USER MOD reduce.3.24.130724 H: found=0, std=0, add=938, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 938 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 87 THR OG1 : rot -121:sc= 0.208 USER MOD Set 1.2: A 109 HIS : no HD1:sc= -1.03 K(o=-0.82,f=-6.4!) USER MOD Set 2.1: A 58 TYR OH : rot 180:sc= -0.899 USER MOD Set 2.2: A 74 TYR OH : rot 180:sc= -0.622 USER MOD Set 3.1: A 32 THR OG1 : rot -87:sc= 1.09 USER MOD Set 3.2: A 92 TYR OH : rot -101:sc= 0.244 USER MOD Set 4.1: A 29 ASN : amide:sc= -2.08 X(o=-1.8,f=-1.4) USER MOD Set 4.2: A 31 THR OG1 : rot 95:sc= 0.293 USER MOD Single : A 0 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot -29:sc= 0.0893 USER MOD Single : A 8 LYS NZ :NH3+ -162:sc= -0.0501 (180deg=-0.361) USER MOD Single : A -1 SER OG : rot 180:sc= 0 USER MOD Single : A -2 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -7.04! C(o=-7!,f=-10!) USER MOD Single : A 12 LYS NZ :NH3+ -161:sc= -1.69 (180deg=-2.36!) USER MOD Single : A 16 THR OG1 : rot -160:sc= 0.117 USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.889 USER MOD Single : A 22 THR OG1 : rot 48:sc= 0.347 USER MOD Single : A 25 HIS : no HE2:sc= -2.14 K(o=-2.1,f=-6.9!) USER MOD Single : A 27 LYS NZ :NH3+ -168:sc= -0.0165 (180deg=-0.256) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 MET CE :methyl 142:sc= -2.1! (180deg=-3.42) USER MOD Single : A 37 THR OG1 : rot -170:sc= 0.136 USER MOD Single : A 44 LYS NZ :NH3+ 149:sc= 0.0703 (180deg=0) USER MOD Single : A 48 SER OG : rot 52:sc= -0.678! USER MOD Single : A 56 CYS SG : rot 180:sc= -1.92! USER MOD Single : A 57 LYS NZ :NH3+ -175:sc= -1.68 (180deg=-1.83!) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.0377 USER MOD Single : A 63 SER OG : rot 41:sc= -1.04 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ -160:sc= -0.172 (180deg=-1.01) USER MOD Single : A 82 LYS NZ :NH3+ -167:sc= -0.0294 (180deg=-0.21) USER MOD Single : A 85 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 86 HIS : no HD1:sc= -7.58! C(o=-7.6!,f=-8.7!) USER MOD Single : A 93 THR OG1 : rot -100:sc= -3.84! USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 ASN : amide:sc= -1.28 K(o=-1.3,f=-4.9!) USER MOD Single : A 106 TYR OH : rot 30:sc= -0.73 USER MOD Single : A 107 THR OG1 : rot 137:sc= 1.24 USER MOD Single : A 111 ASN : amide:sc= -0.124 K(o=-0.12,f=-0.78) USER MOD Single : A 113 LYS NZ :NH3+ 165:sc= -0.0213 (180deg=-0.266) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -2 -2.382 -6.764 34.681 1.00 0.00 N ATOM 2 CA GLY A -2 -1.529 -7.932 34.325 1.00 0.00 C ATOM 3 C GLY A -2 -0.444 -7.575 33.329 1.00 0.00 C ATOM 4 O GLY A -2 0.215 -6.543 33.462 1.00 0.00 O ATOM 0 H1 GLY A -2 -3.108 -7.060 35.364 1.00 0.00 H new ATOM 0 H2 GLY A -2 -1.792 -6.019 35.104 1.00 0.00 H new ATOM 0 H3 GLY A -2 -2.842 -6.396 33.824 1.00 0.00 H new ATOM 0 HA2 GLY A -2 -1.070 -8.332 35.229 1.00 0.00 H new ATOM 0 HA3 GLY A -2 -2.155 -8.721 33.909 1.00 0.00 H new ATOM 10 N SER A -1 -0.257 -8.431 32.329 1.00 0.00 N ATOM 11 CA SER A -1 0.757 -8.201 31.305 1.00 0.00 C ATOM 12 C SER A -1 0.317 -8.778 29.963 1.00 0.00 C ATOM 13 O SER A -1 0.470 -8.139 28.922 1.00 0.00 O ATOM 14 CB SER A -1 2.089 -8.824 31.729 1.00 0.00 C ATOM 15 OG SER A -1 3.086 -8.614 30.745 1.00 0.00 O ATOM 0 H SER A -1 -0.794 -9.290 32.206 1.00 0.00 H new ATOM 0 HA SER A -1 0.886 -7.125 31.192 1.00 0.00 H new ATOM 0 HB2 SER A -1 2.411 -8.391 32.676 1.00 0.00 H new ATOM 0 HB3 SER A -1 1.957 -9.893 31.896 1.00 0.00 H new ATOM 0 HG SER A -1 3.928 -9.020 31.040 1.00 0.00 H new ATOM 21 N HIS A 0 -0.231 -9.989 29.997 1.00 0.00 N ATOM 22 CA HIS A 0 -0.694 -10.652 28.783 1.00 0.00 C ATOM 23 C HIS A 0 -2.127 -10.246 28.455 1.00 0.00 C ATOM 24 O HIS A 0 -3.046 -10.486 29.238 1.00 0.00 O ATOM 25 CB HIS A 0 -0.605 -12.172 28.942 1.00 0.00 C ATOM 26 CG HIS A 0 -1.019 -12.929 27.719 1.00 0.00 C ATOM 27 ND1 HIS A 0 -2.261 -13.510 27.576 1.00 0.00 N ATOM 28 CD2 HIS A 0 -0.347 -13.201 26.575 1.00 0.00 C ATOM 29 CE1 HIS A 0 -2.335 -14.108 26.400 1.00 0.00 C ATOM 30 NE2 HIS A 0 -1.186 -13.934 25.773 1.00 0.00 N ATOM 0 H HIS A 0 -0.365 -10.530 30.851 1.00 0.00 H new ATOM 0 HA HIS A 0 -0.050 -10.341 27.960 1.00 0.00 H new ATOM 0 HB2 HIS A 0 0.420 -12.443 29.197 1.00 0.00 H new ATOM 0 HB3 HIS A 0 -1.233 -12.479 29.778 1.00 0.00 H new ATOM 0 HD2 HIS A 0 0.662 -12.897 26.338 1.00 0.00 H new ATOM 0 HE1 HIS A 0 -3.189 -14.647 26.017 1.00 0.00 H new ATOM 0 HE2 HIS A 0 -0.959 -14.287 24.843 1.00 0.00 H new ATOM 39 N MET A 1 -2.310 -9.629 27.291 1.00 0.00 N ATOM 40 CA MET A 1 -3.631 -9.189 26.856 1.00 0.00 C ATOM 41 C MET A 1 -4.120 -10.018 25.673 1.00 0.00 C ATOM 42 O MET A 1 -3.391 -10.861 25.151 1.00 0.00 O ATOM 43 CB MET A 1 -3.599 -7.707 26.477 1.00 0.00 C ATOM 44 CG MET A 1 -3.168 -6.797 27.615 1.00 0.00 C ATOM 45 SD MET A 1 -4.265 -6.904 29.043 1.00 0.00 S ATOM 46 CE MET A 1 -3.477 -5.748 30.163 1.00 0.00 C ATOM 0 H MET A 1 -1.559 -9.423 26.632 1.00 0.00 H new ATOM 0 HA MET A 1 -4.324 -9.330 27.685 1.00 0.00 H new ATOM 0 HB2 MET A 1 -2.919 -7.570 25.636 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.590 -7.406 26.138 1.00 0.00 H new ATOM 0 HG2 MET A 1 -2.155 -7.058 27.920 1.00 0.00 H new ATOM 0 HG3 MET A 1 -3.139 -5.767 27.260 1.00 0.00 H new ATOM 0 HE1 MET A 1 -4.040 -5.703 31.095 1.00 0.00 H new ATOM 0 HE2 MET A 1 -2.459 -6.078 30.370 1.00 0.00 H new ATOM 0 HE3 MET A 1 -3.452 -4.759 29.706 1.00 0.00 H new ATOM 56 N ILE A 2 -5.359 -9.774 25.257 1.00 0.00 N ATOM 57 CA ILE A 2 -5.946 -10.497 24.135 1.00 0.00 C ATOM 58 C ILE A 2 -6.206 -9.566 22.956 1.00 0.00 C ATOM 59 O ILE A 2 -6.777 -9.974 21.945 1.00 0.00 O ATOM 60 CB ILE A 2 -7.267 -11.180 24.537 1.00 0.00 C ATOM 61 CG1 ILE A 2 -8.293 -10.134 24.983 1.00 0.00 C ATOM 62 CG2 ILE A 2 -7.019 -12.198 25.641 1.00 0.00 C ATOM 63 CD1 ILE A 2 -9.660 -10.711 25.285 1.00 0.00 C ATOM 0 H ILE A 2 -5.976 -9.081 25.681 1.00 0.00 H new ATOM 0 HA ILE A 2 -5.226 -11.260 23.839 1.00 0.00 H new ATOM 0 HB ILE A 2 -7.669 -11.705 23.670 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -7.918 -9.627 25.872 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -8.391 -9.379 24.203 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -7.961 -12.673 25.916 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -6.320 -12.956 25.287 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -6.599 -11.695 26.512 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -10.332 -9.911 25.594 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -10.057 -11.193 24.392 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -9.576 -11.445 26.087 1.00 0.00 H new ATOM 75 N ALA A 3 -5.783 -8.312 23.094 1.00 0.00 N ATOM 76 CA ALA A 3 -5.969 -7.322 22.041 1.00 0.00 C ATOM 77 C ALA A 3 -5.336 -7.786 20.730 1.00 0.00 C ATOM 78 O ALA A 3 -4.120 -7.958 20.652 1.00 0.00 O ATOM 79 CB ALA A 3 -5.379 -5.986 22.467 1.00 0.00 C ATOM 0 H ALA A 3 -5.309 -7.959 23.925 1.00 0.00 H new ATOM 0 HA ALA A 3 -7.039 -7.201 21.874 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -5.524 -5.254 21.672 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -5.877 -5.641 23.373 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -4.313 -6.104 22.661 1.00 0.00 H new ATOM 85 N PRO A 4 -6.153 -8.000 19.679 1.00 0.00 N ATOM 86 CA PRO A 4 -5.655 -8.446 18.372 1.00 0.00 C ATOM 87 C PRO A 4 -4.538 -7.553 17.841 1.00 0.00 C ATOM 88 O PRO A 4 -4.770 -6.399 17.479 1.00 0.00 O ATOM 89 CB PRO A 4 -6.887 -8.352 17.469 1.00 0.00 C ATOM 90 CG PRO A 4 -8.045 -8.485 18.395 1.00 0.00 C ATOM 91 CD PRO A 4 -7.619 -7.830 19.680 1.00 0.00 C ATOM 0 HA PRO A 4 -5.222 -9.445 18.422 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -6.915 -7.403 16.934 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -6.888 -9.141 16.717 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -8.931 -8.001 17.985 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -8.299 -9.533 18.556 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -7.902 -6.778 19.708 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -8.078 -8.307 20.546 1.00 0.00 H new ATOM 99 N LEU A 5 -3.324 -8.094 17.801 1.00 0.00 N ATOM 100 CA LEU A 5 -2.169 -7.350 17.314 1.00 0.00 C ATOM 101 C LEU A 5 -1.131 -8.288 16.709 1.00 0.00 C ATOM 102 O LEU A 5 -0.113 -7.845 16.178 1.00 0.00 O ATOM 103 CB LEU A 5 -1.547 -6.529 18.449 1.00 0.00 C ATOM 104 CG LEU A 5 -1.230 -7.307 19.730 1.00 0.00 C ATOM 105 CD1 LEU A 5 0.069 -8.086 19.582 1.00 0.00 C ATOM 106 CD2 LEU A 5 -1.144 -6.360 20.917 1.00 0.00 C ATOM 0 H LEU A 5 -3.115 -9.046 18.101 1.00 0.00 H new ATOM 0 HA LEU A 5 -2.508 -6.670 16.533 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -0.626 -6.075 18.083 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -2.226 -5.714 18.699 1.00 0.00 H new ATOM 0 HG LEU A 5 -2.038 -8.018 19.906 1.00 0.00 H new ATOM 0 HD11 LEU A 5 0.274 -8.631 20.504 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -0.022 -8.792 18.756 1.00 0.00 H new ATOM 0 HD13 LEU A 5 0.887 -7.394 19.380 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -0.918 -6.928 21.820 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -0.356 -5.628 20.742 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -2.096 -5.845 21.041 1.00 0.00 H new ATOM 118 N SER A 6 -1.397 -9.588 16.795 1.00 0.00 N ATOM 119 CA SER A 6 -0.487 -10.593 16.258 1.00 0.00 C ATOM 120 C SER A 6 -1.257 -11.809 15.754 1.00 0.00 C ATOM 121 O SER A 6 -0.711 -12.646 15.035 1.00 0.00 O ATOM 122 CB SER A 6 0.523 -11.020 17.325 1.00 0.00 C ATOM 123 OG SER A 6 1.415 -11.999 16.821 1.00 0.00 O ATOM 0 H SER A 6 -2.236 -9.970 17.232 1.00 0.00 H new ATOM 0 HA SER A 6 0.049 -10.151 15.418 1.00 0.00 H new ATOM 0 HB2 SER A 6 1.086 -10.151 17.665 1.00 0.00 H new ATOM 0 HB3 SER A 6 -0.005 -11.417 18.192 1.00 0.00 H new ATOM 0 HG SER A 6 0.965 -12.526 16.128 1.00 0.00 H new ATOM 129 N VAL A 7 -2.527 -11.899 16.137 1.00 0.00 N ATOM 130 CA VAL A 7 -3.371 -13.015 15.724 1.00 0.00 C ATOM 131 C VAL A 7 -3.898 -12.800 14.312 1.00 0.00 C ATOM 132 O VAL A 7 -4.461 -13.707 13.697 1.00 0.00 O ATOM 133 CB VAL A 7 -4.556 -13.211 16.690 1.00 0.00 C ATOM 134 CG1 VAL A 7 -5.296 -14.504 16.384 1.00 0.00 C ATOM 135 CG2 VAL A 7 -4.078 -13.191 18.134 1.00 0.00 C ATOM 0 H VAL A 7 -2.994 -11.214 16.732 1.00 0.00 H new ATOM 0 HA VAL A 7 -2.753 -13.913 15.744 1.00 0.00 H new ATOM 0 HB VAL A 7 -5.251 -12.384 16.549 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -6.128 -14.620 17.079 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -5.677 -14.472 15.363 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -4.614 -15.348 16.490 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.929 -13.331 18.801 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -3.359 -13.995 18.290 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -3.604 -12.233 18.347 1.00 0.00 H new ATOM 145 N LYS A 8 -3.699 -11.594 13.802 1.00 0.00 N ATOM 146 CA LYS A 8 -4.148 -11.240 12.459 1.00 0.00 C ATOM 147 C LYS A 8 -2.957 -11.020 11.545 1.00 0.00 C ATOM 148 O LYS A 8 -3.107 -10.717 10.361 1.00 0.00 O ATOM 149 CB LYS A 8 -5.013 -9.981 12.501 1.00 0.00 C ATOM 150 CG LYS A 8 -6.059 -9.992 13.605 1.00 0.00 C ATOM 151 CD LYS A 8 -6.827 -11.303 13.642 1.00 0.00 C ATOM 152 CE LYS A 8 -7.708 -11.474 12.415 1.00 0.00 C ATOM 153 NZ LYS A 8 -8.715 -10.385 12.298 1.00 0.00 N ATOM 0 H LYS A 8 -3.227 -10.839 14.299 1.00 0.00 H new ATOM 0 HA LYS A 8 -4.745 -12.064 12.068 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -4.368 -9.112 12.633 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -5.514 -9.863 11.540 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -5.574 -9.828 14.567 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -6.755 -9.167 13.454 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -6.125 -12.134 13.704 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -7.443 -11.338 14.540 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -7.085 -11.490 11.521 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -8.218 -12.436 12.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -9.474 -10.682 11.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -9.117 -10.182 13.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -8.258 -9.529 11.924 1.00 0.00 H new ATOM 167 N ASP A 9 -1.779 -11.185 12.118 1.00 0.00 N ATOM 168 CA ASP A 9 -0.525 -11.006 11.396 1.00 0.00 C ATOM 169 C ASP A 9 -0.483 -9.654 10.701 1.00 0.00 C ATOM 170 O ASP A 9 -0.986 -9.494 9.589 1.00 0.00 O ATOM 171 CB ASP A 9 -0.332 -12.129 10.383 1.00 0.00 C ATOM 172 CG ASP A 9 0.808 -11.856 9.420 1.00 0.00 C ATOM 173 OD1 ASP A 9 1.968 -12.157 9.772 1.00 0.00 O ATOM 174 OD2 ASP A 9 0.540 -11.342 8.314 1.00 0.00 O ATOM 0 H ASP A 9 -1.661 -11.447 13.097 1.00 0.00 H new ATOM 0 HA ASP A 9 0.290 -11.040 12.119 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -0.140 -13.062 10.913 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -1.254 -12.267 9.819 1.00 0.00 H new ATOM 179 N ASN A 10 0.121 -8.682 11.369 1.00 0.00 N ATOM 180 CA ASN A 10 0.227 -7.339 10.835 1.00 0.00 C ATOM 181 C ASN A 10 1.648 -6.801 10.928 1.00 0.00 C ATOM 182 O ASN A 10 2.464 -7.006 10.029 1.00 0.00 O ATOM 183 CB ASN A 10 -0.733 -6.404 11.571 1.00 0.00 C ATOM 184 CG ASN A 10 -0.862 -6.704 13.049 1.00 0.00 C ATOM 185 OD1 ASN A 10 -0.748 -7.849 13.485 1.00 0.00 O ATOM 186 ND2 ASN A 10 -1.111 -5.663 13.832 1.00 0.00 N ATOM 0 H ASN A 10 0.547 -8.804 12.288 1.00 0.00 H new ATOM 0 HA ASN A 10 -0.042 -7.383 9.780 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -0.392 -5.376 11.446 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -1.718 -6.471 11.108 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -1.216 -5.795 14.838 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -1.198 -4.730 13.428 1.00 0.00 H new ATOM 193 N ASP A 11 1.929 -6.111 12.023 1.00 0.00 N ATOM 194 CA ASP A 11 3.235 -5.521 12.253 1.00 0.00 C ATOM 195 C ASP A 11 4.342 -6.560 12.159 1.00 0.00 C ATOM 196 O ASP A 11 4.607 -7.293 13.112 1.00 0.00 O ATOM 197 CB ASP A 11 3.272 -4.846 13.620 1.00 0.00 C ATOM 198 CG ASP A 11 2.225 -3.760 13.765 1.00 0.00 C ATOM 199 OD1 ASP A 11 1.034 -4.101 13.928 1.00 0.00 O ATOM 200 OD2 ASP A 11 2.594 -2.568 13.715 1.00 0.00 O ATOM 0 H ASP A 11 1.259 -5.946 12.774 1.00 0.00 H new ATOM 0 HA ASP A 11 3.405 -4.777 11.475 1.00 0.00 H new ATOM 0 HB2 ASP A 11 3.120 -5.597 14.396 1.00 0.00 H new ATOM 0 HB3 ASP A 11 4.260 -4.416 13.782 1.00 0.00 H new ATOM 205 N LYS A 12 4.973 -6.624 10.997 1.00 0.00 N ATOM 206 CA LYS A 12 6.070 -7.550 10.768 1.00 0.00 C ATOM 207 C LYS A 12 7.403 -6.819 10.907 1.00 0.00 C ATOM 208 O LYS A 12 7.888 -6.194 9.963 1.00 0.00 O ATOM 209 CB LYS A 12 5.945 -8.190 9.385 1.00 0.00 C ATOM 210 CG LYS A 12 7.201 -8.915 8.943 1.00 0.00 C ATOM 211 CD LYS A 12 6.999 -9.635 7.621 1.00 0.00 C ATOM 212 CE LYS A 12 8.309 -10.190 7.090 1.00 0.00 C ATOM 213 NZ LYS A 12 8.847 -11.275 7.958 1.00 0.00 N ATOM 0 H LYS A 12 4.742 -6.041 10.193 1.00 0.00 H new ATOM 0 HA LYS A 12 6.028 -8.343 11.514 1.00 0.00 H new ATOM 0 HB2 LYS A 12 5.112 -8.893 9.392 1.00 0.00 H new ATOM 0 HB3 LYS A 12 5.704 -7.417 8.655 1.00 0.00 H new ATOM 0 HG2 LYS A 12 8.019 -8.201 8.847 1.00 0.00 H new ATOM 0 HG3 LYS A 12 7.494 -9.634 9.708 1.00 0.00 H new ATOM 0 HD2 LYS A 12 6.284 -10.447 7.752 1.00 0.00 H new ATOM 0 HD3 LYS A 12 6.570 -8.948 6.892 1.00 0.00 H new ATOM 0 HE2 LYS A 12 8.158 -10.574 6.081 1.00 0.00 H new ATOM 0 HE3 LYS A 12 9.041 -9.386 7.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 9.860 -11.404 7.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 8.716 -11.017 8.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 8.341 -12.161 7.760 1.00 0.00 H new ATOM 227 N TRP A 13 7.981 -6.898 12.099 1.00 0.00 N ATOM 228 CA TRP A 13 9.240 -6.239 12.401 1.00 0.00 C ATOM 229 C TRP A 13 10.426 -7.084 11.949 1.00 0.00 C ATOM 230 O TRP A 13 10.794 -8.056 12.610 1.00 0.00 O ATOM 231 CB TRP A 13 9.305 -5.962 13.905 1.00 0.00 C ATOM 232 CG TRP A 13 7.973 -5.553 14.477 1.00 0.00 C ATOM 233 CD1 TRP A 13 6.914 -6.373 14.748 1.00 0.00 C ATOM 234 CD2 TRP A 13 7.552 -4.228 14.834 1.00 0.00 C ATOM 235 NE1 TRP A 13 5.857 -5.641 15.231 1.00 0.00 N ATOM 236 CE2 TRP A 13 6.223 -4.324 15.298 1.00 0.00 C ATOM 237 CE3 TRP A 13 8.163 -2.972 14.806 1.00 0.00 C ATOM 238 CZ2 TRP A 13 5.496 -3.211 15.724 1.00 0.00 C ATOM 239 CZ3 TRP A 13 7.444 -1.871 15.234 1.00 0.00 C ATOM 240 CH2 TRP A 13 6.123 -1.996 15.684 1.00 0.00 C ATOM 0 H TRP A 13 7.588 -7.421 12.882 1.00 0.00 H new ATOM 0 HA TRP A 13 9.293 -5.297 11.856 1.00 0.00 H new ATOM 0 HB2 TRP A 13 9.659 -6.855 14.420 1.00 0.00 H new ATOM 0 HB3 TRP A 13 10.035 -5.175 14.094 1.00 0.00 H new ATOM 0 HD1 TRP A 13 6.909 -7.443 14.603 1.00 0.00 H new ATOM 0 HE1 TRP A 13 4.947 -6.018 15.497 1.00 0.00 H new ATOM 0 HE3 TRP A 13 9.179 -2.863 14.456 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 4.478 -3.306 16.072 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 7.909 -0.897 15.221 1.00 0.00 H new ATOM 0 HH2 TRP A 13 5.589 -1.114 16.006 1.00 0.00 H new ATOM 251 N VAL A 14 11.024 -6.708 10.815 1.00 0.00 N ATOM 252 CA VAL A 14 12.163 -7.454 10.275 1.00 0.00 C ATOM 253 C VAL A 14 13.143 -6.543 9.550 1.00 0.00 C ATOM 254 O VAL A 14 13.043 -5.321 9.621 1.00 0.00 O ATOM 255 CB VAL A 14 11.707 -8.556 9.299 1.00 0.00 C ATOM 256 CG1 VAL A 14 10.829 -9.577 10.007 1.00 0.00 C ATOM 257 CG2 VAL A 14 10.982 -7.948 8.108 1.00 0.00 C ATOM 0 H VAL A 14 10.742 -5.901 10.259 1.00 0.00 H new ATOM 0 HA VAL A 14 12.660 -7.908 11.132 1.00 0.00 H new ATOM 0 HB VAL A 14 12.592 -9.074 8.930 1.00 0.00 H new ATOM 0 HG11 VAL A 14 10.520 -10.345 9.298 1.00 0.00 H new ATOM 0 HG12 VAL A 14 11.390 -10.038 10.819 1.00 0.00 H new ATOM 0 HG13 VAL A 14 9.947 -9.080 10.412 1.00 0.00 H new ATOM 0 HG21 VAL A 14 10.668 -8.741 7.430 1.00 0.00 H new ATOM 0 HG22 VAL A 14 10.106 -7.400 8.456 1.00 0.00 H new ATOM 0 HG23 VAL A 14 11.652 -7.267 7.583 1.00 0.00 H new ATOM 267 N ASP A 15 14.093 -7.165 8.860 1.00 0.00 N ATOM 268 CA ASP A 15 15.109 -6.449 8.101 1.00 0.00 C ATOM 269 C ASP A 15 14.794 -6.507 6.608 1.00 0.00 C ATOM 270 O ASP A 15 13.760 -7.047 6.213 1.00 0.00 O ATOM 271 CB ASP A 15 16.478 -7.064 8.382 1.00 0.00 C ATOM 272 CG ASP A 15 17.234 -6.330 9.471 1.00 0.00 C ATOM 273 OD1 ASP A 15 16.969 -6.599 10.662 1.00 0.00 O ATOM 274 OD2 ASP A 15 18.093 -5.488 9.134 1.00 0.00 O ATOM 0 H ASP A 15 14.179 -8.180 8.812 1.00 0.00 H new ATOM 0 HA ASP A 15 15.117 -5.403 8.407 1.00 0.00 H new ATOM 0 HB2 ASP A 15 16.351 -8.107 8.673 1.00 0.00 H new ATOM 0 HB3 ASP A 15 17.070 -7.058 7.467 1.00 0.00 H new ATOM 279 N THR A 16 15.682 -5.959 5.777 1.00 0.00 N ATOM 280 CA THR A 16 15.456 -5.966 4.334 1.00 0.00 C ATOM 281 C THR A 16 16.657 -5.426 3.556 1.00 0.00 C ATOM 282 O THR A 16 17.700 -5.116 4.130 1.00 0.00 O ATOM 283 CB THR A 16 14.212 -5.132 3.968 1.00 0.00 C ATOM 284 OG1 THR A 16 13.639 -5.611 2.746 1.00 0.00 O ATOM 285 CG2 THR A 16 14.557 -3.658 3.821 1.00 0.00 C ATOM 0 H THR A 16 16.550 -5.512 6.073 1.00 0.00 H new ATOM 0 HA THR A 16 15.302 -7.008 4.054 1.00 0.00 H new ATOM 0 HB THR A 16 13.491 -5.239 4.779 1.00 0.00 H new ATOM 0 HG1 THR A 16 13.070 -4.915 2.356 1.00 0.00 H new ATOM 0 HG21 THR A 16 13.658 -3.098 3.563 1.00 0.00 H new ATOM 0 HG22 THR A 16 14.960 -3.283 4.762 1.00 0.00 H new ATOM 0 HG23 THR A 16 15.300 -3.535 3.033 1.00 0.00 H new ATOM 293 N HIS A 17 16.484 -5.320 2.240 1.00 0.00 N ATOM 294 CA HIS A 17 17.523 -4.810 1.353 1.00 0.00 C ATOM 295 C HIS A 17 17.054 -3.518 0.687 1.00 0.00 C ATOM 296 O HIS A 17 16.098 -2.896 1.143 1.00 0.00 O ATOM 297 CB HIS A 17 17.872 -5.859 0.296 1.00 0.00 C ATOM 298 CG HIS A 17 18.879 -6.865 0.759 1.00 0.00 C ATOM 299 ND1 HIS A 17 18.541 -8.145 1.146 1.00 0.00 N ATOM 300 CD2 HIS A 17 20.223 -6.776 0.895 1.00 0.00 C ATOM 301 CE1 HIS A 17 19.633 -8.799 1.499 1.00 0.00 C ATOM 302 NE2 HIS A 17 20.667 -7.991 1.356 1.00 0.00 N ATOM 0 H HIS A 17 15.623 -5.584 1.762 1.00 0.00 H new ATOM 0 HA HIS A 17 18.417 -4.596 1.939 1.00 0.00 H new ATOM 0 HB2 HIS A 17 16.962 -6.379 -0.002 1.00 0.00 H new ATOM 0 HB3 HIS A 17 18.256 -5.355 -0.591 1.00 0.00 H new ATOM 0 HD2 HIS A 17 20.833 -5.911 0.681 1.00 0.00 H new ATOM 0 HE1 HIS A 17 19.673 -9.821 1.846 1.00 0.00 H new ATOM 0 HE2 HIS A 17 21.638 -8.230 1.556 1.00 0.00 H new ATOM 311 N VAL A 18 17.719 -3.115 -0.390 1.00 0.00 N ATOM 312 CA VAL A 18 17.347 -1.888 -1.089 1.00 0.00 C ATOM 313 C VAL A 18 16.482 -2.173 -2.313 1.00 0.00 C ATOM 314 O VAL A 18 16.827 -3.000 -3.157 1.00 0.00 O ATOM 315 CB VAL A 18 18.586 -1.083 -1.526 1.00 0.00 C ATOM 316 CG1 VAL A 18 18.169 0.234 -2.166 1.00 0.00 C ATOM 317 CG2 VAL A 18 19.509 -0.840 -0.341 1.00 0.00 C ATOM 0 H VAL A 18 18.511 -3.613 -0.796 1.00 0.00 H new ATOM 0 HA VAL A 18 16.771 -1.297 -0.377 1.00 0.00 H new ATOM 0 HB VAL A 18 19.132 -1.664 -2.269 1.00 0.00 H new ATOM 0 HG11 VAL A 18 19.057 0.789 -2.468 1.00 0.00 H new ATOM 0 HG12 VAL A 18 17.551 0.034 -3.041 1.00 0.00 H new ATOM 0 HG13 VAL A 18 17.600 0.824 -1.447 1.00 0.00 H new ATOM 0 HG21 VAL A 18 20.379 -0.270 -0.668 1.00 0.00 H new ATOM 0 HG22 VAL A 18 18.976 -0.279 0.427 1.00 0.00 H new ATOM 0 HG23 VAL A 18 19.835 -1.796 0.068 1.00 0.00 H new ATOM 327 N GLY A 19 15.355 -1.472 -2.394 1.00 0.00 N ATOM 328 CA GLY A 19 14.439 -1.633 -3.509 1.00 0.00 C ATOM 329 C GLY A 19 13.890 -3.037 -3.634 1.00 0.00 C ATOM 330 O GLY A 19 13.334 -3.393 -4.672 1.00 0.00 O ATOM 0 H GLY A 19 15.058 -0.788 -1.699 1.00 0.00 H new ATOM 0 HA2 GLY A 19 13.610 -0.935 -3.393 1.00 0.00 H new ATOM 0 HA3 GLY A 19 14.952 -1.367 -4.433 1.00 0.00 H new ATOM 334 N LYS A 20 14.052 -3.844 -2.589 1.00 0.00 N ATOM 335 CA LYS A 20 13.540 -5.205 -2.606 1.00 0.00 C ATOM 336 C LYS A 20 12.021 -5.175 -2.698 1.00 0.00 C ATOM 337 O LYS A 20 11.324 -5.257 -1.686 1.00 0.00 O ATOM 338 CB LYS A 20 13.988 -5.965 -1.357 1.00 0.00 C ATOM 339 CG LYS A 20 14.415 -7.390 -1.638 1.00 0.00 C ATOM 340 CD LYS A 20 15.828 -7.419 -2.173 1.00 0.00 C ATOM 341 CE LYS A 20 16.440 -8.806 -2.076 1.00 0.00 C ATOM 342 NZ LYS A 20 17.832 -8.839 -2.606 1.00 0.00 N ATOM 0 H LYS A 20 14.530 -3.579 -1.728 1.00 0.00 H new ATOM 0 HA LYS A 20 13.940 -5.725 -3.477 1.00 0.00 H new ATOM 0 HB2 LYS A 20 14.817 -5.430 -0.894 1.00 0.00 H new ATOM 0 HB3 LYS A 20 13.172 -5.974 -0.635 1.00 0.00 H new ATOM 0 HG2 LYS A 20 14.353 -7.982 -0.725 1.00 0.00 H new ATOM 0 HG3 LYS A 20 13.736 -7.844 -2.360 1.00 0.00 H new ATOM 0 HD2 LYS A 20 15.830 -7.093 -3.213 1.00 0.00 H new ATOM 0 HD3 LYS A 20 16.442 -6.711 -1.616 1.00 0.00 H new ATOM 0 HE2 LYS A 20 16.440 -9.130 -1.035 1.00 0.00 H new ATOM 0 HE3 LYS A 20 15.824 -9.514 -2.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 18.213 -9.803 -2.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 17.829 -8.554 -3.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 18.427 -8.183 -2.061 1.00 0.00 H new ATOM 356 N THR A 21 11.521 -5.040 -3.921 1.00 0.00 N ATOM 357 CA THR A 21 10.089 -4.968 -4.172 1.00 0.00 C ATOM 358 C THR A 21 9.329 -6.057 -3.428 1.00 0.00 C ATOM 359 O THR A 21 9.316 -7.217 -3.842 1.00 0.00 O ATOM 360 CB THR A 21 9.777 -5.080 -5.673 1.00 0.00 C ATOM 361 OG1 THR A 21 10.695 -4.281 -6.428 1.00 0.00 O ATOM 362 CG2 THR A 21 8.353 -4.627 -5.958 1.00 0.00 C ATOM 0 H THR A 21 12.095 -4.978 -4.762 1.00 0.00 H new ATOM 0 HA THR A 21 9.762 -3.995 -3.806 1.00 0.00 H new ATOM 0 HB THR A 21 9.881 -6.124 -5.968 1.00 0.00 H new ATOM 0 HG1 THR A 21 10.489 -4.360 -7.383 1.00 0.00 H new ATOM 0 HG21 THR A 21 8.150 -4.713 -7.026 1.00 0.00 H new ATOM 0 HG22 THR A 21 7.654 -5.254 -5.404 1.00 0.00 H new ATOM 0 HG23 THR A 21 8.233 -3.589 -5.649 1.00 0.00 H new ATOM 370 N THR A 22 8.700 -5.673 -2.324 1.00 0.00 N ATOM 371 CA THR A 22 7.923 -6.608 -1.525 1.00 0.00 C ATOM 372 C THR A 22 6.452 -6.530 -1.900 1.00 0.00 C ATOM 373 O THR A 22 5.735 -5.619 -1.480 1.00 0.00 O ATOM 374 CB THR A 22 8.089 -6.339 -0.015 1.00 0.00 C ATOM 375 OG1 THR A 22 9.464 -6.495 0.360 1.00 0.00 O ATOM 376 CG2 THR A 22 7.225 -7.284 0.808 1.00 0.00 C ATOM 0 H THR A 22 8.714 -4.719 -1.963 1.00 0.00 H new ATOM 0 HA THR A 22 8.299 -7.609 -1.736 1.00 0.00 H new ATOM 0 HB THR A 22 7.768 -5.317 0.185 1.00 0.00 H new ATOM 0 HG1 THR A 22 10.033 -6.005 -0.270 1.00 0.00 H new ATOM 0 HG21 THR A 22 7.362 -7.072 1.868 1.00 0.00 H new ATOM 0 HG22 THR A 22 6.177 -7.144 0.542 1.00 0.00 H new ATOM 0 HG23 THR A 22 7.516 -8.314 0.604 1.00 0.00 H new ATOM 384 N GLU A 23 6.023 -7.486 -2.714 1.00 0.00 N ATOM 385 CA GLU A 23 4.652 -7.559 -3.171 1.00 0.00 C ATOM 386 C GLU A 23 3.762 -8.207 -2.124 1.00 0.00 C ATOM 387 O GLU A 23 4.085 -9.265 -1.585 1.00 0.00 O ATOM 388 CB GLU A 23 4.600 -8.358 -4.465 1.00 0.00 C ATOM 389 CG GLU A 23 3.222 -8.402 -5.088 1.00 0.00 C ATOM 390 CD GLU A 23 3.238 -8.951 -6.501 1.00 0.00 C ATOM 391 OE1 GLU A 23 3.400 -10.179 -6.659 1.00 0.00 O ATOM 392 OE2 GLU A 23 3.088 -8.153 -7.450 1.00 0.00 O ATOM 0 H GLU A 23 6.621 -8.231 -3.073 1.00 0.00 H new ATOM 0 HA GLU A 23 4.284 -6.548 -3.345 1.00 0.00 H new ATOM 0 HB2 GLU A 23 5.300 -7.925 -5.179 1.00 0.00 H new ATOM 0 HB3 GLU A 23 4.935 -9.377 -4.268 1.00 0.00 H new ATOM 0 HG2 GLU A 23 2.568 -9.017 -4.471 1.00 0.00 H new ATOM 0 HG3 GLU A 23 2.799 -7.397 -5.097 1.00 0.00 H new ATOM 399 N ILE A 24 2.637 -7.564 -1.843 1.00 0.00 N ATOM 400 CA ILE A 24 1.700 -8.076 -0.861 1.00 0.00 C ATOM 401 C ILE A 24 0.264 -7.983 -1.348 1.00 0.00 C ATOM 402 O ILE A 24 -0.325 -6.901 -1.376 1.00 0.00 O ATOM 403 CB ILE A 24 1.816 -7.311 0.464 1.00 0.00 C ATOM 404 CG1 ILE A 24 3.265 -7.315 0.954 1.00 0.00 C ATOM 405 CG2 ILE A 24 0.885 -7.918 1.506 1.00 0.00 C ATOM 406 CD1 ILE A 24 3.472 -6.587 2.265 1.00 0.00 C ATOM 0 H ILE A 24 2.354 -6.688 -2.282 1.00 0.00 H new ATOM 0 HA ILE A 24 1.957 -9.124 -0.707 1.00 0.00 H new ATOM 0 HB ILE A 24 1.516 -6.276 0.302 1.00 0.00 H new ATOM 0 HG12 ILE A 24 3.597 -8.347 1.067 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.897 -6.858 0.192 1.00 0.00 H new ATOM 0 HG21 ILE A 24 0.977 -7.366 2.441 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -0.144 -7.862 1.151 1.00 0.00 H new ATOM 0 HG23 ILE A 24 1.155 -8.961 1.672 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.524 -6.634 2.545 1.00 0.00 H new ATOM 0 HD12 ILE A 24 3.173 -5.545 2.154 1.00 0.00 H new ATOM 0 HD13 ILE A 24 2.868 -7.057 3.041 1.00 0.00 H new ATOM 418 N HIS A 25 -0.287 -9.122 -1.742 1.00 0.00 N ATOM 419 CA HIS A 25 -1.664 -9.188 -2.192 1.00 0.00 C ATOM 420 C HIS A 25 -2.575 -9.390 -0.990 1.00 0.00 C ATOM 421 O HIS A 25 -2.705 -10.502 -0.477 1.00 0.00 O ATOM 422 CB HIS A 25 -1.860 -10.335 -3.177 1.00 0.00 C ATOM 423 CG HIS A 25 -0.700 -10.557 -4.093 1.00 0.00 C ATOM 424 ND1 HIS A 25 0.050 -11.714 -4.091 1.00 0.00 N ATOM 425 CD2 HIS A 25 -0.171 -9.771 -5.060 1.00 0.00 C ATOM 426 CE1 HIS A 25 0.990 -11.629 -5.014 1.00 0.00 C ATOM 427 NE2 HIS A 25 0.878 -10.460 -5.617 1.00 0.00 N ATOM 0 H HIS A 25 0.204 -10.016 -1.758 1.00 0.00 H new ATOM 0 HA HIS A 25 -1.911 -8.254 -2.697 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -2.049 -11.252 -2.618 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -2.749 -10.138 -3.775 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -0.098 -12.511 -3.473 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -0.511 -8.785 -5.341 1.00 0.00 H new ATOM 0 HE1 HIS A 25 1.726 -12.387 -5.238 1.00 0.00 H new ATOM 436 N LEU A 26 -3.199 -8.314 -0.543 1.00 0.00 N ATOM 437 CA LEU A 26 -4.083 -8.373 0.611 1.00 0.00 C ATOM 438 C LEU A 26 -5.525 -8.541 0.167 1.00 0.00 C ATOM 439 O LEU A 26 -5.919 -8.043 -0.883 1.00 0.00 O ATOM 440 CB LEU A 26 -3.947 -7.104 1.448 1.00 0.00 C ATOM 441 CG LEU A 26 -2.529 -6.782 1.928 1.00 0.00 C ATOM 442 CD1 LEU A 26 -2.423 -5.318 2.325 1.00 0.00 C ATOM 443 CD2 LEU A 26 -2.140 -7.677 3.097 1.00 0.00 C ATOM 0 H LEU A 26 -3.111 -7.388 -0.961 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.797 -9.232 1.217 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.314 -6.261 0.862 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.596 -7.193 2.319 1.00 0.00 H new ATOM 0 HG LEU A 26 -1.839 -6.971 1.106 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.409 -5.105 2.664 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.658 -4.690 1.465 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.126 -5.108 3.131 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.129 -7.432 3.422 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.835 -7.520 3.922 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.177 -8.721 2.784 1.00 0.00 H new ATOM 455 N LYS A 27 -6.311 -9.236 0.970 1.00 0.00 N ATOM 456 CA LYS A 27 -7.710 -9.460 0.644 1.00 0.00 C ATOM 457 C LYS A 27 -8.600 -8.526 1.449 1.00 0.00 C ATOM 458 O LYS A 27 -8.177 -7.969 2.462 1.00 0.00 O ATOM 459 CB LYS A 27 -8.101 -10.913 0.900 1.00 0.00 C ATOM 460 CG LYS A 27 -7.068 -11.912 0.403 1.00 0.00 C ATOM 461 CD LYS A 27 -7.587 -13.338 0.485 1.00 0.00 C ATOM 462 CE LYS A 27 -6.555 -14.337 -0.012 1.00 0.00 C ATOM 463 NZ LYS A 27 -6.178 -14.088 -1.431 1.00 0.00 N ATOM 0 H LYS A 27 -6.007 -9.654 1.849 1.00 0.00 H new ATOM 0 HA LYS A 27 -7.849 -9.249 -0.416 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -8.251 -11.058 1.970 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -9.055 -11.116 0.414 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -6.802 -11.679 -0.628 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -6.158 -11.821 0.995 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -7.853 -13.571 1.516 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -8.498 -13.429 -0.107 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -5.665 -14.282 0.615 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -6.952 -15.348 0.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -5.636 -14.898 -1.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -7.038 -13.964 -2.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -5.596 -13.228 -1.490 1.00 0.00 H new ATOM 477 N GLY A 28 -9.833 -8.364 0.994 1.00 0.00 N ATOM 478 CA GLY A 28 -10.762 -7.485 1.674 1.00 0.00 C ATOM 479 C GLY A 28 -12.071 -7.335 0.926 1.00 0.00 C ATOM 480 O GLY A 28 -12.523 -8.269 0.262 1.00 0.00 O ATOM 0 H GLY A 28 -10.208 -8.826 0.165 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -10.960 -7.874 2.673 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -10.304 -6.504 1.799 1.00 0.00 H new ATOM 484 N ASN A 29 -12.678 -6.157 1.032 1.00 0.00 N ATOM 485 CA ASN A 29 -13.944 -5.881 0.361 1.00 0.00 C ATOM 486 C ASN A 29 -14.348 -4.419 0.547 1.00 0.00 C ATOM 487 O ASN A 29 -14.842 -4.040 1.608 1.00 0.00 O ATOM 488 CB ASN A 29 -15.044 -6.796 0.903 1.00 0.00 C ATOM 489 CG ASN A 29 -16.379 -6.563 0.223 1.00 0.00 C ATOM 490 OD1 ASN A 29 -16.434 -6.175 -0.944 1.00 0.00 O ATOM 491 ND2 ASN A 29 -17.464 -6.797 0.953 1.00 0.00 N ATOM 0 H ASN A 29 -12.313 -5.376 1.578 1.00 0.00 H new ATOM 0 HA ASN A 29 -13.812 -6.074 -0.704 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -14.747 -7.836 0.767 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -15.152 -6.633 1.975 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -18.390 -6.656 0.550 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -17.371 -7.118 1.917 1.00 0.00 H new ATOM 498 N PRO A 30 -14.140 -3.572 -0.481 1.00 0.00 N ATOM 499 CA PRO A 30 -14.493 -2.150 -0.414 1.00 0.00 C ATOM 500 C PRO A 30 -15.971 -1.935 -0.105 1.00 0.00 C ATOM 501 O PRO A 30 -16.366 -0.874 0.379 1.00 0.00 O ATOM 502 CB PRO A 30 -14.157 -1.616 -1.814 1.00 0.00 C ATOM 503 CG PRO A 30 -14.034 -2.826 -2.678 1.00 0.00 C ATOM 504 CD PRO A 30 -13.548 -3.926 -1.782 1.00 0.00 C ATOM 0 HA PRO A 30 -13.954 -1.641 0.385 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -14.939 -0.950 -2.179 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -13.229 -1.044 -1.804 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -14.993 -3.084 -3.127 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -13.335 -2.652 -3.496 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -13.882 -4.905 -2.126 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -12.459 -3.959 -1.736 1.00 0.00 H new ATOM 512 N THR A 31 -16.782 -2.950 -0.388 1.00 0.00 N ATOM 513 CA THR A 31 -18.211 -2.879 -0.141 1.00 0.00 C ATOM 514 C THR A 31 -18.505 -2.710 1.347 1.00 0.00 C ATOM 515 O THR A 31 -19.501 -2.095 1.726 1.00 0.00 O ATOM 516 CB THR A 31 -18.915 -4.145 -0.656 1.00 0.00 C ATOM 517 OG1 THR A 31 -18.550 -4.390 -2.018 1.00 0.00 O ATOM 518 CG2 THR A 31 -20.420 -3.999 -0.551 1.00 0.00 C ATOM 0 H THR A 31 -16.468 -3.833 -0.790 1.00 0.00 H new ATOM 0 HA THR A 31 -18.592 -2.010 -0.677 1.00 0.00 H new ATOM 0 HB THR A 31 -18.600 -4.987 -0.040 1.00 0.00 H new ATOM 0 HG1 THR A 31 -17.802 -5.023 -2.048 1.00 0.00 H new ATOM 0 HG21 THR A 31 -20.900 -4.905 -0.920 1.00 0.00 H new ATOM 0 HG22 THR A 31 -20.698 -3.840 0.491 1.00 0.00 H new ATOM 0 HG23 THR A 31 -20.745 -3.147 -1.148 1.00 0.00 H new ATOM 526 N THR A 32 -17.630 -3.259 2.185 1.00 0.00 N ATOM 527 CA THR A 32 -17.796 -3.168 3.630 1.00 0.00 C ATOM 528 C THR A 32 -17.753 -1.718 4.095 1.00 0.00 C ATOM 529 O THR A 32 -18.664 -1.247 4.776 1.00 0.00 O ATOM 530 CB THR A 32 -16.710 -3.967 4.376 1.00 0.00 C ATOM 531 OG1 THR A 32 -15.417 -3.414 4.101 1.00 0.00 O ATOM 532 CG2 THR A 32 -16.737 -5.431 3.967 1.00 0.00 C ATOM 0 H THR A 32 -16.800 -3.771 1.887 1.00 0.00 H new ATOM 0 HA THR A 32 -18.771 -3.595 3.863 1.00 0.00 H new ATOM 0 HB THR A 32 -16.913 -3.901 5.445 1.00 0.00 H new ATOM 0 HG1 THR A 32 -15.057 -3.816 3.283 1.00 0.00 H new ATOM 0 HG21 THR A 32 -15.961 -5.974 4.507 1.00 0.00 H new ATOM 0 HG22 THR A 32 -17.711 -5.857 4.205 1.00 0.00 H new ATOM 0 HG23 THR A 32 -16.558 -5.513 2.895 1.00 0.00 H new ATOM 540 N GLY A 33 -16.688 -1.014 3.723 1.00 0.00 N ATOM 541 CA GLY A 33 -16.550 0.377 4.110 1.00 0.00 C ATOM 542 C GLY A 33 -15.103 0.797 4.286 1.00 0.00 C ATOM 543 O GLY A 33 -14.721 1.902 3.901 1.00 0.00 O ATOM 0 H GLY A 33 -15.920 -1.382 3.162 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -17.017 1.008 3.354 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -17.088 0.545 5.043 1.00 0.00 H new ATOM 547 N TYR A 34 -14.295 -0.085 4.868 1.00 0.00 N ATOM 548 CA TYR A 34 -12.885 0.211 5.097 1.00 0.00 C ATOM 549 C TYR A 34 -12.055 -0.023 3.836 1.00 0.00 C ATOM 550 O TYR A 34 -12.587 -0.369 2.780 1.00 0.00 O ATOM 551 CB TYR A 34 -12.337 -0.636 6.250 1.00 0.00 C ATOM 552 CG TYR A 34 -12.966 -0.325 7.591 1.00 0.00 C ATOM 553 CD1 TYR A 34 -14.222 -0.821 7.919 1.00 0.00 C ATOM 554 CD2 TYR A 34 -12.306 0.463 8.531 1.00 0.00 C ATOM 555 CE1 TYR A 34 -14.804 -0.543 9.140 1.00 0.00 C ATOM 556 CE2 TYR A 34 -12.884 0.744 9.755 1.00 0.00 C ATOM 557 CZ TYR A 34 -14.131 0.239 10.055 1.00 0.00 C ATOM 558 OH TYR A 34 -14.708 0.517 11.272 1.00 0.00 O ATOM 0 H TYR A 34 -14.591 -1.007 5.188 1.00 0.00 H new ATOM 0 HA TYR A 34 -12.809 1.265 5.364 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -12.495 -1.690 6.021 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -11.260 -0.483 6.320 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -14.752 -1.435 7.206 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -11.329 0.860 8.300 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -15.782 -0.936 9.377 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -12.360 1.357 10.474 1.00 0.00 H new ATOM 0 HH TYR A 34 -14.103 1.079 11.800 1.00 0.00 H new ATOM 568 N MET A 35 -10.747 0.171 3.964 1.00 0.00 N ATOM 569 CA MET A 35 -9.819 0.009 2.870 1.00 0.00 C ATOM 570 C MET A 35 -8.459 -0.409 3.403 1.00 0.00 C ATOM 571 O MET A 35 -8.102 -0.086 4.534 1.00 0.00 O ATOM 572 CB MET A 35 -9.672 1.331 2.119 1.00 0.00 C ATOM 573 CG MET A 35 -8.304 1.513 1.490 1.00 0.00 C ATOM 574 SD MET A 35 -8.078 3.143 0.752 1.00 0.00 S ATOM 575 CE MET A 35 -9.382 3.149 -0.477 1.00 0.00 C ATOM 0 H MET A 35 -10.305 0.447 4.841 1.00 0.00 H new ATOM 0 HA MET A 35 -10.200 -0.758 2.196 1.00 0.00 H new ATOM 0 HB2 MET A 35 -10.433 1.385 1.340 1.00 0.00 H new ATOM 0 HB3 MET A 35 -9.861 2.155 2.807 1.00 0.00 H new ATOM 0 HG2 MET A 35 -7.538 1.354 2.249 1.00 0.00 H new ATOM 0 HG3 MET A 35 -8.158 0.751 0.725 1.00 0.00 H new ATOM 0 HE1 MET A 35 -9.827 4.143 -0.531 1.00 0.00 H new ATOM 0 HE2 MET A 35 -8.967 2.884 -1.449 1.00 0.00 H new ATOM 0 HE3 MET A 35 -10.147 2.424 -0.199 1.00 0.00 H new ATOM 585 N TRP A 36 -7.700 -1.108 2.580 1.00 0.00 N ATOM 586 CA TRP A 36 -6.369 -1.537 2.966 1.00 0.00 C ATOM 587 C TRP A 36 -5.323 -0.720 2.223 1.00 0.00 C ATOM 588 O TRP A 36 -4.859 -1.113 1.152 1.00 0.00 O ATOM 589 CB TRP A 36 -6.174 -3.016 2.672 1.00 0.00 C ATOM 590 CG TRP A 36 -6.347 -3.894 3.870 1.00 0.00 C ATOM 591 CD1 TRP A 36 -7.285 -4.870 4.046 1.00 0.00 C ATOM 592 CD2 TRP A 36 -5.561 -3.872 5.063 1.00 0.00 C ATOM 593 NE1 TRP A 36 -7.129 -5.456 5.278 1.00 0.00 N ATOM 594 CE2 TRP A 36 -6.076 -4.861 5.922 1.00 0.00 C ATOM 595 CE3 TRP A 36 -4.469 -3.112 5.488 1.00 0.00 C ATOM 596 CZ2 TRP A 36 -5.537 -5.107 7.181 1.00 0.00 C ATOM 597 CZ3 TRP A 36 -3.934 -3.357 6.736 1.00 0.00 C ATOM 598 CH2 TRP A 36 -4.469 -4.348 7.570 1.00 0.00 C ATOM 0 H TRP A 36 -7.982 -1.390 1.641 1.00 0.00 H new ATOM 0 HA TRP A 36 -6.254 -1.379 4.038 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -6.884 -3.321 1.903 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -5.175 -3.168 2.262 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -8.039 -5.142 3.322 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -7.703 -6.211 5.653 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -4.051 -2.346 4.851 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -5.947 -5.869 7.827 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -3.089 -2.776 7.076 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -4.028 -4.516 8.541 1.00 0.00 H new ATOM 609 N THR A 37 -4.962 0.420 2.792 1.00 0.00 N ATOM 610 CA THR A 37 -3.975 1.297 2.175 1.00 0.00 C ATOM 611 C THR A 37 -2.926 1.720 3.207 1.00 0.00 C ATOM 612 O THR A 37 -2.857 1.137 4.287 1.00 0.00 O ATOM 613 CB THR A 37 -4.646 2.540 1.561 1.00 0.00 C ATOM 614 OG1 THR A 37 -3.695 3.290 0.797 1.00 0.00 O ATOM 615 CG2 THR A 37 -5.236 3.420 2.647 1.00 0.00 C ATOM 0 H THR A 37 -5.336 0.760 3.678 1.00 0.00 H new ATOM 0 HA THR A 37 -3.484 0.745 1.374 1.00 0.00 H new ATOM 0 HB THR A 37 -5.449 2.205 0.905 1.00 0.00 H new ATOM 0 HG1 THR A 37 -4.086 4.152 0.544 1.00 0.00 H new ATOM 0 HG21 THR A 37 -5.705 4.293 2.193 1.00 0.00 H new ATOM 0 HG22 THR A 37 -5.983 2.856 3.207 1.00 0.00 H new ATOM 0 HG23 THR A 37 -4.445 3.744 3.323 1.00 0.00 H new ATOM 623 N ARG A 38 -2.113 2.730 2.890 1.00 0.00 N ATOM 624 CA ARG A 38 -1.083 3.179 3.822 1.00 0.00 C ATOM 625 C ARG A 38 -1.613 4.276 4.746 1.00 0.00 C ATOM 626 O ARG A 38 -2.467 5.072 4.357 1.00 0.00 O ATOM 627 CB ARG A 38 0.160 3.663 3.070 1.00 0.00 C ATOM 628 CG ARG A 38 1.222 2.603 2.891 1.00 0.00 C ATOM 629 CD ARG A 38 2.318 3.070 1.946 1.00 0.00 C ATOM 630 NE ARG A 38 2.830 4.397 2.268 1.00 0.00 N ATOM 631 CZ ARG A 38 3.991 4.602 2.889 1.00 0.00 C ATOM 632 NH1 ARG A 38 4.708 3.571 3.314 1.00 0.00 N ATOM 633 NH2 ARG A 38 4.435 5.835 3.085 1.00 0.00 N ATOM 0 H ARG A 38 -2.148 3.244 2.009 1.00 0.00 H new ATOM 0 HA ARG A 38 -0.801 2.326 4.439 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -0.142 4.030 2.089 1.00 0.00 H new ATOM 0 HB3 ARG A 38 0.591 4.508 3.607 1.00 0.00 H new ATOM 0 HG2 ARG A 38 1.656 2.354 3.859 1.00 0.00 H new ATOM 0 HG3 ARG A 38 0.767 1.692 2.501 1.00 0.00 H new ATOM 0 HD2 ARG A 38 3.140 2.355 1.972 1.00 0.00 H new ATOM 0 HD3 ARG A 38 1.932 3.075 0.927 1.00 0.00 H new ATOM 0 HE ARG A 38 2.271 5.209 2.005 1.00 0.00 H new ATOM 0 HH11 ARG A 38 4.371 2.620 3.166 1.00 0.00 H new ATOM 0 HH12 ARG A 38 5.597 3.729 3.789 1.00 0.00 H new ATOM 0 HH21 ARG A 38 3.887 6.632 2.760 1.00 0.00 H new ATOM 0 HH22 ARG A 38 5.324 5.987 3.561 1.00 0.00 H new ATOM 647 N VAL A 39 -1.092 4.307 5.973 1.00 0.00 N ATOM 648 CA VAL A 39 -1.511 5.290 6.969 1.00 0.00 C ATOM 649 C VAL A 39 -1.074 6.700 6.583 1.00 0.00 C ATOM 650 O VAL A 39 0.061 6.914 6.161 1.00 0.00 O ATOM 651 CB VAL A 39 -0.929 4.958 8.359 1.00 0.00 C ATOM 652 CG1 VAL A 39 -1.558 5.843 9.426 1.00 0.00 C ATOM 653 CG2 VAL A 39 -1.122 3.486 8.692 1.00 0.00 C ATOM 0 H VAL A 39 -0.376 3.659 6.301 1.00 0.00 H new ATOM 0 HA VAL A 39 -2.600 5.249 7.008 1.00 0.00 H new ATOM 0 HB VAL A 39 0.142 5.158 8.337 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.136 5.595 10.400 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.354 6.889 9.198 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -2.635 5.680 9.446 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.703 3.278 9.677 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.186 3.250 8.693 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -0.615 2.875 7.945 1.00 0.00 H new ATOM 663 N GLY A 40 -1.979 7.661 6.747 1.00 0.00 N ATOM 664 CA GLY A 40 -1.670 9.040 6.414 1.00 0.00 C ATOM 665 C GLY A 40 -1.785 9.315 4.929 1.00 0.00 C ATOM 666 O GLY A 40 -1.528 10.430 4.475 1.00 0.00 O ATOM 0 H GLY A 40 -2.922 7.509 7.105 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.345 9.702 6.957 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -0.659 9.273 6.747 1.00 0.00 H new ATOM 670 N PHE A 41 -2.175 8.295 4.174 1.00 0.00 N ATOM 671 CA PHE A 41 -2.326 8.420 2.730 1.00 0.00 C ATOM 672 C PHE A 41 -3.695 7.927 2.298 1.00 0.00 C ATOM 673 O PHE A 41 -4.039 7.963 1.117 1.00 0.00 O ATOM 674 CB PHE A 41 -1.233 7.627 2.023 1.00 0.00 C ATOM 675 CG PHE A 41 0.138 7.992 2.499 1.00 0.00 C ATOM 676 CD1 PHE A 41 0.737 9.172 2.091 1.00 0.00 C ATOM 677 CD2 PHE A 41 0.819 7.163 3.369 1.00 0.00 C ATOM 678 CE1 PHE A 41 1.995 9.517 2.543 1.00 0.00 C ATOM 679 CE2 PHE A 41 2.077 7.500 3.825 1.00 0.00 C ATOM 680 CZ PHE A 41 2.667 8.679 3.413 1.00 0.00 C ATOM 0 H PHE A 41 -2.393 7.368 4.540 1.00 0.00 H new ATOM 0 HA PHE A 41 -2.234 9.471 2.456 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -1.399 6.562 2.185 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -1.300 7.800 0.949 1.00 0.00 H new ATOM 0 HD1 PHE A 41 0.214 9.829 1.412 1.00 0.00 H new ATOM 0 HD2 PHE A 41 0.362 6.241 3.696 1.00 0.00 H new ATOM 0 HE1 PHE A 41 2.453 10.439 2.218 1.00 0.00 H new ATOM 0 HE2 PHE A 41 2.600 6.842 4.504 1.00 0.00 H new ATOM 0 HZ PHE A 41 3.651 8.945 3.770 1.00 0.00 H new ATOM 690 N VAL A 42 -4.463 7.458 3.269 1.00 0.00 N ATOM 691 CA VAL A 42 -5.804 6.959 3.012 1.00 0.00 C ATOM 692 C VAL A 42 -6.652 8.008 2.301 1.00 0.00 C ATOM 693 O VAL A 42 -7.064 9.000 2.902 1.00 0.00 O ATOM 694 CB VAL A 42 -6.497 6.539 4.320 1.00 0.00 C ATOM 695 CG1 VAL A 42 -7.813 5.841 4.019 1.00 0.00 C ATOM 696 CG2 VAL A 42 -5.571 5.655 5.141 1.00 0.00 C ATOM 0 H VAL A 42 -4.178 7.413 4.247 1.00 0.00 H new ATOM 0 HA VAL A 42 -5.707 6.086 2.367 1.00 0.00 H new ATOM 0 HB VAL A 42 -6.721 7.428 4.909 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -8.292 5.549 4.954 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -8.468 6.519 3.472 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -7.624 4.953 3.416 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -6.071 5.363 6.065 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -5.317 4.763 4.568 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -4.660 6.204 5.379 1.00 0.00 H new ATOM 706 N GLY A 43 -6.905 7.779 1.016 1.00 0.00 N ATOM 707 CA GLY A 43 -7.693 8.711 0.232 1.00 0.00 C ATOM 708 C GLY A 43 -6.865 9.391 -0.841 1.00 0.00 C ATOM 709 O GLY A 43 -7.383 9.771 -1.891 1.00 0.00 O ATOM 0 H GLY A 43 -6.577 6.961 0.503 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.525 8.181 -0.233 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.124 9.465 0.890 1.00 0.00 H new ATOM 713 N LYS A 44 -5.573 9.542 -0.570 1.00 0.00 N ATOM 714 CA LYS A 44 -4.655 10.173 -1.506 1.00 0.00 C ATOM 715 C LYS A 44 -4.458 9.306 -2.747 1.00 0.00 C ATOM 716 O LYS A 44 -4.965 8.187 -2.820 1.00 0.00 O ATOM 717 CB LYS A 44 -3.311 10.419 -0.822 1.00 0.00 C ATOM 718 CG LYS A 44 -3.396 11.367 0.364 1.00 0.00 C ATOM 719 CD LYS A 44 -2.022 11.658 0.945 1.00 0.00 C ATOM 720 CE LYS A 44 -2.108 12.603 2.132 1.00 0.00 C ATOM 721 NZ LYS A 44 -0.767 12.892 2.711 1.00 0.00 N ATOM 0 H LYS A 44 -5.137 9.232 0.299 1.00 0.00 H new ATOM 0 HA LYS A 44 -5.083 11.125 -1.821 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -2.904 9.465 -0.486 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -2.610 10.825 -1.552 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.865 12.300 0.052 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.033 10.932 1.134 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -1.552 10.725 1.255 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -1.386 12.095 0.176 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -2.577 13.536 1.820 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -2.748 12.166 2.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -0.761 13.852 3.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -0.557 12.203 3.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -0.045 12.823 1.966 1.00 0.00 H new ATOM 735 N ASP A 45 -3.719 9.831 -3.721 1.00 0.00 N ATOM 736 CA ASP A 45 -3.453 9.112 -4.954 1.00 0.00 C ATOM 737 C ASP A 45 -2.238 8.203 -4.803 1.00 0.00 C ATOM 738 O ASP A 45 -2.220 7.084 -5.317 1.00 0.00 O ATOM 739 CB ASP A 45 -3.226 10.108 -6.088 1.00 0.00 C ATOM 740 CG ASP A 45 -4.491 10.850 -6.471 1.00 0.00 C ATOM 741 OD1 ASP A 45 -5.226 10.356 -7.353 1.00 0.00 O ATOM 742 OD2 ASP A 45 -4.749 11.924 -5.889 1.00 0.00 O ATOM 0 H ASP A 45 -3.294 10.757 -3.675 1.00 0.00 H new ATOM 0 HA ASP A 45 -4.316 8.488 -5.186 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -2.464 10.827 -5.788 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -2.841 9.579 -6.960 1.00 0.00 H new ATOM 747 N VAL A 46 -1.226 8.693 -4.095 1.00 0.00 N ATOM 748 CA VAL A 46 -0.005 7.928 -3.872 1.00 0.00 C ATOM 749 C VAL A 46 0.334 7.849 -2.392 1.00 0.00 C ATOM 750 O VAL A 46 0.317 8.854 -1.681 1.00 0.00 O ATOM 751 CB VAL A 46 1.189 8.532 -4.643 1.00 0.00 C ATOM 752 CG1 VAL A 46 2.513 8.173 -3.980 1.00 0.00 C ATOM 753 CG2 VAL A 46 1.171 8.062 -6.086 1.00 0.00 C ATOM 0 H VAL A 46 -1.228 9.618 -3.665 1.00 0.00 H new ATOM 0 HA VAL A 46 -0.190 6.921 -4.246 1.00 0.00 H new ATOM 0 HB VAL A 46 1.092 9.617 -4.624 1.00 0.00 H new ATOM 0 HG11 VAL A 46 3.334 8.613 -4.546 1.00 0.00 H new ATOM 0 HG12 VAL A 46 2.526 8.560 -2.961 1.00 0.00 H new ATOM 0 HG13 VAL A 46 2.627 7.089 -3.958 1.00 0.00 H new ATOM 0 HG21 VAL A 46 2.017 8.494 -6.620 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.240 6.975 -6.115 1.00 0.00 H new ATOM 0 HG23 VAL A 46 0.242 8.379 -6.560 1.00 0.00 H new ATOM 763 N LEU A 47 0.641 6.642 -1.939 1.00 0.00 N ATOM 764 CA LEU A 47 0.997 6.412 -0.550 1.00 0.00 C ATOM 765 C LEU A 47 2.487 6.668 -0.344 1.00 0.00 C ATOM 766 O LEU A 47 2.887 7.410 0.552 1.00 0.00 O ATOM 767 CB LEU A 47 0.646 4.983 -0.154 1.00 0.00 C ATOM 768 CG LEU A 47 -0.600 4.403 -0.834 1.00 0.00 C ATOM 769 CD1 LEU A 47 -0.816 2.957 -0.411 1.00 0.00 C ATOM 770 CD2 LEU A 47 -1.828 5.241 -0.515 1.00 0.00 C ATOM 0 H LEU A 47 0.650 5.803 -2.519 1.00 0.00 H new ATOM 0 HA LEU A 47 0.434 7.099 0.081 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.497 4.341 -0.382 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.500 4.948 0.926 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.441 4.427 -1.912 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -1.705 2.563 -0.904 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.051 2.361 -0.696 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.949 2.910 0.670 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -2.700 4.811 -1.008 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -1.990 5.254 0.563 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -1.676 6.260 -0.871 1.00 0.00 H new ATOM 782 N SER A 48 3.295 6.031 -1.185 1.00 0.00 N ATOM 783 CA SER A 48 4.750 6.182 -1.144 1.00 0.00 C ATOM 784 C SER A 48 5.166 7.653 -1.158 1.00 0.00 C ATOM 785 O SER A 48 4.329 8.546 -1.290 1.00 0.00 O ATOM 786 CB SER A 48 5.374 5.470 -2.342 1.00 0.00 C ATOM 787 OG SER A 48 6.786 5.572 -2.319 1.00 0.00 O ATOM 0 H SER A 48 2.964 5.397 -1.913 1.00 0.00 H new ATOM 0 HA SER A 48 5.105 5.738 -0.214 1.00 0.00 H new ATOM 0 HB2 SER A 48 5.082 4.420 -2.337 1.00 0.00 H new ATOM 0 HB3 SER A 48 4.990 5.903 -3.266 1.00 0.00 H new ATOM 0 HG SER A 48 7.120 5.286 -1.443 1.00 0.00 H new ATOM 793 N ASP A 49 6.473 7.895 -1.041 1.00 0.00 N ATOM 794 CA ASP A 49 7.005 9.255 -1.039 1.00 0.00 C ATOM 795 C ASP A 49 8.476 9.278 -1.443 1.00 0.00 C ATOM 796 O ASP A 49 8.806 9.373 -2.625 1.00 0.00 O ATOM 797 CB ASP A 49 6.845 9.900 0.340 1.00 0.00 C ATOM 798 CG ASP A 49 5.411 10.289 0.640 1.00 0.00 C ATOM 799 OD1 ASP A 49 5.018 11.421 0.287 1.00 0.00 O ATOM 800 OD2 ASP A 49 4.684 9.462 1.227 1.00 0.00 O ATOM 0 H ASP A 49 7.180 7.166 -0.947 1.00 0.00 H new ATOM 0 HA ASP A 49 6.434 9.826 -1.771 1.00 0.00 H new ATOM 0 HB2 ASP A 49 7.197 9.207 1.104 1.00 0.00 H new ATOM 0 HB3 ASP A 49 7.477 10.786 0.398 1.00 0.00 H new ATOM 805 N GLU A 50 9.355 9.189 -0.448 1.00 0.00 N ATOM 806 CA GLU A 50 10.791 9.214 -0.685 1.00 0.00 C ATOM 807 C GLU A 50 11.489 8.069 0.042 1.00 0.00 C ATOM 808 O GLU A 50 12.494 7.540 -0.431 1.00 0.00 O ATOM 809 CB GLU A 50 11.353 10.550 -0.210 1.00 0.00 C ATOM 810 CG GLU A 50 11.242 10.756 1.293 1.00 0.00 C ATOM 811 CD GLU A 50 11.839 12.072 1.748 1.00 0.00 C ATOM 812 OE1 GLU A 50 11.103 13.081 1.772 1.00 0.00 O ATOM 813 OE2 GLU A 50 13.043 12.095 2.080 1.00 0.00 O ATOM 0 H GLU A 50 9.094 9.099 0.534 1.00 0.00 H new ATOM 0 HA GLU A 50 10.971 9.093 -1.753 1.00 0.00 H new ATOM 0 HB2 GLU A 50 12.401 10.618 -0.501 1.00 0.00 H new ATOM 0 HB3 GLU A 50 10.827 11.358 -0.719 1.00 0.00 H new ATOM 0 HG2 GLU A 50 10.192 10.718 1.584 1.00 0.00 H new ATOM 0 HG3 GLU A 50 11.745 9.937 1.806 1.00 0.00 H new ATOM 820 N ILE A 51 10.948 7.699 1.196 1.00 0.00 N ATOM 821 CA ILE A 51 11.513 6.624 2.002 1.00 0.00 C ATOM 822 C ILE A 51 11.303 5.271 1.343 1.00 0.00 C ATOM 823 O ILE A 51 12.230 4.689 0.786 1.00 0.00 O ATOM 824 CB ILE A 51 10.873 6.606 3.400 1.00 0.00 C ATOM 825 CG1 ILE A 51 10.927 8.002 4.014 1.00 0.00 C ATOM 826 CG2 ILE A 51 11.570 5.595 4.298 1.00 0.00 C ATOM 827 CD1 ILE A 51 12.331 8.474 4.325 1.00 0.00 C ATOM 0 H ILE A 51 10.115 8.130 1.596 1.00 0.00 H new ATOM 0 HA ILE A 51 12.583 6.811 2.090 1.00 0.00 H new ATOM 0 HB ILE A 51 9.830 6.306 3.304 1.00 0.00 H new ATOM 0 HG12 ILE A 51 10.458 8.709 3.330 1.00 0.00 H new ATOM 0 HG13 ILE A 51 10.339 8.009 4.932 1.00 0.00 H new ATOM 0 HG21 ILE A 51 11.101 5.599 5.282 1.00 0.00 H new ATOM 0 HG22 ILE A 51 11.486 4.600 3.860 1.00 0.00 H new ATOM 0 HG23 ILE A 51 12.623 5.861 4.396 1.00 0.00 H new ATOM 0 HD11 ILE A 51 12.291 9.473 4.759 1.00 0.00 H new ATOM 0 HD12 ILE A 51 12.796 7.789 5.034 1.00 0.00 H new ATOM 0 HD13 ILE A 51 12.918 8.500 3.407 1.00 0.00 H new ATOM 839 N LEU A 52 10.082 4.766 1.434 1.00 0.00 N ATOM 840 CA LEU A 52 9.741 3.483 0.832 1.00 0.00 C ATOM 841 C LEU A 52 8.931 3.665 -0.443 1.00 0.00 C ATOM 842 O LEU A 52 7.812 4.172 -0.399 1.00 0.00 O ATOM 843 CB LEU A 52 8.938 2.630 1.815 1.00 0.00 C ATOM 844 CG LEU A 52 9.768 1.700 2.694 1.00 0.00 C ATOM 845 CD1 LEU A 52 8.909 1.103 3.795 1.00 0.00 C ATOM 846 CD2 LEU A 52 10.401 0.599 1.857 1.00 0.00 C ATOM 0 H LEU A 52 9.310 5.224 1.919 1.00 0.00 H new ATOM 0 HA LEU A 52 10.676 2.981 0.585 1.00 0.00 H new ATOM 0 HB2 LEU A 52 8.360 3.293 2.459 1.00 0.00 H new ATOM 0 HB3 LEU A 52 8.223 2.030 1.252 1.00 0.00 H new ATOM 0 HG LEU A 52 10.565 2.283 3.156 1.00 0.00 H new ATOM 0 HD11 LEU A 52 9.517 0.442 4.413 1.00 0.00 H new ATOM 0 HD12 LEU A 52 8.501 1.903 4.412 1.00 0.00 H new ATOM 0 HD13 LEU A 52 8.092 0.535 3.351 1.00 0.00 H new ATOM 0 HD21 LEU A 52 10.989 -0.055 2.501 1.00 0.00 H new ATOM 0 HD22 LEU A 52 9.619 0.018 1.368 1.00 0.00 H new ATOM 0 HD23 LEU A 52 11.049 1.043 1.102 1.00 0.00 H new ATOM 858 N GLU A 53 9.509 3.274 -1.579 1.00 0.00 N ATOM 859 CA GLU A 53 8.810 3.356 -2.854 1.00 0.00 C ATOM 860 C GLU A 53 7.636 2.389 -2.855 1.00 0.00 C ATOM 861 O GLU A 53 7.673 1.346 -3.509 1.00 0.00 O ATOM 862 CB GLU A 53 9.760 3.027 -4.004 1.00 0.00 C ATOM 863 CG GLU A 53 10.148 4.236 -4.828 1.00 0.00 C ATOM 864 CD GLU A 53 9.327 4.369 -6.095 1.00 0.00 C ATOM 865 OE1 GLU A 53 9.743 3.810 -7.132 1.00 0.00 O ATOM 866 OE2 GLU A 53 8.270 5.031 -6.051 1.00 0.00 O ATOM 0 H GLU A 53 10.456 2.899 -1.639 1.00 0.00 H new ATOM 0 HA GLU A 53 8.440 4.372 -2.991 1.00 0.00 H new ATOM 0 HB2 GLU A 53 10.662 2.567 -3.600 1.00 0.00 H new ATOM 0 HB3 GLU A 53 9.290 2.289 -4.654 1.00 0.00 H new ATOM 0 HG2 GLU A 53 10.026 5.136 -4.225 1.00 0.00 H new ATOM 0 HG3 GLU A 53 11.204 4.168 -5.090 1.00 0.00 H new ATOM 873 N VAL A 54 6.596 2.738 -2.109 1.00 0.00 N ATOM 874 CA VAL A 54 5.422 1.894 -2.000 1.00 0.00 C ATOM 875 C VAL A 54 4.504 2.032 -3.201 1.00 0.00 C ATOM 876 O VAL A 54 3.561 2.824 -3.187 1.00 0.00 O ATOM 877 CB VAL A 54 4.607 2.205 -0.735 1.00 0.00 C ATOM 878 CG1 VAL A 54 3.574 1.114 -0.505 1.00 0.00 C ATOM 879 CG2 VAL A 54 5.514 2.369 0.473 1.00 0.00 C ATOM 0 H VAL A 54 6.545 3.603 -1.571 1.00 0.00 H new ATOM 0 HA VAL A 54 5.801 0.873 -1.950 1.00 0.00 H new ATOM 0 HB VAL A 54 4.085 3.151 -0.878 1.00 0.00 H new ATOM 0 HG11 VAL A 54 3.000 1.340 0.393 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.902 1.062 -1.362 1.00 0.00 H new ATOM 0 HG13 VAL A 54 4.078 0.156 -0.381 1.00 0.00 H new ATOM 0 HG21 VAL A 54 4.911 2.588 1.354 1.00 0.00 H new ATOM 0 HG22 VAL A 54 6.073 1.447 0.636 1.00 0.00 H new ATOM 0 HG23 VAL A 54 6.210 3.189 0.297 1.00 0.00 H new ATOM 889 N VAL A 55 4.787 1.269 -4.243 1.00 0.00 N ATOM 890 CA VAL A 55 3.957 1.286 -5.427 1.00 0.00 C ATOM 891 C VAL A 55 2.746 0.405 -5.193 1.00 0.00 C ATOM 892 O VAL A 55 2.724 -0.768 -5.566 1.00 0.00 O ATOM 893 CB VAL A 55 4.705 0.796 -6.669 1.00 0.00 C ATOM 894 CG1 VAL A 55 3.829 0.949 -7.901 1.00 0.00 C ATOM 895 CG2 VAL A 55 6.017 1.549 -6.836 1.00 0.00 C ATOM 0 H VAL A 55 5.583 0.633 -4.290 1.00 0.00 H new ATOM 0 HA VAL A 55 3.659 2.318 -5.610 1.00 0.00 H new ATOM 0 HB VAL A 55 4.940 -0.261 -6.543 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.371 0.597 -8.779 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.920 0.361 -7.776 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.567 1.999 -8.033 1.00 0.00 H new ATOM 0 HG21 VAL A 55 6.534 1.186 -7.724 1.00 0.00 H new ATOM 0 HG22 VAL A 55 5.814 2.614 -6.944 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.644 1.386 -5.959 1.00 0.00 H new ATOM 905 N CYS A 56 1.753 0.983 -4.549 1.00 0.00 N ATOM 906 CA CYS A 56 0.530 0.270 -4.218 1.00 0.00 C ATOM 907 C CYS A 56 -0.570 0.563 -5.222 1.00 0.00 C ATOM 908 O CYS A 56 -0.737 1.697 -5.671 1.00 0.00 O ATOM 909 CB CYS A 56 0.062 0.646 -2.813 1.00 0.00 C ATOM 910 SG CYS A 56 -1.538 -0.060 -2.354 1.00 0.00 S ATOM 0 H CYS A 56 1.767 1.955 -4.240 1.00 0.00 H new ATOM 0 HA CYS A 56 0.748 -0.797 -4.253 1.00 0.00 H new ATOM 0 HB2 CYS A 56 0.812 0.319 -2.092 1.00 0.00 H new ATOM 0 HB3 CYS A 56 0.002 1.732 -2.740 1.00 0.00 H new ATOM 0 HG CYS A 56 -1.847 0.313 -1.148 1.00 0.00 H new ATOM 916 N LYS A 57 -1.319 -0.473 -5.569 1.00 0.00 N ATOM 917 CA LYS A 57 -2.413 -0.342 -6.510 1.00 0.00 C ATOM 918 C LYS A 57 -3.652 -1.042 -5.975 1.00 0.00 C ATOM 919 O LYS A 57 -3.700 -2.271 -5.886 1.00 0.00 O ATOM 920 CB LYS A 57 -2.036 -0.934 -7.864 1.00 0.00 C ATOM 921 CG LYS A 57 -0.624 -0.591 -8.311 1.00 0.00 C ATOM 922 CD LYS A 57 -0.303 -1.204 -9.664 1.00 0.00 C ATOM 923 CE LYS A 57 1.125 -0.904 -10.089 1.00 0.00 C ATOM 924 NZ LYS A 57 2.118 -1.468 -9.134 1.00 0.00 N ATOM 0 H LYS A 57 -1.185 -1.418 -5.209 1.00 0.00 H new ATOM 0 HA LYS A 57 -2.625 0.720 -6.638 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -2.139 -2.018 -7.818 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -2.741 -0.578 -8.615 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.512 0.492 -8.365 1.00 0.00 H new ATOM 0 HG3 LYS A 57 0.090 -0.949 -7.570 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -0.451 -2.283 -9.620 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -0.995 -0.818 -10.413 1.00 0.00 H new ATOM 0 HE2 LYS A 57 1.302 -1.316 -11.083 1.00 0.00 H new ATOM 0 HE3 LYS A 57 1.263 0.175 -10.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 3.075 -1.170 -9.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 1.913 -1.122 -8.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 2.061 -2.506 -9.147 1.00 0.00 H new ATOM 938 N TYR A 58 -4.642 -0.248 -5.606 1.00 0.00 N ATOM 939 CA TYR A 58 -5.892 -0.780 -5.090 1.00 0.00 C ATOM 940 C TYR A 58 -6.723 -1.311 -6.253 1.00 0.00 C ATOM 941 O TYR A 58 -7.352 -0.543 -6.980 1.00 0.00 O ATOM 942 CB TYR A 58 -6.655 0.310 -4.320 1.00 0.00 C ATOM 943 CG TYR A 58 -7.834 -0.195 -3.516 1.00 0.00 C ATOM 944 CD1 TYR A 58 -8.764 -1.070 -4.072 1.00 0.00 C ATOM 945 CD2 TYR A 58 -8.022 0.217 -2.200 1.00 0.00 C ATOM 946 CE1 TYR A 58 -9.844 -1.525 -3.346 1.00 0.00 C ATOM 947 CE2 TYR A 58 -9.107 -0.232 -1.468 1.00 0.00 C ATOM 948 CZ TYR A 58 -10.012 -1.103 -2.044 1.00 0.00 C ATOM 949 OH TYR A 58 -11.090 -1.548 -1.316 1.00 0.00 O ATOM 0 H TYR A 58 -4.605 0.770 -5.654 1.00 0.00 H new ATOM 0 HA TYR A 58 -5.689 -1.596 -4.397 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -5.962 0.814 -3.646 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -7.009 1.057 -5.030 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -8.636 -1.399 -5.093 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -7.314 0.894 -1.746 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -10.553 -2.206 -3.793 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -9.246 0.098 -0.449 1.00 0.00 H new ATOM 0 HH TYR A 58 -11.061 -1.158 -0.417 1.00 0.00 H new ATOM 959 N THR A 59 -6.714 -2.629 -6.424 1.00 0.00 N ATOM 960 CA THR A 59 -7.447 -3.264 -7.515 1.00 0.00 C ATOM 961 C THR A 59 -8.799 -3.801 -7.060 1.00 0.00 C ATOM 962 O THR A 59 -8.868 -4.781 -6.322 1.00 0.00 O ATOM 963 CB THR A 59 -6.640 -4.425 -8.123 1.00 0.00 C ATOM 964 OG1 THR A 59 -5.312 -3.990 -8.437 1.00 0.00 O ATOM 965 CG2 THR A 59 -7.314 -4.954 -9.380 1.00 0.00 C ATOM 0 H THR A 59 -6.208 -3.278 -5.822 1.00 0.00 H new ATOM 0 HA THR A 59 -7.608 -2.490 -8.265 1.00 0.00 H new ATOM 0 HB THR A 59 -6.595 -5.228 -7.387 1.00 0.00 H new ATOM 0 HG1 THR A 59 -4.806 -4.736 -8.822 1.00 0.00 H new ATOM 0 HG21 THR A 59 -6.725 -5.774 -9.791 1.00 0.00 H new ATOM 0 HG22 THR A 59 -8.313 -5.313 -9.133 1.00 0.00 H new ATOM 0 HG23 THR A 59 -7.388 -4.155 -10.117 1.00 0.00 H new ATOM 973 N PRO A 60 -9.893 -3.156 -7.496 1.00 0.00 N ATOM 974 CA PRO A 60 -11.243 -3.561 -7.172 1.00 0.00 C ATOM 975 C PRO A 60 -11.883 -4.327 -8.326 1.00 0.00 C ATOM 976 O PRO A 60 -12.381 -3.728 -9.280 1.00 0.00 O ATOM 977 CB PRO A 60 -11.913 -2.206 -6.974 1.00 0.00 C ATOM 978 CG PRO A 60 -11.223 -1.292 -7.945 1.00 0.00 C ATOM 979 CD PRO A 60 -9.917 -1.946 -8.324 1.00 0.00 C ATOM 0 HA PRO A 60 -11.318 -4.232 -6.316 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -12.983 -2.261 -7.174 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -11.798 -1.854 -5.949 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -11.842 -1.130 -8.827 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -11.047 -0.315 -7.495 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -9.880 -2.185 -9.387 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -9.066 -1.298 -8.114 1.00 0.00 H new ATOM 987 N THR A 61 -11.849 -5.654 -8.249 1.00 0.00 N ATOM 988 CA THR A 61 -12.413 -6.491 -9.303 1.00 0.00 C ATOM 989 C THR A 61 -13.938 -6.529 -9.231 1.00 0.00 C ATOM 990 O THR A 61 -14.511 -6.596 -8.145 1.00 0.00 O ATOM 991 CB THR A 61 -11.873 -7.931 -9.226 1.00 0.00 C ATOM 992 OG1 THR A 61 -10.703 -7.974 -8.401 1.00 0.00 O ATOM 993 CG2 THR A 61 -11.537 -8.460 -10.612 1.00 0.00 C ATOM 0 H THR A 61 -11.439 -6.171 -7.471 1.00 0.00 H new ATOM 0 HA THR A 61 -12.111 -6.044 -10.250 1.00 0.00 H new ATOM 0 HB THR A 61 -12.649 -8.561 -8.791 1.00 0.00 H new ATOM 0 HG1 THR A 61 -10.368 -8.894 -8.357 1.00 0.00 H new ATOM 0 HG21 THR A 61 -11.158 -9.479 -10.531 1.00 0.00 H new ATOM 0 HG22 THR A 61 -12.434 -8.455 -11.231 1.00 0.00 H new ATOM 0 HG23 THR A 61 -10.778 -7.826 -11.069 1.00 0.00 H new ATOM 1001 N PRO A 62 -14.618 -6.491 -10.392 1.00 0.00 N ATOM 1002 CA PRO A 62 -16.083 -6.524 -10.455 1.00 0.00 C ATOM 1003 C PRO A 62 -16.650 -7.850 -9.961 1.00 0.00 C ATOM 1004 O PRO A 62 -15.907 -8.741 -9.551 1.00 0.00 O ATOM 1005 CB PRO A 62 -16.394 -6.339 -11.948 1.00 0.00 C ATOM 1006 CG PRO A 62 -15.129 -5.839 -12.559 1.00 0.00 C ATOM 1007 CD PRO A 62 -14.018 -6.412 -11.733 1.00 0.00 C ATOM 0 HA PRO A 62 -16.529 -5.760 -9.819 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -16.705 -7.279 -12.404 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -17.208 -5.629 -12.094 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -15.046 -6.156 -13.599 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -15.097 -4.749 -12.554 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -13.708 -7.392 -12.096 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -13.135 -5.774 -11.744 1.00 0.00 H new ATOM 1015 N SER A 63 -17.973 -7.972 -10.003 1.00 0.00 N ATOM 1016 CA SER A 63 -18.642 -9.190 -9.563 1.00 0.00 C ATOM 1017 C SER A 63 -18.685 -10.219 -10.689 1.00 0.00 C ATOM 1018 O SER A 63 -18.155 -9.985 -11.776 1.00 0.00 O ATOM 1019 CB SER A 63 -20.063 -8.875 -9.089 1.00 0.00 C ATOM 1020 OG SER A 63 -20.656 -10.001 -8.467 1.00 0.00 O ATOM 0 H SER A 63 -18.602 -7.242 -10.337 1.00 0.00 H new ATOM 0 HA SER A 63 -18.075 -9.608 -8.731 1.00 0.00 H new ATOM 0 HB2 SER A 63 -20.039 -8.040 -8.389 1.00 0.00 H new ATOM 0 HB3 SER A 63 -20.671 -8.562 -9.938 1.00 0.00 H new ATOM 0 HG SER A 63 -19.993 -10.450 -7.902 1.00 0.00 H new ATOM 1026 N SER A 64 -19.317 -11.358 -10.423 1.00 0.00 N ATOM 1027 CA SER A 64 -19.426 -12.422 -11.415 1.00 0.00 C ATOM 1028 C SER A 64 -20.555 -12.136 -12.400 1.00 0.00 C ATOM 1029 O SER A 64 -20.317 -11.937 -13.592 1.00 0.00 O ATOM 1030 CB SER A 64 -19.662 -13.767 -10.727 1.00 0.00 C ATOM 1031 OG SER A 64 -19.764 -14.815 -11.675 1.00 0.00 O ATOM 0 H SER A 64 -19.761 -11.568 -9.529 1.00 0.00 H new ATOM 0 HA SER A 64 -18.488 -12.465 -11.969 1.00 0.00 H new ATOM 0 HB2 SER A 64 -18.844 -13.975 -10.038 1.00 0.00 H new ATOM 0 HB3 SER A 64 -20.575 -13.720 -10.133 1.00 0.00 H new ATOM 0 HG SER A 64 -19.913 -15.664 -11.209 1.00 0.00 H new ATOM 1037 N THR A 65 -21.785 -12.116 -11.895 1.00 0.00 N ATOM 1038 CA THR A 65 -22.952 -11.857 -12.732 1.00 0.00 C ATOM 1039 C THR A 65 -23.476 -10.429 -12.556 1.00 0.00 C ATOM 1040 O THR A 65 -23.723 -9.732 -13.541 1.00 0.00 O ATOM 1041 CB THR A 65 -24.091 -12.858 -12.444 1.00 0.00 C ATOM 1042 OG1 THR A 65 -23.621 -14.200 -12.620 1.00 0.00 O ATOM 1043 CG2 THR A 65 -25.278 -12.610 -13.365 1.00 0.00 C ATOM 0 H THR A 65 -21.999 -12.276 -10.911 1.00 0.00 H new ATOM 0 HA THR A 65 -22.622 -11.983 -13.763 1.00 0.00 H new ATOM 0 HB THR A 65 -24.414 -12.717 -11.413 1.00 0.00 H new ATOM 0 HG1 THR A 65 -24.349 -14.829 -12.434 1.00 0.00 H new ATOM 0 HG21 THR A 65 -26.067 -13.328 -13.143 1.00 0.00 H new ATOM 0 HG22 THR A 65 -25.653 -11.598 -13.210 1.00 0.00 H new ATOM 0 HG23 THR A 65 -24.964 -12.726 -14.402 1.00 0.00 H new ATOM 1051 N PRO A 66 -23.654 -9.971 -11.303 1.00 0.00 N ATOM 1052 CA PRO A 66 -24.157 -8.623 -11.012 1.00 0.00 C ATOM 1053 C PRO A 66 -23.150 -7.538 -11.380 1.00 0.00 C ATOM 1054 O PRO A 66 -22.263 -7.753 -12.206 1.00 0.00 O ATOM 1055 CB PRO A 66 -24.397 -8.639 -9.493 1.00 0.00 C ATOM 1056 CG PRO A 66 -24.329 -10.076 -9.096 1.00 0.00 C ATOM 1057 CD PRO A 66 -23.390 -10.720 -10.071 1.00 0.00 C ATOM 0 HA PRO A 66 -25.051 -8.393 -11.591 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -23.643 -8.051 -8.970 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -25.367 -8.208 -9.244 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -23.967 -10.183 -8.074 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -25.314 -10.541 -9.135 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -22.351 -10.629 -9.755 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -23.595 -11.784 -10.190 1.00 0.00 H new ATOM 1065 N MET A 67 -23.295 -6.371 -10.760 1.00 0.00 N ATOM 1066 CA MET A 67 -22.401 -5.248 -11.021 1.00 0.00 C ATOM 1067 C MET A 67 -22.358 -4.313 -9.819 1.00 0.00 C ATOM 1068 O MET A 67 -21.932 -3.163 -9.925 1.00 0.00 O ATOM 1069 CB MET A 67 -22.859 -4.483 -12.264 1.00 0.00 C ATOM 1070 CG MET A 67 -24.282 -3.958 -12.165 1.00 0.00 C ATOM 1071 SD MET A 67 -24.793 -3.053 -13.640 1.00 0.00 S ATOM 1072 CE MET A 67 -26.469 -2.602 -13.197 1.00 0.00 C ATOM 0 H MET A 67 -24.024 -6.178 -10.073 1.00 0.00 H new ATOM 0 HA MET A 67 -21.399 -5.638 -11.197 1.00 0.00 H new ATOM 0 HB2 MET A 67 -22.183 -3.645 -12.435 1.00 0.00 H new ATOM 0 HB3 MET A 67 -22.782 -5.137 -13.132 1.00 0.00 H new ATOM 0 HG2 MET A 67 -24.963 -4.793 -12.002 1.00 0.00 H new ATOM 0 HG3 MET A 67 -24.365 -3.305 -11.296 1.00 0.00 H new ATOM 0 HE1 MET A 67 -26.921 -2.035 -14.011 1.00 0.00 H new ATOM 0 HE2 MET A 67 -27.053 -3.504 -13.015 1.00 0.00 H new ATOM 0 HE3 MET A 67 -26.455 -1.991 -12.294 1.00 0.00 H new ATOM 1082 N VAL A 68 -22.800 -4.824 -8.677 1.00 0.00 N ATOM 1083 CA VAL A 68 -22.827 -4.048 -7.445 1.00 0.00 C ATOM 1084 C VAL A 68 -21.886 -4.645 -6.402 1.00 0.00 C ATOM 1085 O VAL A 68 -22.059 -5.787 -5.977 1.00 0.00 O ATOM 1086 CB VAL A 68 -24.255 -3.984 -6.872 1.00 0.00 C ATOM 1087 CG1 VAL A 68 -24.255 -3.368 -5.479 1.00 0.00 C ATOM 1088 CG2 VAL A 68 -25.167 -3.203 -7.805 1.00 0.00 C ATOM 0 H VAL A 68 -23.147 -5.778 -8.579 1.00 0.00 H new ATOM 0 HA VAL A 68 -22.493 -3.039 -7.685 1.00 0.00 H new ATOM 0 HB VAL A 68 -24.635 -5.002 -6.789 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -25.275 -3.334 -5.096 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -23.638 -3.972 -4.814 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -23.852 -2.356 -5.529 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -26.172 -3.167 -7.385 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -24.786 -2.188 -7.921 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -25.197 -3.693 -8.778 1.00 0.00 H new ATOM 1098 N GLY A 69 -20.892 -3.862 -5.995 1.00 0.00 N ATOM 1099 CA GLY A 69 -19.936 -4.325 -5.006 1.00 0.00 C ATOM 1100 C GLY A 69 -18.501 -4.126 -5.452 1.00 0.00 C ATOM 1101 O GLY A 69 -17.775 -3.312 -4.881 1.00 0.00 O ATOM 0 H GLY A 69 -20.731 -2.913 -6.333 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -20.100 -3.792 -4.069 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -20.108 -5.383 -4.806 1.00 0.00 H new ATOM 1105 N VAL A 70 -18.097 -4.869 -6.479 1.00 0.00 N ATOM 1106 CA VAL A 70 -16.745 -4.778 -7.012 1.00 0.00 C ATOM 1107 C VAL A 70 -15.701 -4.971 -5.914 1.00 0.00 C ATOM 1108 O VAL A 70 -15.275 -4.012 -5.270 1.00 0.00 O ATOM 1109 CB VAL A 70 -16.517 -3.426 -7.710 1.00 0.00 C ATOM 1110 CG1 VAL A 70 -15.079 -3.297 -8.193 1.00 0.00 C ATOM 1111 CG2 VAL A 70 -17.490 -3.253 -8.865 1.00 0.00 C ATOM 0 H VAL A 70 -18.692 -5.544 -6.959 1.00 0.00 H new ATOM 0 HA VAL A 70 -16.633 -5.578 -7.744 1.00 0.00 H new ATOM 0 HB VAL A 70 -16.699 -2.634 -6.984 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -14.945 -2.332 -8.683 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -14.402 -3.369 -7.342 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -14.860 -4.097 -8.901 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -17.315 -2.291 -9.347 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -17.342 -4.054 -9.589 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -18.512 -3.289 -8.488 1.00 0.00 H new ATOM 1121 N GLY A 71 -15.300 -6.222 -5.704 1.00 0.00 N ATOM 1122 CA GLY A 71 -14.308 -6.525 -4.689 1.00 0.00 C ATOM 1123 C GLY A 71 -13.044 -7.126 -5.273 1.00 0.00 C ATOM 1124 O GLY A 71 -13.105 -8.035 -6.101 1.00 0.00 O ATOM 0 H GLY A 71 -15.645 -7.031 -6.220 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -14.056 -5.613 -4.148 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -14.735 -7.218 -3.964 1.00 0.00 H new ATOM 1128 N GLY A 72 -11.895 -6.616 -4.840 1.00 0.00 N ATOM 1129 CA GLY A 72 -10.622 -7.116 -5.332 1.00 0.00 C ATOM 1130 C GLY A 72 -9.612 -7.310 -4.220 1.00 0.00 C ATOM 1131 O GLY A 72 -9.908 -7.950 -3.210 1.00 0.00 O ATOM 0 H GLY A 72 -11.822 -5.863 -4.155 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -10.781 -8.064 -5.845 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -10.220 -6.419 -6.067 1.00 0.00 H new ATOM 1135 N ILE A 73 -8.417 -6.755 -4.400 1.00 0.00 N ATOM 1136 CA ILE A 73 -7.369 -6.865 -3.401 1.00 0.00 C ATOM 1137 C ILE A 73 -6.561 -5.579 -3.315 1.00 0.00 C ATOM 1138 O ILE A 73 -6.969 -4.537 -3.828 1.00 0.00 O ATOM 1139 CB ILE A 73 -6.398 -8.027 -3.683 1.00 0.00 C ATOM 1140 CG1 ILE A 73 -5.750 -7.887 -5.057 1.00 0.00 C ATOM 1141 CG2 ILE A 73 -7.090 -9.371 -3.547 1.00 0.00 C ATOM 1142 CD1 ILE A 73 -4.383 -8.533 -5.122 1.00 0.00 C ATOM 0 H ILE A 73 -8.154 -6.225 -5.231 1.00 0.00 H new ATOM 0 HA ILE A 73 -7.879 -7.058 -2.457 1.00 0.00 H new ATOM 0 HB ILE A 73 -5.608 -7.980 -2.933 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -6.398 -8.339 -5.808 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -5.661 -6.830 -5.307 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -6.377 -10.170 -3.752 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -7.476 -9.481 -2.533 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -7.915 -9.429 -4.257 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -3.967 -8.404 -6.121 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -3.724 -8.064 -4.391 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -4.472 -9.596 -4.900 1.00 0.00 H new ATOM 1154 N TYR A 74 -5.410 -5.666 -2.659 1.00 0.00 N ATOM 1155 CA TYR A 74 -4.532 -4.522 -2.493 1.00 0.00 C ATOM 1156 C TYR A 74 -3.086 -4.926 -2.771 1.00 0.00 C ATOM 1157 O TYR A 74 -2.426 -5.523 -1.920 1.00 0.00 O ATOM 1158 CB TYR A 74 -4.674 -3.973 -1.071 1.00 0.00 C ATOM 1159 CG TYR A 74 -6.085 -4.079 -0.526 1.00 0.00 C ATOM 1160 CD1 TYR A 74 -6.541 -5.257 0.061 1.00 0.00 C ATOM 1161 CD2 TYR A 74 -6.964 -3.008 -0.600 1.00 0.00 C ATOM 1162 CE1 TYR A 74 -7.826 -5.360 0.555 1.00 0.00 C ATOM 1163 CE2 TYR A 74 -8.252 -3.108 -0.104 1.00 0.00 C ATOM 1164 CZ TYR A 74 -8.676 -4.284 0.471 1.00 0.00 C ATOM 1165 OH TYR A 74 -9.958 -4.384 0.962 1.00 0.00 O ATOM 0 H TYR A 74 -5.064 -6.525 -2.232 1.00 0.00 H new ATOM 0 HA TYR A 74 -4.812 -3.743 -3.203 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -3.995 -4.513 -0.411 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -4.365 -2.928 -1.060 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -5.877 -6.106 0.131 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -6.638 -2.083 -1.051 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -8.162 -6.282 1.006 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -8.923 -2.264 -0.168 1.00 0.00 H new ATOM 0 HH TYR A 74 -10.428 -3.535 0.826 1.00 0.00 H new ATOM 1175 N VAL A 75 -2.603 -4.607 -3.972 1.00 0.00 N ATOM 1176 CA VAL A 75 -1.240 -4.948 -4.367 1.00 0.00 C ATOM 1177 C VAL A 75 -0.261 -3.870 -3.927 1.00 0.00 C ATOM 1178 O VAL A 75 -0.184 -2.802 -4.531 1.00 0.00 O ATOM 1179 CB VAL A 75 -1.124 -5.145 -5.892 1.00 0.00 C ATOM 1180 CG1 VAL A 75 0.327 -5.350 -6.302 1.00 0.00 C ATOM 1181 CG2 VAL A 75 -1.980 -6.317 -6.344 1.00 0.00 C ATOM 0 H VAL A 75 -3.137 -4.113 -4.687 1.00 0.00 H new ATOM 0 HA VAL A 75 -0.992 -5.887 -3.872 1.00 0.00 H new ATOM 0 HB VAL A 75 -1.490 -4.242 -6.382 1.00 0.00 H new ATOM 0 HG11 VAL A 75 0.384 -5.487 -7.382 1.00 0.00 H new ATOM 0 HG12 VAL A 75 0.913 -4.477 -6.015 1.00 0.00 H new ATOM 0 HG13 VAL A 75 0.725 -6.234 -5.803 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -1.886 -6.441 -7.423 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -1.646 -7.226 -5.843 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -3.023 -6.125 -6.090 1.00 0.00 H new ATOM 1191 N VAL A 76 0.489 -4.159 -2.874 1.00 0.00 N ATOM 1192 CA VAL A 76 1.456 -3.205 -2.346 1.00 0.00 C ATOM 1193 C VAL A 76 2.897 -3.608 -2.657 1.00 0.00 C ATOM 1194 O VAL A 76 3.350 -4.683 -2.261 1.00 0.00 O ATOM 1195 CB VAL A 76 1.307 -3.050 -0.821 1.00 0.00 C ATOM 1196 CG1 VAL A 76 2.226 -1.954 -0.305 1.00 0.00 C ATOM 1197 CG2 VAL A 76 -0.140 -2.765 -0.448 1.00 0.00 C ATOM 0 H VAL A 76 0.448 -5.044 -2.368 1.00 0.00 H new ATOM 0 HA VAL A 76 1.244 -2.256 -2.839 1.00 0.00 H new ATOM 0 HB VAL A 76 1.598 -3.989 -0.349 1.00 0.00 H new ATOM 0 HG11 VAL A 76 2.108 -1.858 0.774 1.00 0.00 H new ATOM 0 HG12 VAL A 76 3.261 -2.208 -0.535 1.00 0.00 H new ATOM 0 HG13 VAL A 76 1.969 -1.009 -0.783 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -0.223 -2.659 0.634 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -0.465 -1.842 -0.929 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -0.771 -3.589 -0.781 1.00 0.00 H new ATOM 1207 N LEU A 77 3.610 -2.737 -3.374 1.00 0.00 N ATOM 1208 CA LEU A 77 5.008 -2.979 -3.712 1.00 0.00 C ATOM 1209 C LEU A 77 5.897 -2.014 -2.948 1.00 0.00 C ATOM 1210 O LEU A 77 6.048 -0.860 -3.336 1.00 0.00 O ATOM 1211 CB LEU A 77 5.249 -2.814 -5.214 1.00 0.00 C ATOM 1212 CG LEU A 77 4.581 -3.873 -6.094 1.00 0.00 C ATOM 1213 CD1 LEU A 77 4.875 -3.606 -7.563 1.00 0.00 C ATOM 1214 CD2 LEU A 77 5.046 -5.266 -5.700 1.00 0.00 C ATOM 0 H LEU A 77 3.238 -1.857 -3.731 1.00 0.00 H new ATOM 0 HA LEU A 77 5.251 -4.005 -3.434 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.891 -1.831 -5.519 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.323 -2.833 -5.399 1.00 0.00 H new ATOM 0 HG LEU A 77 3.503 -3.817 -5.943 1.00 0.00 H new ATOM 0 HD11 LEU A 77 4.393 -4.368 -8.175 1.00 0.00 H new ATOM 0 HD12 LEU A 77 4.491 -2.623 -7.838 1.00 0.00 H new ATOM 0 HD13 LEU A 77 5.952 -3.635 -7.730 1.00 0.00 H new ATOM 0 HD21 LEU A 77 4.560 -6.005 -6.337 1.00 0.00 H new ATOM 0 HD22 LEU A 77 6.127 -5.337 -5.821 1.00 0.00 H new ATOM 0 HD23 LEU A 77 4.785 -5.456 -4.659 1.00 0.00 H new ATOM 1226 N VAL A 78 6.494 -2.488 -1.869 1.00 0.00 N ATOM 1227 CA VAL A 78 7.348 -1.636 -1.055 1.00 0.00 C ATOM 1228 C VAL A 78 8.812 -1.785 -1.452 1.00 0.00 C ATOM 1229 O VAL A 78 9.444 -2.804 -1.172 1.00 0.00 O ATOM 1230 CB VAL A 78 7.180 -1.936 0.446 1.00 0.00 C ATOM 1231 CG1 VAL A 78 6.821 -0.665 1.207 1.00 0.00 C ATOM 1232 CG2 VAL A 78 6.129 -3.011 0.669 1.00 0.00 C ATOM 0 H VAL A 78 6.406 -3.448 -1.537 1.00 0.00 H new ATOM 0 HA VAL A 78 7.038 -0.607 -1.237 1.00 0.00 H new ATOM 0 HB VAL A 78 8.130 -2.309 0.828 1.00 0.00 H new ATOM 0 HG11 VAL A 78 6.706 -0.895 2.266 1.00 0.00 H new ATOM 0 HG12 VAL A 78 7.614 0.072 1.080 1.00 0.00 H new ATOM 0 HG13 VAL A 78 5.886 -0.261 0.820 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.028 -3.206 1.737 1.00 0.00 H new ATOM 0 HG22 VAL A 78 5.173 -2.673 0.270 1.00 0.00 H new ATOM 0 HG23 VAL A 78 6.431 -3.926 0.160 1.00 0.00 H new ATOM 1242 N LYS A 79 9.339 -0.758 -2.114 1.00 0.00 N ATOM 1243 CA LYS A 79 10.727 -0.760 -2.565 1.00 0.00 C ATOM 1244 C LYS A 79 11.575 0.226 -1.763 1.00 0.00 C ATOM 1245 O LYS A 79 11.504 1.434 -1.982 1.00 0.00 O ATOM 1246 CB LYS A 79 10.796 -0.409 -4.052 1.00 0.00 C ATOM 1247 CG LYS A 79 10.628 -1.610 -4.967 1.00 0.00 C ATOM 1248 CD LYS A 79 10.764 -1.218 -6.431 1.00 0.00 C ATOM 1249 CE LYS A 79 9.610 -0.338 -6.886 1.00 0.00 C ATOM 1250 NZ LYS A 79 8.298 -1.025 -6.747 1.00 0.00 N ATOM 0 H LYS A 79 8.823 0.089 -2.351 1.00 0.00 H new ATOM 0 HA LYS A 79 11.128 -1.761 -2.407 1.00 0.00 H new ATOM 0 HB2 LYS A 79 10.021 0.323 -4.281 1.00 0.00 H new ATOM 0 HB3 LYS A 79 11.755 0.066 -4.261 1.00 0.00 H new ATOM 0 HG2 LYS A 79 11.375 -2.364 -4.720 1.00 0.00 H new ATOM 0 HG3 LYS A 79 9.651 -2.063 -4.800 1.00 0.00 H new ATOM 0 HD2 LYS A 79 11.706 -0.690 -6.581 1.00 0.00 H new ATOM 0 HD3 LYS A 79 10.801 -2.117 -7.047 1.00 0.00 H new ATOM 0 HE2 LYS A 79 9.602 0.581 -6.300 1.00 0.00 H new ATOM 0 HE3 LYS A 79 9.761 -0.051 -7.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 7.596 -0.560 -7.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 8.396 -2.021 -7.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 7.983 -0.975 -5.757 1.00 0.00 H new ATOM 1264 N PRO A 80 12.394 -0.276 -0.821 1.00 0.00 N ATOM 1265 CA PRO A 80 13.258 0.571 0.008 1.00 0.00 C ATOM 1266 C PRO A 80 14.108 1.532 -0.821 1.00 0.00 C ATOM 1267 O PRO A 80 15.122 1.139 -1.398 1.00 0.00 O ATOM 1268 CB PRO A 80 14.150 -0.432 0.741 1.00 0.00 C ATOM 1269 CG PRO A 80 13.368 -1.699 0.765 1.00 0.00 C ATOM 1270 CD PRO A 80 12.533 -1.705 -0.486 1.00 0.00 C ATOM 0 HA PRO A 80 12.676 1.210 0.672 1.00 0.00 H new ATOM 0 HB2 PRO A 80 15.101 -0.565 0.225 1.00 0.00 H new ATOM 0 HB3 PRO A 80 14.380 -0.091 1.750 1.00 0.00 H new ATOM 0 HG2 PRO A 80 14.031 -2.564 0.794 1.00 0.00 H new ATOM 0 HG3 PRO A 80 12.738 -1.750 1.653 1.00 0.00 H new ATOM 0 HD2 PRO A 80 13.019 -2.259 -1.289 1.00 0.00 H new ATOM 0 HD3 PRO A 80 11.563 -2.173 -0.318 1.00 0.00 H new ATOM 1278 N ARG A 81 13.684 2.791 -0.881 1.00 0.00 N ATOM 1279 CA ARG A 81 14.409 3.808 -1.635 1.00 0.00 C ATOM 1280 C ARG A 81 15.709 4.182 -0.930 1.00 0.00 C ATOM 1281 O ARG A 81 16.729 4.428 -1.573 1.00 0.00 O ATOM 1282 CB ARG A 81 13.550 5.059 -1.810 1.00 0.00 C ATOM 1283 CG ARG A 81 13.069 5.278 -3.232 1.00 0.00 C ATOM 1284 CD ARG A 81 12.151 6.484 -3.319 1.00 0.00 C ATOM 1285 NE ARG A 81 11.761 6.780 -4.696 1.00 0.00 N ATOM 1286 CZ ARG A 81 11.274 7.952 -5.090 1.00 0.00 C ATOM 1287 NH1 ARG A 81 11.118 8.937 -4.216 1.00 0.00 N ATOM 1288 NH2 ARG A 81 10.942 8.140 -6.360 1.00 0.00 N ATOM 0 H ARG A 81 12.842 3.131 -0.416 1.00 0.00 H new ATOM 0 HA ARG A 81 14.644 3.392 -2.615 1.00 0.00 H new ATOM 0 HB2 ARG A 81 12.685 4.989 -1.151 1.00 0.00 H new ATOM 0 HB3 ARG A 81 14.124 5.930 -1.492 1.00 0.00 H new ATOM 0 HG2 ARG A 81 13.925 5.421 -3.891 1.00 0.00 H new ATOM 0 HG3 ARG A 81 12.542 4.390 -3.582 1.00 0.00 H new ATOM 0 HD2 ARG A 81 11.258 6.303 -2.721 1.00 0.00 H new ATOM 0 HD3 ARG A 81 12.652 7.352 -2.890 1.00 0.00 H new ATOM 0 HE ARG A 81 11.869 6.045 -5.395 1.00 0.00 H new ATOM 0 HH11 ARG A 81 11.372 8.796 -3.238 1.00 0.00 H new ATOM 0 HH12 ARG A 81 10.744 9.835 -4.522 1.00 0.00 H new ATOM 0 HH21 ARG A 81 11.060 7.385 -7.035 1.00 0.00 H new ATOM 0 HH22 ARG A 81 10.568 9.040 -6.662 1.00 0.00 H new ATOM 1302 N LYS A 82 15.659 4.219 0.397 1.00 0.00 N ATOM 1303 CA LYS A 82 16.823 4.569 1.201 1.00 0.00 C ATOM 1304 C LYS A 82 17.192 3.430 2.147 1.00 0.00 C ATOM 1305 O LYS A 82 16.477 2.433 2.241 1.00 0.00 O ATOM 1306 CB LYS A 82 16.538 5.841 2.007 1.00 0.00 C ATOM 1307 CG LYS A 82 15.976 6.980 1.172 1.00 0.00 C ATOM 1308 CD LYS A 82 15.785 8.240 2.001 1.00 0.00 C ATOM 1309 CE LYS A 82 15.203 9.372 1.168 1.00 0.00 C ATOM 1310 NZ LYS A 82 16.099 9.751 0.042 1.00 0.00 N ATOM 0 H LYS A 82 14.821 4.010 0.940 1.00 0.00 H new ATOM 0 HA LYS A 82 17.663 4.746 0.529 1.00 0.00 H new ATOM 0 HB2 LYS A 82 15.834 5.605 2.805 1.00 0.00 H new ATOM 0 HB3 LYS A 82 17.460 6.173 2.484 1.00 0.00 H new ATOM 0 HG2 LYS A 82 16.649 7.189 0.341 1.00 0.00 H new ATOM 0 HG3 LYS A 82 15.021 6.679 0.741 1.00 0.00 H new ATOM 0 HD2 LYS A 82 15.124 8.027 2.841 1.00 0.00 H new ATOM 0 HD3 LYS A 82 16.742 8.550 2.420 1.00 0.00 H new ATOM 0 HE2 LYS A 82 14.233 9.071 0.774 1.00 0.00 H new ATOM 0 HE3 LYS A 82 15.033 10.240 1.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 15.783 10.655 -0.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 17.073 9.850 0.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 16.068 9.013 -0.690 1.00 0.00 H new ATOM 1324 N ARG A 83 18.318 3.580 2.835 1.00 0.00 N ATOM 1325 CA ARG A 83 18.776 2.570 3.781 1.00 0.00 C ATOM 1326 C ARG A 83 18.657 3.081 5.213 1.00 0.00 C ATOM 1327 O ARG A 83 18.988 4.232 5.498 1.00 0.00 O ATOM 1328 CB ARG A 83 20.226 2.199 3.483 1.00 0.00 C ATOM 1329 CG ARG A 83 20.528 2.098 1.998 1.00 0.00 C ATOM 1330 CD ARG A 83 21.995 2.361 1.711 1.00 0.00 C ATOM 1331 NE ARG A 83 22.431 3.655 2.229 1.00 0.00 N ATOM 1332 CZ ARG A 83 23.669 4.123 2.100 1.00 0.00 C ATOM 1333 NH1 ARG A 83 24.591 3.405 1.472 1.00 0.00 N ATOM 1334 NH2 ARG A 83 23.987 5.309 2.600 1.00 0.00 N ATOM 0 H ARG A 83 18.931 4.392 2.755 1.00 0.00 H new ATOM 0 HA ARG A 83 18.148 1.686 3.674 1.00 0.00 H new ATOM 0 HB2 ARG A 83 20.884 2.944 3.930 1.00 0.00 H new ATOM 0 HB3 ARG A 83 20.455 1.245 3.959 1.00 0.00 H new ATOM 0 HG2 ARG A 83 20.258 1.106 1.637 1.00 0.00 H new ATOM 0 HG3 ARG A 83 19.915 2.814 1.451 1.00 0.00 H new ATOM 0 HD2 ARG A 83 22.599 1.570 2.156 1.00 0.00 H new ATOM 0 HD3 ARG A 83 22.166 2.325 0.635 1.00 0.00 H new ATOM 0 HE ARG A 83 21.747 4.233 2.718 1.00 0.00 H new ATOM 0 HH11 ARG A 83 24.351 2.492 1.087 1.00 0.00 H new ATOM 0 HH12 ARG A 83 25.540 3.766 1.374 1.00 0.00 H new ATOM 0 HH21 ARG A 83 23.282 5.864 3.085 1.00 0.00 H new ATOM 0 HH22 ARG A 83 24.937 5.666 2.500 1.00 0.00 H new ATOM 1348 N GLY A 84 18.184 2.222 6.110 1.00 0.00 N ATOM 1349 CA GLY A 84 18.036 2.614 7.500 1.00 0.00 C ATOM 1350 C GLY A 84 16.782 2.049 8.138 1.00 0.00 C ATOM 1351 O GLY A 84 16.617 0.833 8.226 1.00 0.00 O ATOM 0 H GLY A 84 17.901 1.265 5.901 1.00 0.00 H new ATOM 0 HA2 GLY A 84 18.907 2.279 8.062 1.00 0.00 H new ATOM 0 HA3 GLY A 84 18.014 3.702 7.566 1.00 0.00 H new ATOM 1355 N HIS A 85 15.897 2.937 8.585 1.00 0.00 N ATOM 1356 CA HIS A 85 14.654 2.521 9.225 1.00 0.00 C ATOM 1357 C HIS A 85 13.448 2.824 8.341 1.00 0.00 C ATOM 1358 O HIS A 85 12.981 3.962 8.280 1.00 0.00 O ATOM 1359 CB HIS A 85 14.497 3.217 10.577 1.00 0.00 C ATOM 1360 CG HIS A 85 15.612 2.927 11.533 1.00 0.00 C ATOM 1361 ND1 HIS A 85 16.639 3.813 11.783 1.00 0.00 N ATOM 1362 CD2 HIS A 85 15.857 1.841 12.305 1.00 0.00 C ATOM 1363 CE1 HIS A 85 17.468 3.284 12.667 1.00 0.00 C ATOM 1364 NE2 HIS A 85 17.016 2.090 13.000 1.00 0.00 N ATOM 0 H HIS A 85 16.018 3.947 8.515 1.00 0.00 H new ATOM 0 HA HIS A 85 14.701 1.443 9.379 1.00 0.00 H new ATOM 0 HB2 HIS A 85 14.437 4.294 10.417 1.00 0.00 H new ATOM 0 HB3 HIS A 85 13.554 2.909 11.028 1.00 0.00 H new ATOM 0 HD2 HIS A 85 15.254 0.947 12.363 1.00 0.00 H new ATOM 0 HE1 HIS A 85 18.363 3.750 13.051 1.00 0.00 H new ATOM 0 HE2 HIS A 85 17.456 1.455 13.666 1.00 0.00 H new ATOM 1373 N HIS A 86 12.954 1.799 7.655 1.00 0.00 N ATOM 1374 CA HIS A 86 11.796 1.945 6.778 1.00 0.00 C ATOM 1375 C HIS A 86 10.660 1.044 7.246 1.00 0.00 C ATOM 1376 O HIS A 86 10.894 0.045 7.925 1.00 0.00 O ATOM 1377 CB HIS A 86 12.166 1.597 5.336 1.00 0.00 C ATOM 1378 CG HIS A 86 13.170 2.519 4.720 1.00 0.00 C ATOM 1379 ND1 HIS A 86 13.027 3.038 3.452 1.00 0.00 N ATOM 1380 CD2 HIS A 86 14.340 3.009 5.196 1.00 0.00 C ATOM 1381 CE1 HIS A 86 14.064 3.807 3.174 1.00 0.00 C ATOM 1382 NE2 HIS A 86 14.874 3.806 4.216 1.00 0.00 N ATOM 0 H HIS A 86 13.338 0.855 7.689 1.00 0.00 H new ATOM 0 HA HIS A 86 11.469 2.984 6.818 1.00 0.00 H new ATOM 0 HB2 HIS A 86 12.558 0.580 5.309 1.00 0.00 H new ATOM 0 HB3 HIS A 86 11.261 1.606 4.729 1.00 0.00 H new ATOM 0 HD2 HIS A 86 14.771 2.809 6.166 1.00 0.00 H new ATOM 0 HE1 HIS A 86 14.222 4.345 2.251 1.00 0.00 H new ATOM 0 HE2 HIS A 86 15.755 4.316 4.282 1.00 0.00 H new ATOM 1391 N THR A 87 9.430 1.397 6.882 1.00 0.00 N ATOM 1392 CA THR A 87 8.272 0.604 7.276 1.00 0.00 C ATOM 1393 C THR A 87 7.068 0.873 6.378 1.00 0.00 C ATOM 1394 O THR A 87 6.879 1.985 5.886 1.00 0.00 O ATOM 1395 CB THR A 87 7.871 0.886 8.735 1.00 0.00 C ATOM 1396 OG1 THR A 87 8.984 0.657 9.605 1.00 0.00 O ATOM 1397 CG2 THR A 87 6.708 0.000 9.147 1.00 0.00 C ATOM 0 H THR A 87 9.212 2.220 6.320 1.00 0.00 H new ATOM 0 HA THR A 87 8.567 -0.440 7.173 1.00 0.00 H new ATOM 0 HB THR A 87 7.564 1.929 8.812 1.00 0.00 H new ATOM 0 HG1 THR A 87 8.749 -0.030 10.264 1.00 0.00 H new ATOM 0 HG21 THR A 87 6.437 0.212 10.181 1.00 0.00 H new ATOM 0 HG22 THR A 87 5.853 0.198 8.500 1.00 0.00 H new ATOM 0 HG23 THR A 87 6.998 -1.047 9.055 1.00 0.00 H new ATOM 1405 N LEU A 88 6.250 -0.158 6.182 1.00 0.00 N ATOM 1406 CA LEU A 88 5.056 -0.050 5.355 1.00 0.00 C ATOM 1407 C LEU A 88 3.811 0.014 6.228 1.00 0.00 C ATOM 1408 O LEU A 88 3.227 -1.013 6.571 1.00 0.00 O ATOM 1409 CB LEU A 88 4.956 -1.239 4.402 1.00 0.00 C ATOM 1410 CG LEU A 88 3.643 -1.336 3.624 1.00 0.00 C ATOM 1411 CD1 LEU A 88 3.555 -0.231 2.584 1.00 0.00 C ATOM 1412 CD2 LEU A 88 3.513 -2.702 2.969 1.00 0.00 C ATOM 0 H LEU A 88 6.396 -1.082 6.588 1.00 0.00 H new ATOM 0 HA LEU A 88 5.128 0.867 4.770 1.00 0.00 H new ATOM 0 HB2 LEU A 88 5.779 -1.185 3.690 1.00 0.00 H new ATOM 0 HB3 LEU A 88 5.090 -2.157 4.975 1.00 0.00 H new ATOM 0 HG LEU A 88 2.817 -1.211 4.324 1.00 0.00 H new ATOM 0 HD11 LEU A 88 2.614 -0.317 2.041 1.00 0.00 H new ATOM 0 HD12 LEU A 88 3.601 0.739 3.079 1.00 0.00 H new ATOM 0 HD13 LEU A 88 4.387 -0.322 1.885 1.00 0.00 H new ATOM 0 HD21 LEU A 88 2.573 -2.754 2.420 1.00 0.00 H new ATOM 0 HD22 LEU A 88 4.344 -2.856 2.281 1.00 0.00 H new ATOM 0 HD23 LEU A 88 3.528 -3.476 3.736 1.00 0.00 H new ATOM 1424 N GLU A 89 3.419 1.223 6.592 1.00 0.00 N ATOM 1425 CA GLU A 89 2.250 1.424 7.428 1.00 0.00 C ATOM 1426 C GLU A 89 0.958 1.162 6.669 1.00 0.00 C ATOM 1427 O GLU A 89 0.450 2.041 5.983 1.00 0.00 O ATOM 1428 CB GLU A 89 2.245 2.845 7.978 1.00 0.00 C ATOM 1429 CG GLU A 89 3.326 3.079 9.012 1.00 0.00 C ATOM 1430 CD GLU A 89 3.378 4.515 9.494 1.00 0.00 C ATOM 1431 OE1 GLU A 89 2.680 4.835 10.478 1.00 0.00 O ATOM 1432 OE2 GLU A 89 4.115 5.319 8.886 1.00 0.00 O ATOM 0 H GLU A 89 3.896 2.083 6.320 1.00 0.00 H new ATOM 0 HA GLU A 89 2.304 0.709 8.249 1.00 0.00 H new ATOM 0 HB2 GLU A 89 2.377 3.548 7.156 1.00 0.00 H new ATOM 0 HB3 GLU A 89 1.272 3.054 8.423 1.00 0.00 H new ATOM 0 HG2 GLU A 89 3.156 2.421 9.864 1.00 0.00 H new ATOM 0 HG3 GLU A 89 4.293 2.808 8.588 1.00 0.00 H new ATOM 1439 N LEU A 90 0.438 -0.054 6.789 1.00 0.00 N ATOM 1440 CA LEU A 90 -0.818 -0.409 6.137 1.00 0.00 C ATOM 1441 C LEU A 90 -1.905 -0.585 7.185 1.00 0.00 C ATOM 1442 O LEU A 90 -1.694 -1.238 8.209 1.00 0.00 O ATOM 1443 CB LEU A 90 -0.677 -1.682 5.298 1.00 0.00 C ATOM 1444 CG LEU A 90 0.078 -1.513 3.977 1.00 0.00 C ATOM 1445 CD1 LEU A 90 0.115 -2.830 3.218 1.00 0.00 C ATOM 1446 CD2 LEU A 90 -0.560 -0.424 3.125 1.00 0.00 C ATOM 0 H LEU A 90 0.864 -0.808 7.329 1.00 0.00 H new ATOM 0 HA LEU A 90 -1.092 0.401 5.460 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -0.166 -2.437 5.896 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -1.673 -2.067 5.082 1.00 0.00 H new ATOM 0 HG LEU A 90 1.101 -1.212 4.203 1.00 0.00 H new ATOM 0 HD11 LEU A 90 0.655 -2.695 2.281 1.00 0.00 H new ATOM 0 HD12 LEU A 90 0.620 -3.584 3.822 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -0.903 -3.157 3.006 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -0.007 -0.322 2.191 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -1.594 -0.692 2.907 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -0.537 0.522 3.666 1.00 0.00 H new ATOM 1458 N VAL A 91 -3.067 -0.002 6.926 1.00 0.00 N ATOM 1459 CA VAL A 91 -4.173 -0.073 7.866 1.00 0.00 C ATOM 1460 C VAL A 91 -5.514 -0.263 7.154 1.00 0.00 C ATOM 1461 O VAL A 91 -5.674 0.111 5.984 1.00 0.00 O ATOM 1462 CB VAL A 91 -4.231 1.216 8.712 1.00 0.00 C ATOM 1463 CG1 VAL A 91 -4.371 2.436 7.810 1.00 0.00 C ATOM 1464 CG2 VAL A 91 -5.361 1.156 9.732 1.00 0.00 C ATOM 0 H VAL A 91 -3.267 0.524 6.075 1.00 0.00 H new ATOM 0 HA VAL A 91 -3.999 -0.937 8.507 1.00 0.00 H new ATOM 0 HB VAL A 91 -3.296 1.303 9.265 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.411 3.338 8.421 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.515 2.491 7.137 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -5.287 2.353 7.226 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -5.376 2.078 10.313 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -6.313 1.038 9.214 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -5.204 0.309 10.400 1.00 0.00 H new ATOM 1474 N TYR A 92 -6.465 -0.862 7.871 1.00 0.00 N ATOM 1475 CA TYR A 92 -7.810 -1.088 7.350 1.00 0.00 C ATOM 1476 C TYR A 92 -8.728 0.021 7.858 1.00 0.00 C ATOM 1477 O TYR A 92 -9.412 -0.139 8.867 1.00 0.00 O ATOM 1478 CB TYR A 92 -8.326 -2.460 7.796 1.00 0.00 C ATOM 1479 CG TYR A 92 -9.499 -2.979 6.990 1.00 0.00 C ATOM 1480 CD1 TYR A 92 -9.506 -2.903 5.603 1.00 0.00 C ATOM 1481 CD2 TYR A 92 -10.594 -3.558 7.620 1.00 0.00 C ATOM 1482 CE1 TYR A 92 -10.572 -3.386 4.866 1.00 0.00 C ATOM 1483 CE2 TYR A 92 -11.662 -4.044 6.890 1.00 0.00 C ATOM 1484 CZ TYR A 92 -11.646 -3.956 5.515 1.00 0.00 C ATOM 1485 OH TYR A 92 -12.709 -4.439 4.785 1.00 0.00 O ATOM 0 H TYR A 92 -6.325 -1.202 8.823 1.00 0.00 H new ATOM 0 HA TYR A 92 -7.791 -1.072 6.260 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -7.510 -3.180 7.732 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -8.618 -2.402 8.844 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -8.665 -2.459 5.091 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -10.611 -3.629 8.698 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -10.563 -3.317 3.788 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -12.506 -4.491 7.395 1.00 0.00 H new ATOM 0 HH TYR A 92 -13.445 -3.792 4.812 1.00 0.00 H new ATOM 1495 N THR A 93 -8.730 1.145 7.149 1.00 0.00 N ATOM 1496 CA THR A 93 -9.513 2.312 7.549 1.00 0.00 C ATOM 1497 C THR A 93 -10.601 2.679 6.546 1.00 0.00 C ATOM 1498 O THR A 93 -10.613 2.193 5.426 1.00 0.00 O ATOM 1499 CB THR A 93 -8.591 3.522 7.696 1.00 0.00 C ATOM 1500 OG1 THR A 93 -9.356 4.698 7.968 1.00 0.00 O ATOM 1501 CG2 THR A 93 -7.783 3.717 6.424 1.00 0.00 C ATOM 0 H THR A 93 -8.196 1.274 6.290 1.00 0.00 H new ATOM 0 HA THR A 93 -9.993 2.048 8.491 1.00 0.00 H new ATOM 0 HB THR A 93 -7.911 3.343 8.529 1.00 0.00 H new ATOM 0 HG1 THR A 93 -9.464 5.216 7.143 1.00 0.00 H new ATOM 0 HG21 THR A 93 -7.129 4.581 6.537 1.00 0.00 H new ATOM 0 HG22 THR A 93 -7.181 2.828 6.236 1.00 0.00 H new ATOM 0 HG23 THR A 93 -8.459 3.881 5.585 1.00 0.00 H new ATOM 1509 N ARG A 94 -11.504 3.566 6.964 1.00 0.00 N ATOM 1510 CA ARG A 94 -12.586 4.033 6.102 1.00 0.00 C ATOM 1511 C ARG A 94 -12.246 5.405 5.520 1.00 0.00 C ATOM 1512 O ARG A 94 -12.482 6.425 6.163 1.00 0.00 O ATOM 1513 CB ARG A 94 -13.902 4.121 6.881 1.00 0.00 C ATOM 1514 CG ARG A 94 -14.549 2.775 7.151 1.00 0.00 C ATOM 1515 CD ARG A 94 -15.854 2.927 7.914 1.00 0.00 C ATOM 1516 NE ARG A 94 -16.822 3.743 7.187 1.00 0.00 N ATOM 1517 CZ ARG A 94 -17.982 4.146 7.699 1.00 0.00 C ATOM 1518 NH1 ARG A 94 -18.315 3.811 8.938 1.00 0.00 N ATOM 1519 NH2 ARG A 94 -18.807 4.887 6.973 1.00 0.00 N ATOM 0 H ARG A 94 -11.506 3.976 7.898 1.00 0.00 H new ATOM 0 HA ARG A 94 -12.704 3.315 5.290 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -13.717 4.621 7.832 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -14.602 4.744 6.324 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -14.736 2.264 6.206 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -13.863 2.149 7.722 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -16.280 1.942 8.103 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -15.655 3.380 8.885 1.00 0.00 H new ATOM 0 HE ARG A 94 -16.596 4.020 6.232 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -17.681 3.243 9.501 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -19.205 4.121 9.328 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -18.553 5.149 6.021 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -19.696 5.195 7.367 1.00 0.00 H new ATOM 1533 N PRO A 95 -11.672 5.450 4.304 1.00 0.00 N ATOM 1534 CA PRO A 95 -11.300 6.709 3.646 1.00 0.00 C ATOM 1535 C PRO A 95 -12.368 7.793 3.765 1.00 0.00 C ATOM 1536 O PRO A 95 -12.069 8.984 3.688 1.00 0.00 O ATOM 1537 CB PRO A 95 -11.133 6.285 2.190 1.00 0.00 C ATOM 1538 CG PRO A 95 -10.651 4.878 2.270 1.00 0.00 C ATOM 1539 CD PRO A 95 -11.326 4.278 3.473 1.00 0.00 C ATOM 0 HA PRO A 95 -10.413 7.156 4.096 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -12.075 6.353 1.645 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -10.417 6.922 1.670 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -10.904 4.326 1.365 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -9.566 4.842 2.372 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -12.213 3.711 3.192 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -10.664 3.593 4.003 1.00 0.00 H new ATOM 1547 N PHE A 96 -13.613 7.373 3.954 1.00 0.00 N ATOM 1548 CA PHE A 96 -14.730 8.303 4.074 1.00 0.00 C ATOM 1549 C PHE A 96 -14.818 8.923 5.471 1.00 0.00 C ATOM 1550 O PHE A 96 -14.694 10.137 5.628 1.00 0.00 O ATOM 1551 CB PHE A 96 -16.041 7.589 3.739 1.00 0.00 C ATOM 1552 CG PHE A 96 -17.264 8.433 3.954 1.00 0.00 C ATOM 1553 CD1 PHE A 96 -17.666 9.350 2.997 1.00 0.00 C ATOM 1554 CD2 PHE A 96 -18.009 8.309 5.114 1.00 0.00 C ATOM 1555 CE1 PHE A 96 -18.791 10.128 3.193 1.00 0.00 C ATOM 1556 CE2 PHE A 96 -19.136 9.083 5.317 1.00 0.00 C ATOM 1557 CZ PHE A 96 -19.527 9.995 4.355 1.00 0.00 C ATOM 0 H PHE A 96 -13.876 6.390 4.028 1.00 0.00 H new ATOM 0 HA PHE A 96 -14.558 9.113 3.366 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -16.012 7.266 2.698 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -16.120 6.689 4.350 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -17.094 9.458 2.087 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -17.706 7.599 5.869 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -19.095 10.839 2.439 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -19.710 8.975 6.226 1.00 0.00 H new ATOM 0 HZ PHE A 96 -20.406 10.603 4.511 1.00 0.00 H new ATOM 1567 N GLU A 97 -15.030 8.083 6.481 1.00 0.00 N ATOM 1568 CA GLU A 97 -15.162 8.556 7.861 1.00 0.00 C ATOM 1569 C GLU A 97 -13.822 9.016 8.430 1.00 0.00 C ATOM 1570 O GLU A 97 -13.751 10.010 9.154 1.00 0.00 O ATOM 1571 CB GLU A 97 -15.756 7.446 8.743 1.00 0.00 C ATOM 1572 CG GLU A 97 -14.737 6.446 9.267 1.00 0.00 C ATOM 1573 CD GLU A 97 -14.042 6.926 10.525 1.00 0.00 C ATOM 1574 OE1 GLU A 97 -14.656 7.707 11.282 1.00 0.00 O ATOM 1575 OE2 GLU A 97 -12.885 6.517 10.758 1.00 0.00 O ATOM 0 H GLU A 97 -15.114 7.072 6.372 1.00 0.00 H new ATOM 0 HA GLU A 97 -15.833 9.415 7.856 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -16.265 7.905 9.590 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -16.512 6.909 8.170 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -15.235 5.498 9.471 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -13.992 6.254 8.495 1.00 0.00 H new ATOM 1582 N GLY A 98 -12.770 8.285 8.097 1.00 0.00 N ATOM 1583 CA GLY A 98 -11.446 8.602 8.595 1.00 0.00 C ATOM 1584 C GLY A 98 -10.735 7.363 9.075 1.00 0.00 C ATOM 1585 O GLY A 98 -11.160 6.247 8.778 1.00 0.00 O ATOM 0 H GLY A 98 -12.810 7.470 7.485 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -10.862 9.078 7.807 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -11.524 9.320 9.412 1.00 0.00 H new ATOM 1589 N ILE A 99 -9.660 7.549 9.821 1.00 0.00 N ATOM 1590 CA ILE A 99 -8.895 6.424 10.324 1.00 0.00 C ATOM 1591 C ILE A 99 -8.988 6.311 11.840 1.00 0.00 C ATOM 1592 O ILE A 99 -8.832 7.298 12.560 1.00 0.00 O ATOM 1593 CB ILE A 99 -7.427 6.535 9.899 1.00 0.00 C ATOM 1594 CG1 ILE A 99 -7.337 7.095 8.476 1.00 0.00 C ATOM 1595 CG2 ILE A 99 -6.759 5.170 9.986 1.00 0.00 C ATOM 1596 CD1 ILE A 99 -5.929 7.456 8.050 1.00 0.00 C ATOM 0 H ILE A 99 -9.299 8.464 10.090 1.00 0.00 H new ATOM 0 HA ILE A 99 -9.326 5.521 9.891 1.00 0.00 H new ATOM 0 HB ILE A 99 -6.906 7.217 10.571 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -7.740 6.360 7.780 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -7.967 7.981 8.404 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -5.716 5.256 9.683 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -6.810 4.805 11.012 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -7.273 4.471 9.326 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -5.945 7.845 7.032 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -5.529 8.215 8.722 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -5.298 6.568 8.089 1.00 0.00 H new ATOM 1608 N LYS A 100 -9.245 5.097 12.313 1.00 0.00 N ATOM 1609 CA LYS A 100 -9.372 4.836 13.741 1.00 0.00 C ATOM 1610 C LYS A 100 -8.338 3.806 14.199 1.00 0.00 C ATOM 1611 O LYS A 100 -7.850 3.009 13.398 1.00 0.00 O ATOM 1612 CB LYS A 100 -10.784 4.335 14.057 1.00 0.00 C ATOM 1613 CG LYS A 100 -11.849 4.896 13.129 1.00 0.00 C ATOM 1614 CD LYS A 100 -13.225 4.350 13.470 1.00 0.00 C ATOM 1615 CE LYS A 100 -14.252 5.464 13.575 1.00 0.00 C ATOM 1616 NZ LYS A 100 -15.564 4.966 14.076 1.00 0.00 N ATOM 0 H LYS A 100 -9.370 4.274 11.724 1.00 0.00 H new ATOM 0 HA LYS A 100 -9.192 5.767 14.278 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -10.797 3.247 13.996 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -11.033 4.599 15.085 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -11.860 5.984 13.200 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -11.602 4.647 12.097 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -13.535 3.638 12.706 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -13.179 3.805 14.413 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -13.879 6.240 14.244 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -14.388 5.925 12.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -16.237 5.757 14.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -15.933 4.244 13.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -15.439 4.549 15.020 1.00 0.00 H new ATOM 1630 N PRO A 101 -7.991 3.814 15.498 1.00 0.00 N ATOM 1631 CA PRO A 101 -7.007 2.884 16.067 1.00 0.00 C ATOM 1632 C PRO A 101 -7.505 1.442 16.093 1.00 0.00 C ATOM 1633 O PRO A 101 -6.793 0.521 15.693 1.00 0.00 O ATOM 1634 CB PRO A 101 -6.806 3.393 17.503 1.00 0.00 C ATOM 1635 CG PRO A 101 -7.423 4.753 17.536 1.00 0.00 C ATOM 1636 CD PRO A 101 -8.521 4.731 16.516 1.00 0.00 C ATOM 0 HA PRO A 101 -6.094 2.864 15.472 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -7.282 2.729 18.225 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -5.747 3.436 17.759 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -7.815 4.980 18.527 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -6.687 5.522 17.301 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -9.459 4.371 16.938 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -8.715 5.723 16.107 1.00 0.00 H new ATOM 1644 N GLU A 102 -8.731 1.258 16.570 1.00 0.00 N ATOM 1645 CA GLU A 102 -9.335 -0.070 16.668 1.00 0.00 C ATOM 1646 C GLU A 102 -9.301 -0.810 15.331 1.00 0.00 C ATOM 1647 O GLU A 102 -9.459 -2.030 15.286 1.00 0.00 O ATOM 1648 CB GLU A 102 -10.774 0.043 17.159 1.00 0.00 C ATOM 1649 CG GLU A 102 -11.598 1.005 16.336 1.00 0.00 C ATOM 1650 CD GLU A 102 -13.028 1.123 16.825 1.00 0.00 C ATOM 1651 OE1 GLU A 102 -13.292 1.991 17.684 1.00 0.00 O ATOM 1652 OE2 GLU A 102 -13.884 0.348 16.350 1.00 0.00 O ATOM 0 H GLU A 102 -9.331 2.015 16.897 1.00 0.00 H new ATOM 0 HA GLU A 102 -8.748 -0.645 17.384 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -11.240 -0.942 17.134 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -10.774 0.369 18.199 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -11.129 1.989 16.358 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -11.600 0.677 15.297 1.00 0.00 H new ATOM 1659 N ASN A 103 -9.096 -0.070 14.249 1.00 0.00 N ATOM 1660 CA ASN A 103 -9.048 -0.661 12.915 1.00 0.00 C ATOM 1661 C ASN A 103 -7.874 -1.625 12.777 1.00 0.00 C ATOM 1662 O ASN A 103 -6.893 -1.532 13.516 1.00 0.00 O ATOM 1663 CB ASN A 103 -8.951 0.437 11.857 1.00 0.00 C ATOM 1664 CG ASN A 103 -10.129 1.392 11.900 1.00 0.00 C ATOM 1665 OD1 ASN A 103 -10.014 2.551 11.505 1.00 0.00 O ATOM 1666 ND2 ASN A 103 -11.269 0.912 12.385 1.00 0.00 N ATOM 0 H ASN A 103 -8.960 0.941 14.267 1.00 0.00 H new ATOM 0 HA ASN A 103 -9.968 -1.226 12.765 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -8.028 0.997 12.004 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -8.893 -0.019 10.869 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -12.092 1.512 12.440 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -11.321 -0.056 12.702 1.00 0.00 H new ATOM 1673 N GLU A 104 -7.982 -2.552 11.826 1.00 0.00 N ATOM 1674 CA GLU A 104 -6.939 -3.530 11.585 1.00 0.00 C ATOM 1675 C GLU A 104 -5.610 -2.854 11.272 1.00 0.00 C ATOM 1676 O GLU A 104 -5.572 -1.694 10.862 1.00 0.00 O ATOM 1677 CB GLU A 104 -7.344 -4.444 10.437 1.00 0.00 C ATOM 1678 CG GLU A 104 -7.705 -5.845 10.892 1.00 0.00 C ATOM 1679 CD GLU A 104 -9.075 -5.915 11.537 1.00 0.00 C ATOM 1680 OE1 GLU A 104 -10.066 -6.124 10.806 1.00 0.00 O ATOM 1681 OE2 GLU A 104 -9.157 -5.760 12.774 1.00 0.00 O ATOM 0 H GLU A 104 -8.790 -2.641 11.210 1.00 0.00 H new ATOM 0 HA GLU A 104 -6.810 -4.122 12.491 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -8.195 -4.007 9.915 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -6.526 -4.501 9.719 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -7.676 -6.519 10.036 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -6.956 -6.197 11.601 1.00 0.00 H new ATOM 1688 N ARG A 105 -4.526 -3.597 11.456 1.00 0.00 N ATOM 1689 CA ARG A 105 -3.185 -3.075 11.217 1.00 0.00 C ATOM 1690 C ARG A 105 -2.381 -4.018 10.327 1.00 0.00 C ATOM 1691 O ARG A 105 -2.772 -5.163 10.109 1.00 0.00 O ATOM 1692 CB ARG A 105 -2.461 -2.893 12.558 1.00 0.00 C ATOM 1693 CG ARG A 105 -1.116 -2.190 12.459 1.00 0.00 C ATOM 1694 CD ARG A 105 -1.284 -0.690 12.581 1.00 0.00 C ATOM 1695 NE ARG A 105 -1.919 -0.328 13.842 1.00 0.00 N ATOM 1696 CZ ARG A 105 -2.048 0.923 14.275 1.00 0.00 C ATOM 1697 NH1 ARG A 105 -1.584 1.930 13.547 1.00 0.00 N ATOM 1698 NH2 ARG A 105 -2.641 1.166 15.435 1.00 0.00 N ATOM 0 H ARG A 105 -4.549 -4.567 11.771 1.00 0.00 H new ATOM 0 HA ARG A 105 -3.274 -2.115 10.708 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -3.105 -2.325 13.230 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -2.312 -3.873 13.012 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -0.453 -2.551 13.245 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -0.643 -2.431 11.507 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -0.310 -0.206 12.510 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -1.885 -0.321 11.750 1.00 0.00 H new ATOM 0 HE ARG A 105 -2.286 -1.078 14.427 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -1.127 1.746 12.654 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -1.684 2.889 13.880 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -2.999 0.393 15.997 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -2.739 2.126 15.766 1.00 0.00 H new ATOM 1712 N TYR A 106 -1.283 -3.503 9.785 1.00 0.00 N ATOM 1713 CA TYR A 106 -0.371 -4.282 8.958 1.00 0.00 C ATOM 1714 C TYR A 106 0.840 -3.428 8.608 1.00 0.00 C ATOM 1715 O TYR A 106 0.999 -2.970 7.477 1.00 0.00 O ATOM 1716 CB TYR A 106 -1.069 -4.801 7.699 1.00 0.00 C ATOM 1717 CG TYR A 106 -0.231 -5.763 6.889 1.00 0.00 C ATOM 1718 CD1 TYR A 106 -0.210 -7.115 7.200 1.00 0.00 C ATOM 1719 CD2 TYR A 106 0.532 -5.323 5.816 1.00 0.00 C ATOM 1720 CE1 TYR A 106 0.548 -8.004 6.467 1.00 0.00 C ATOM 1721 CE2 TYR A 106 1.294 -6.206 5.077 1.00 0.00 C ATOM 1722 CZ TYR A 106 1.299 -7.546 5.406 1.00 0.00 C ATOM 1723 OH TYR A 106 2.057 -8.429 4.672 1.00 0.00 O ATOM 0 H TYR A 106 -1.000 -2.531 9.908 1.00 0.00 H new ATOM 0 HA TYR A 106 -0.040 -5.156 9.518 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -1.997 -5.296 7.987 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -1.342 -3.953 7.070 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -0.797 -7.478 8.031 1.00 0.00 H new ATOM 0 HD2 TYR A 106 0.530 -4.275 5.555 1.00 0.00 H new ATOM 0 HE1 TYR A 106 0.553 -9.053 6.723 1.00 0.00 H new ATOM 0 HE2 TYR A 106 1.883 -5.849 4.245 1.00 0.00 H new ATOM 0 HH TYR A 106 1.631 -9.311 4.680 1.00 0.00 H new ATOM 1733 N THR A 107 1.685 -3.202 9.608 1.00 0.00 N ATOM 1734 CA THR A 107 2.878 -2.387 9.441 1.00 0.00 C ATOM 1735 C THR A 107 4.109 -3.249 9.184 1.00 0.00 C ATOM 1736 O THR A 107 4.733 -3.751 10.118 1.00 0.00 O ATOM 1737 CB THR A 107 3.126 -1.517 10.686 1.00 0.00 C ATOM 1738 OG1 THR A 107 1.925 -1.421 11.461 1.00 0.00 O ATOM 1739 CG2 THR A 107 3.582 -0.123 10.293 1.00 0.00 C ATOM 0 H THR A 107 1.562 -3.576 10.549 1.00 0.00 H new ATOM 0 HA THR A 107 2.708 -1.745 8.576 1.00 0.00 H new ATOM 0 HB THR A 107 3.911 -1.988 11.277 1.00 0.00 H new ATOM 0 HG1 THR A 107 2.140 -1.526 12.411 1.00 0.00 H new ATOM 0 HG21 THR A 107 3.750 0.471 11.191 1.00 0.00 H new ATOM 0 HG22 THR A 107 4.509 -0.190 9.724 1.00 0.00 H new ATOM 0 HG23 THR A 107 2.815 0.352 9.682 1.00 0.00 H new ATOM 1747 N LEU A 108 4.452 -3.421 7.911 1.00 0.00 N ATOM 1748 CA LEU A 108 5.612 -4.221 7.539 1.00 0.00 C ATOM 1749 C LEU A 108 6.902 -3.449 7.786 1.00 0.00 C ATOM 1750 O LEU A 108 7.360 -2.690 6.932 1.00 0.00 O ATOM 1751 CB LEU A 108 5.522 -4.648 6.071 1.00 0.00 C ATOM 1752 CG LEU A 108 6.786 -5.302 5.502 1.00 0.00 C ATOM 1753 CD1 LEU A 108 7.239 -6.456 6.382 1.00 0.00 C ATOM 1754 CD2 LEU A 108 6.542 -5.779 4.079 1.00 0.00 C ATOM 0 H LEU A 108 3.945 -3.018 7.123 1.00 0.00 H new ATOM 0 HA LEU A 108 5.621 -5.115 8.162 1.00 0.00 H new ATOM 0 HB2 LEU A 108 4.691 -5.345 5.963 1.00 0.00 H new ATOM 0 HB3 LEU A 108 5.283 -3.772 5.468 1.00 0.00 H new ATOM 0 HG LEU A 108 7.580 -4.555 5.486 1.00 0.00 H new ATOM 0 HD11 LEU A 108 8.138 -6.905 5.959 1.00 0.00 H new ATOM 0 HD12 LEU A 108 7.456 -6.086 7.384 1.00 0.00 H new ATOM 0 HD13 LEU A 108 6.449 -7.205 6.435 1.00 0.00 H new ATOM 0 HD21 LEU A 108 7.449 -6.241 3.690 1.00 0.00 H new ATOM 0 HD22 LEU A 108 5.732 -6.509 4.074 1.00 0.00 H new ATOM 0 HD23 LEU A 108 6.269 -4.930 3.452 1.00 0.00 H new ATOM 1766 N HIS A 109 7.483 -3.647 8.963 1.00 0.00 N ATOM 1767 CA HIS A 109 8.721 -2.971 9.327 1.00 0.00 C ATOM 1768 C HIS A 109 9.918 -3.629 8.652 1.00 0.00 C ATOM 1769 O HIS A 109 9.962 -4.848 8.481 1.00 0.00 O ATOM 1770 CB HIS A 109 8.895 -2.954 10.841 1.00 0.00 C ATOM 1771 CG HIS A 109 8.088 -1.895 11.524 1.00 0.00 C ATOM 1772 ND1 HIS A 109 8.612 -0.678 11.907 1.00 0.00 N ATOM 1773 CD2 HIS A 109 6.783 -1.873 11.888 1.00 0.00 C ATOM 1774 CE1 HIS A 109 7.666 0.047 12.477 1.00 0.00 C ATOM 1775 NE2 HIS A 109 6.547 -0.655 12.477 1.00 0.00 N ATOM 0 H HIS A 109 7.116 -4.271 9.682 1.00 0.00 H new ATOM 0 HA HIS A 109 8.663 -1.940 8.977 1.00 0.00 H new ATOM 0 HB2 HIS A 109 8.614 -3.928 11.242 1.00 0.00 H new ATOM 0 HB3 HIS A 109 9.949 -2.804 11.076 1.00 0.00 H new ATOM 0 HD2 HIS A 109 6.063 -2.665 11.742 1.00 0.00 H new ATOM 0 HE1 HIS A 109 7.787 1.044 12.875 1.00 0.00 H new ATOM 0 HE2 HIS A 109 5.652 -0.343 12.854 1.00 0.00 H new ATOM 1784 N LEU A 110 10.892 -2.805 8.287 1.00 0.00 N ATOM 1785 CA LEU A 110 12.091 -3.269 7.600 1.00 0.00 C ATOM 1786 C LEU A 110 13.314 -2.458 8.015 1.00 0.00 C ATOM 1787 O LEU A 110 13.403 -1.265 7.722 1.00 0.00 O ATOM 1788 CB LEU A 110 11.908 -3.147 6.083 1.00 0.00 C ATOM 1789 CG LEU A 110 10.721 -3.914 5.494 1.00 0.00 C ATOM 1790 CD1 LEU A 110 10.554 -3.574 4.021 1.00 0.00 C ATOM 1791 CD2 LEU A 110 10.898 -5.414 5.679 1.00 0.00 C ATOM 0 H LEU A 110 10.874 -1.800 8.458 1.00 0.00 H new ATOM 0 HA LEU A 110 12.248 -4.312 7.876 1.00 0.00 H new ATOM 0 HB2 LEU A 110 11.796 -2.092 5.833 1.00 0.00 H new ATOM 0 HB3 LEU A 110 12.819 -3.495 5.596 1.00 0.00 H new ATOM 0 HG LEU A 110 9.819 -3.613 6.027 1.00 0.00 H new ATOM 0 HD11 LEU A 110 9.707 -4.126 3.614 1.00 0.00 H new ATOM 0 HD12 LEU A 110 10.376 -2.504 3.912 1.00 0.00 H new ATOM 0 HD13 LEU A 110 11.459 -3.848 3.479 1.00 0.00 H new ATOM 0 HD21 LEU A 110 10.042 -5.937 5.252 1.00 0.00 H new ATOM 0 HD22 LEU A 110 11.809 -5.738 5.175 1.00 0.00 H new ATOM 0 HD23 LEU A 110 10.970 -5.643 6.742 1.00 0.00 H new ATOM 1803 N ASN A 111 14.250 -3.103 8.698 1.00 0.00 N ATOM 1804 CA ASN A 111 15.475 -2.440 9.118 1.00 0.00 C ATOM 1805 C ASN A 111 16.468 -2.459 7.966 1.00 0.00 C ATOM 1806 O ASN A 111 17.519 -3.098 8.039 1.00 0.00 O ATOM 1807 CB ASN A 111 16.067 -3.129 10.349 1.00 0.00 C ATOM 1808 CG ASN A 111 17.310 -2.430 10.864 1.00 0.00 C ATOM 1809 OD1 ASN A 111 17.452 -1.213 10.732 1.00 0.00 O ATOM 1810 ND2 ASN A 111 18.219 -3.197 11.455 1.00 0.00 N ATOM 0 H ASN A 111 14.184 -4.083 8.972 1.00 0.00 H new ATOM 0 HA ASN A 111 15.253 -1.408 9.389 1.00 0.00 H new ATOM 0 HB2 ASN A 111 15.317 -3.160 11.140 1.00 0.00 H new ATOM 0 HB3 ASN A 111 16.311 -4.162 10.101 1.00 0.00 H new ATOM 0 HD21 ASN A 111 19.076 -2.782 11.821 1.00 0.00 H new ATOM 0 HD22 ASN A 111 18.060 -4.201 11.543 1.00 0.00 H new ATOM 1817 N VAL A 112 16.110 -1.757 6.897 1.00 0.00 N ATOM 1818 CA VAL A 112 16.933 -1.694 5.695 1.00 0.00 C ATOM 1819 C VAL A 112 18.398 -1.441 6.035 1.00 0.00 C ATOM 1820 O VAL A 112 18.723 -0.514 6.777 1.00 0.00 O ATOM 1821 CB VAL A 112 16.445 -0.590 4.734 1.00 0.00 C ATOM 1822 CG1 VAL A 112 16.824 -0.930 3.304 1.00 0.00 C ATOM 1823 CG2 VAL A 112 14.943 -0.386 4.854 1.00 0.00 C ATOM 0 H VAL A 112 15.246 -1.218 6.839 1.00 0.00 H new ATOM 0 HA VAL A 112 16.841 -2.663 5.204 1.00 0.00 H new ATOM 0 HB VAL A 112 16.934 0.344 5.013 1.00 0.00 H new ATOM 0 HG11 VAL A 112 16.473 -0.142 2.637 1.00 0.00 H new ATOM 0 HG12 VAL A 112 17.908 -1.016 3.225 1.00 0.00 H new ATOM 0 HG13 VAL A 112 16.364 -1.877 3.021 1.00 0.00 H new ATOM 0 HG21 VAL A 112 14.626 0.398 4.166 1.00 0.00 H new ATOM 0 HG22 VAL A 112 14.429 -1.315 4.608 1.00 0.00 H new ATOM 0 HG23 VAL A 112 14.696 -0.094 5.875 1.00 0.00 H new ATOM 1833 N LYS A 113 19.279 -2.273 5.486 1.00 0.00 N ATOM 1834 CA LYS A 113 20.710 -2.143 5.730 1.00 0.00 C ATOM 1835 C LYS A 113 21.257 -0.867 5.098 1.00 0.00 C ATOM 1836 O LYS A 113 21.623 -0.908 3.903 1.00 0.00 O ATOM 1837 CB LYS A 113 21.453 -3.361 5.177 1.00 0.00 C ATOM 1838 CG LYS A 113 21.059 -4.669 5.841 1.00 0.00 C ATOM 1839 CD LYS A 113 21.489 -4.705 7.299 1.00 0.00 C ATOM 1840 CE LYS A 113 21.118 -6.022 7.958 1.00 0.00 C ATOM 1841 NZ LYS A 113 21.772 -7.182 7.291 1.00 0.00 N ATOM 1842 OXT LYS A 113 21.316 0.163 5.802 1.00 0.00 O ATOM 0 H LYS A 113 19.025 -3.045 4.869 1.00 0.00 H new ATOM 0 HA LYS A 113 20.867 -2.087 6.807 1.00 0.00 H new ATOM 0 HB2 LYS A 113 21.264 -3.436 4.106 1.00 0.00 H new ATOM 0 HB3 LYS A 113 22.525 -3.209 5.301 1.00 0.00 H new ATOM 0 HG2 LYS A 113 19.979 -4.801 5.776 1.00 0.00 H new ATOM 0 HG3 LYS A 113 21.515 -5.502 5.305 1.00 0.00 H new ATOM 0 HD2 LYS A 113 22.567 -4.555 7.365 1.00 0.00 H new ATOM 0 HD3 LYS A 113 21.019 -3.882 7.838 1.00 0.00 H new ATOM 0 HE2 LYS A 113 21.408 -5.997 9.008 1.00 0.00 H new ATOM 0 HE3 LYS A 113 20.036 -6.150 7.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 21.706 -8.018 7.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 21.295 -7.378 6.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 22.773 -6.961 7.113 1.00 0.00 H new TER 1856 LYS A 113