90 -9.999 -6.666 -22.371 1.00 64.02 C ATOM 0 HA PRO A 90 -7.515 -8.299 -23.760 1.00 70.21 H new ATOM 0 HB2 PRO A 90 -9.352 -7.318 -25.570 1.00 53.12 H new ATOM 0 HB3 PRO A 90 -9.756 -8.648 -24.503 1.00 53.12 H new ATOM 0 HG2 PRO A 90 -10.459 -5.737 -24.253 1.00 22.54 H new ATOM 0 HG3 PRO A 90 -11.439 -7.144 -23.892 1.00 22.54 H new ATOM 0 HD2 PRO A 90 -10.185 -5.681 -21.943 1.00 64.02 H new ATOM 0 HD3 PRO A 90 -10.538 -7.387 -21.757 1.00 64.02 H new ATOM 1472 N GLU A 91 -7.789 -5.111 -24.499 1.00 54.22 N ATOM 1473 CA GLU A 91 -7.008 -4.008 -25.129 1.00 52.25 C ATOM 1474 C GLU A 91 -5.630 -3.897 -24.475 1.00 43.21 C ATOM 1475 O GLU A 91 -4.624 -3.763 -25.140 1.00 62.21 O ATOM 1476 CB GLU A 91 -7.828 -2.741 -24.875 1.00 15.00 C ATOM 1477 CG GLU A 91 -8.071 -2.577 -23.374 1.00 61.21 C ATOM 1478 CD GLU A 91 -9.171 -1.538 -23.147 1.00 64.23 C ATOM 1479 OE1 GLU A 91 -8.891 -0.361 -23.309 1.00 0.12 O ATOM 1480 OE2 GLU A 91 -10.277 -1.936 -22.815 1.00 63.34 O ATOM 0 H GLU A 91 -8.708 -4.846 -24.145 1.00 54.22 H new ATOM 0 HA GLU A 91 -6.842 -4.176 -26.193 1.00 52.25 H new ATOM 0 HB2 GLU A 91 -7.301 -1.871 -25.265 1.00 15.00 H new ATOM 0 HB3 GLU A 91 -8.780 -2.800 -25.403 1.00 15.00 H new ATOM 0 HG2 GLU A 91 -8.361 -3.532 -22.935 1.00 61.21 H new ATOM 0 HG3 GLU A 91 -7.152 -2.264 -22.878 1.00 61.21 H new ATOM 1487 N ASP A 92 -5.585 -3.953 -23.176 1.00 14.10 N ATOM 1488 CA ASP A 92 -4.275 -3.855 -22.468 1.00 60.13 C ATOM 1489 C ASP A 92 -3.432 -2.722 -23.060 1.00 72.45 C ATOM 1490 O ASP A 92 -2.221 -2.724 -22.966 1.00 52.33 O ATOM 1491 CB ASP A 92 -3.597 -5.204 -22.700 1.00 75.12 C ATOM 1492 CG ASP A 92 -2.536 -5.434 -21.621 1.00 3.30 C ATOM 1493 OD1 ASP A 92 -1.423 -4.971 -21.805 1.00 52.22 O ATOM 1494 OD2 ASP A 92 -2.856 -6.069 -20.629 1.00 73.32 O ATOM 0 H ASP A 92 -6.398 -4.063 -22.570 1.00 14.10 H new ATOM 0 HA ASP A 92 -4.397 -3.636 -21.407 1.00 60.13 H new ATOM 0 HB2 ASP A 92 -4.337 -6.004 -22.674 1.00 75.12 H new ATOM 0 HB3 ASP A 92 -3.137 -5.227 -23.688 1.00 75.12 H new ATOM 1499 N LEU A 93 -4.061 -1.750 -23.664 1.00 14.34 N ATOM 1500 CA LEU A 93 -3.289 -0.619 -24.256 1.00 41.22 C ATOM 1501 C LEU A 93 -2.418 0.041 -23.186 1.00 43.43 C ATOM 1502 O LEU A 93 -2.714 -0.020 -22.009 1.00 63.15 O ATOM 1503 CB LEU A 93 -4.348 0.359 -24.764 1.00 63.21 C ATOM 1504 CG LEU A 93 -4.947 -0.167 -26.067 1.00 40.40 C ATOM 1505 CD1 LEU A 93 -6.285 0.525 -26.330 1.00 75.32 C ATOM 1506 CD2 LEU A 93 -3.989 0.127 -27.222 1.00 10.15 C ATOM 0 H LEU A 93 -5.073 -1.690 -23.773 1.00 14.34 H new ATOM 0 HA LEU A 93 -2.621 -0.946 -25.053 1.00 41.22 H new ATOM 0 HB2 LEU A 93 -5.131 0.484 -24.016 1.00 63.21 H new ATOM 0 HB3 LEU A 93 -3.903 1.341 -24.927 1.00 63.21 H new ATOM 0 HG LEU A 93 -5.103 -1.243 -25.986 1.00 40.40 H new ATOM 0 HD11 LEU A 93 -6.712 0.150 -27.260 1.00 75.32 H new ATOM 0 HD12 LEU A 93 -6.969 0.319 -25.507 1.00 75.32 H new ATOM 0 HD13 LEU A 93 -6.129 1.601 -26.411 1.00 75.32 H new ATOM 0 HD21 LEU A 93 -4.415 -0.248 -28.153 1.00 10.15 H new ATOM 0 HD22 LEU A 93 -3.834 1.203 -27.301 1.00 10.15 H new ATOM 0 HD23 LEU A 93 -3.034 -0.364 -27.037 1.00 10.15 H new ATOM 1518 N LEU A 94 -1.346 0.670 -23.579 1.00 12.25 N ATOM 1519 CA LEU A 94 -0.462 1.331 -22.578 1.00 53.14 C ATOM 1520 C LEU A 94 0.667 2.092 -23.278 1.00 33.12 C ATOM 1521 O LEU A 94 0.916 3.247 -22.996 1.00 5.34 O ATOM 1522 CB LEU A 94 0.107 0.186 -21.739 1.00 45.43 C ATOM 1523 CG LEU A 94 1.132 0.738 -20.746 1.00 61.11 C ATOM 1524 CD1 LEU A 94 0.405 1.375 -19.561 1.00 52.20 C ATOM 1525 CD2 LEU A 94 2.022 -0.402 -20.245 1.00 3.21 C ATOM 0 H LEU A 94 -1.043 0.755 -24.549 1.00 12.25 H new ATOM 0 HA LEU A 94 -1.002 2.058 -21.971 1.00 53.14 H new ATOM 0 HB2 LEU A 94 -0.696 -0.321 -21.204 1.00 45.43 H new ATOM 0 HB3 LEU A 94 0.575 -0.555 -22.387 1.00 45.43 H new ATOM 0 HG LEU A 94 1.747 1.490 -21.241 1.00 61.11 H new ATOM 0 HD11 LEU A 94 1.136 1.768 -18.854 1.00 52.20 H new ATOM 0 HD12 LEU A 94 -0.229 2.187 -19.917 1.00 52.20 H new ATOM 0 HD13 LEU A 94 -0.211 0.624 -19.066 1.00 52.20 H new ATOM 0 HD21 LEU A 94 2.752 -0.009 -19.538 1.00 3.21 H new ATOM 0 HD22 LEU A 94 1.407 -1.154 -19.751 1.00 3.21 H new ATOM 0 HD23 LEU A 94 2.542 -0.856 -21.089 1.00 3.21 H new ATOM 1537 N LYS A 95 1.356 1.453 -24.183 1.00 41.53 N ATOM 1538 CA LYS A 95 2.472 2.143 -24.893 1.00 43.12 C ATOM 1539 C LYS A 95 2.102 2.402 -26.356 1.00 61.41 C ATOM 1540 O LYS A 95 1.107 1.914 -26.852 1.00 55.43 O ATOM 1541 CB LYS A 95 3.652 1.175 -24.803 1.00 1.24 C ATOM 1542 CG LYS A 95 4.957 1.968 -24.732 1.00 73.42 C ATOM 1543 CD LYS A 95 5.812 1.439 -23.578 1.00 22.02 C ATOM 1544 CE LYS A 95 6.206 -0.014 -23.859 1.00 71.12 C ATOM 1545 NZ LYS A 95 6.589 -0.572 -22.531 1.00 15.03 N ATOM 0 H LYS A 95 1.196 0.485 -24.462 1.00 41.53 H new ATOM 0 HA LYS A 95 2.700 3.113 -24.452 1.00 43.12 H new ATOM 0 HB2 LYS A 95 3.550 0.542 -23.922 1.00 1.24 H new ATOM 0 HB3 LYS A 95 3.662 0.515 -25.670 1.00 1.24 H new ATOM 0 HG2 LYS A 95 5.501 1.879 -25.672 1.00 73.42 H new ATOM 0 HG3 LYS A 95 4.744 3.027 -24.586 1.00 73.42 H new ATOM 0 HD2 LYS A 95 6.705 2.053 -23.462 1.00 22.02 H new ATOM 0 HD3 LYS A 95 5.257 1.502 -22.642 1.00 22.02 H new ATOM 0 HE2 LYS A 95 5.377 -0.570 -24.297 1.00 71.12 H new ATOM 0 HE3 LYS A 95 7.035 -0.069 -24.565 1.00 71.12 H new ATOM 0 HZ1 LYS A 95 6.872 -1.567 -22.641 1.00 15.03 H new ATOM 0 HZ2 LYS A 95 7.384 -0.027 -22.142 1.00 15.03 H new ATOM 0 HZ3 LYS A 95 5.778 -0.512 -21.882 1.00 15.03 H new ATOM 1559 N GLN A 96 2.901 3.169 -27.049 1.00 14.14 N ATOM 1560 CA GLN A 96 2.602 3.462 -28.481 1.00 72.43 C ATOM 1561 C GLN A 96 3.850 3.234 -29.337 1.00 11.11 C ATOM 1562 O GLN A 96 4.071 3.910 -30.324 1.00 24.53 O ATOM 1563 CB GLN A 96 2.197 4.938 -28.502 1.00 3.33 C ATOM 1564 CG GLN A 96 0.740 5.076 -28.054 1.00 2.33 C ATOM 1565 CD GLN A 96 0.392 6.558 -27.903 1.00 21.25 C ATOM 1566 OE1 GLN A 96 1.126 7.414 -28.355 1.00 61.04 O ATOM 1567 NE2 GLN A 96 -0.705 6.898 -27.281 1.00 62.31 N ATOM 0 H GLN A 96 3.748 3.605 -26.685 1.00 14.14 H new ATOM 0 HA GLN A 96 1.820 2.818 -28.884 1.00 72.43 H new ATOM 0 HB2 GLN A 96 2.847 5.513 -27.843 1.00 3.33 H new ATOM 0 HB3 GLN A 96 2.320 5.345 -29.506 1.00 3.33 H new ATOM 0 HG2 GLN A 96 0.078 4.608 -28.783 1.00 2.33 H new ATOM 0 HG3 GLN A 96 0.589 4.557 -27.107 1.00 2.33 H new ATOM 0 HE21 GLN A 96 -1.320 6.178 -26.902 1.00 62.31 H new ATOM 0 HE22 GLN A 96 -0.946 7.883 -27.174 1.00 62.31 H new ATOM 1576 N HIS A 97 4.668 2.286 -28.968 1.00 53.02 N ATOM 1577 CA HIS A 97 5.902 2.010 -29.759 1.00 32.10 C ATOM 1578 C HIS A 97 6.583 0.735 -29.251 1.00 52.31 C ATOM 1579 O HIS A 97 6.598 0.455 -28.068 1.00 52.01 O ATOM 1580 CB HIS A 97 6.802 3.226 -29.531 1.00 54.31 C ATOM 1581 CG HIS A 97 7.171 3.311 -28.075 1.00 62.42 C ATOM 1582 ND1 HIS A 97 6.290 3.783 -27.117 1.00 24.34 N ATOM 1583 CD2 HIS A 97 8.322 2.985 -27.400 1.00 2.41 C ATOM 1584 CE1 HIS A 97 6.918 3.729 -25.928 1.00 22.34 C ATOM 1585 NE2 HIS A 97 8.158 3.249 -26.043 1.00 64.23 N ATOM 0 H HIS A 97 4.535 1.689 -28.151 1.00 53.02 H new ATOM 0 HA HIS A 97 5.687 1.856 -30.816 1.00 32.10 H new ATOM 0 HB2 HIS A 97 7.702 3.145 -30.141 1.00 54.31 H new ATOM 0 HB3 HIS A 97 6.288 4.136 -29.840 1.00 54.31 H new ATOM 0 HD1 HIS A 97 5.339 4.112 -27.282 1.00 24.34 H new ATOM 0 HD2 HIS A 97 9.217 2.585 -27.853 1.00 2.41 H new ATOM 0 HE1 HIS A 97 6.472 4.037 -24.994 1.00 22.34 H new ATOM 1593 N LEU A 98 7.142 -0.046 -30.136 1.00 10.42 N ATOM 1594 CA LEU A 98 7.818 -1.306 -29.709 1.00 64.13 C ATOM 1595 C LEU A 98 8.712 -1.054 -28.491 1.00 74.13 C ATOM 1596 O LEU A 98 8.492 -1.595 -27.425 1.00 52.42 O ATOM 1597 CB LEU A 98 8.662 -1.732 -30.910 1.00 61.51 C ATOM 1598 CG LEU A 98 7.750 -2.030 -32.101 1.00 21.54 C ATOM 1599 CD1 LEU A 98 8.268 -1.299 -33.340 1.00 63.42 C ATOM 1600 CD2 LEU A 98 7.741 -3.537 -32.369 1.00 63.34 C ATOM 0 H LEU A 98 7.160 0.135 -31.140 1.00 10.42 H new ATOM 0 HA LEU A 98 7.100 -2.073 -29.418 1.00 64.13 H new ATOM 0 HB2 LEU A 98 9.368 -0.943 -31.169 1.00 61.51 H new ATOM 0 HB3 LEU A 98 9.249 -2.615 -30.659 1.00 61.51 H new ATOM 0 HG LEU A 98 6.739 -1.691 -31.876 1.00 21.54 H new ATOM 0 HD11 LEU A 98 7.617 -1.513 -34.187 1.00 63.42 H new ATOM 0 HD12 LEU A 98 8.278 -0.225 -33.152 1.00 63.42 H new ATOM 0 HD13 LEU A 98 9.279 -1.637 -33.566 1.00 63.42 H new ATOM 0 HD21 LEU A 98 7.091 -3.752 -33.218 1.00 63.34 H new ATOM 0 HD22 LEU A 98 8.754 -3.873 -32.593 1.00 63.34 H new ATOM 0 HD23 LEU A 98 7.372 -4.061 -31.488 1.00 63.34 H new ATOM 1612 N SER A 99 9.729 -0.246 -28.643 1.00 23.24 N ATOM 1613 CA SER A 99 10.643 0.029 -27.493 1.00 43.41 C ATOM 1614 C SER A 99 11.435 -1.235 -27.143 1.00 22.30 C ATOM 1615 O SER A 99 12.014 -1.342 -26.080 1.00 51.13 O ATOM 1616 CB SER A 99 9.727 0.427 -26.335 1.00 52.15 C ATOM 1617 OG SER A 99 10.342 1.469 -25.588 1.00 61.42 O ATOM 0 H SER A 99 9.966 0.234 -29.511 1.00 23.24 H new ATOM 0 HA SER A 99 11.368 0.811 -27.719 1.00 43.41 H new ATOM 0 HB2 SER A 99 8.761 0.758 -26.717 1.00 52.15 H new ATOM 0 HB3 SER A 99 9.538 -0.434 -25.693 1.00 52.15 H new ATOM 0 HG SER A 99 9.699 2.196 -25.450 1.00 61.42 H new ATOM 1623 N VAL A 100 11.459 -2.193 -28.030 1.00 71.24 N ATOM 1624 CA VAL A 100 12.208 -3.455 -27.755 1.00 11.50 C ATOM 1625 C VAL A 100 12.276 -4.312 -29.022 1.00 72.54 C ATOM 1626 O VAL A 100 11.975 -5.490 -29.003 1.00 65.34 O ATOM 1627 CB VAL A 100 11.399 -4.168 -26.670 1.00 62.40 C ATOM 1628 CG1 VAL A 100 9.991 -4.453 -27.195 1.00 15.10 C ATOM 1629 CG2 VAL A 100 12.085 -5.487 -26.307 1.00 33.13 C ATOM 0 H VAL A 100 10.991 -2.157 -28.936 1.00 71.24 H new ATOM 0 HA VAL A 100 13.234 -3.267 -27.440 1.00 11.50 H new ATOM 0 HB VAL A 100 11.338 -3.536 -25.784 1.00 62.40 H new ATOM 0 HG11 VAL A 100 9.411 -4.961 -26.424 1.00 15.10 H new ATOM 0 HG12 VAL A 100 9.503 -3.514 -27.456 1.00 15.10 H new ATOM 0 HG13 VAL A 100 10.054 -5.087 -28.079 1.00 15.10 H new ATOM 0 HG21 VAL A 100 11.509 -5.996 -25.534 1.00 33.13 H new ATOM 0 HG22 VAL A 100 12.145 -6.121 -27.191 1.00 33.13 H new ATOM 0 HG23 VAL A 100 13.090 -5.285 -25.937 1.00 33.13 H new ATOM 1639 N MET A 101 12.669 -3.731 -30.123 1.00 51.15 N ATOM 1640 CA MET A 101 12.756 -4.516 -31.389 1.00 64.12 C ATOM 1641 C MET A 101 13.580 -3.751 -32.429 1.00 64.01 C ATOM 1642 O MET A 101 13.293 -2.614 -32.747 1.00 70.32 O ATOM 1643 CB MET A 101 11.310 -4.671 -31.864 1.00 63.52 C ATOM 1644 CG MET A 101 11.258 -5.668 -33.024 1.00 62.22 C ATOM 1645 SD MET A 101 10.257 -7.100 -32.549 1.00 24.21 S ATOM 1646 CE MET A 101 9.355 -7.273 -34.108 1.00 62.22 C ATOM 0 H MET A 101 12.933 -2.749 -30.201 1.00 51.15 H new ATOM 0 HA MET A 101 13.242 -5.481 -31.242 1.00 64.12 H new ATOM 0 HB2 MET A 101 10.682 -5.018 -31.044 1.00 63.52 H new ATOM 0 HB3 MET A 101 10.915 -3.706 -32.182 1.00 63.52 H new ATOM 0 HG2 MET A 101 10.833 -5.192 -33.908 1.00 62.22 H new ATOM 0 HG3 MET A 101 12.266 -5.988 -33.288 1.00 62.22 H new ATOM 0 HE1 MET A 101 8.666 -8.114 -34.038 1.00 62.22 H new ATOM 0 HE2 MET A 101 8.794 -6.360 -34.307 1.00 62.22 H new ATOM 0 HE3 MET A 101 10.061 -7.449 -34.919 1.00 62.22 H new ATOM 1656 N GLY A 102 14.601 -4.365 -32.958 1.00 31.53 N ATOM 1657 CA GLY A 102 15.443 -3.674 -33.976 1.00 15.11 C ATOM 1658 C GLY A 102 16.883 -4.172 -33.876 1.00 33.32 C ATOM 1659 O GLY A 102 17.825 -3.419 -34.030 1.00 5.32 O ATOM 0 H GLY A 102 14.890 -5.316 -32.730 1.00 31.53 H new ATOM 0 HA2 GLY A 102 15.051 -3.863 -34.975 1.00 15.11 H new ATOM 0 HA3 GLY A 102 15.409 -2.596 -33.819 1.00 15.11 H new ATOM 1663 N GLN A 103 17.067 -5.439 -33.619 1.00 60.12 N ATOM 1664 CA GLN A 103 18.449 -5.984 -33.510 1.00 73.52 C ATOM 1665 C GLN A 103 18.646 -7.128 -34.509 1.00 43.31 C ATOM 1666 O GLN A 103 17.754 -7.472 -35.258 1.00 43.50 O ATOM 1667 CB GLN A 103 18.559 -6.499 -32.075 1.00 14.31 C ATOM 1668 CG GLN A 103 19.802 -5.902 -31.414 1.00 42.14 C ATOM 1669 CD GLN A 103 19.397 -5.164 -30.135 1.00 63.42 C ATOM 1670 OE1 GLN A 103 18.462 -4.387 -30.139 1.00 12.13 O ATOM 1671 NE2 GLN A 103 20.065 -5.375 -29.034 1.00 71.25 N ATOM 0 H GLN A 103 16.320 -6.119 -33.480 1.00 60.12 H new ATOM 0 HA GLN A 103 19.208 -5.234 -33.733 1.00 73.52 H new ATOM 0 HB2 GLN A 103 17.667 -6.227 -31.510 1.00 14.31 H new ATOM 0 HB3 GLN A 103 18.619 -7.587 -32.071 1.00 14.31 H new ATOM 0 HG2 GLN A 103 20.517 -6.691 -31.180 1.00 42.14 H new ATOM 0 HG3 GLN A 103 20.298 -5.216 -32.101 1.00 42.14 H new ATOM 0 HE21 GLN A 103 20.849 -6.027 -29.030 1.00 71.25 H new ATOM 0 HE22 GLN A 103 19.803 -4.888 -28.177 1.00 71.25 H new ATOM 1680 N LYS A 104 19.808 -7.720 -34.526 1.00 13.11 N ATOM 1681 CA LYS A 104 20.061 -8.837 -35.480 1.00 14.14 C ATOM 1682 C LYS A 104 20.127 -10.173 -34.735 1.00 42.22 C ATOM 1683 O LYS A 104 20.496 -10.233 -33.578 1.00 44.31 O ATOM 1684 CB LYS A 104 21.412 -8.511 -36.114 1.00 5.12 C ATOM 1685 CG LYS A 104 21.313 -8.656 -37.633 1.00 32.13 C ATOM 1686 CD LYS A 104 22.274 -9.750 -38.104 1.00 13.31 C ATOM 1687 CE LYS A 104 22.245 -9.831 -39.631 1.00 11.11 C ATOM 1688 NZ LYS A 104 22.489 -11.266 -39.941 1.00 12.22 N ATOM 0 H LYS A 104 20.593 -7.479 -33.921 1.00 13.11 H new ATOM 0 HA LYS A 104 19.269 -8.931 -36.223 1.00 14.14 H new ATOM 0 HB2 LYS A 104 21.712 -7.496 -35.854 1.00 5.12 H new ATOM 0 HB3 LYS A 104 22.179 -9.180 -35.724 1.00 5.12 H new ATOM 0 HG2 LYS A 104 20.292 -8.906 -37.919 1.00 32.13 H new ATOM 0 HG3 LYS A 104 21.557 -7.710 -38.116 1.00 32.13 H new ATOM 0 HD2 LYS A 104 23.285 -9.534 -37.760 1.00 13.31 H new ATOM 0 HD3 LYS A 104 21.989 -10.710 -37.673 1.00 13.31 H new ATOM 0 HE2 LYS A 104 21.285 -9.499 -40.026 1.00 11.11 H new ATOM 0 HE3 LYS A 104 23.010 -9.195 -40.075 1.00 11.11 H new ATOM 0 HZ1 LYS A 104 21.982 -11.524 -40.812 1.00 12.22 H new ATOM 0 HZ2 LYS A 104 23.508 -11.424 -40.074 1.00 12.22 H new ATOM 0 HZ3 LYS A 104 22.147 -11.854 -39.154 1.00 12.22 H new ATOM 1702 N THR A 105 19.777 -11.245 -35.392 1.00 53.41 N ATOM 1703 CA THR A 105 19.823 -12.580 -34.730 1.00 21.44 C ATOM 1704 C THR A 105 20.371 -13.626 -35.706 1.00 64.20 C ATOM 1705 O THR A 105 20.254 -13.486 -36.908 1.00 44.41 O ATOM 1706 CB THR A 105 18.372 -12.896 -34.359 1.00 72.32 C ATOM 1707 OG1 THR A 105 17.502 -11.973 -35.006 1.00 54.10 O ATOM 1708 CG2 THR A 105 18.199 -12.797 -32.841 1.00 32.44 C ATOM 0 H THR A 105 19.460 -11.254 -36.362 1.00 53.41 H new ATOM 0 HA THR A 105 20.472 -12.587 -33.854 1.00 21.44 H new ATOM 0 HB THR A 105 18.126 -13.907 -34.683 1.00 72.32 H new ATOM 0 HG1 THR A 105 16.573 -12.178 -34.769 1.00 54.10 H new ATOM 0 HG21 THR A 105 17.166 -13.022 -32.577 1.00 32.44 H new ATOM 0 HG22 THR A 105 18.862 -13.511 -32.352 1.00 32.44 H new ATOM 0 HG23 THR A 105 18.446 -11.788 -32.512 1.00 32.44 H new ATOM 1716 N ASP A 106 20.968 -14.670 -35.201 1.00 4.14 N ATOM 1717 CA ASP A 106 21.520 -15.720 -36.107 1.00 64.14 C ATOM 1718 C ASP A 106 22.111 -16.873 -35.290 1.00 72.51 C ATOM 1719 O ASP A 106 23.272 -17.205 -35.420 1.00 25.40 O ATOM 1720 CB ASP A 106 22.616 -15.013 -36.906 1.00 32.24 C ATOM 1721 CG ASP A 106 22.150 -14.812 -38.349 1.00 5.02 C ATOM 1722 OD1 ASP A 106 21.782 -15.794 -38.974 1.00 41.11 O ATOM 1723 OD2 ASP A 106 22.166 -13.681 -38.805 1.00 14.22 O ATOM 0 H ASP A 106 21.098 -14.843 -34.204 1.00 4.14 H new ATOM 0 HA ASP A 106 20.755 -16.151 -36.752 1.00 64.14 H new ATOM 0 HB2 ASP A 106 22.848 -14.050 -36.451 1.00 32.24 H new ATOM 0 HB3 ASP A 106 23.532 -15.604 -36.888 1.00 32.24 H new ATOM 1728 N ASP A 107 21.322 -17.486 -34.453 1.00 41.31 N ATOM 1729 CA ASP A 107 21.839 -18.619 -33.631 1.00 61.11 C ATOM 1730 C ASP A 107 21.266 -19.945 -34.136 1.00 41.40 C ATOM 1731 O ASP A 107 20.279 -19.976 -34.843 1.00 11.10 O ATOM 1732 CB ASP A 107 21.353 -18.332 -32.210 1.00 64.43 C ATOM 1733 CG ASP A 107 22.419 -17.535 -31.458 1.00 31.45 C ATOM 1734 OD1 ASP A 107 23.255 -16.934 -32.114 1.00 24.21 O ATOM 1735 OD2 ASP A 107 22.385 -17.538 -30.239 1.00 20.51 O ATOM 0 H ASP A 107 20.341 -17.253 -34.301 1.00 41.31 H new ATOM 0 HA ASP A 107 22.925 -18.703 -33.682 1.00 61.11 H new ATOM 0 HB2 ASP A 107 20.419 -17.772 -32.240 1.00 64.43 H new ATOM 0 HB3 ASP A 107 21.147 -19.267 -31.689 1.00 64.43 H new ATOM 1740 N THR A 108 21.878 -21.042 -33.778 1.00 71.13 N ATOM 1741 CA THR A 108 21.366 -22.365 -34.239 1.00 0.11 C ATOM 1742 C THR A 108 21.982 -23.492 -33.406 1.00 1.14 C ATOM 1743 O THR A 108 23.033 -23.339 -32.815 1.00 24.01 O ATOM 1744 CB THR A 108 21.805 -22.475 -35.700 1.00 42.51 C ATOM 1745 OG1 THR A 108 21.685 -23.824 -36.125 1.00 21.10 O ATOM 1746 CG2 THR A 108 23.262 -22.023 -35.834 1.00 51.10 C ATOM 0 H THR A 108 22.709 -21.079 -33.187 1.00 71.13 H new ATOM 0 HA THR A 108 20.284 -22.448 -34.132 1.00 0.11 H new ATOM 0 HB THR A 108 21.173 -21.839 -36.320 1.00 42.51 H new ATOM 0 HG1 THR A 108 20.881 -23.923 -36.676 1.00 21.10 H new ATOM 0 HG21 THR A 108 23.573 -22.102 -36.876 1.00 51.10 H new ATOM 0 HG22 THR A 108 23.353 -20.988 -35.506 1.00 51.10 H new ATOM 0 HG23 THR A 108 23.898 -22.657 -35.216 1.00 51.10 H new ATOM 1754 N ASN A 109 21.336 -24.625 -33.357 1.00 23.01 N ATOM 1755 CA ASN A 109 21.883 -25.763 -32.564 1.00 61.04 C ATOM 1756 C ASN A 109 22.662 -26.715 -33.473 1.00 52.35 C ATOM 1757 O ASN A 109 22.852 -27.873 -33.162 1.00 34.22 O ATOM 1758 CB ASN A 109 20.655 -26.465 -31.981 1.00 12.32 C ATOM 1759 CG ASN A 109 21.096 -27.441 -30.889 1.00 3.21 C ATOM 1760 OD1 ASN A 109 22.144 -27.280 -30.298 1.00 3.14 O ATOM 1761 ND2 ASN A 109 20.332 -28.459 -30.597 1.00 72.11 N ATOM 0 H ASN A 109 20.453 -24.812 -33.832 1.00 23.01 H new ATOM 0 HA ASN A 109 22.572 -25.431 -31.787 1.00 61.04 H new ATOM 0 HB2 ASN A 109 19.964 -25.730 -31.569 1.00 12.32 H new ATOM 0 HB3 ASN A 109 20.121 -26.999 -32.767 1.00 12.32 H new ATOM 0 HD21 ASN A 109 20.616 -29.118 -29.873 1.00 72.11 H new ATOM 0 HD22 ASN A 109 19.451 -28.595 -31.093 1.00 72.11 H new ATOM 1768 N LYS A 110 23.114 -26.235 -34.601 1.00 53.03 N ATOM 1769 CA LYS A 110 23.879 -27.113 -35.532 1.00 13.40 C ATOM 1770 C LYS A 110 25.094 -26.362 -36.086 1.00 1.24 C ATOM 1771 O LYS A 110 25.207 -26.274 -37.298 1.00 23.00 O ATOM 1772 CB LYS A 110 22.896 -27.445 -36.654 1.00 5.43 C ATOM 1773 CG LYS A 110 22.189 -26.165 -37.107 1.00 31.44 C ATOM 1774 CD LYS A 110 21.522 -26.401 -38.465 1.00 50.32 C ATOM 1775 CE LYS A 110 22.586 -26.387 -39.568 1.00 0.52 C ATOM 1776 NZ LYS A 110 23.040 -27.802 -39.692 1.00 62.50 N ATOM 0 H LYS A 110 22.986 -25.274 -34.917 1.00 53.03 H new ATOM 0 HA LYS A 110 24.257 -28.010 -35.041 1.00 13.40 H new ATOM 0 HB2 LYS A 110 23.424 -27.898 -37.493 1.00 5.43 H new ATOM 0 HB3 LYS A 110 22.164 -28.174 -36.307 1.00 5.43 H new ATOM 0 HG2 LYS A 110 21.442 -25.869 -36.370 1.00 31.44 H new ATOM 0 HG3 LYS A 110 22.906 -25.347 -37.180 1.00 31.44 H new ATOM 0 HD2 LYS A 110 20.998 -27.357 -38.463 1.00 50.32 H new ATOM 0 HD3 LYS A 110 20.776 -25.629 -38.655 1.00 50.32 H new ATOM 0 HE2 LYS A 110 22.173 -26.022 -40.509 1.00 0.52 H new ATOM 0 HE3 LYS A 110 23.415 -25.729 -39.307 1.00 0.52 H new ATOM 0 HZ1 LYS A 110 24.034 -27.875 -39.395 1.00 62.50 H new ATOM 0 HZ2 LYS A 110 22.452 -28.410 -39.086 1.00 62.50 H new ATOM 0 HZ3 LYS A 110 22.951 -28.110 -40.681 1.00 62.50 H new TER 1790 LYS A 110