USER MOD reduce.3.24.130724 H: found=0, std=0, add=938, rem=0, adj=38 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 85 HIS : no HD1:sc= 0 X(o=-0.23,f=-0.11) USER MOD Set 1.2: A 111 ASN : amide:sc= -0.234 X(o=-0.23,f=-0.11) USER MOD Set 2.1: A 87 THR OG1 : rot -94:sc= 0.796 USER MOD Set 2.2: A 109 HIS : no HE2:sc= -2.32! C(o=-1.5!,f=-6.9!) USER MOD Set 3.1: A 58 TYR OH : rot 82:sc= -0.316 USER MOD Set 3.2: A 74 TYR OH : rot -117:sc= -0.557 USER MOD Set 4.1: A 29 ASN :FLIP amide:sc= -0.529 F(o=-4.4!,f=-0.59) USER MOD Set 4.2: A 31 THR OG1 : rot -170:sc= -0.0564 USER MOD Single : A 0 HIS : no HE2:sc= -0.49 K(o=-0.49,f=-1.3) USER MOD Single : A 1 MET CE :methyl -141:sc= -0.0871 (180deg=-0.575) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -1 SER OG : rot 180:sc= 0 USER MOD Single : A -2 GLY N :NH3+ -131:sc= 0.0689 (180deg=0) USER MOD Single : A 10 ASN :FLIP amide:sc= -3.27! C(o=-6.7!,f=-3.3!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.184 USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 20 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0288) USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.732 USER MOD Single : A 22 THR OG1 : rot 48:sc= 0.204 USER MOD Single : A 25 HIS : no HE2:sc= -3.52 K(o=-3.5,f=-4.3!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot -79:sc= 0.211 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 MET CE :methyl -107:sc= -7.54! (180deg=-8.35!) USER MOD Single : A 37 THR OG1 : rot 108:sc= -0.309 USER MOD Single : A 44 LYS NZ :NH3+ 175:sc= -0.0781 (180deg=-0.15) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 56 CYS SG : rot 180:sc= -2.2! USER MOD Single : A 57 LYS NZ :NH3+ -166:sc= -0.0438 (180deg=-0.246) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot -28:sc= 0.654 USER MOD Single : A 63 SER OG : rot 178:sc= -0.805 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ -166:sc= -0.0229 (180deg=-0.227) USER MOD Single : A 86 HIS : no HE2:sc= -8.01! C(o=-8!,f=-13!) USER MOD Single : A 92 TYR OH : rot 180:sc= 0.0497 USER MOD Single : A 93 THR OG1 : rot -172:sc= -1.81! USER MOD Single : A 100 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.0786) USER MOD Single : A 103 ASN : amide:sc= -10.6! C(o=-11!,f=-11!) USER MOD Single : A 106 TYR OH : rot 180:sc= -0.691 USER MOD Single : A 107 THR OG1 : rot 106:sc= 0.843 USER MOD Single : A 113 LYS NZ :NH3+ -165:sc= -0.0299 (180deg=-0.31) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -2 -5.713 -18.518 0.863 1.00 0.00 N ATOM 2 CA GLY A -2 -5.687 -17.774 2.152 1.00 0.00 C ATOM 3 C GLY A -2 -6.983 -17.910 2.926 1.00 0.00 C ATOM 4 O GLY A -2 -7.852 -18.703 2.562 1.00 0.00 O ATOM 0 H1 GLY A -2 -4.853 -19.096 0.778 1.00 0.00 H new ATOM 0 H2 GLY A -2 -6.549 -19.136 0.835 1.00 0.00 H new ATOM 0 H3 GLY A -2 -5.755 -17.843 0.073 1.00 0.00 H new ATOM 0 HA2 GLY A -2 -4.862 -18.141 2.763 1.00 0.00 H new ATOM 0 HA3 GLY A -2 -5.494 -16.719 1.955 1.00 0.00 H new ATOM 10 N SER A -1 -7.115 -17.134 3.998 1.00 0.00 N ATOM 11 CA SER A -1 -8.313 -17.171 4.827 1.00 0.00 C ATOM 12 C SER A -1 -8.709 -15.767 5.275 1.00 0.00 C ATOM 13 O SER A -1 -7.970 -15.107 6.007 1.00 0.00 O ATOM 14 CB SER A -1 -8.088 -18.064 6.049 1.00 0.00 C ATOM 15 OG SER A -1 -7.787 -19.393 5.660 1.00 0.00 O ATOM 0 H SER A -1 -6.406 -16.472 4.312 1.00 0.00 H new ATOM 0 HA SER A -1 -9.125 -17.585 4.228 1.00 0.00 H new ATOM 0 HB2 SER A -1 -7.272 -17.664 6.651 1.00 0.00 H new ATOM 0 HB3 SER A -1 -8.979 -18.058 6.677 1.00 0.00 H new ATOM 0 HG SER A -1 -7.646 -19.944 6.458 1.00 0.00 H new ATOM 21 N HIS A 0 -9.878 -15.317 4.832 1.00 0.00 N ATOM 22 CA HIS A 0 -10.373 -13.993 5.186 1.00 0.00 C ATOM 23 C HIS A 0 -11.334 -14.069 6.369 1.00 0.00 C ATOM 24 O HIS A 0 -12.265 -14.875 6.373 1.00 0.00 O ATOM 25 CB HIS A 0 -11.071 -13.350 3.986 1.00 0.00 C ATOM 26 CG HIS A 0 -11.576 -11.966 4.256 1.00 0.00 C ATOM 27 ND1 HIS A 0 -12.897 -11.688 4.542 1.00 0.00 N ATOM 28 CD2 HIS A 0 -10.930 -10.776 4.279 1.00 0.00 C ATOM 29 CE1 HIS A 0 -13.040 -10.387 4.729 1.00 0.00 C ATOM 30 NE2 HIS A 0 -11.862 -9.812 4.576 1.00 0.00 N ATOM 0 H HIS A 0 -10.501 -15.851 4.226 1.00 0.00 H new ATOM 0 HA HIS A 0 -9.520 -13.378 5.474 1.00 0.00 H new ATOM 0 HB2 HIS A 0 -10.376 -13.317 3.147 1.00 0.00 H new ATOM 0 HB3 HIS A 0 -11.907 -13.980 3.682 1.00 0.00 H new ATOM 0 HD1 HIS A 0 -13.646 -12.378 4.600 1.00 0.00 H new ATOM 0 HD2 HIS A 0 -9.878 -10.615 4.098 1.00 0.00 H new ATOM 0 HE1 HIS A 0 -13.964 -9.881 4.967 1.00 0.00 H new ATOM 39 N MET A 1 -11.099 -13.226 7.370 1.00 0.00 N ATOM 40 CA MET A 1 -11.944 -13.197 8.559 1.00 0.00 C ATOM 41 C MET A 1 -12.768 -11.915 8.609 1.00 0.00 C ATOM 42 O MET A 1 -12.475 -10.949 7.905 1.00 0.00 O ATOM 43 CB MET A 1 -11.088 -13.316 9.822 1.00 0.00 C ATOM 44 CG MET A 1 -10.260 -14.591 9.877 1.00 0.00 C ATOM 45 SD MET A 1 -11.272 -16.082 9.842 1.00 0.00 S ATOM 46 CE MET A 1 -12.232 -15.879 11.341 1.00 0.00 C ATOM 0 H MET A 1 -10.331 -12.555 7.381 1.00 0.00 H new ATOM 0 HA MET A 1 -12.627 -14.045 8.510 1.00 0.00 H new ATOM 0 HB2 MET A 1 -10.421 -12.456 9.881 1.00 0.00 H new ATOM 0 HB3 MET A 1 -11.738 -13.276 10.696 1.00 0.00 H new ATOM 0 HG2 MET A 1 -9.569 -14.607 9.034 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.656 -14.588 10.785 1.00 0.00 H new ATOM 0 HE1 MET A 1 -12.346 -16.845 11.834 1.00 0.00 H new ATOM 0 HE2 MET A 1 -11.719 -15.188 12.011 1.00 0.00 H new ATOM 0 HE3 MET A 1 -13.216 -15.480 11.092 1.00 0.00 H new ATOM 56 N ILE A 2 -13.800 -11.912 9.448 1.00 0.00 N ATOM 57 CA ILE A 2 -14.666 -10.750 9.592 1.00 0.00 C ATOM 58 C ILE A 2 -14.246 -9.899 10.788 1.00 0.00 C ATOM 59 O ILE A 2 -14.417 -8.680 10.786 1.00 0.00 O ATOM 60 CB ILE A 2 -16.142 -11.166 9.757 1.00 0.00 C ATOM 61 CG1 ILE A 2 -17.039 -9.928 9.853 1.00 0.00 C ATOM 62 CG2 ILE A 2 -16.309 -12.050 10.985 1.00 0.00 C ATOM 63 CD1 ILE A 2 -18.519 -10.249 9.879 1.00 0.00 C ATOM 0 H ILE A 2 -14.056 -12.703 10.038 1.00 0.00 H new ATOM 0 HA ILE A 2 -14.565 -10.162 8.680 1.00 0.00 H new ATOM 0 HB ILE A 2 -16.443 -11.738 8.880 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -16.781 -9.372 10.754 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -16.833 -9.274 9.006 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -17.356 -12.335 11.088 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -15.698 -12.946 10.874 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -15.993 -11.503 11.873 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -19.091 -9.324 9.948 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -18.793 -10.778 8.966 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -18.740 -10.877 10.742 1.00 0.00 H new ATOM 75 N ALA A 3 -13.695 -10.551 11.807 1.00 0.00 N ATOM 76 CA ALA A 3 -13.251 -9.857 13.009 1.00 0.00 C ATOM 77 C ALA A 3 -12.207 -10.679 13.764 1.00 0.00 C ATOM 78 O ALA A 3 -12.214 -11.908 13.699 1.00 0.00 O ATOM 79 CB ALA A 3 -14.439 -9.552 13.910 1.00 0.00 C ATOM 0 H ALA A 3 -13.546 -11.560 11.823 1.00 0.00 H new ATOM 0 HA ALA A 3 -12.787 -8.918 12.708 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -14.094 -9.033 14.804 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -15.148 -8.920 13.375 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -14.927 -10.484 14.196 1.00 0.00 H new ATOM 85 N PRO A 4 -11.296 -10.009 14.494 1.00 0.00 N ATOM 86 CA PRO A 4 -10.246 -10.689 15.260 1.00 0.00 C ATOM 87 C PRO A 4 -10.796 -11.394 16.496 1.00 0.00 C ATOM 88 O PRO A 4 -11.508 -10.793 17.300 1.00 0.00 O ATOM 89 CB PRO A 4 -9.311 -9.550 15.667 1.00 0.00 C ATOM 90 CG PRO A 4 -10.182 -8.343 15.706 1.00 0.00 C ATOM 91 CD PRO A 4 -11.214 -8.540 14.627 1.00 0.00 C ATOM 0 HA PRO A 4 -9.759 -11.472 14.679 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -8.854 -9.740 16.638 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -8.498 -9.429 14.951 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -10.654 -8.234 16.682 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -9.602 -7.437 15.530 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -12.175 -8.108 14.907 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -10.912 -8.068 13.692 1.00 0.00 H new ATOM 99 N LEU A 5 -10.460 -12.672 16.640 1.00 0.00 N ATOM 100 CA LEU A 5 -10.918 -13.461 17.778 1.00 0.00 C ATOM 101 C LEU A 5 -9.736 -14.068 18.527 1.00 0.00 C ATOM 102 O LEU A 5 -9.800 -14.285 19.737 1.00 0.00 O ATOM 103 CB LEU A 5 -11.864 -14.569 17.311 1.00 0.00 C ATOM 104 CG LEU A 5 -12.440 -15.446 18.425 1.00 0.00 C ATOM 105 CD1 LEU A 5 -13.326 -14.624 19.350 1.00 0.00 C ATOM 106 CD2 LEU A 5 -13.216 -16.614 17.837 1.00 0.00 C ATOM 0 H LEU A 5 -9.872 -13.184 15.982 1.00 0.00 H new ATOM 0 HA LEU A 5 -11.455 -12.798 18.456 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -12.690 -14.113 16.765 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -11.331 -15.207 16.607 1.00 0.00 H new ATOM 0 HG LEU A 5 -11.612 -15.845 19.011 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -13.726 -15.265 20.135 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -12.739 -13.823 19.799 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -14.149 -14.194 18.779 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -13.618 -17.227 18.644 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -14.035 -16.236 17.226 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -12.552 -17.218 17.219 1.00 0.00 H new ATOM 118 N SER A 6 -8.657 -14.338 17.798 1.00 0.00 N ATOM 119 CA SER A 6 -7.458 -14.919 18.390 1.00 0.00 C ATOM 120 C SER A 6 -6.213 -14.144 17.969 1.00 0.00 C ATOM 121 O SER A 6 -5.477 -13.629 18.812 1.00 0.00 O ATOM 122 CB SER A 6 -7.322 -16.387 17.980 1.00 0.00 C ATOM 123 OG SER A 6 -8.442 -17.142 18.405 1.00 0.00 O ATOM 0 H SER A 6 -8.589 -14.163 16.795 1.00 0.00 H new ATOM 0 HA SER A 6 -7.552 -14.859 19.474 1.00 0.00 H new ATOM 0 HB2 SER A 6 -7.222 -16.457 16.897 1.00 0.00 H new ATOM 0 HB3 SER A 6 -6.413 -16.805 18.412 1.00 0.00 H new ATOM 0 HG SER A 6 -8.331 -18.076 18.129 1.00 0.00 H new ATOM 129 N VAL A 7 -5.986 -14.064 16.661 1.00 0.00 N ATOM 130 CA VAL A 7 -4.832 -13.350 16.128 1.00 0.00 C ATOM 131 C VAL A 7 -4.996 -13.079 14.635 1.00 0.00 C ATOM 132 O VAL A 7 -5.329 -13.976 13.862 1.00 0.00 O ATOM 133 CB VAL A 7 -3.526 -14.139 16.362 1.00 0.00 C ATOM 134 CG1 VAL A 7 -3.637 -15.544 15.792 1.00 0.00 C ATOM 135 CG2 VAL A 7 -2.338 -13.402 15.763 1.00 0.00 C ATOM 0 H VAL A 7 -6.586 -14.485 15.952 1.00 0.00 H new ATOM 0 HA VAL A 7 -4.771 -12.400 16.660 1.00 0.00 H new ATOM 0 HB VAL A 7 -3.365 -14.223 17.437 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -2.706 -16.083 15.968 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -4.458 -16.070 16.279 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -3.827 -15.488 14.720 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -1.428 -13.975 15.939 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -2.488 -13.280 14.690 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -2.245 -12.421 16.230 1.00 0.00 H new ATOM 145 N LYS A 8 -4.763 -11.830 14.239 1.00 0.00 N ATOM 146 CA LYS A 8 -4.882 -11.434 12.845 1.00 0.00 C ATOM 147 C LYS A 8 -3.517 -11.419 12.172 1.00 0.00 C ATOM 148 O LYS A 8 -3.411 -11.491 10.949 1.00 0.00 O ATOM 149 CB LYS A 8 -5.539 -10.057 12.744 1.00 0.00 C ATOM 150 CG LYS A 8 -4.948 -9.019 13.687 1.00 0.00 C ATOM 151 CD LYS A 8 -5.612 -9.059 15.054 1.00 0.00 C ATOM 152 CE LYS A 8 -5.006 -8.032 15.998 1.00 0.00 C ATOM 153 NZ LYS A 8 -5.645 -8.068 17.342 1.00 0.00 N ATOM 0 H LYS A 8 -4.490 -11.075 14.869 1.00 0.00 H new ATOM 0 HA LYS A 8 -5.509 -12.162 12.331 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -5.447 -9.696 11.720 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -6.604 -10.158 12.952 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -3.878 -9.195 13.797 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -5.065 -8.025 13.254 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -6.680 -8.870 14.947 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -5.506 -10.056 15.482 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -3.937 -8.218 16.099 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -5.117 -7.036 15.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -5.204 -7.353 17.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -6.661 -7.865 17.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -5.517 -9.011 17.762 1.00 0.00 H new ATOM 167 N ASP A 9 -2.483 -11.339 12.995 1.00 0.00 N ATOM 168 CA ASP A 9 -1.099 -11.316 12.524 1.00 0.00 C ATOM 169 C ASP A 9 -0.891 -10.269 11.435 1.00 0.00 C ATOM 170 O ASP A 9 -1.272 -10.466 10.282 1.00 0.00 O ATOM 171 CB ASP A 9 -0.693 -12.693 12.011 1.00 0.00 C ATOM 172 CG ASP A 9 0.616 -12.668 11.245 1.00 0.00 C ATOM 173 OD1 ASP A 9 1.681 -12.794 11.885 1.00 0.00 O ATOM 174 OD2 ASP A 9 0.575 -12.521 10.005 1.00 0.00 O ATOM 0 H ASP A 9 -2.575 -11.288 14.010 1.00 0.00 H new ATOM 0 HA ASP A 9 -0.467 -11.046 13.370 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -0.603 -13.379 12.854 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -1.480 -13.083 11.365 1.00 0.00 H new ATOM 179 N ASN A 10 -0.271 -9.159 11.813 1.00 0.00 N ATOM 180 CA ASN A 10 -0.011 -8.075 10.883 1.00 0.00 C ATOM 181 C ASN A 10 1.429 -7.587 10.969 1.00 0.00 C ATOM 182 O ASN A 10 2.271 -7.952 10.148 1.00 0.00 O ATOM 183 CB ASN A 10 -0.967 -6.922 11.163 1.00 0.00 C ATOM 184 CG ASN A 10 -1.501 -6.936 12.581 1.00 0.00 C ATOM 185 OD1 ASN A 10 -0.872 -6.166 13.460 1.00 0.00 O flip ATOM 186 ND2 ASN A 10 -2.476 -7.623 12.881 1.00 0.00 N flip ATOM 0 H ASN A 10 0.061 -8.988 12.762 1.00 0.00 H new ATOM 0 HA ASN A 10 -0.170 -8.454 9.873 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -0.454 -5.978 10.982 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -1.802 -6.970 10.464 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -2.930 -8.201 12.174 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -2.831 -7.615 13.837 1.00 0.00 H new ATOM 193 N ASP A 11 1.691 -6.756 11.966 1.00 0.00 N ATOM 194 CA ASP A 11 3.012 -6.186 12.181 1.00 0.00 C ATOM 195 C ASP A 11 4.099 -7.252 12.126 1.00 0.00 C ATOM 196 O ASP A 11 4.358 -7.947 13.108 1.00 0.00 O ATOM 197 CB ASP A 11 3.062 -5.471 13.528 1.00 0.00 C ATOM 198 CG ASP A 11 1.838 -4.615 13.782 1.00 0.00 C ATOM 199 OD1 ASP A 11 1.619 -3.649 13.022 1.00 0.00 O ATOM 200 OD2 ASP A 11 1.097 -4.910 14.744 1.00 0.00 O ATOM 0 H ASP A 11 0.994 -6.458 12.649 1.00 0.00 H new ATOM 0 HA ASP A 11 3.198 -5.471 11.379 1.00 0.00 H new ATOM 0 HB2 ASP A 11 3.155 -6.210 14.324 1.00 0.00 H new ATOM 0 HB3 ASP A 11 3.953 -4.845 13.569 1.00 0.00 H new ATOM 205 N LYS A 12 4.721 -7.379 10.962 1.00 0.00 N ATOM 206 CA LYS A 12 5.795 -8.346 10.768 1.00 0.00 C ATOM 207 C LYS A 12 7.156 -7.656 10.833 1.00 0.00 C ATOM 208 O LYS A 12 7.869 -7.542 9.835 1.00 0.00 O ATOM 209 CB LYS A 12 5.619 -9.075 9.437 1.00 0.00 C ATOM 210 CG LYS A 12 5.488 -8.151 8.240 1.00 0.00 C ATOM 211 CD LYS A 12 5.490 -8.932 6.936 1.00 0.00 C ATOM 212 CE LYS A 12 6.853 -9.549 6.659 1.00 0.00 C ATOM 213 NZ LYS A 12 6.882 -10.275 5.359 1.00 0.00 N ATOM 0 H LYS A 12 4.500 -6.824 10.135 1.00 0.00 H new ATOM 0 HA LYS A 12 5.750 -9.082 11.571 1.00 0.00 H new ATOM 0 HB2 LYS A 12 6.471 -9.736 9.281 1.00 0.00 H new ATOM 0 HB3 LYS A 12 4.732 -9.706 9.495 1.00 0.00 H new ATOM 0 HG2 LYS A 12 4.565 -7.577 8.321 1.00 0.00 H new ATOM 0 HG3 LYS A 12 6.310 -7.435 8.239 1.00 0.00 H new ATOM 0 HD2 LYS A 12 4.736 -9.718 6.980 1.00 0.00 H new ATOM 0 HD3 LYS A 12 5.215 -8.271 6.114 1.00 0.00 H new ATOM 0 HE2 LYS A 12 7.611 -8.766 6.654 1.00 0.00 H new ATOM 0 HE3 LYS A 12 7.110 -10.237 7.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 7.828 -10.680 5.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 6.176 -11.039 5.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 6.662 -9.614 4.587 1.00 0.00 H new ATOM 227 N TRP A 13 7.495 -7.195 12.031 1.00 0.00 N ATOM 228 CA TRP A 13 8.748 -6.506 12.294 1.00 0.00 C ATOM 229 C TRP A 13 9.935 -7.293 11.744 1.00 0.00 C ATOM 230 O TRP A 13 10.338 -8.299 12.328 1.00 0.00 O ATOM 231 CB TRP A 13 8.884 -6.294 13.806 1.00 0.00 C ATOM 232 CG TRP A 13 7.566 -5.997 14.474 1.00 0.00 C ATOM 233 CD1 TRP A 13 6.622 -6.906 14.861 1.00 0.00 C ATOM 234 CD2 TRP A 13 7.043 -4.708 14.826 1.00 0.00 C ATOM 235 NE1 TRP A 13 5.537 -6.264 15.403 1.00 0.00 N ATOM 236 CE2 TRP A 13 5.771 -4.915 15.398 1.00 0.00 C ATOM 237 CE3 TRP A 13 7.520 -3.401 14.708 1.00 0.00 C ATOM 238 CZ2 TRP A 13 4.971 -3.864 15.846 1.00 0.00 C ATOM 239 CZ3 TRP A 13 6.729 -2.359 15.158 1.00 0.00 C ATOM 240 CH2 TRP A 13 5.466 -2.596 15.718 1.00 0.00 C ATOM 0 H TRP A 13 6.900 -7.291 12.854 1.00 0.00 H new ATOM 0 HA TRP A 13 8.743 -5.540 11.789 1.00 0.00 H new ATOM 0 HB2 TRP A 13 9.321 -7.185 14.256 1.00 0.00 H new ATOM 0 HB3 TRP A 13 9.574 -5.471 13.992 1.00 0.00 H new ATOM 0 HD1 TRP A 13 6.716 -7.977 14.755 1.00 0.00 H new ATOM 0 HE1 TRP A 13 4.693 -6.718 15.753 1.00 0.00 H new ATOM 0 HE3 TRP A 13 8.489 -3.207 14.273 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 3.998 -4.045 16.278 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 7.091 -1.345 15.076 1.00 0.00 H new ATOM 0 HH2 TRP A 13 4.872 -1.760 16.055 1.00 0.00 H new ATOM 251 N VAL A 14 10.502 -6.834 10.618 1.00 0.00 N ATOM 252 CA VAL A 14 11.634 -7.542 10.011 1.00 0.00 C ATOM 253 C VAL A 14 12.612 -6.596 9.328 1.00 0.00 C ATOM 254 O VAL A 14 12.458 -5.378 9.378 1.00 0.00 O ATOM 255 CB VAL A 14 11.164 -8.589 8.980 1.00 0.00 C ATOM 256 CG1 VAL A 14 10.308 -9.657 9.642 1.00 0.00 C ATOM 257 CG2 VAL A 14 10.410 -7.918 7.843 1.00 0.00 C ATOM 0 H VAL A 14 10.203 -5.995 10.120 1.00 0.00 H new ATOM 0 HA VAL A 14 12.143 -8.041 10.836 1.00 0.00 H new ATOM 0 HB VAL A 14 12.045 -9.077 8.564 1.00 0.00 H new ATOM 0 HG11 VAL A 14 9.989 -10.383 8.894 1.00 0.00 H new ATOM 0 HG12 VAL A 14 10.889 -10.162 10.414 1.00 0.00 H new ATOM 0 HG13 VAL A 14 9.431 -9.192 10.093 1.00 0.00 H new ATOM 0 HG21 VAL A 14 10.086 -8.672 7.126 1.00 0.00 H new ATOM 0 HG22 VAL A 14 9.538 -7.398 8.241 1.00 0.00 H new ATOM 0 HG23 VAL A 14 11.064 -7.201 7.346 1.00 0.00 H new ATOM 267 N ASP A 15 13.621 -7.187 8.690 1.00 0.00 N ATOM 268 CA ASP A 15 14.648 -6.433 7.980 1.00 0.00 C ATOM 269 C ASP A 15 14.408 -6.492 6.474 1.00 0.00 C ATOM 270 O ASP A 15 13.370 -6.983 6.030 1.00 0.00 O ATOM 271 CB ASP A 15 16.027 -6.998 8.319 1.00 0.00 C ATOM 272 CG ASP A 15 16.281 -8.342 7.666 1.00 0.00 C ATOM 273 OD1 ASP A 15 15.950 -9.376 8.285 1.00 0.00 O ATOM 274 OD2 ASP A 15 16.810 -8.362 6.534 1.00 0.00 O ATOM 0 H ASP A 15 13.748 -8.198 8.652 1.00 0.00 H new ATOM 0 HA ASP A 15 14.602 -5.390 8.294 1.00 0.00 H new ATOM 0 HB2 ASP A 15 16.794 -6.292 8.000 1.00 0.00 H new ATOM 0 HB3 ASP A 15 16.118 -7.100 9.400 1.00 0.00 H new ATOM 279 N THR A 16 15.365 -5.998 5.686 1.00 0.00 N ATOM 280 CA THR A 16 15.218 -6.007 4.233 1.00 0.00 C ATOM 281 C THR A 16 16.478 -5.523 3.518 1.00 0.00 C ATOM 282 O THR A 16 17.508 -5.266 4.141 1.00 0.00 O ATOM 283 CB THR A 16 14.033 -5.123 3.796 1.00 0.00 C ATOM 284 OG1 THR A 16 13.558 -5.538 2.510 1.00 0.00 O ATOM 285 CG2 THR A 16 14.434 -3.657 3.738 1.00 0.00 C ATOM 0 H THR A 16 16.237 -5.593 6.025 1.00 0.00 H new ATOM 0 HA THR A 16 15.036 -7.044 3.951 1.00 0.00 H new ATOM 0 HB THR A 16 13.240 -5.237 4.535 1.00 0.00 H new ATOM 0 HG1 THR A 16 12.804 -4.972 2.241 1.00 0.00 H new ATOM 0 HG21 THR A 16 13.578 -3.058 3.427 1.00 0.00 H new ATOM 0 HG22 THR A 16 14.766 -3.331 4.724 1.00 0.00 H new ATOM 0 HG23 THR A 16 15.246 -3.530 3.022 1.00 0.00 H new ATOM 293 N HIS A 17 16.370 -5.404 2.196 1.00 0.00 N ATOM 294 CA HIS A 17 17.467 -4.937 1.356 1.00 0.00 C ATOM 295 C HIS A 17 17.101 -3.591 0.735 1.00 0.00 C ATOM 296 O HIS A 17 16.262 -2.872 1.270 1.00 0.00 O ATOM 297 CB HIS A 17 17.765 -5.970 0.268 1.00 0.00 C ATOM 298 CG HIS A 17 18.605 -7.114 0.741 1.00 0.00 C ATOM 299 ND1 HIS A 17 18.084 -8.352 1.056 1.00 0.00 N ATOM 300 CD2 HIS A 17 19.940 -7.206 0.952 1.00 0.00 C ATOM 301 CE1 HIS A 17 19.061 -9.154 1.440 1.00 0.00 C ATOM 302 NE2 HIS A 17 20.197 -8.483 1.385 1.00 0.00 N ATOM 0 H HIS A 17 15.520 -5.629 1.679 1.00 0.00 H new ATOM 0 HA HIS A 17 18.362 -4.809 1.965 1.00 0.00 H new ATOM 0 HB2 HIS A 17 16.823 -6.358 -0.120 1.00 0.00 H new ATOM 0 HB3 HIS A 17 18.272 -5.476 -0.561 1.00 0.00 H new ATOM 0 HD2 HIS A 17 20.667 -6.421 0.807 1.00 0.00 H new ATOM 0 HE1 HIS A 17 18.950 -10.183 1.747 1.00 0.00 H new ATOM 0 HE2 HIS A 17 21.116 -8.854 1.625 1.00 0.00 H new ATOM 311 N VAL A 18 17.723 -3.243 -0.388 1.00 0.00 N ATOM 312 CA VAL A 18 17.427 -1.974 -1.047 1.00 0.00 C ATOM 313 C VAL A 18 16.581 -2.176 -2.298 1.00 0.00 C ATOM 314 O VAL A 18 16.940 -2.944 -3.191 1.00 0.00 O ATOM 315 CB VAL A 18 18.711 -1.210 -1.426 1.00 0.00 C ATOM 316 CG1 VAL A 18 18.366 0.153 -2.013 1.00 0.00 C ATOM 317 CG2 VAL A 18 19.623 -1.065 -0.218 1.00 0.00 C ATOM 0 H VAL A 18 18.427 -3.814 -0.856 1.00 0.00 H new ATOM 0 HA VAL A 18 16.864 -1.381 -0.326 1.00 0.00 H new ATOM 0 HB VAL A 18 19.244 -1.783 -2.185 1.00 0.00 H new ATOM 0 HG11 VAL A 18 19.284 0.679 -2.275 1.00 0.00 H new ATOM 0 HG12 VAL A 18 17.756 0.020 -2.906 1.00 0.00 H new ATOM 0 HG13 VAL A 18 17.811 0.736 -1.278 1.00 0.00 H new ATOM 0 HG21 VAL A 18 20.524 -0.523 -0.505 1.00 0.00 H new ATOM 0 HG22 VAL A 18 19.103 -0.515 0.566 1.00 0.00 H new ATOM 0 HG23 VAL A 18 19.896 -2.053 0.152 1.00 0.00 H new ATOM 327 N GLY A 19 15.452 -1.476 -2.348 1.00 0.00 N ATOM 328 CA GLY A 19 14.555 -1.570 -3.485 1.00 0.00 C ATOM 329 C GLY A 19 13.978 -2.957 -3.672 1.00 0.00 C ATOM 330 O GLY A 19 13.407 -3.252 -4.722 1.00 0.00 O ATOM 0 H GLY A 19 15.141 -0.840 -1.614 1.00 0.00 H new ATOM 0 HA2 GLY A 19 13.740 -0.858 -3.357 1.00 0.00 H new ATOM 0 HA3 GLY A 19 15.092 -1.281 -4.389 1.00 0.00 H new ATOM 334 N LYS A 20 14.136 -3.816 -2.670 1.00 0.00 N ATOM 335 CA LYS A 20 13.602 -5.166 -2.745 1.00 0.00 C ATOM 336 C LYS A 20 12.082 -5.108 -2.830 1.00 0.00 C ATOM 337 O LYS A 20 11.385 -5.218 -1.820 1.00 0.00 O ATOM 338 CB LYS A 20 14.038 -5.987 -1.531 1.00 0.00 C ATOM 339 CG LYS A 20 14.466 -7.398 -1.876 1.00 0.00 C ATOM 340 CD LYS A 20 15.891 -7.408 -2.383 1.00 0.00 C ATOM 341 CE LYS A 20 16.495 -8.802 -2.340 1.00 0.00 C ATOM 342 NZ LYS A 20 15.729 -9.766 -3.179 1.00 0.00 N ATOM 0 H LYS A 20 14.627 -3.601 -1.802 1.00 0.00 H new ATOM 0 HA LYS A 20 13.993 -5.652 -3.639 1.00 0.00 H new ATOM 0 HB2 LYS A 20 14.864 -5.477 -1.035 1.00 0.00 H new ATOM 0 HB3 LYS A 20 13.215 -6.030 -0.817 1.00 0.00 H new ATOM 0 HG2 LYS A 20 14.382 -8.036 -0.996 1.00 0.00 H new ATOM 0 HG3 LYS A 20 13.801 -7.812 -2.634 1.00 0.00 H new ATOM 0 HD2 LYS A 20 15.916 -7.033 -3.406 1.00 0.00 H new ATOM 0 HD3 LYS A 20 16.496 -6.731 -1.780 1.00 0.00 H new ATOM 0 HE2 LYS A 20 17.528 -8.761 -2.686 1.00 0.00 H new ATOM 0 HE3 LYS A 20 16.518 -9.156 -1.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 16.237 -10.672 -3.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 14.787 -9.915 -2.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 15.627 -9.384 -4.141 1.00 0.00 H new ATOM 356 N THR A 21 11.583 -4.916 -4.045 1.00 0.00 N ATOM 357 CA THR A 21 10.151 -4.810 -4.289 1.00 0.00 C ATOM 358 C THR A 21 9.375 -5.925 -3.600 1.00 0.00 C ATOM 359 O THR A 21 9.356 -7.065 -4.065 1.00 0.00 O ATOM 360 CB THR A 21 9.837 -4.839 -5.794 1.00 0.00 C ATOM 361 OG1 THR A 21 10.764 -4.010 -6.505 1.00 0.00 O ATOM 362 CG2 THR A 21 8.419 -4.355 -6.053 1.00 0.00 C ATOM 0 H THR A 21 12.156 -4.830 -4.884 1.00 0.00 H new ATOM 0 HA THR A 21 9.838 -3.853 -3.872 1.00 0.00 H new ATOM 0 HB THR A 21 9.928 -5.867 -6.144 1.00 0.00 H new ATOM 0 HG1 THR A 21 10.558 -4.036 -7.463 1.00 0.00 H new ATOM 0 HG21 THR A 21 8.215 -4.383 -7.123 1.00 0.00 H new ATOM 0 HG22 THR A 21 7.713 -5.002 -5.532 1.00 0.00 H new ATOM 0 HG23 THR A 21 8.311 -3.333 -5.689 1.00 0.00 H new ATOM 370 N THR A 22 8.736 -5.585 -2.485 1.00 0.00 N ATOM 371 CA THR A 22 7.943 -6.547 -1.735 1.00 0.00 C ATOM 372 C THR A 22 6.471 -6.421 -2.095 1.00 0.00 C ATOM 373 O THR A 22 5.779 -5.516 -1.626 1.00 0.00 O ATOM 374 CB THR A 22 8.127 -6.363 -0.213 1.00 0.00 C ATOM 375 OG1 THR A 22 9.468 -6.701 0.161 1.00 0.00 O ATOM 376 CG2 THR A 22 7.145 -7.222 0.573 1.00 0.00 C ATOM 0 H THR A 22 8.753 -4.648 -2.082 1.00 0.00 H new ATOM 0 HA THR A 22 8.294 -7.543 -2.004 1.00 0.00 H new ATOM 0 HB THR A 22 7.931 -5.317 0.024 1.00 0.00 H new ATOM 0 HG1 THR A 22 10.098 -6.254 -0.442 1.00 0.00 H new ATOM 0 HG21 THR A 22 7.301 -7.069 1.641 1.00 0.00 H new ATOM 0 HG22 THR A 22 6.125 -6.940 0.312 1.00 0.00 H new ATOM 0 HG23 THR A 22 7.305 -8.272 0.330 1.00 0.00 H new ATOM 384 N GLU A 23 6.010 -7.330 -2.949 1.00 0.00 N ATOM 385 CA GLU A 23 4.632 -7.350 -3.397 1.00 0.00 C ATOM 386 C GLU A 23 3.739 -8.068 -2.401 1.00 0.00 C ATOM 387 O GLU A 23 4.051 -9.171 -1.952 1.00 0.00 O ATOM 388 CB GLU A 23 4.549 -8.047 -4.748 1.00 0.00 C ATOM 389 CG GLU A 23 3.198 -7.900 -5.421 1.00 0.00 C ATOM 390 CD GLU A 23 3.167 -8.503 -6.811 1.00 0.00 C ATOM 391 OE1 GLU A 23 2.840 -9.701 -6.932 1.00 0.00 O ATOM 392 OE2 GLU A 23 3.469 -7.774 -7.780 1.00 0.00 O ATOM 0 H GLU A 23 6.586 -8.072 -3.347 1.00 0.00 H new ATOM 0 HA GLU A 23 4.286 -6.320 -3.484 1.00 0.00 H new ATOM 0 HB2 GLU A 23 5.319 -7.643 -5.405 1.00 0.00 H new ATOM 0 HB3 GLU A 23 4.767 -9.107 -4.616 1.00 0.00 H new ATOM 0 HG2 GLU A 23 2.436 -8.378 -4.805 1.00 0.00 H new ATOM 0 HG3 GLU A 23 2.941 -6.843 -5.483 1.00 0.00 H new ATOM 399 N ILE A 24 2.626 -7.436 -2.058 1.00 0.00 N ATOM 400 CA ILE A 24 1.684 -8.021 -1.124 1.00 0.00 C ATOM 401 C ILE A 24 0.249 -7.855 -1.601 1.00 0.00 C ATOM 402 O ILE A 24 -0.347 -6.790 -1.448 1.00 0.00 O ATOM 403 CB ILE A 24 1.818 -7.396 0.268 1.00 0.00 C ATOM 404 CG1 ILE A 24 3.259 -7.530 0.764 1.00 0.00 C ATOM 405 CG2 ILE A 24 0.842 -8.053 1.235 1.00 0.00 C ATOM 406 CD1 ILE A 24 3.473 -7.033 2.176 1.00 0.00 C ATOM 0 H ILE A 24 2.356 -6.519 -2.414 1.00 0.00 H new ATOM 0 HA ILE A 24 1.922 -9.083 -1.067 1.00 0.00 H new ATOM 0 HB ILE A 24 1.574 -6.335 0.210 1.00 0.00 H new ATOM 0 HG12 ILE A 24 3.555 -8.578 0.710 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.916 -6.978 0.092 1.00 0.00 H new ATOM 0 HG21 ILE A 24 0.947 -7.600 2.221 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -0.177 -7.910 0.876 1.00 0.00 H new ATOM 0 HG23 ILE A 24 1.057 -9.120 1.301 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.519 -7.163 2.453 1.00 0.00 H new ATOM 0 HD12 ILE A 24 3.211 -5.977 2.234 1.00 0.00 H new ATOM 0 HD13 ILE A 24 2.844 -7.601 2.861 1.00 0.00 H new ATOM 418 N HIS A 25 -0.293 -8.914 -2.183 1.00 0.00 N ATOM 419 CA HIS A 25 -1.666 -8.907 -2.668 1.00 0.00 C ATOM 420 C HIS A 25 -2.621 -9.231 -1.529 1.00 0.00 C ATOM 421 O HIS A 25 -3.049 -10.375 -1.369 1.00 0.00 O ATOM 422 CB HIS A 25 -1.839 -9.925 -3.793 1.00 0.00 C ATOM 423 CG HIS A 25 -1.265 -9.487 -5.102 1.00 0.00 C ATOM 424 ND1 HIS A 25 -1.928 -9.634 -6.303 1.00 0.00 N ATOM 425 CD2 HIS A 25 -0.078 -8.910 -5.398 1.00 0.00 C ATOM 426 CE1 HIS A 25 -1.171 -9.168 -7.280 1.00 0.00 C ATOM 427 NE2 HIS A 25 -0.044 -8.722 -6.758 1.00 0.00 N ATOM 0 H HIS A 25 0.200 -9.794 -2.332 1.00 0.00 H new ATOM 0 HA HIS A 25 -1.893 -7.914 -3.056 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -1.368 -10.862 -3.497 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -2.902 -10.130 -3.924 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -2.857 -10.039 -6.418 1.00 0.00 H new ATOM 0 HD2 HIS A 25 0.699 -8.646 -4.695 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -1.430 -9.154 -8.328 1.00 0.00 H new ATOM 436 N LEU A 26 -2.945 -8.221 -0.732 1.00 0.00 N ATOM 437 CA LEU A 26 -3.841 -8.407 0.403 1.00 0.00 C ATOM 438 C LEU A 26 -5.280 -8.614 -0.056 1.00 0.00 C ATOM 439 O LEU A 26 -5.649 -8.238 -1.167 1.00 0.00 O ATOM 440 CB LEU A 26 -3.771 -7.199 1.333 1.00 0.00 C ATOM 441 CG LEU A 26 -2.401 -6.934 1.961 1.00 0.00 C ATOM 442 CD1 LEU A 26 -2.385 -5.578 2.648 1.00 0.00 C ATOM 443 CD2 LEU A 26 -2.044 -8.035 2.947 1.00 0.00 C ATOM 0 H LEU A 26 -2.602 -7.267 -0.849 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.518 -9.300 0.939 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.073 -6.313 0.774 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.499 -7.335 2.133 1.00 0.00 H new ATOM 0 HG LEU A 26 -1.654 -6.928 1.168 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.403 -5.405 3.089 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.597 -4.797 1.917 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.143 -5.558 3.431 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.067 -7.830 3.384 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.794 -8.073 3.737 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.015 -8.993 2.428 1.00 0.00 H new ATOM 455 N LYS A 27 -6.085 -9.218 0.812 1.00 0.00 N ATOM 456 CA LYS A 27 -7.487 -9.467 0.511 1.00 0.00 C ATOM 457 C LYS A 27 -8.375 -8.688 1.472 1.00 0.00 C ATOM 458 O LYS A 27 -7.911 -8.208 2.508 1.00 0.00 O ATOM 459 CB LYS A 27 -7.807 -10.959 0.602 1.00 0.00 C ATOM 460 CG LYS A 27 -6.790 -11.845 -0.098 1.00 0.00 C ATOM 461 CD LYS A 27 -7.178 -13.314 -0.024 1.00 0.00 C ATOM 462 CE LYS A 27 -8.449 -13.597 -0.810 1.00 0.00 C ATOM 463 NZ LYS A 27 -8.829 -15.036 -0.753 1.00 0.00 N ATOM 0 H LYS A 27 -5.788 -9.544 1.732 1.00 0.00 H new ATOM 0 HA LYS A 27 -7.681 -9.134 -0.508 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -7.864 -11.246 1.652 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -8.791 -11.138 0.169 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -6.702 -11.544 -1.142 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -5.810 -11.704 0.358 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -6.365 -13.926 -0.414 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -7.322 -13.601 1.018 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -9.263 -12.991 -0.414 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -8.307 -13.300 -1.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -9.700 -15.187 -1.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -8.063 -15.614 -1.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -8.990 -15.314 0.236 1.00 0.00 H new ATOM 477 N GLY A 28 -9.650 -8.567 1.131 1.00 0.00 N ATOM 478 CA GLY A 28 -10.572 -7.831 1.975 1.00 0.00 C ATOM 479 C GLY A 28 -11.933 -7.647 1.334 1.00 0.00 C ATOM 480 O GLY A 28 -12.376 -8.486 0.548 1.00 0.00 O ATOM 0 H GLY A 28 -10.063 -8.964 0.287 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -10.689 -8.357 2.923 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -10.148 -6.853 2.203 1.00 0.00 H new ATOM 484 N ASN A 29 -12.596 -6.543 1.669 1.00 0.00 N ATOM 485 CA ASN A 29 -13.916 -6.245 1.125 1.00 0.00 C ATOM 486 C ASN A 29 -14.352 -4.828 1.500 1.00 0.00 C ATOM 487 O ASN A 29 -15.055 -4.631 2.492 1.00 0.00 O ATOM 488 CB ASN A 29 -14.939 -7.263 1.636 1.00 0.00 C ATOM 489 CG ASN A 29 -16.328 -7.024 1.078 1.00 0.00 C ATOM 490 OD1 ASN A 29 -17.137 -6.266 1.809 1.00 0.00 O flip ATOM 491 ND2 ASN A 29 -16.672 -7.518 0.004 1.00 0.00 N flip ATOM 0 H ASN A 29 -12.239 -5.840 2.316 1.00 0.00 H new ATOM 0 HA ASN A 29 -13.861 -6.310 0.038 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -14.612 -8.267 1.368 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -14.976 -7.220 2.725 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -16.018 -8.094 -0.525 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -17.611 -7.351 -0.357 1.00 0.00 H new ATOM 498 N PRO A 30 -13.927 -3.818 0.716 1.00 0.00 N ATOM 499 CA PRO A 30 -14.279 -2.415 0.973 1.00 0.00 C ATOM 500 C PRO A 30 -15.779 -2.163 0.901 1.00 0.00 C ATOM 501 O PRO A 30 -16.253 -1.088 1.270 1.00 0.00 O ATOM 502 CB PRO A 30 -13.556 -1.647 -0.140 1.00 0.00 C ATOM 503 CG PRO A 30 -13.292 -2.662 -1.197 1.00 0.00 C ATOM 504 CD PRO A 30 -13.066 -3.954 -0.470 1.00 0.00 C ATOM 0 HA PRO A 30 -13.989 -2.109 1.978 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -14.171 -0.831 -0.520 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -12.628 -1.205 0.223 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -14.135 -2.741 -1.883 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -12.420 -2.390 -1.792 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -13.348 -4.814 -1.077 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -12.019 -4.086 -0.196 1.00 0.00 H new ATOM 512 N THR A 31 -16.526 -3.154 0.418 1.00 0.00 N ATOM 513 CA THR A 31 -17.970 -3.035 0.306 1.00 0.00 C ATOM 514 C THR A 31 -18.586 -2.619 1.637 1.00 0.00 C ATOM 515 O THR A 31 -19.688 -2.071 1.679 1.00 0.00 O ATOM 516 CB THR A 31 -18.602 -4.360 -0.152 1.00 0.00 C ATOM 517 OG1 THR A 31 -17.696 -5.063 -1.012 1.00 0.00 O ATOM 518 CG2 THR A 31 -19.902 -4.105 -0.890 1.00 0.00 C ATOM 0 H THR A 31 -16.151 -4.047 0.099 1.00 0.00 H new ATOM 0 HA THR A 31 -18.174 -2.268 -0.441 1.00 0.00 H new ATOM 0 HB THR A 31 -18.810 -4.964 0.731 1.00 0.00 H new ATOM 0 HG1 THR A 31 -18.159 -5.822 -1.424 1.00 0.00 H new ATOM 0 HG21 THR A 31 -20.333 -5.055 -1.206 1.00 0.00 H new ATOM 0 HG22 THR A 31 -20.600 -3.591 -0.230 1.00 0.00 H new ATOM 0 HG23 THR A 31 -19.708 -3.486 -1.766 1.00 0.00 H new ATOM 526 N THR A 32 -17.864 -2.886 2.722 1.00 0.00 N ATOM 527 CA THR A 32 -18.330 -2.534 4.057 1.00 0.00 C ATOM 528 C THR A 32 -18.139 -1.045 4.321 1.00 0.00 C ATOM 529 O THR A 32 -19.035 -0.377 4.838 1.00 0.00 O ATOM 530 CB THR A 32 -17.590 -3.336 5.144 1.00 0.00 C ATOM 531 OG1 THR A 32 -16.175 -3.169 5.000 1.00 0.00 O ATOM 532 CG2 THR A 32 -17.943 -4.814 5.061 1.00 0.00 C ATOM 0 H THR A 32 -16.954 -3.345 2.701 1.00 0.00 H new ATOM 0 HA THR A 32 -19.391 -2.780 4.100 1.00 0.00 H new ATOM 0 HB THR A 32 -17.902 -2.958 6.118 1.00 0.00 H new ATOM 0 HG1 THR A 32 -15.849 -3.747 4.279 1.00 0.00 H new ATOM 0 HG21 THR A 32 -17.408 -5.360 5.838 1.00 0.00 H new ATOM 0 HG22 THR A 32 -19.016 -4.940 5.202 1.00 0.00 H new ATOM 0 HG23 THR A 32 -17.657 -5.202 4.083 1.00 0.00 H new ATOM 540 N GLY A 33 -16.965 -0.530 3.963 1.00 0.00 N ATOM 541 CA GLY A 33 -16.682 0.878 4.163 1.00 0.00 C ATOM 542 C GLY A 33 -15.253 1.142 4.605 1.00 0.00 C ATOM 543 O GLY A 33 -14.983 2.140 5.273 1.00 0.00 O ATOM 0 H GLY A 33 -16.206 -1.064 3.538 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -16.874 1.416 3.235 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -17.367 1.277 4.911 1.00 0.00 H new ATOM 547 N TYR A 34 -14.336 0.251 4.235 1.00 0.00 N ATOM 548 CA TYR A 34 -12.932 0.410 4.603 1.00 0.00 C ATOM 549 C TYR A 34 -12.004 0.011 3.457 1.00 0.00 C ATOM 550 O TYR A 34 -12.283 -0.928 2.713 1.00 0.00 O ATOM 551 CB TYR A 34 -12.598 -0.428 5.838 1.00 0.00 C ATOM 552 CG TYR A 34 -13.225 0.068 7.124 1.00 0.00 C ATOM 553 CD1 TYR A 34 -14.535 -0.260 7.452 1.00 0.00 C ATOM 554 CD2 TYR A 34 -12.502 0.855 8.017 1.00 0.00 C ATOM 555 CE1 TYR A 34 -15.106 0.180 8.632 1.00 0.00 C ATOM 556 CE2 TYR A 34 -13.069 1.298 9.197 1.00 0.00 C ATOM 557 CZ TYR A 34 -14.371 0.957 9.499 1.00 0.00 C ATOM 558 OH TYR A 34 -14.938 1.396 10.674 1.00 0.00 O ATOM 0 H TYR A 34 -14.538 -0.583 3.684 1.00 0.00 H new ATOM 0 HA TYR A 34 -12.776 1.465 4.827 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -12.922 -1.454 5.663 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -11.515 -0.452 5.963 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -15.116 -0.868 6.775 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -11.482 1.123 7.784 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -16.125 -0.085 8.873 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -12.496 1.908 9.879 1.00 0.00 H new ATOM 0 HH TYR A 34 -14.286 1.931 11.172 1.00 0.00 H new ATOM 568 N MET A 35 -10.896 0.735 3.328 1.00 0.00 N ATOM 569 CA MET A 35 -9.910 0.476 2.302 1.00 0.00 C ATOM 570 C MET A 35 -8.605 0.000 2.927 1.00 0.00 C ATOM 571 O MET A 35 -8.308 0.303 4.084 1.00 0.00 O ATOM 572 CB MET A 35 -9.659 1.755 1.502 1.00 0.00 C ATOM 573 CG MET A 35 -8.276 1.826 0.878 1.00 0.00 C ATOM 574 SD MET A 35 -7.865 3.473 0.269 1.00 0.00 S ATOM 575 CE MET A 35 -8.069 4.449 1.757 1.00 0.00 C ATOM 0 H MET A 35 -10.663 1.519 3.938 1.00 0.00 H new ATOM 0 HA MET A 35 -10.286 -0.304 1.640 1.00 0.00 H new ATOM 0 HB2 MET A 35 -10.408 1.832 0.713 1.00 0.00 H new ATOM 0 HB3 MET A 35 -9.796 2.615 2.157 1.00 0.00 H new ATOM 0 HG2 MET A 35 -7.534 1.521 1.616 1.00 0.00 H new ATOM 0 HG3 MET A 35 -8.217 1.114 0.054 1.00 0.00 H new ATOM 0 HE1 MET A 35 -8.978 5.046 1.679 1.00 0.00 H new ATOM 0 HE2 MET A 35 -8.143 3.786 2.619 1.00 0.00 H new ATOM 0 HE3 MET A 35 -7.211 5.109 1.879 1.00 0.00 H new ATOM 585 N TRP A 36 -7.831 -0.741 2.150 1.00 0.00 N ATOM 586 CA TRP A 36 -6.544 -1.242 2.604 1.00 0.00 C ATOM 587 C TRP A 36 -5.421 -0.446 1.955 1.00 0.00 C ATOM 588 O TRP A 36 -5.153 -0.600 0.763 1.00 0.00 O ATOM 589 CB TRP A 36 -6.398 -2.717 2.253 1.00 0.00 C ATOM 590 CG TRP A 36 -6.527 -3.631 3.434 1.00 0.00 C ATOM 591 CD1 TRP A 36 -7.474 -4.597 3.626 1.00 0.00 C ATOM 592 CD2 TRP A 36 -5.683 -3.663 4.590 1.00 0.00 C ATOM 593 NE1 TRP A 36 -7.268 -5.226 4.830 1.00 0.00 N ATOM 594 CE2 TRP A 36 -6.175 -4.671 5.440 1.00 0.00 C ATOM 595 CE3 TRP A 36 -4.557 -2.938 4.987 1.00 0.00 C ATOM 596 CZ2 TRP A 36 -5.581 -4.970 6.662 1.00 0.00 C ATOM 597 CZ3 TRP A 36 -3.969 -3.237 6.201 1.00 0.00 C ATOM 598 CH2 TRP A 36 -4.483 -4.245 7.025 1.00 0.00 C ATOM 0 H TRP A 36 -8.074 -1.010 1.197 1.00 0.00 H new ATOM 0 HA TRP A 36 -6.486 -1.130 3.687 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -7.154 -2.983 1.514 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -5.426 -2.876 1.786 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -8.268 -4.832 2.933 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -7.837 -5.983 5.208 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -4.154 -2.159 4.357 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -5.974 -5.747 7.300 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -3.098 -2.684 6.520 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -4.000 -4.454 7.968 1.00 0.00 H new ATOM 609 N THR A 37 -4.764 0.408 2.734 1.00 0.00 N ATOM 610 CA THR A 37 -3.684 1.230 2.199 1.00 0.00 C ATOM 611 C THR A 37 -2.720 1.681 3.305 1.00 0.00 C ATOM 612 O THR A 37 -2.757 1.151 4.415 1.00 0.00 O ATOM 613 CB THR A 37 -4.260 2.458 1.468 1.00 0.00 C ATOM 614 OG1 THR A 37 -3.236 3.098 0.700 1.00 0.00 O ATOM 615 CG2 THR A 37 -4.847 3.447 2.462 1.00 0.00 C ATOM 0 H THR A 37 -4.957 0.548 3.726 1.00 0.00 H new ATOM 0 HA THR A 37 -3.122 0.621 1.491 1.00 0.00 H new ATOM 0 HB THR A 37 -5.053 2.119 0.801 1.00 0.00 H new ATOM 0 HG1 THR A 37 -3.391 2.933 -0.254 1.00 0.00 H new ATOM 0 HG21 THR A 37 -5.248 4.307 1.926 1.00 0.00 H new ATOM 0 HG22 THR A 37 -5.646 2.965 3.026 1.00 0.00 H new ATOM 0 HG23 THR A 37 -4.068 3.779 3.148 1.00 0.00 H new ATOM 623 N ARG A 38 -1.859 2.659 3.001 1.00 0.00 N ATOM 624 CA ARG A 38 -0.888 3.157 3.978 1.00 0.00 C ATOM 625 C ARG A 38 -1.512 4.218 4.886 1.00 0.00 C ATOM 626 O ARG A 38 -2.552 4.792 4.563 1.00 0.00 O ATOM 627 CB ARG A 38 0.348 3.725 3.265 1.00 0.00 C ATOM 628 CG ARG A 38 1.485 2.742 3.127 1.00 0.00 C ATOM 629 CD ARG A 38 2.526 3.228 2.132 1.00 0.00 C ATOM 630 NE ARG A 38 2.901 4.625 2.326 1.00 0.00 N ATOM 631 CZ ARG A 38 4.072 5.003 2.837 1.00 0.00 C ATOM 632 NH1 ARG A 38 4.936 4.091 3.264 1.00 0.00 N ATOM 633 NH2 ARG A 38 4.381 6.288 2.923 1.00 0.00 N ATOM 0 H ARG A 38 -1.816 3.118 2.091 1.00 0.00 H new ATOM 0 HA ARG A 38 -0.579 2.318 4.602 1.00 0.00 H new ATOM 0 HB2 ARG A 38 0.056 4.068 2.273 1.00 0.00 H new ATOM 0 HB3 ARG A 38 0.701 4.598 3.813 1.00 0.00 H new ATOM 0 HG2 ARG A 38 1.954 2.588 4.099 1.00 0.00 H new ATOM 0 HG3 ARG A 38 1.095 1.777 2.804 1.00 0.00 H new ATOM 0 HD2 ARG A 38 3.417 2.605 2.215 1.00 0.00 H new ATOM 0 HD3 ARG A 38 2.140 3.100 1.121 1.00 0.00 H new ATOM 0 HE ARG A 38 2.234 5.348 2.057 1.00 0.00 H new ATOM 0 HH11 ARG A 38 4.704 3.100 3.201 1.00 0.00 H new ATOM 0 HH12 ARG A 38 5.832 4.381 3.655 1.00 0.00 H new ATOM 0 HH21 ARG A 38 3.721 6.994 2.597 1.00 0.00 H new ATOM 0 HH22 ARG A 38 5.279 6.571 3.315 1.00 0.00 H new ATOM 647 N VAL A 39 -0.867 4.470 6.025 1.00 0.00 N ATOM 648 CA VAL A 39 -1.358 5.451 6.992 1.00 0.00 C ATOM 649 C VAL A 39 -1.082 6.880 6.539 1.00 0.00 C ATOM 650 O VAL A 39 -0.002 7.184 6.033 1.00 0.00 O ATOM 651 CB VAL A 39 -0.713 5.245 8.376 1.00 0.00 C ATOM 652 CG1 VAL A 39 -1.282 6.230 9.387 1.00 0.00 C ATOM 653 CG2 VAL A 39 -0.905 3.814 8.853 1.00 0.00 C ATOM 0 H VAL A 39 -0.001 4.007 6.301 1.00 0.00 H new ATOM 0 HA VAL A 39 -2.435 5.298 7.061 1.00 0.00 H new ATOM 0 HB VAL A 39 0.357 5.432 8.283 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -0.813 6.067 10.357 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.083 7.249 9.054 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -2.358 6.081 9.475 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.442 3.692 9.832 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -1.970 3.595 8.926 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -0.441 3.129 8.144 1.00 0.00 H new ATOM 663 N GLY A 40 -2.061 7.758 6.740 1.00 0.00 N ATOM 664 CA GLY A 40 -1.907 9.149 6.353 1.00 0.00 C ATOM 665 C GLY A 40 -2.029 9.354 4.858 1.00 0.00 C ATOM 666 O GLY A 40 -1.590 10.373 4.326 1.00 0.00 O ATOM 0 H GLY A 40 -2.960 7.530 7.165 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.662 9.749 6.861 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -0.934 9.510 6.687 1.00 0.00 H new ATOM 670 N PHE A 41 -2.628 8.383 4.179 1.00 0.00 N ATOM 671 CA PHE A 41 -2.807 8.455 2.735 1.00 0.00 C ATOM 672 C PHE A 41 -4.216 8.040 2.349 1.00 0.00 C ATOM 673 O PHE A 41 -4.580 8.059 1.174 1.00 0.00 O ATOM 674 CB PHE A 41 -1.775 7.575 2.041 1.00 0.00 C ATOM 675 CG PHE A 41 -0.373 7.969 2.391 1.00 0.00 C ATOM 676 CD1 PHE A 41 0.145 9.181 1.966 1.00 0.00 C ATOM 677 CD2 PHE A 41 0.415 7.141 3.165 1.00 0.00 C ATOM 678 CE1 PHE A 41 1.430 9.556 2.306 1.00 0.00 C ATOM 679 CE2 PHE A 41 1.699 7.510 3.512 1.00 0.00 C ATOM 680 CZ PHE A 41 2.208 8.720 3.082 1.00 0.00 C ATOM 0 H PHE A 41 -2.999 7.535 4.607 1.00 0.00 H new ATOM 0 HA PHE A 41 -2.661 9.486 2.413 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -1.939 6.534 2.321 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -1.911 7.640 0.961 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -0.462 9.840 1.363 1.00 0.00 H new ATOM 0 HD2 PHE A 41 0.022 6.193 3.503 1.00 0.00 H new ATOM 0 HE1 PHE A 41 1.826 10.501 1.965 1.00 0.00 H new ATOM 0 HE2 PHE A 41 2.305 6.854 4.119 1.00 0.00 H new ATOM 0 HZ PHE A 41 3.212 9.011 3.352 1.00 0.00 H new ATOM 690 N VAL A 42 -4.991 7.646 3.352 1.00 0.00 N ATOM 691 CA VAL A 42 -6.378 7.242 3.149 1.00 0.00 C ATOM 692 C VAL A 42 -7.079 8.151 2.137 1.00 0.00 C ATOM 693 O VAL A 42 -7.366 9.314 2.424 1.00 0.00 O ATOM 694 CB VAL A 42 -7.161 7.265 4.479 1.00 0.00 C ATOM 695 CG1 VAL A 42 -6.902 8.560 5.234 1.00 0.00 C ATOM 696 CG2 VAL A 42 -8.651 7.069 4.238 1.00 0.00 C ATOM 0 H VAL A 42 -4.680 7.597 4.322 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.361 6.224 2.759 1.00 0.00 H new ATOM 0 HB VAL A 42 -6.808 6.436 5.092 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -7.464 8.555 6.168 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -5.837 8.648 5.451 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -7.219 9.406 4.625 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -9.179 7.089 5.191 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -9.025 7.869 3.599 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -8.818 6.108 3.751 1.00 0.00 H new ATOM 706 N GLY A 43 -7.346 7.613 0.951 1.00 0.00 N ATOM 707 CA GLY A 43 -8.009 8.385 -0.085 1.00 0.00 C ATOM 708 C GLY A 43 -7.066 8.789 -1.201 1.00 0.00 C ATOM 709 O GLY A 43 -7.407 8.681 -2.380 1.00 0.00 O ATOM 0 H GLY A 43 -7.115 6.655 0.688 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.829 7.800 -0.501 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.448 9.279 0.357 1.00 0.00 H new ATOM 713 N LYS A 44 -5.878 9.255 -0.829 1.00 0.00 N ATOM 714 CA LYS A 44 -4.876 9.678 -1.797 1.00 0.00 C ATOM 715 C LYS A 44 -4.550 8.553 -2.776 1.00 0.00 C ATOM 716 O LYS A 44 -4.869 7.390 -2.531 1.00 0.00 O ATOM 717 CB LYS A 44 -3.607 10.119 -1.069 1.00 0.00 C ATOM 718 CG LYS A 44 -3.853 11.175 -0.003 1.00 0.00 C ATOM 719 CD LYS A 44 -2.555 11.626 0.645 1.00 0.00 C ATOM 720 CE LYS A 44 -2.799 12.693 1.699 1.00 0.00 C ATOM 721 NZ LYS A 44 -3.685 12.202 2.792 1.00 0.00 N ATOM 0 H LYS A 44 -5.586 9.349 0.144 1.00 0.00 H new ATOM 0 HA LYS A 44 -5.280 10.517 -2.364 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -3.143 9.248 -0.606 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -2.897 10.509 -1.798 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -4.355 12.033 -0.449 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.522 10.775 0.759 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -2.058 10.770 1.101 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -1.882 12.015 -0.119 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -1.846 13.012 2.120 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -3.250 13.568 1.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -3.759 12.929 3.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -4.631 12.001 2.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -3.285 11.333 3.199 1.00 0.00 H new ATOM 735 N ASP A 45 -3.909 8.909 -3.886 1.00 0.00 N ATOM 736 CA ASP A 45 -3.539 7.940 -4.901 1.00 0.00 C ATOM 737 C ASP A 45 -2.185 7.311 -4.585 1.00 0.00 C ATOM 738 O ASP A 45 -2.024 6.093 -4.653 1.00 0.00 O ATOM 739 CB ASP A 45 -3.494 8.618 -6.267 1.00 0.00 C ATOM 740 CG ASP A 45 -4.873 8.996 -6.773 1.00 0.00 C ATOM 741 OD1 ASP A 45 -5.326 10.121 -6.475 1.00 0.00 O ATOM 742 OD2 ASP A 45 -5.499 8.166 -7.465 1.00 0.00 O ATOM 0 H ASP A 45 -3.636 9.868 -4.102 1.00 0.00 H new ATOM 0 HA ASP A 45 -4.288 7.148 -4.914 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -2.875 9.513 -6.205 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -3.017 7.951 -6.985 1.00 0.00 H new ATOM 747 N VAL A 46 -1.216 8.153 -4.241 1.00 0.00 N ATOM 748 CA VAL A 46 0.124 7.684 -3.914 1.00 0.00 C ATOM 749 C VAL A 46 0.352 7.664 -2.409 1.00 0.00 C ATOM 750 O VAL A 46 -0.011 8.602 -1.698 1.00 0.00 O ATOM 751 CB VAL A 46 1.207 8.553 -4.590 1.00 0.00 C ATOM 752 CG1 VAL A 46 2.505 8.541 -3.792 1.00 0.00 C ATOM 753 CG2 VAL A 46 1.449 8.072 -6.009 1.00 0.00 C ATOM 0 H VAL A 46 -1.335 9.164 -4.182 1.00 0.00 H new ATOM 0 HA VAL A 46 0.204 6.666 -4.295 1.00 0.00 H new ATOM 0 HB VAL A 46 0.848 9.582 -4.621 1.00 0.00 H new ATOM 0 HG11 VAL A 46 3.247 9.162 -4.294 1.00 0.00 H new ATOM 0 HG12 VAL A 46 2.321 8.933 -2.792 1.00 0.00 H new ATOM 0 HG13 VAL A 46 2.877 7.519 -3.718 1.00 0.00 H new ATOM 0 HG21 VAL A 46 2.214 8.691 -6.477 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.783 7.035 -5.990 1.00 0.00 H new ATOM 0 HG23 VAL A 46 0.524 8.144 -6.581 1.00 0.00 H new ATOM 763 N LEU A 47 0.958 6.584 -1.938 1.00 0.00 N ATOM 764 CA LEU A 47 1.252 6.421 -0.524 1.00 0.00 C ATOM 765 C LEU A 47 2.726 6.709 -0.262 1.00 0.00 C ATOM 766 O LEU A 47 3.075 7.482 0.628 1.00 0.00 O ATOM 767 CB LEU A 47 0.903 5.004 -0.083 1.00 0.00 C ATOM 768 CG LEU A 47 -0.304 4.385 -0.792 1.00 0.00 C ATOM 769 CD1 LEU A 47 -0.466 2.924 -0.399 1.00 0.00 C ATOM 770 CD2 LEU A 47 -1.570 5.169 -0.482 1.00 0.00 C ATOM 0 H LEU A 47 1.257 5.802 -2.521 1.00 0.00 H new ATOM 0 HA LEU A 47 0.651 7.126 0.050 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.770 4.364 -0.248 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.711 5.010 0.990 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.129 4.432 -1.867 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -1.329 2.502 -0.914 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.430 2.370 -0.680 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.615 2.851 0.678 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -2.416 4.712 -0.996 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -1.750 5.159 0.593 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -1.453 6.198 -0.821 1.00 0.00 H new ATOM 782 N SER A 48 3.584 6.068 -1.049 1.00 0.00 N ATOM 783 CA SER A 48 5.026 6.245 -0.946 1.00 0.00 C ATOM 784 C SER A 48 5.418 7.723 -0.964 1.00 0.00 C ATOM 785 O SER A 48 4.577 8.598 -1.162 1.00 0.00 O ATOM 786 CB SER A 48 5.704 5.527 -2.106 1.00 0.00 C ATOM 787 OG SER A 48 5.462 6.196 -3.332 1.00 0.00 O ATOM 0 H SER A 48 3.298 5.412 -1.776 1.00 0.00 H new ATOM 0 HA SER A 48 5.351 5.824 0.005 1.00 0.00 H new ATOM 0 HB2 SER A 48 6.777 5.470 -1.925 1.00 0.00 H new ATOM 0 HB3 SER A 48 5.337 4.503 -2.168 1.00 0.00 H new ATOM 0 HG SER A 48 5.909 5.716 -4.060 1.00 0.00 H new ATOM 793 N ASP A 49 6.710 7.987 -0.774 1.00 0.00 N ATOM 794 CA ASP A 49 7.218 9.356 -0.768 1.00 0.00 C ATOM 795 C ASP A 49 8.701 9.395 -1.123 1.00 0.00 C ATOM 796 O ASP A 49 9.068 9.529 -2.290 1.00 0.00 O ATOM 797 CB ASP A 49 7.001 10.007 0.600 1.00 0.00 C ATOM 798 CG ASP A 49 5.549 10.363 0.853 1.00 0.00 C ATOM 799 OD1 ASP A 49 5.137 11.479 0.474 1.00 0.00 O ATOM 800 OD2 ASP A 49 4.825 9.526 1.432 1.00 0.00 O ATOM 0 H ASP A 49 7.422 7.272 -0.623 1.00 0.00 H new ATOM 0 HA ASP A 49 6.664 9.915 -1.522 1.00 0.00 H new ATOM 0 HB2 ASP A 49 7.346 9.328 1.380 1.00 0.00 H new ATOM 0 HB3 ASP A 49 7.610 10.909 0.670 1.00 0.00 H new ATOM 805 N GLU A 50 9.546 9.276 -0.104 1.00 0.00 N ATOM 806 CA GLU A 50 10.987 9.309 -0.294 1.00 0.00 C ATOM 807 C GLU A 50 11.661 8.144 0.423 1.00 0.00 C ATOM 808 O GLU A 50 12.686 7.631 -0.027 1.00 0.00 O ATOM 809 CB GLU A 50 11.532 10.631 0.236 1.00 0.00 C ATOM 810 CG GLU A 50 11.365 10.799 1.739 1.00 0.00 C ATOM 811 CD GLU A 50 11.943 12.104 2.249 1.00 0.00 C ATOM 812 OE1 GLU A 50 13.139 12.125 2.606 1.00 0.00 O ATOM 813 OE2 GLU A 50 11.198 13.106 2.291 1.00 0.00 O ATOM 0 H GLU A 50 9.253 9.155 0.866 1.00 0.00 H new ATOM 0 HA GLU A 50 11.202 9.219 -1.359 1.00 0.00 H new ATOM 0 HB2 GLU A 50 12.590 10.705 -0.014 1.00 0.00 H new ATOM 0 HB3 GLU A 50 11.027 11.453 -0.272 1.00 0.00 H new ATOM 0 HG2 GLU A 50 10.305 10.753 1.990 1.00 0.00 H new ATOM 0 HG3 GLU A 50 11.850 9.967 2.250 1.00 0.00 H new ATOM 820 N ILE A 51 11.076 7.736 1.542 1.00 0.00 N ATOM 821 CA ILE A 51 11.610 6.639 2.337 1.00 0.00 C ATOM 822 C ILE A 51 11.406 5.302 1.642 1.00 0.00 C ATOM 823 O ILE A 51 12.354 4.694 1.150 1.00 0.00 O ATOM 824 CB ILE A 51 10.932 6.589 3.716 1.00 0.00 C ATOM 825 CG1 ILE A 51 10.944 7.974 4.357 1.00 0.00 C ATOM 826 CG2 ILE A 51 11.615 5.570 4.614 1.00 0.00 C ATOM 827 CD1 ILE A 51 12.327 8.457 4.738 1.00 0.00 C ATOM 0 H ILE A 51 10.225 8.152 1.921 1.00 0.00 H new ATOM 0 HA ILE A 51 12.678 6.819 2.457 1.00 0.00 H new ATOM 0 HB ILE A 51 9.896 6.278 3.585 1.00 0.00 H new ATOM 0 HG12 ILE A 51 10.497 8.688 3.666 1.00 0.00 H new ATOM 0 HG13 ILE A 51 10.316 7.958 5.248 1.00 0.00 H new ATOM 0 HG21 ILE A 51 11.120 5.551 5.585 1.00 0.00 H new ATOM 0 HG22 ILE A 51 11.554 4.583 4.156 1.00 0.00 H new ATOM 0 HG23 ILE A 51 12.661 5.845 4.746 1.00 0.00 H new ATOM 0 HD11 ILE A 51 12.256 9.448 5.187 1.00 0.00 H new ATOM 0 HD12 ILE A 51 12.770 7.765 5.454 1.00 0.00 H new ATOM 0 HD13 ILE A 51 12.953 8.507 3.847 1.00 0.00 H new ATOM 839 N LEU A 52 10.164 4.840 1.631 1.00 0.00 N ATOM 840 CA LEU A 52 9.824 3.576 0.987 1.00 0.00 C ATOM 841 C LEU A 52 9.054 3.800 -0.306 1.00 0.00 C ATOM 842 O LEU A 52 7.978 4.394 -0.295 1.00 0.00 O ATOM 843 CB LEU A 52 8.981 2.708 1.924 1.00 0.00 C ATOM 844 CG LEU A 52 9.772 1.822 2.881 1.00 0.00 C ATOM 845 CD1 LEU A 52 8.849 1.196 3.913 1.00 0.00 C ATOM 846 CD2 LEU A 52 10.524 0.746 2.116 1.00 0.00 C ATOM 0 H LEU A 52 9.373 5.321 2.061 1.00 0.00 H new ATOM 0 HA LEU A 52 10.760 3.068 0.755 1.00 0.00 H new ATOM 0 HB2 LEU A 52 8.333 3.359 2.510 1.00 0.00 H new ATOM 0 HB3 LEU A 52 8.333 2.073 1.319 1.00 0.00 H new ATOM 0 HG LEU A 52 10.500 2.444 3.402 1.00 0.00 H new ATOM 0 HD11 LEU A 52 9.430 0.567 4.587 1.00 0.00 H new ATOM 0 HD12 LEU A 52 8.356 1.982 4.485 1.00 0.00 H new ATOM 0 HD13 LEU A 52 8.098 0.589 3.408 1.00 0.00 H new ATOM 0 HD21 LEU A 52 11.082 0.124 2.816 1.00 0.00 H new ATOM 0 HD22 LEU A 52 9.815 0.127 1.567 1.00 0.00 H new ATOM 0 HD23 LEU A 52 11.216 1.214 1.415 1.00 0.00 H new ATOM 858 N GLU A 53 9.621 3.345 -1.423 1.00 0.00 N ATOM 859 CA GLU A 53 8.951 3.453 -2.711 1.00 0.00 C ATOM 860 C GLU A 53 7.770 2.494 -2.750 1.00 0.00 C ATOM 861 O GLU A 53 7.785 1.493 -3.468 1.00 0.00 O ATOM 862 CB GLU A 53 9.924 3.138 -3.846 1.00 0.00 C ATOM 863 CG GLU A 53 10.412 4.371 -4.581 1.00 0.00 C ATOM 864 CD GLU A 53 9.666 4.612 -5.878 1.00 0.00 C ATOM 865 OE1 GLU A 53 8.636 5.317 -5.848 1.00 0.00 O ATOM 866 OE2 GLU A 53 10.114 4.097 -6.925 1.00 0.00 O ATOM 0 H GLU A 53 10.538 2.901 -1.459 1.00 0.00 H new ATOM 0 HA GLU A 53 8.591 4.474 -2.841 1.00 0.00 H new ATOM 0 HB2 GLU A 53 10.782 2.602 -3.440 1.00 0.00 H new ATOM 0 HB3 GLU A 53 9.438 2.469 -4.556 1.00 0.00 H new ATOM 0 HG2 GLU A 53 10.300 5.242 -3.935 1.00 0.00 H new ATOM 0 HG3 GLU A 53 11.476 4.265 -4.793 1.00 0.00 H new ATOM 873 N VAL A 54 6.753 2.806 -1.958 1.00 0.00 N ATOM 874 CA VAL A 54 5.567 1.975 -1.864 1.00 0.00 C ATOM 875 C VAL A 54 4.647 2.144 -3.063 1.00 0.00 C ATOM 876 O VAL A 54 3.692 2.920 -3.020 1.00 0.00 O ATOM 877 CB VAL A 54 4.763 2.286 -0.590 1.00 0.00 C ATOM 878 CG1 VAL A 54 3.703 1.223 -0.368 1.00 0.00 C ATOM 879 CG2 VAL A 54 5.683 2.405 0.616 1.00 0.00 C ATOM 0 H VAL A 54 6.729 3.637 -1.367 1.00 0.00 H new ATOM 0 HA VAL A 54 5.927 0.947 -1.835 1.00 0.00 H new ATOM 0 HB VAL A 54 4.264 3.246 -0.719 1.00 0.00 H new ATOM 0 HG11 VAL A 54 3.140 1.454 0.537 1.00 0.00 H new ATOM 0 HG12 VAL A 54 3.025 1.201 -1.221 1.00 0.00 H new ATOM 0 HG13 VAL A 54 4.181 0.249 -0.260 1.00 0.00 H new ATOM 0 HG21 VAL A 54 5.091 2.625 1.505 1.00 0.00 H new ATOM 0 HG22 VAL A 54 6.218 1.466 0.760 1.00 0.00 H new ATOM 0 HG23 VAL A 54 6.400 3.209 0.449 1.00 0.00 H new ATOM 889 N VAL A 55 4.941 1.423 -4.134 1.00 0.00 N ATOM 890 CA VAL A 55 4.110 1.470 -5.322 1.00 0.00 C ATOM 891 C VAL A 55 2.941 0.517 -5.153 1.00 0.00 C ATOM 892 O VAL A 55 3.003 -0.647 -5.548 1.00 0.00 O ATOM 893 CB VAL A 55 4.885 1.090 -6.586 1.00 0.00 C ATOM 894 CG1 VAL A 55 4.057 1.403 -7.821 1.00 0.00 C ATOM 895 CG2 VAL A 55 6.228 1.802 -6.629 1.00 0.00 C ATOM 0 H VAL A 55 5.746 0.801 -4.203 1.00 0.00 H new ATOM 0 HA VAL A 55 3.761 2.496 -5.440 1.00 0.00 H new ATOM 0 HB VAL A 55 5.080 0.018 -6.568 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.618 1.129 -8.714 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.127 0.836 -7.789 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.832 2.469 -7.847 1.00 0.00 H new ATOM 0 HG21 VAL A 55 6.762 1.517 -7.536 1.00 0.00 H new ATOM 0 HG22 VAL A 55 6.068 2.880 -6.625 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.818 1.520 -5.757 1.00 0.00 H new ATOM 905 N CYS A 56 1.884 1.023 -4.552 1.00 0.00 N ATOM 906 CA CYS A 56 0.693 0.227 -4.286 1.00 0.00 C ATOM 907 C CYS A 56 -0.350 0.404 -5.377 1.00 0.00 C ATOM 908 O CYS A 56 -0.435 1.455 -6.011 1.00 0.00 O ATOM 909 CB CYS A 56 0.095 0.609 -2.932 1.00 0.00 C ATOM 910 SG CYS A 56 -1.464 -0.223 -2.551 1.00 0.00 S ATOM 0 H CYS A 56 1.821 1.990 -4.234 1.00 0.00 H new ATOM 0 HA CYS A 56 0.992 -0.821 -4.269 1.00 0.00 H new ATOM 0 HB2 CYS A 56 0.818 0.378 -2.150 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -0.066 1.687 -2.909 1.00 0.00 H new ATOM 0 HG CYS A 56 -1.889 0.164 -1.385 1.00 0.00 H new ATOM 916 N LYS A 57 -1.143 -0.640 -5.586 1.00 0.00 N ATOM 917 CA LYS A 57 -2.193 -0.613 -6.590 1.00 0.00 C ATOM 918 C LYS A 57 -3.453 -1.282 -6.060 1.00 0.00 C ATOM 919 O LYS A 57 -3.454 -2.471 -5.729 1.00 0.00 O ATOM 920 CB LYS A 57 -1.740 -1.310 -7.871 1.00 0.00 C ATOM 921 CG LYS A 57 -0.399 -0.820 -8.393 1.00 0.00 C ATOM 922 CD LYS A 57 0.001 -1.544 -9.668 1.00 0.00 C ATOM 923 CE LYS A 57 1.344 -1.057 -10.187 1.00 0.00 C ATOM 924 NZ LYS A 57 1.326 0.399 -10.497 1.00 0.00 N ATOM 0 H LYS A 57 -1.076 -1.517 -5.070 1.00 0.00 H new ATOM 0 HA LYS A 57 -2.411 0.430 -6.819 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -1.678 -2.383 -7.688 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -2.496 -1.161 -8.642 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.451 0.252 -8.583 1.00 0.00 H new ATOM 0 HG3 LYS A 57 0.366 -0.972 -7.632 1.00 0.00 H new ATOM 0 HD2 LYS A 57 0.050 -2.616 -9.479 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -0.763 -1.389 -10.430 1.00 0.00 H new ATOM 0 HE2 LYS A 57 2.115 -1.260 -9.444 1.00 0.00 H new ATOM 0 HE3 LYS A 57 1.610 -1.616 -11.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 2.164 0.644 -11.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 0.466 0.629 -11.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 1.335 0.943 -9.611 1.00 0.00 H new ATOM 938 N TYR A 58 -4.516 -0.501 -5.977 1.00 0.00 N ATOM 939 CA TYR A 58 -5.800 -0.991 -5.499 1.00 0.00 C ATOM 940 C TYR A 58 -6.672 -1.363 -6.698 1.00 0.00 C ATOM 941 O TYR A 58 -7.240 -0.491 -7.355 1.00 0.00 O ATOM 942 CB TYR A 58 -6.481 0.081 -4.638 1.00 0.00 C ATOM 943 CG TYR A 58 -7.510 -0.461 -3.674 1.00 0.00 C ATOM 944 CD1 TYR A 58 -8.593 -1.199 -4.134 1.00 0.00 C ATOM 945 CD2 TYR A 58 -7.400 -0.231 -2.302 1.00 0.00 C ATOM 946 CE1 TYR A 58 -9.541 -1.696 -3.262 1.00 0.00 C ATOM 947 CE2 TYR A 58 -8.348 -0.726 -1.427 1.00 0.00 C ATOM 948 CZ TYR A 58 -9.414 -1.455 -1.910 1.00 0.00 C ATOM 949 OH TYR A 58 -10.355 -1.946 -1.036 1.00 0.00 O ATOM 0 H TYR A 58 -4.516 0.485 -6.237 1.00 0.00 H new ATOM 0 HA TYR A 58 -5.652 -1.877 -4.882 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -5.718 0.617 -4.074 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -6.961 0.807 -5.294 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -8.695 -1.387 -5.193 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -6.566 0.339 -1.920 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -10.376 -2.270 -3.636 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -8.254 -0.542 -0.367 1.00 0.00 H new ATOM 0 HH TYR A 58 -10.154 -2.883 -0.831 1.00 0.00 H new ATOM 959 N THR A 59 -6.761 -2.662 -6.985 1.00 0.00 N ATOM 960 CA THR A 59 -7.535 -3.146 -8.128 1.00 0.00 C ATOM 961 C THR A 59 -8.822 -3.842 -7.708 1.00 0.00 C ATOM 962 O THR A 59 -8.845 -5.054 -7.510 1.00 0.00 O ATOM 963 CB THR A 59 -6.706 -4.127 -8.979 1.00 0.00 C ATOM 964 OG1 THR A 59 -5.445 -3.537 -9.319 1.00 0.00 O ATOM 965 CG2 THR A 59 -7.450 -4.508 -10.250 1.00 0.00 C ATOM 0 H THR A 59 -6.307 -3.397 -6.442 1.00 0.00 H new ATOM 0 HA THR A 59 -7.792 -2.263 -8.713 1.00 0.00 H new ATOM 0 HB THR A 59 -6.540 -5.029 -8.391 1.00 0.00 H new ATOM 0 HG1 THR A 59 -4.924 -4.168 -9.858 1.00 0.00 H new ATOM 0 HG21 THR A 59 -6.843 -5.201 -10.833 1.00 0.00 H new ATOM 0 HG22 THR A 59 -8.395 -4.984 -9.989 1.00 0.00 H new ATOM 0 HG23 THR A 59 -7.645 -3.612 -10.840 1.00 0.00 H new ATOM 973 N PRO A 60 -9.918 -3.081 -7.593 1.00 0.00 N ATOM 974 CA PRO A 60 -11.221 -3.617 -7.215 1.00 0.00 C ATOM 975 C PRO A 60 -11.963 -4.201 -8.413 1.00 0.00 C ATOM 976 O PRO A 60 -11.417 -4.270 -9.514 1.00 0.00 O ATOM 977 CB PRO A 60 -11.939 -2.383 -6.691 1.00 0.00 C ATOM 978 CG PRO A 60 -11.393 -1.267 -7.510 1.00 0.00 C ATOM 979 CD PRO A 60 -9.974 -1.626 -7.825 1.00 0.00 C ATOM 0 HA PRO A 60 -11.154 -4.434 -6.497 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -13.019 -2.471 -6.808 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -11.745 -2.230 -5.629 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -11.972 -1.137 -8.424 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -11.443 -0.325 -6.964 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -9.717 -1.375 -8.854 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -9.274 -1.091 -7.182 1.00 0.00 H new ATOM 987 N THR A 61 -13.206 -4.619 -8.198 1.00 0.00 N ATOM 988 CA THR A 61 -14.010 -5.185 -9.275 1.00 0.00 C ATOM 989 C THR A 61 -14.551 -4.084 -10.187 1.00 0.00 C ATOM 990 O THR A 61 -14.949 -3.020 -9.712 1.00 0.00 O ATOM 991 CB THR A 61 -15.195 -6.009 -8.733 1.00 0.00 C ATOM 992 OG1 THR A 61 -14.962 -6.369 -7.368 1.00 0.00 O ATOM 993 CG2 THR A 61 -15.404 -7.269 -9.559 1.00 0.00 C ATOM 0 H THR A 61 -13.676 -4.577 -7.294 1.00 0.00 H new ATOM 0 HA THR A 61 -13.353 -5.845 -9.842 1.00 0.00 H new ATOM 0 HB THR A 61 -16.092 -5.393 -8.800 1.00 0.00 H new ATOM 0 HG1 THR A 61 -13.998 -6.436 -7.207 1.00 0.00 H new ATOM 0 HG21 THR A 61 -16.246 -7.833 -9.156 1.00 0.00 H new ATOM 0 HG22 THR A 61 -15.612 -6.996 -10.593 1.00 0.00 H new ATOM 0 HG23 THR A 61 -14.504 -7.883 -9.520 1.00 0.00 H new ATOM 1001 N PRO A 62 -14.571 -4.325 -11.511 1.00 0.00 N ATOM 1002 CA PRO A 62 -15.067 -3.344 -12.484 1.00 0.00 C ATOM 1003 C PRO A 62 -16.546 -3.027 -12.281 1.00 0.00 C ATOM 1004 O PRO A 62 -17.393 -3.919 -12.330 1.00 0.00 O ATOM 1005 CB PRO A 62 -14.853 -4.029 -13.840 1.00 0.00 C ATOM 1006 CG PRO A 62 -13.875 -5.123 -13.578 1.00 0.00 C ATOM 1007 CD PRO A 62 -14.117 -5.561 -12.165 1.00 0.00 C ATOM 0 HA PRO A 62 -14.549 -2.389 -12.391 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -15.790 -4.424 -14.233 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -14.468 -3.326 -14.579 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -14.019 -5.950 -14.273 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -12.852 -4.771 -13.708 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -14.870 -6.347 -12.109 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -13.211 -5.953 -11.703 1.00 0.00 H new ATOM 1015 N SER A 63 -16.848 -1.752 -12.054 1.00 0.00 N ATOM 1016 CA SER A 63 -18.224 -1.318 -11.845 1.00 0.00 C ATOM 1017 C SER A 63 -18.689 -0.426 -12.993 1.00 0.00 C ATOM 1018 O SER A 63 -17.937 -0.169 -13.934 1.00 0.00 O ATOM 1019 CB SER A 63 -18.350 -0.571 -10.516 1.00 0.00 C ATOM 1020 OG SER A 63 -19.705 -0.275 -10.222 1.00 0.00 O ATOM 0 H SER A 63 -16.158 -1.002 -12.010 1.00 0.00 H new ATOM 0 HA SER A 63 -18.860 -2.203 -11.815 1.00 0.00 H new ATOM 0 HB2 SER A 63 -17.924 -1.175 -9.714 1.00 0.00 H new ATOM 0 HB3 SER A 63 -17.774 0.353 -10.559 1.00 0.00 H new ATOM 0 HG SER A 63 -19.761 0.172 -9.352 1.00 0.00 H new ATOM 1026 N SER A 64 -19.930 0.041 -12.909 1.00 0.00 N ATOM 1027 CA SER A 64 -20.495 0.901 -13.942 1.00 0.00 C ATOM 1028 C SER A 64 -19.854 2.285 -13.914 1.00 0.00 C ATOM 1029 O SER A 64 -19.144 2.670 -14.843 1.00 0.00 O ATOM 1030 CB SER A 64 -22.009 1.023 -13.761 1.00 0.00 C ATOM 1031 OG SER A 64 -22.577 1.854 -14.759 1.00 0.00 O ATOM 0 H SER A 64 -20.564 -0.162 -12.136 1.00 0.00 H new ATOM 0 HA SER A 64 -20.286 0.446 -14.910 1.00 0.00 H new ATOM 0 HB2 SER A 64 -22.464 0.034 -13.805 1.00 0.00 H new ATOM 0 HB3 SER A 64 -22.229 1.432 -12.775 1.00 0.00 H new ATOM 0 HG SER A 64 -23.546 1.914 -14.622 1.00 0.00 H new ATOM 1037 N THR A 65 -20.109 3.030 -12.842 1.00 0.00 N ATOM 1038 CA THR A 65 -19.559 4.374 -12.696 1.00 0.00 C ATOM 1039 C THR A 65 -18.327 4.395 -11.786 1.00 0.00 C ATOM 1040 O THR A 65 -17.301 4.971 -12.144 1.00 0.00 O ATOM 1041 CB THR A 65 -20.613 5.361 -12.151 1.00 0.00 C ATOM 1042 OG1 THR A 65 -21.770 5.358 -12.996 1.00 0.00 O ATOM 1043 CG2 THR A 65 -20.045 6.771 -12.070 1.00 0.00 C ATOM 0 H THR A 65 -20.692 2.726 -12.062 1.00 0.00 H new ATOM 0 HA THR A 65 -19.258 4.690 -13.695 1.00 0.00 H new ATOM 0 HB THR A 65 -20.893 5.040 -11.148 1.00 0.00 H new ATOM 0 HG1 THR A 65 -22.435 5.985 -12.643 1.00 0.00 H new ATOM 0 HG21 THR A 65 -20.806 7.448 -11.683 1.00 0.00 H new ATOM 0 HG22 THR A 65 -19.182 6.778 -11.405 1.00 0.00 H new ATOM 0 HG23 THR A 65 -19.740 7.098 -13.064 1.00 0.00 H new ATOM 1051 N PRO A 66 -18.408 3.766 -10.597 1.00 0.00 N ATOM 1052 CA PRO A 66 -17.296 3.728 -9.643 1.00 0.00 C ATOM 1053 C PRO A 66 -16.145 2.851 -10.125 1.00 0.00 C ATOM 1054 O PRO A 66 -16.338 1.948 -10.938 1.00 0.00 O ATOM 1055 CB PRO A 66 -17.923 3.134 -8.370 1.00 0.00 C ATOM 1056 CG PRO A 66 -19.398 3.169 -8.601 1.00 0.00 C ATOM 1057 CD PRO A 66 -19.578 3.050 -10.084 1.00 0.00 C ATOM 0 HA PRO A 66 -16.861 4.716 -9.496 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -17.576 2.115 -8.200 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -17.649 3.715 -7.489 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -19.896 2.352 -8.079 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -19.831 4.097 -8.227 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -19.594 2.010 -10.410 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -20.511 3.503 -10.418 1.00 0.00 H new ATOM 1065 N MET A 67 -14.948 3.127 -9.616 1.00 0.00 N ATOM 1066 CA MET A 67 -13.759 2.369 -9.988 1.00 0.00 C ATOM 1067 C MET A 67 -12.786 2.318 -8.819 1.00 0.00 C ATOM 1068 O MET A 67 -11.615 1.974 -8.980 1.00 0.00 O ATOM 1069 CB MET A 67 -13.077 3.001 -11.205 1.00 0.00 C ATOM 1070 CG MET A 67 -13.900 2.919 -12.481 1.00 0.00 C ATOM 1071 SD MET A 67 -14.201 1.221 -13.006 1.00 0.00 S ATOM 1072 CE MET A 67 -15.164 1.492 -14.491 1.00 0.00 C ATOM 0 H MET A 67 -14.776 3.873 -8.942 1.00 0.00 H new ATOM 0 HA MET A 67 -14.063 1.355 -10.246 1.00 0.00 H new ATOM 0 HB2 MET A 67 -12.864 4.048 -10.988 1.00 0.00 H new ATOM 0 HB3 MET A 67 -12.119 2.508 -11.369 1.00 0.00 H new ATOM 0 HG2 MET A 67 -14.855 3.422 -12.326 1.00 0.00 H new ATOM 0 HG3 MET A 67 -13.383 3.455 -13.277 1.00 0.00 H new ATOM 0 HE1 MET A 67 -15.428 0.532 -14.934 1.00 0.00 H new ATOM 0 HE2 MET A 67 -16.073 2.038 -14.240 1.00 0.00 H new ATOM 0 HE3 MET A 67 -14.578 2.071 -15.204 1.00 0.00 H new ATOM 1082 N VAL A 68 -13.291 2.659 -7.640 1.00 0.00 N ATOM 1083 CA VAL A 68 -12.483 2.673 -6.431 1.00 0.00 C ATOM 1084 C VAL A 68 -13.240 2.059 -5.257 1.00 0.00 C ATOM 1085 O VAL A 68 -14.413 2.364 -5.036 1.00 0.00 O ATOM 1086 CB VAL A 68 -12.068 4.114 -6.076 1.00 0.00 C ATOM 1087 CG1 VAL A 68 -11.443 4.175 -4.690 1.00 0.00 C ATOM 1088 CG2 VAL A 68 -11.110 4.664 -7.122 1.00 0.00 C ATOM 0 H VAL A 68 -14.264 2.931 -7.497 1.00 0.00 H new ATOM 0 HA VAL A 68 -11.591 2.077 -6.623 1.00 0.00 H new ATOM 0 HB VAL A 68 -12.964 4.734 -6.068 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -11.159 5.203 -4.464 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -12.164 3.827 -3.950 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -10.558 3.539 -4.662 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -10.827 5.682 -6.856 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -10.218 4.038 -7.163 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -11.598 4.666 -8.097 1.00 0.00 H new ATOM 1098 N GLY A 69 -12.561 1.196 -4.508 1.00 0.00 N ATOM 1099 CA GLY A 69 -13.185 0.553 -3.365 1.00 0.00 C ATOM 1100 C GLY A 69 -14.365 -0.313 -3.758 1.00 0.00 C ATOM 1101 O GLY A 69 -15.450 -0.190 -3.190 1.00 0.00 O ATOM 0 H GLY A 69 -11.590 0.930 -4.672 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -12.446 -0.059 -2.848 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -13.517 1.315 -2.660 1.00 0.00 H new ATOM 1105 N VAL A 70 -14.152 -1.191 -4.733 1.00 0.00 N ATOM 1106 CA VAL A 70 -15.206 -2.083 -5.204 1.00 0.00 C ATOM 1107 C VAL A 70 -14.881 -3.535 -4.871 1.00 0.00 C ATOM 1108 O VAL A 70 -15.570 -4.454 -5.314 1.00 0.00 O ATOM 1109 CB VAL A 70 -15.416 -1.957 -6.727 1.00 0.00 C ATOM 1110 CG1 VAL A 70 -16.871 -2.212 -7.089 1.00 0.00 C ATOM 1111 CG2 VAL A 70 -14.958 -0.595 -7.228 1.00 0.00 C ATOM 0 H VAL A 70 -13.259 -1.304 -5.213 1.00 0.00 H new ATOM 0 HA VAL A 70 -16.122 -1.786 -4.693 1.00 0.00 H new ATOM 0 HB VAL A 70 -14.806 -2.714 -7.220 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -16.999 -2.119 -8.167 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -17.153 -3.217 -6.776 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -17.505 -1.483 -6.584 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -15.116 -0.531 -8.305 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -15.531 0.187 -6.730 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -13.898 -0.464 -7.009 1.00 0.00 H new ATOM 1121 N GLY A 71 -13.828 -3.731 -4.084 1.00 0.00 N ATOM 1122 CA GLY A 71 -13.422 -5.073 -3.706 1.00 0.00 C ATOM 1123 C GLY A 71 -12.532 -5.716 -4.747 1.00 0.00 C ATOM 1124 O GLY A 71 -12.980 -6.024 -5.849 1.00 0.00 O ATOM 0 H GLY A 71 -13.248 -2.984 -3.701 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -12.895 -5.036 -2.753 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -14.308 -5.690 -3.557 1.00 0.00 H new ATOM 1128 N GLY A 72 -11.265 -5.924 -4.402 1.00 0.00 N ATOM 1129 CA GLY A 72 -10.340 -6.530 -5.341 1.00 0.00 C ATOM 1130 C GLY A 72 -9.002 -6.872 -4.722 1.00 0.00 C ATOM 1131 O GLY A 72 -8.927 -7.645 -3.766 1.00 0.00 O ATOM 0 H GLY A 72 -10.865 -5.685 -3.495 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -10.787 -7.437 -5.748 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -10.183 -5.849 -6.177 1.00 0.00 H new ATOM 1135 N ILE A 73 -7.942 -6.292 -5.274 1.00 0.00 N ATOM 1136 CA ILE A 73 -6.590 -6.540 -4.790 1.00 0.00 C ATOM 1137 C ILE A 73 -5.971 -5.296 -4.191 1.00 0.00 C ATOM 1138 O ILE A 73 -6.307 -4.166 -4.545 1.00 0.00 O ATOM 1139 CB ILE A 73 -5.666 -7.051 -5.917 1.00 0.00 C ATOM 1140 CG1 ILE A 73 -5.804 -8.562 -6.072 1.00 0.00 C ATOM 1141 CG2 ILE A 73 -4.202 -6.677 -5.675 1.00 0.00 C ATOM 1142 CD1 ILE A 73 -4.981 -9.348 -5.066 1.00 0.00 C ATOM 0 H ILE A 73 -7.994 -5.644 -6.060 1.00 0.00 H new ATOM 0 HA ILE A 73 -6.682 -7.305 -4.019 1.00 0.00 H new ATOM 0 HB ILE A 73 -5.980 -6.563 -6.840 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -6.853 -8.837 -5.966 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -5.501 -8.846 -7.080 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -3.589 -7.057 -6.493 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -4.107 -5.592 -5.624 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -3.865 -7.115 -4.735 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -5.125 -10.415 -5.232 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -3.926 -9.101 -5.187 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -5.300 -9.092 -4.056 1.00 0.00 H new ATOM 1154 N TYR A 74 -5.053 -5.543 -3.285 1.00 0.00 N ATOM 1155 CA TYR A 74 -4.311 -4.497 -2.609 1.00 0.00 C ATOM 1156 C TYR A 74 -2.834 -4.846 -2.709 1.00 0.00 C ATOM 1157 O TYR A 74 -2.194 -5.187 -1.713 1.00 0.00 O ATOM 1158 CB TYR A 74 -4.734 -4.366 -1.137 1.00 0.00 C ATOM 1159 CG TYR A 74 -6.191 -4.673 -0.869 1.00 0.00 C ATOM 1160 CD1 TYR A 74 -7.192 -4.164 -1.681 1.00 0.00 C ATOM 1161 CD2 TYR A 74 -6.565 -5.471 0.203 1.00 0.00 C ATOM 1162 CE1 TYR A 74 -8.520 -4.441 -1.436 1.00 0.00 C ATOM 1163 CE2 TYR A 74 -7.891 -5.751 0.455 1.00 0.00 C ATOM 1164 CZ TYR A 74 -8.866 -5.234 -0.367 1.00 0.00 C ATOM 1165 OH TYR A 74 -10.190 -5.510 -0.119 1.00 0.00 O ATOM 0 H TYR A 74 -4.796 -6.485 -2.992 1.00 0.00 H new ATOM 0 HA TYR A 74 -4.515 -3.536 -3.081 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -4.119 -5.035 -0.535 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -4.523 -3.351 -0.801 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -6.927 -3.539 -2.521 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -5.804 -5.880 0.851 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -9.286 -4.037 -2.081 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -8.164 -6.374 1.294 1.00 0.00 H new ATOM 0 HH TYR A 74 -10.444 -5.140 0.752 1.00 0.00 H new ATOM 1175 N VAL A 75 -2.313 -4.791 -3.935 1.00 0.00 N ATOM 1176 CA VAL A 75 -0.924 -5.131 -4.199 1.00 0.00 C ATOM 1177 C VAL A 75 0.003 -3.975 -3.871 1.00 0.00 C ATOM 1178 O VAL A 75 0.055 -2.972 -4.583 1.00 0.00 O ATOM 1179 CB VAL A 75 -0.712 -5.566 -5.665 1.00 0.00 C ATOM 1180 CG1 VAL A 75 -1.389 -4.602 -6.622 1.00 0.00 C ATOM 1181 CG2 VAL A 75 0.770 -5.676 -5.983 1.00 0.00 C ATOM 0 H VAL A 75 -2.840 -4.512 -4.762 1.00 0.00 H new ATOM 0 HA VAL A 75 -0.680 -5.971 -3.549 1.00 0.00 H new ATOM 0 HB VAL A 75 -1.168 -6.548 -5.793 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -1.224 -4.932 -7.648 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -2.459 -4.577 -6.417 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -0.971 -3.604 -6.490 1.00 0.00 H new ATOM 0 HG21 VAL A 75 0.898 -5.984 -7.021 1.00 0.00 H new ATOM 0 HG22 VAL A 75 1.248 -4.708 -5.830 1.00 0.00 H new ATOM 0 HG23 VAL A 75 1.229 -6.415 -5.326 1.00 0.00 H new ATOM 1191 N VAL A 76 0.732 -4.133 -2.783 1.00 0.00 N ATOM 1192 CA VAL A 76 1.668 -3.116 -2.334 1.00 0.00 C ATOM 1193 C VAL A 76 3.104 -3.484 -2.689 1.00 0.00 C ATOM 1194 O VAL A 76 3.572 -4.572 -2.357 1.00 0.00 O ATOM 1195 CB VAL A 76 1.571 -2.916 -0.813 1.00 0.00 C ATOM 1196 CG1 VAL A 76 2.582 -1.882 -0.349 1.00 0.00 C ATOM 1197 CG2 VAL A 76 0.160 -2.510 -0.416 1.00 0.00 C ATOM 0 H VAL A 76 0.694 -4.961 -2.189 1.00 0.00 H new ATOM 0 HA VAL A 76 1.400 -2.191 -2.845 1.00 0.00 H new ATOM 0 HB VAL A 76 1.801 -3.862 -0.323 1.00 0.00 H new ATOM 0 HG11 VAL A 76 2.500 -1.752 0.730 1.00 0.00 H new ATOM 0 HG12 VAL A 76 3.588 -2.219 -0.599 1.00 0.00 H new ATOM 0 HG13 VAL A 76 2.384 -0.932 -0.845 1.00 0.00 H new ATOM 0 HG21 VAL A 76 0.111 -2.373 0.664 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -0.103 -1.576 -0.912 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -0.541 -3.290 -0.715 1.00 0.00 H new ATOM 1207 N LEU A 77 3.791 -2.573 -3.375 1.00 0.00 N ATOM 1208 CA LEU A 77 5.184 -2.785 -3.748 1.00 0.00 C ATOM 1209 C LEU A 77 6.077 -1.868 -2.937 1.00 0.00 C ATOM 1210 O LEU A 77 6.267 -0.706 -3.284 1.00 0.00 O ATOM 1211 CB LEU A 77 5.399 -2.524 -5.238 1.00 0.00 C ATOM 1212 CG LEU A 77 4.695 -3.509 -6.174 1.00 0.00 C ATOM 1213 CD1 LEU A 77 4.997 -3.171 -7.626 1.00 0.00 C ATOM 1214 CD2 LEU A 77 5.113 -4.937 -5.858 1.00 0.00 C ATOM 0 H LEU A 77 3.404 -1.681 -3.683 1.00 0.00 H new ATOM 0 HA LEU A 77 5.439 -3.824 -3.540 1.00 0.00 H new ATOM 0 HB2 LEU A 77 5.054 -1.516 -5.469 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.469 -2.550 -5.446 1.00 0.00 H new ATOM 0 HG LEU A 77 3.619 -3.425 -6.018 1.00 0.00 H new ATOM 0 HD11 LEU A 77 4.489 -3.881 -8.278 1.00 0.00 H new ATOM 0 HD12 LEU A 77 4.647 -2.162 -7.845 1.00 0.00 H new ATOM 0 HD13 LEU A 77 6.072 -3.227 -7.797 1.00 0.00 H new ATOM 0 HD21 LEU A 77 4.602 -5.623 -6.533 1.00 0.00 H new ATOM 0 HD22 LEU A 77 6.191 -5.037 -5.985 1.00 0.00 H new ATOM 0 HD23 LEU A 77 4.846 -5.175 -4.828 1.00 0.00 H new ATOM 1226 N VAL A 78 6.631 -2.395 -1.862 1.00 0.00 N ATOM 1227 CA VAL A 78 7.486 -1.597 -1.000 1.00 0.00 C ATOM 1228 C VAL A 78 8.950 -1.750 -1.389 1.00 0.00 C ATOM 1229 O VAL A 78 9.567 -2.787 -1.144 1.00 0.00 O ATOM 1230 CB VAL A 78 7.298 -1.969 0.483 1.00 0.00 C ATOM 1231 CG1 VAL A 78 6.920 -0.736 1.300 1.00 0.00 C ATOM 1232 CG2 VAL A 78 6.249 -3.058 0.636 1.00 0.00 C ATOM 0 H VAL A 78 6.507 -3.363 -1.565 1.00 0.00 H new ATOM 0 HA VAL A 78 7.193 -0.556 -1.133 1.00 0.00 H new ATOM 0 HB VAL A 78 8.244 -2.355 0.862 1.00 0.00 H new ATOM 0 HG11 VAL A 78 6.791 -1.018 2.345 1.00 0.00 H new ATOM 0 HG12 VAL A 78 7.711 0.010 1.220 1.00 0.00 H new ATOM 0 HG13 VAL A 78 5.988 -0.319 0.919 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.132 -3.305 1.691 1.00 0.00 H new ATOM 0 HG22 VAL A 78 5.297 -2.705 0.239 1.00 0.00 H new ATOM 0 HG23 VAL A 78 6.564 -3.946 0.088 1.00 0.00 H new ATOM 1242 N LYS A 79 9.492 -0.707 -2.011 1.00 0.00 N ATOM 1243 CA LYS A 79 10.884 -0.705 -2.445 1.00 0.00 C ATOM 1244 C LYS A 79 11.728 0.220 -1.571 1.00 0.00 C ATOM 1245 O LYS A 79 11.650 1.441 -1.699 1.00 0.00 O ATOM 1246 CB LYS A 79 10.980 -0.269 -3.907 1.00 0.00 C ATOM 1247 CG LYS A 79 10.767 -1.404 -4.893 1.00 0.00 C ATOM 1248 CD LYS A 79 10.894 -0.926 -6.333 1.00 0.00 C ATOM 1249 CE LYS A 79 9.783 0.044 -6.702 1.00 0.00 C ATOM 1250 NZ LYS A 79 9.902 0.516 -8.109 1.00 0.00 N ATOM 0 H LYS A 79 8.985 0.151 -2.226 1.00 0.00 H new ATOM 0 HA LYS A 79 11.271 -1.719 -2.346 1.00 0.00 H new ATOM 0 HB2 LYS A 79 10.240 0.509 -4.095 1.00 0.00 H new ATOM 0 HB3 LYS A 79 11.960 0.175 -4.082 1.00 0.00 H new ATOM 0 HG2 LYS A 79 11.496 -2.192 -4.705 1.00 0.00 H new ATOM 0 HG3 LYS A 79 9.780 -1.840 -4.739 1.00 0.00 H new ATOM 0 HD2 LYS A 79 11.861 -0.442 -6.472 1.00 0.00 H new ATOM 0 HD3 LYS A 79 10.867 -1.784 -7.005 1.00 0.00 H new ATOM 0 HE2 LYS A 79 8.817 -0.441 -6.562 1.00 0.00 H new ATOM 0 HE3 LYS A 79 9.810 0.900 -6.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 9.126 1.175 -8.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 10.813 1.001 -8.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 9.850 -0.298 -8.754 1.00 0.00 H new ATOM 1264 N PRO A 80 12.547 -0.350 -0.669 1.00 0.00 N ATOM 1265 CA PRO A 80 13.404 0.436 0.224 1.00 0.00 C ATOM 1266 C PRO A 80 14.273 1.435 -0.533 1.00 0.00 C ATOM 1267 O PRO A 80 15.323 1.081 -1.070 1.00 0.00 O ATOM 1268 CB PRO A 80 14.274 -0.616 0.915 1.00 0.00 C ATOM 1269 CG PRO A 80 13.505 -1.886 0.815 1.00 0.00 C ATOM 1270 CD PRO A 80 12.701 -1.800 -0.452 1.00 0.00 C ATOM 0 HA PRO A 80 12.817 1.039 0.917 1.00 0.00 H new ATOM 0 HB2 PRO A 80 15.245 -0.705 0.429 1.00 0.00 H new ATOM 0 HB3 PRO A 80 14.461 -0.350 1.955 1.00 0.00 H new ATOM 0 HG2 PRO A 80 14.176 -2.745 0.791 1.00 0.00 H new ATOM 0 HG3 PRO A 80 12.854 -2.014 1.680 1.00 0.00 H new ATOM 0 HD2 PRO A 80 13.215 -2.278 -1.286 1.00 0.00 H new ATOM 0 HD3 PRO A 80 11.735 -2.294 -0.348 1.00 0.00 H new ATOM 1278 N ARG A 81 13.822 2.684 -0.577 1.00 0.00 N ATOM 1279 CA ARG A 81 14.549 3.741 -1.267 1.00 0.00 C ATOM 1280 C ARG A 81 15.836 4.104 -0.533 1.00 0.00 C ATOM 1281 O ARG A 81 16.906 4.181 -1.138 1.00 0.00 O ATOM 1282 CB ARG A 81 13.665 4.979 -1.404 1.00 0.00 C ATOM 1283 CG ARG A 81 13.325 5.324 -2.840 1.00 0.00 C ATOM 1284 CD ARG A 81 12.393 6.521 -2.915 1.00 0.00 C ATOM 1285 NE ARG A 81 12.094 6.895 -4.294 1.00 0.00 N ATOM 1286 CZ ARG A 81 11.654 8.097 -4.654 1.00 0.00 C ATOM 1287 NH1 ARG A 81 11.472 9.042 -3.741 1.00 0.00 N ATOM 1288 NH2 ARG A 81 11.400 8.357 -5.929 1.00 0.00 N ATOM 0 H ARG A 81 12.952 2.989 -0.140 1.00 0.00 H new ATOM 0 HA ARG A 81 14.817 3.372 -2.257 1.00 0.00 H new ATOM 0 HB2 ARG A 81 12.741 4.819 -0.849 1.00 0.00 H new ATOM 0 HB3 ARG A 81 14.170 5.829 -0.944 1.00 0.00 H new ATOM 0 HG2 ARG A 81 14.241 5.538 -3.391 1.00 0.00 H new ATOM 0 HG3 ARG A 81 12.857 4.465 -3.321 1.00 0.00 H new ATOM 0 HD2 ARG A 81 11.465 6.291 -2.392 1.00 0.00 H new ATOM 0 HD3 ARG A 81 12.848 7.367 -2.400 1.00 0.00 H new ATOM 0 HE ARG A 81 12.230 6.194 -5.023 1.00 0.00 H new ATOM 0 HH11 ARG A 81 11.670 8.848 -2.759 1.00 0.00 H new ATOM 0 HH12 ARG A 81 11.134 9.963 -4.021 1.00 0.00 H new ATOM 0 HH21 ARG A 81 11.542 7.635 -6.635 1.00 0.00 H new ATOM 0 HH22 ARG A 81 11.062 9.279 -6.204 1.00 0.00 H new ATOM 1302 N LYS A 82 15.726 4.329 0.774 1.00 0.00 N ATOM 1303 CA LYS A 82 16.882 4.697 1.585 1.00 0.00 C ATOM 1304 C LYS A 82 17.312 3.544 2.487 1.00 0.00 C ATOM 1305 O LYS A 82 16.546 2.613 2.732 1.00 0.00 O ATOM 1306 CB LYS A 82 16.557 5.927 2.437 1.00 0.00 C ATOM 1307 CG LYS A 82 16.019 7.102 1.636 1.00 0.00 C ATOM 1308 CD LYS A 82 15.828 8.330 2.510 1.00 0.00 C ATOM 1309 CE LYS A 82 15.301 9.508 1.706 1.00 0.00 C ATOM 1310 NZ LYS A 82 16.239 9.902 0.619 1.00 0.00 N ATOM 0 H LYS A 82 14.850 4.263 1.292 1.00 0.00 H new ATOM 0 HA LYS A 82 17.706 4.930 0.910 1.00 0.00 H new ATOM 0 HB2 LYS A 82 15.824 5.650 3.195 1.00 0.00 H new ATOM 0 HB3 LYS A 82 17.458 6.241 2.965 1.00 0.00 H new ATOM 0 HG2 LYS A 82 16.707 7.336 0.824 1.00 0.00 H new ATOM 0 HG3 LYS A 82 15.068 6.828 1.179 1.00 0.00 H new ATOM 0 HD2 LYS A 82 15.133 8.099 3.317 1.00 0.00 H new ATOM 0 HD3 LYS A 82 16.777 8.600 2.973 1.00 0.00 H new ATOM 0 HE2 LYS A 82 14.334 9.250 1.275 1.00 0.00 H new ATOM 0 HE3 LYS A 82 15.138 10.357 2.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 15.971 10.837 0.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 17.208 9.943 0.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 16.195 9.202 -0.149 1.00 0.00 H new ATOM 1324 N ARG A 83 18.549 3.609 2.968 1.00 0.00 N ATOM 1325 CA ARG A 83 19.085 2.580 3.850 1.00 0.00 C ATOM 1326 C ARG A 83 18.985 3.014 5.310 1.00 0.00 C ATOM 1327 O ARG A 83 19.641 3.966 5.730 1.00 0.00 O ATOM 1328 CB ARG A 83 20.542 2.299 3.491 1.00 0.00 C ATOM 1329 CG ARG A 83 20.784 2.215 1.994 1.00 0.00 C ATOM 1330 CD ARG A 83 22.255 2.362 1.660 1.00 0.00 C ATOM 1331 NE ARG A 83 22.829 3.578 2.229 1.00 0.00 N ATOM 1332 CZ ARG A 83 24.102 3.935 2.079 1.00 0.00 C ATOM 1333 NH1 ARG A 83 24.930 3.172 1.378 1.00 0.00 N ATOM 1334 NH2 ARG A 83 24.546 5.057 2.628 1.00 0.00 N ATOM 0 H ARG A 83 19.200 4.366 2.761 1.00 0.00 H new ATOM 0 HA ARG A 83 18.498 1.671 3.719 1.00 0.00 H new ATOM 0 HB2 ARG A 83 21.171 3.084 3.911 1.00 0.00 H new ATOM 0 HB3 ARG A 83 20.850 1.362 3.955 1.00 0.00 H new ATOM 0 HG2 ARG A 83 20.418 1.259 1.618 1.00 0.00 H new ATOM 0 HG3 ARG A 83 20.215 2.995 1.488 1.00 0.00 H new ATOM 0 HD2 ARG A 83 22.800 1.495 2.034 1.00 0.00 H new ATOM 0 HD3 ARG A 83 22.381 2.374 0.577 1.00 0.00 H new ATOM 0 HE ARG A 83 22.219 4.189 2.773 1.00 0.00 H new ATOM 0 HH11 ARG A 83 24.591 2.309 0.952 1.00 0.00 H new ATOM 0 HH12 ARG A 83 25.905 3.448 1.265 1.00 0.00 H new ATOM 0 HH21 ARG A 83 23.912 5.647 3.166 1.00 0.00 H new ATOM 0 HH22 ARG A 83 25.522 5.330 2.513 1.00 0.00 H new ATOM 1348 N GLY A 84 18.159 2.310 6.078 1.00 0.00 N ATOM 1349 CA GLY A 84 17.989 2.641 7.481 1.00 0.00 C ATOM 1350 C GLY A 84 16.780 1.965 8.096 1.00 0.00 C ATOM 1351 O GLY A 84 16.608 0.753 7.970 1.00 0.00 O ATOM 0 H GLY A 84 17.605 1.517 5.754 1.00 0.00 H new ATOM 0 HA2 GLY A 84 18.883 2.348 8.031 1.00 0.00 H new ATOM 0 HA3 GLY A 84 17.890 3.721 7.586 1.00 0.00 H new ATOM 1355 N HIS A 85 15.941 2.751 8.763 1.00 0.00 N ATOM 1356 CA HIS A 85 14.741 2.220 9.403 1.00 0.00 C ATOM 1357 C HIS A 85 13.488 2.612 8.627 1.00 0.00 C ATOM 1358 O HIS A 85 12.985 3.727 8.761 1.00 0.00 O ATOM 1359 CB HIS A 85 14.638 2.723 10.844 1.00 0.00 C ATOM 1360 CG HIS A 85 15.804 2.334 11.699 1.00 0.00 C ATOM 1361 ND1 HIS A 85 16.868 3.175 11.948 1.00 0.00 N ATOM 1362 CD2 HIS A 85 16.069 1.187 12.368 1.00 0.00 C ATOM 1363 CE1 HIS A 85 17.737 2.561 12.732 1.00 0.00 C ATOM 1364 NE2 HIS A 85 17.276 1.354 13.001 1.00 0.00 N ATOM 0 H HIS A 85 16.069 3.757 8.875 1.00 0.00 H new ATOM 0 HA HIS A 85 14.818 1.133 9.409 1.00 0.00 H new ATOM 0 HB2 HIS A 85 14.551 3.809 10.835 1.00 0.00 H new ATOM 0 HB3 HIS A 85 13.724 2.333 11.292 1.00 0.00 H new ATOM 0 HD2 HIS A 85 15.447 0.305 12.398 1.00 0.00 H new ATOM 0 HE1 HIS A 85 18.667 2.977 13.092 1.00 0.00 H new ATOM 0 HE2 HIS A 85 17.741 0.658 13.584 1.00 0.00 H new ATOM 1373 N HIS A 86 12.993 1.687 7.811 1.00 0.00 N ATOM 1374 CA HIS A 86 11.796 1.927 7.013 1.00 0.00 C ATOM 1375 C HIS A 86 10.636 1.074 7.513 1.00 0.00 C ATOM 1376 O HIS A 86 10.843 0.099 8.237 1.00 0.00 O ATOM 1377 CB HIS A 86 12.070 1.625 5.539 1.00 0.00 C ATOM 1378 CG HIS A 86 13.084 2.533 4.918 1.00 0.00 C ATOM 1379 ND1 HIS A 86 13.996 3.260 5.653 1.00 0.00 N ATOM 1380 CD2 HIS A 86 13.323 2.835 3.619 1.00 0.00 C ATOM 1381 CE1 HIS A 86 14.750 3.972 4.835 1.00 0.00 C ATOM 1382 NE2 HIS A 86 14.362 3.731 3.596 1.00 0.00 N ATOM 0 H HIS A 86 13.404 0.762 7.685 1.00 0.00 H new ATOM 0 HA HIS A 86 11.524 2.978 7.114 1.00 0.00 H new ATOM 0 HB2 HIS A 86 12.413 0.594 5.446 1.00 0.00 H new ATOM 0 HB3 HIS A 86 11.136 1.702 4.982 1.00 0.00 H new ATOM 0 HD1 HIS A 86 14.076 3.250 6.670 1.00 0.00 H new ATOM 0 HD2 HIS A 86 12.795 2.444 2.762 1.00 0.00 H new ATOM 0 HE1 HIS A 86 15.548 4.638 5.129 1.00 0.00 H new ATOM 1391 N THR A 87 9.416 1.439 7.125 1.00 0.00 N ATOM 1392 CA THR A 87 8.236 0.697 7.553 1.00 0.00 C ATOM 1393 C THR A 87 7.039 0.947 6.639 1.00 0.00 C ATOM 1394 O THR A 87 6.887 2.030 6.074 1.00 0.00 O ATOM 1395 CB THR A 87 7.841 1.068 8.994 1.00 0.00 C ATOM 1396 OG1 THR A 87 8.902 0.734 9.897 1.00 0.00 O ATOM 1397 CG2 THR A 87 6.571 0.344 9.407 1.00 0.00 C ATOM 0 H THR A 87 9.221 2.237 6.520 1.00 0.00 H new ATOM 0 HA THR A 87 8.503 -0.359 7.502 1.00 0.00 H new ATOM 0 HB THR A 87 7.659 2.142 9.032 1.00 0.00 H new ATOM 0 HG1 THR A 87 8.747 -0.160 10.267 1.00 0.00 H new ATOM 0 HG21 THR A 87 6.310 0.621 10.429 1.00 0.00 H new ATOM 0 HG22 THR A 87 5.758 0.624 8.737 1.00 0.00 H new ATOM 0 HG23 THR A 87 6.732 -0.733 9.353 1.00 0.00 H new ATOM 1405 N LEU A 88 6.188 -0.068 6.512 1.00 0.00 N ATOM 1406 CA LEU A 88 4.991 0.022 5.689 1.00 0.00 C ATOM 1407 C LEU A 88 3.759 -0.244 6.542 1.00 0.00 C ATOM 1408 O LEU A 88 3.209 -1.345 6.539 1.00 0.00 O ATOM 1409 CB LEU A 88 5.053 -0.978 4.535 1.00 0.00 C ATOM 1410 CG LEU A 88 3.764 -1.102 3.720 1.00 0.00 C ATOM 1411 CD1 LEU A 88 3.566 0.128 2.856 1.00 0.00 C ATOM 1412 CD2 LEU A 88 3.788 -2.359 2.868 1.00 0.00 C ATOM 0 H LEU A 88 6.310 -0.969 6.974 1.00 0.00 H new ATOM 0 HA LEU A 88 4.931 1.027 5.271 1.00 0.00 H new ATOM 0 HB2 LEU A 88 5.863 -0.688 3.865 1.00 0.00 H new ATOM 0 HB3 LEU A 88 5.307 -1.959 4.937 1.00 0.00 H new ATOM 0 HG LEU A 88 2.924 -1.177 4.411 1.00 0.00 H new ATOM 0 HD11 LEU A 88 2.645 0.025 2.282 1.00 0.00 H new ATOM 0 HD12 LEU A 88 3.501 1.012 3.491 1.00 0.00 H new ATOM 0 HD13 LEU A 88 4.409 0.233 2.173 1.00 0.00 H new ATOM 0 HD21 LEU A 88 2.863 -2.429 2.296 1.00 0.00 H new ATOM 0 HD22 LEU A 88 4.635 -2.318 2.184 1.00 0.00 H new ATOM 0 HD23 LEU A 88 3.883 -3.233 3.512 1.00 0.00 H new ATOM 1424 N GLU A 89 3.336 0.766 7.280 1.00 0.00 N ATOM 1425 CA GLU A 89 2.177 0.638 8.150 1.00 0.00 C ATOM 1426 C GLU A 89 0.885 0.699 7.355 1.00 0.00 C ATOM 1427 O GLU A 89 0.424 1.774 6.970 1.00 0.00 O ATOM 1428 CB GLU A 89 2.186 1.725 9.221 1.00 0.00 C ATOM 1429 CG GLU A 89 3.046 2.913 8.847 1.00 0.00 C ATOM 1430 CD GLU A 89 2.877 4.085 9.796 1.00 0.00 C ATOM 1431 OE1 GLU A 89 3.439 4.031 10.910 1.00 0.00 O ATOM 1432 OE2 GLU A 89 2.189 5.057 9.423 1.00 0.00 O ATOM 0 H GLU A 89 3.777 1.686 7.296 1.00 0.00 H new ATOM 0 HA GLU A 89 2.233 -0.336 8.636 1.00 0.00 H new ATOM 0 HB2 GLU A 89 1.165 2.063 9.397 1.00 0.00 H new ATOM 0 HB3 GLU A 89 2.548 1.302 10.158 1.00 0.00 H new ATOM 0 HG2 GLU A 89 4.093 2.609 8.836 1.00 0.00 H new ATOM 0 HG3 GLU A 89 2.796 3.232 7.835 1.00 0.00 H new ATOM 1439 N LEU A 90 0.317 -0.467 7.100 1.00 0.00 N ATOM 1440 CA LEU A 90 -0.934 -0.566 6.364 1.00 0.00 C ATOM 1441 C LEU A 90 -2.099 -0.731 7.331 1.00 0.00 C ATOM 1442 O LEU A 90 -1.990 -1.440 8.334 1.00 0.00 O ATOM 1443 CB LEU A 90 -0.895 -1.738 5.380 1.00 0.00 C ATOM 1444 CG LEU A 90 0.100 -1.588 4.226 1.00 0.00 C ATOM 1445 CD1 LEU A 90 0.019 -2.787 3.294 1.00 0.00 C ATOM 1446 CD2 LEU A 90 -0.156 -0.298 3.460 1.00 0.00 C ATOM 0 H LEU A 90 0.704 -1.364 7.393 1.00 0.00 H new ATOM 0 HA LEU A 90 -1.071 0.354 5.796 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -0.653 -2.647 5.931 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -1.893 -1.875 4.963 1.00 0.00 H new ATOM 0 HG LEU A 90 1.106 -1.543 4.644 1.00 0.00 H new ATOM 0 HD11 LEU A 90 0.733 -2.664 2.480 1.00 0.00 H new ATOM 0 HD12 LEU A 90 0.254 -3.695 3.848 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -0.989 -2.862 2.885 1.00 0.00 H new ATOM 0 HD21 LEU A 90 0.562 -0.211 2.644 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -1.167 -0.311 3.054 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -0.046 0.553 4.133 1.00 0.00 H new ATOM 1458 N VAL A 91 -3.211 -0.076 7.024 1.00 0.00 N ATOM 1459 CA VAL A 91 -4.390 -0.143 7.874 1.00 0.00 C ATOM 1460 C VAL A 91 -5.675 -0.209 7.056 1.00 0.00 C ATOM 1461 O VAL A 91 -5.683 0.074 5.853 1.00 0.00 O ATOM 1462 CB VAL A 91 -4.486 1.088 8.797 1.00 0.00 C ATOM 1463 CG1 VAL A 91 -3.958 0.764 10.186 1.00 0.00 C ATOM 1464 CG2 VAL A 91 -3.762 2.283 8.184 1.00 0.00 C ATOM 0 H VAL A 91 -3.320 0.507 6.194 1.00 0.00 H new ATOM 0 HA VAL A 91 -4.283 -1.052 8.466 1.00 0.00 H new ATOM 0 HB VAL A 91 -5.537 1.359 8.901 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.036 1.647 10.820 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -4.545 -0.046 10.619 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -2.914 0.458 10.116 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -3.843 3.140 8.853 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -2.711 2.035 8.037 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.214 2.529 7.223 1.00 0.00 H new ATOM 1474 N TYR A 92 -6.757 -0.592 7.727 1.00 0.00 N ATOM 1475 CA TYR A 92 -8.073 -0.662 7.107 1.00 0.00 C ATOM 1476 C TYR A 92 -8.839 0.603 7.479 1.00 0.00 C ATOM 1477 O TYR A 92 -9.600 0.621 8.443 1.00 0.00 O ATOM 1478 CB TYR A 92 -8.819 -1.913 7.590 1.00 0.00 C ATOM 1479 CG TYR A 92 -9.788 -2.506 6.586 1.00 0.00 C ATOM 1480 CD1 TYR A 92 -9.572 -2.393 5.216 1.00 0.00 C ATOM 1481 CD2 TYR A 92 -10.918 -3.193 7.013 1.00 0.00 C ATOM 1482 CE1 TYR A 92 -10.454 -2.945 4.305 1.00 0.00 C ATOM 1483 CE2 TYR A 92 -11.803 -3.748 6.109 1.00 0.00 C ATOM 1484 CZ TYR A 92 -11.567 -3.621 4.756 1.00 0.00 C ATOM 1485 OH TYR A 92 -12.446 -4.173 3.853 1.00 0.00 O ATOM 0 H TYR A 92 -6.745 -0.861 8.711 1.00 0.00 H new ATOM 0 HA TYR A 92 -7.980 -0.731 6.023 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -8.086 -2.674 7.859 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -9.367 -1.663 8.498 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -8.701 -1.865 4.858 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -11.108 -3.295 8.071 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -10.271 -2.847 3.245 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -12.676 -4.279 6.460 1.00 0.00 H new ATOM 0 HH TYR A 92 -13.176 -4.615 4.335 1.00 0.00 H new ATOM 1495 N THR A 93 -8.605 1.664 6.714 1.00 0.00 N ATOM 1496 CA THR A 93 -9.215 2.968 6.975 1.00 0.00 C ATOM 1497 C THR A 93 -10.484 3.201 6.162 1.00 0.00 C ATOM 1498 O THR A 93 -10.951 2.316 5.459 1.00 0.00 O ATOM 1499 CB THR A 93 -8.208 4.084 6.654 1.00 0.00 C ATOM 1500 OG1 THR A 93 -8.796 5.370 6.880 1.00 0.00 O ATOM 1501 CG2 THR A 93 -7.741 3.978 5.210 1.00 0.00 C ATOM 0 H THR A 93 -7.991 1.648 5.900 1.00 0.00 H new ATOM 0 HA THR A 93 -9.490 2.982 8.030 1.00 0.00 H new ATOM 0 HB THR A 93 -7.348 3.968 7.314 1.00 0.00 H new ATOM 0 HG1 THR A 93 -8.191 6.068 6.554 1.00 0.00 H new ATOM 0 HG21 THR A 93 -7.028 4.775 4.999 1.00 0.00 H new ATOM 0 HG22 THR A 93 -7.262 3.012 5.053 1.00 0.00 H new ATOM 0 HG23 THR A 93 -8.598 4.071 4.543 1.00 0.00 H new ATOM 1509 N ARG A 94 -11.042 4.405 6.284 1.00 0.00 N ATOM 1510 CA ARG A 94 -12.247 4.781 5.554 1.00 0.00 C ATOM 1511 C ARG A 94 -11.955 5.953 4.616 1.00 0.00 C ATOM 1512 O ARG A 94 -11.878 7.099 5.059 1.00 0.00 O ATOM 1513 CB ARG A 94 -13.367 5.166 6.523 1.00 0.00 C ATOM 1514 CG ARG A 94 -13.677 4.095 7.554 1.00 0.00 C ATOM 1515 CD ARG A 94 -14.807 4.520 8.479 1.00 0.00 C ATOM 1516 NE ARG A 94 -16.056 4.736 7.754 1.00 0.00 N ATOM 1517 CZ ARG A 94 -17.242 4.847 8.345 1.00 0.00 C ATOM 1518 NH1 ARG A 94 -17.340 4.762 9.665 1.00 0.00 N ATOM 1519 NH2 ARG A 94 -18.332 5.042 7.614 1.00 0.00 N ATOM 0 H ARG A 94 -10.673 5.140 6.887 1.00 0.00 H new ATOM 0 HA ARG A 94 -12.570 3.922 4.966 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -13.089 6.085 7.039 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -14.271 5.381 5.953 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -13.949 3.169 7.047 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -12.784 3.886 8.142 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -14.958 3.756 9.242 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -14.526 5.437 8.998 1.00 0.00 H new ATOM 0 HE ARG A 94 -16.016 4.806 6.737 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -16.504 4.611 10.230 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -18.251 4.848 10.115 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -18.260 5.107 6.599 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -19.242 5.127 8.067 1.00 0.00 H new ATOM 1533 N PRO A 95 -11.774 5.679 3.309 1.00 0.00 N ATOM 1534 CA PRO A 95 -11.483 6.710 2.309 1.00 0.00 C ATOM 1535 C PRO A 95 -12.277 7.998 2.517 1.00 0.00 C ATOM 1536 O PRO A 95 -11.776 9.092 2.260 1.00 0.00 O ATOM 1537 CB PRO A 95 -11.899 6.037 1.004 1.00 0.00 C ATOM 1538 CG PRO A 95 -11.636 4.587 1.227 1.00 0.00 C ATOM 1539 CD PRO A 95 -11.830 4.333 2.702 1.00 0.00 C ATOM 0 HA PRO A 95 -10.441 7.027 2.347 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -12.950 6.219 0.782 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -11.324 6.419 0.160 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -12.317 3.975 0.636 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -10.624 4.325 0.919 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -12.784 3.845 2.901 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -11.051 3.683 3.101 1.00 0.00 H new ATOM 1547 N PHE A 96 -13.515 7.865 2.985 1.00 0.00 N ATOM 1548 CA PHE A 96 -14.374 9.013 3.213 1.00 0.00 C ATOM 1549 C PHE A 96 -14.199 9.587 4.619 1.00 0.00 C ATOM 1550 O PHE A 96 -14.059 10.799 4.786 1.00 0.00 O ATOM 1551 CB PHE A 96 -15.832 8.618 2.987 1.00 0.00 C ATOM 1552 CG PHE A 96 -16.086 7.139 3.056 1.00 0.00 C ATOM 1553 CD1 PHE A 96 -16.279 6.511 4.276 1.00 0.00 C ATOM 1554 CD2 PHE A 96 -16.132 6.376 1.899 1.00 0.00 C ATOM 1555 CE1 PHE A 96 -16.513 5.152 4.341 1.00 0.00 C ATOM 1556 CE2 PHE A 96 -16.365 5.016 1.959 1.00 0.00 C ATOM 1557 CZ PHE A 96 -16.556 4.403 3.181 1.00 0.00 C ATOM 0 H PHE A 96 -13.943 6.968 3.213 1.00 0.00 H new ATOM 0 HA PHE A 96 -14.088 9.790 2.504 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -16.452 9.117 3.732 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -16.149 8.985 2.011 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -16.246 7.091 5.186 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -15.984 6.851 0.940 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -16.662 4.675 5.298 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -16.398 4.433 1.051 1.00 0.00 H new ATOM 0 HZ PHE A 96 -16.739 3.340 3.230 1.00 0.00 H new ATOM 1567 N GLU A 97 -14.207 8.718 5.626 1.00 0.00 N ATOM 1568 CA GLU A 97 -14.063 9.159 7.012 1.00 0.00 C ATOM 1569 C GLU A 97 -12.598 9.340 7.400 1.00 0.00 C ATOM 1570 O GLU A 97 -12.048 10.437 7.298 1.00 0.00 O ATOM 1571 CB GLU A 97 -14.734 8.163 7.963 1.00 0.00 C ATOM 1572 CG GLU A 97 -16.237 8.054 7.771 1.00 0.00 C ATOM 1573 CD GLU A 97 -16.953 9.370 8.010 1.00 0.00 C ATOM 1574 OE1 GLU A 97 -17.345 9.631 9.167 1.00 0.00 O ATOM 1575 OE2 GLU A 97 -17.121 10.138 7.039 1.00 0.00 O ATOM 0 H GLU A 97 -14.311 7.710 5.511 1.00 0.00 H new ATOM 0 HA GLU A 97 -14.555 10.128 7.097 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -14.286 7.180 7.820 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -14.528 8.461 8.991 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -16.446 7.710 6.758 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -16.633 7.300 8.452 1.00 0.00 H new ATOM 1582 N GLY A 98 -11.970 8.256 7.846 1.00 0.00 N ATOM 1583 CA GLY A 98 -10.581 8.312 8.261 1.00 0.00 C ATOM 1584 C GLY A 98 -10.121 7.022 8.890 1.00 0.00 C ATOM 1585 O GLY A 98 -10.853 6.033 8.912 1.00 0.00 O ATOM 0 H GLY A 98 -12.402 7.335 7.927 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -9.955 8.537 7.398 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -10.449 9.128 8.972 1.00 0.00 H new ATOM 1589 N ILE A 99 -8.904 7.036 9.404 1.00 0.00 N ATOM 1590 CA ILE A 99 -8.328 5.862 10.027 1.00 0.00 C ATOM 1591 C ILE A 99 -8.568 5.869 11.532 1.00 0.00 C ATOM 1592 O ILE A 99 -8.730 6.928 12.138 1.00 0.00 O ATOM 1593 CB ILE A 99 -6.821 5.781 9.755 1.00 0.00 C ATOM 1594 CG1 ILE A 99 -6.485 6.392 8.391 1.00 0.00 C ATOM 1595 CG2 ILE A 99 -6.361 4.333 9.823 1.00 0.00 C ATOM 1596 CD1 ILE A 99 -5.084 6.948 8.310 1.00 0.00 C ATOM 0 H ILE A 99 -8.294 7.853 9.401 1.00 0.00 H new ATOM 0 HA ILE A 99 -8.817 4.990 9.592 1.00 0.00 H new ATOM 0 HB ILE A 99 -6.294 6.353 10.519 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -6.611 5.632 7.620 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -7.197 7.188 8.173 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -5.290 4.282 9.629 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -6.570 3.931 10.814 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -6.894 3.747 9.074 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -4.915 7.364 7.317 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -4.959 7.731 9.058 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -4.365 6.151 8.496 1.00 0.00 H new ATOM 1608 N LYS A 100 -8.586 4.682 12.128 1.00 0.00 N ATOM 1609 CA LYS A 100 -8.816 4.549 13.559 1.00 0.00 C ATOM 1610 C LYS A 100 -8.013 3.389 14.140 1.00 0.00 C ATOM 1611 O LYS A 100 -7.479 2.560 13.404 1.00 0.00 O ATOM 1612 CB LYS A 100 -10.306 4.334 13.824 1.00 0.00 C ATOM 1613 CG LYS A 100 -11.173 5.504 13.393 1.00 0.00 C ATOM 1614 CD LYS A 100 -12.651 5.156 13.457 1.00 0.00 C ATOM 1615 CE LYS A 100 -13.351 5.478 12.148 1.00 0.00 C ATOM 1616 NZ LYS A 100 -13.283 6.930 11.822 1.00 0.00 N ATOM 0 H LYS A 100 -8.444 3.798 11.640 1.00 0.00 H new ATOM 0 HA LYS A 100 -8.487 5.467 14.046 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -10.634 3.436 13.300 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -10.455 4.154 14.889 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -10.972 6.362 14.034 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -10.911 5.797 12.376 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -12.768 4.096 13.683 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -13.122 5.709 14.269 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -12.895 4.904 11.342 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -14.394 5.168 12.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -13.972 7.151 11.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -13.503 7.487 12.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -12.326 7.167 11.491 1.00 0.00 H new ATOM 1630 N PRO A 101 -7.912 3.327 15.476 1.00 0.00 N ATOM 1631 CA PRO A 101 -7.181 2.262 16.170 1.00 0.00 C ATOM 1632 C PRO A 101 -7.751 0.884 15.855 1.00 0.00 C ATOM 1633 O PRO A 101 -7.010 -0.062 15.589 1.00 0.00 O ATOM 1634 CB PRO A 101 -7.383 2.591 17.653 1.00 0.00 C ATOM 1635 CG PRO A 101 -7.750 4.036 17.683 1.00 0.00 C ATOM 1636 CD PRO A 101 -8.501 4.293 16.412 1.00 0.00 C ATOM 0 HA PRO A 101 -6.134 2.224 15.870 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -8.169 1.975 18.090 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -6.475 2.403 18.226 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -8.365 4.265 18.554 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -6.861 4.664 17.746 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -9.572 4.132 16.537 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -8.371 5.319 16.067 1.00 0.00 H new ATOM 1644 N GLU A 102 -9.076 0.785 15.890 1.00 0.00 N ATOM 1645 CA GLU A 102 -9.762 -0.471 15.611 1.00 0.00 C ATOM 1646 C GLU A 102 -9.460 -0.966 14.200 1.00 0.00 C ATOM 1647 O GLU A 102 -9.514 -2.167 13.933 1.00 0.00 O ATOM 1648 CB GLU A 102 -11.267 -0.300 15.790 1.00 0.00 C ATOM 1649 CG GLU A 102 -11.819 0.871 15.012 1.00 0.00 C ATOM 1650 CD GLU A 102 -13.313 1.051 15.199 1.00 0.00 C ATOM 1651 OE1 GLU A 102 -13.711 1.781 16.131 1.00 0.00 O ATOM 1652 OE2 GLU A 102 -14.084 0.463 14.412 1.00 0.00 O ATOM 0 H GLU A 102 -9.698 1.563 16.110 1.00 0.00 H new ATOM 0 HA GLU A 102 -9.397 -1.216 16.318 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -11.772 -1.212 15.472 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -11.489 -0.165 16.848 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -11.307 1.781 15.323 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -11.605 0.731 13.953 1.00 0.00 H new ATOM 1659 N ASN A 103 -9.146 -0.036 13.301 1.00 0.00 N ATOM 1660 CA ASN A 103 -8.833 -0.385 11.916 1.00 0.00 C ATOM 1661 C ASN A 103 -7.805 -1.507 11.852 1.00 0.00 C ATOM 1662 O ASN A 103 -6.814 -1.493 12.582 1.00 0.00 O ATOM 1663 CB ASN A 103 -8.306 0.837 11.162 1.00 0.00 C ATOM 1664 CG ASN A 103 -9.361 1.912 10.967 1.00 0.00 C ATOM 1665 OD1 ASN A 103 -9.229 2.772 10.097 1.00 0.00 O ATOM 1666 ND2 ASN A 103 -10.423 1.866 11.765 1.00 0.00 N ATOM 0 H ASN A 103 -9.101 0.962 13.505 1.00 0.00 H new ATOM 0 HA ASN A 103 -9.754 -0.729 11.445 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -7.462 1.258 11.708 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -7.931 0.523 10.188 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -11.165 2.559 11.668 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -10.496 1.137 12.475 1.00 0.00 H new ATOM 1673 N GLU A 104 -8.053 -2.482 10.979 1.00 0.00 N ATOM 1674 CA GLU A 104 -7.148 -3.606 10.813 1.00 0.00 C ATOM 1675 C GLU A 104 -5.721 -3.111 10.638 1.00 0.00 C ATOM 1676 O GLU A 104 -5.494 -2.001 10.155 1.00 0.00 O ATOM 1677 CB GLU A 104 -7.568 -4.447 9.610 1.00 0.00 C ATOM 1678 CG GLU A 104 -7.163 -5.904 9.718 1.00 0.00 C ATOM 1679 CD GLU A 104 -7.949 -6.802 8.783 1.00 0.00 C ATOM 1680 OE1 GLU A 104 -9.153 -7.014 9.036 1.00 0.00 O ATOM 1681 OE2 GLU A 104 -7.361 -7.294 7.796 1.00 0.00 O ATOM 0 H GLU A 104 -8.876 -2.511 10.377 1.00 0.00 H new ATOM 0 HA GLU A 104 -7.194 -4.228 11.707 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -8.650 -4.387 9.495 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -7.127 -4.022 8.708 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -6.100 -5.998 9.497 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -7.306 -6.241 10.745 1.00 0.00 H new ATOM 1688 N ARG A 105 -4.764 -3.936 11.029 1.00 0.00 N ATOM 1689 CA ARG A 105 -3.360 -3.561 10.934 1.00 0.00 C ATOM 1690 C ARG A 105 -2.593 -4.483 9.996 1.00 0.00 C ATOM 1691 O ARG A 105 -3.033 -5.592 9.692 1.00 0.00 O ATOM 1692 CB ARG A 105 -2.714 -3.591 12.324 1.00 0.00 C ATOM 1693 CG ARG A 105 -1.352 -2.916 12.383 1.00 0.00 C ATOM 1694 CD ARG A 105 -1.456 -1.531 12.993 1.00 0.00 C ATOM 1695 NE ARG A 105 -1.920 -1.578 14.376 1.00 0.00 N ATOM 1696 CZ ARG A 105 -1.954 -0.520 15.181 1.00 0.00 C ATOM 1697 NH1 ARG A 105 -1.548 0.664 14.742 1.00 0.00 N ATOM 1698 NH2 ARG A 105 -2.393 -0.645 16.426 1.00 0.00 N ATOM 0 H ARG A 105 -4.931 -4.866 11.414 1.00 0.00 H new ATOM 0 HA ARG A 105 -3.315 -2.551 10.527 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -3.381 -3.104 13.035 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -2.609 -4.628 12.643 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -0.666 -3.525 12.971 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -0.934 -2.844 11.379 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -0.482 -1.043 12.953 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -2.141 -0.924 12.401 1.00 0.00 H new ATOM 0 HE ARG A 105 -2.236 -2.474 14.746 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -1.209 0.764 13.785 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -1.575 1.474 15.361 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -2.705 -1.554 16.768 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -2.418 0.168 17.042 1.00 0.00 H new ATOM 1712 N TYR A 106 -1.460 -3.984 9.518 1.00 0.00 N ATOM 1713 CA TYR A 106 -0.564 -4.729 8.646 1.00 0.00 C ATOM 1714 C TYR A 106 0.676 -3.885 8.392 1.00 0.00 C ATOM 1715 O TYR A 106 0.958 -3.474 7.267 1.00 0.00 O ATOM 1716 CB TYR A 106 -1.253 -5.113 7.335 1.00 0.00 C ATOM 1717 CG TYR A 106 -0.482 -6.119 6.517 1.00 0.00 C ATOM 1718 CD1 TYR A 106 0.452 -5.718 5.574 1.00 0.00 C ATOM 1719 CD2 TYR A 106 -0.694 -7.478 6.694 1.00 0.00 C ATOM 1720 CE1 TYR A 106 1.154 -6.643 4.828 1.00 0.00 C ATOM 1721 CE2 TYR A 106 0.002 -8.409 5.955 1.00 0.00 C ATOM 1722 CZ TYR A 106 0.926 -7.989 5.023 1.00 0.00 C ATOM 1723 OH TYR A 106 1.623 -8.917 4.282 1.00 0.00 O ATOM 0 H TYR A 106 -1.135 -3.040 9.728 1.00 0.00 H new ATOM 0 HA TYR A 106 -0.277 -5.662 9.132 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -2.239 -5.519 7.559 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -1.406 -4.214 6.738 1.00 0.00 H new ATOM 0 HD1 TYR A 106 0.633 -4.664 5.421 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -1.417 -7.812 7.424 1.00 0.00 H new ATOM 0 HE1 TYR A 106 1.877 -6.315 4.096 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -0.176 -9.464 6.105 1.00 0.00 H new ATOM 0 HH TYR A 106 1.345 -9.820 4.543 1.00 0.00 H new ATOM 1733 N THR A 107 1.399 -3.614 9.473 1.00 0.00 N ATOM 1734 CA THR A 107 2.600 -2.797 9.417 1.00 0.00 C ATOM 1735 C THR A 107 3.823 -3.618 9.027 1.00 0.00 C ATOM 1736 O THR A 107 4.430 -4.289 9.864 1.00 0.00 O ATOM 1737 CB THR A 107 2.855 -2.117 10.773 1.00 0.00 C ATOM 1738 OG1 THR A 107 1.640 -1.540 11.267 1.00 0.00 O ATOM 1739 CG2 THR A 107 3.912 -1.036 10.649 1.00 0.00 C ATOM 0 H THR A 107 1.169 -3.954 10.407 1.00 0.00 H new ATOM 0 HA THR A 107 2.436 -2.038 8.652 1.00 0.00 H new ATOM 0 HB THR A 107 3.212 -2.875 11.470 1.00 0.00 H new ATOM 0 HG1 THR A 107 1.290 -2.091 11.998 1.00 0.00 H new ATOM 0 HG21 THR A 107 4.073 -0.571 11.622 1.00 0.00 H new ATOM 0 HG22 THR A 107 4.845 -1.478 10.299 1.00 0.00 H new ATOM 0 HG23 THR A 107 3.579 -0.281 9.937 1.00 0.00 H new ATOM 1747 N LEU A 108 4.176 -3.563 7.748 1.00 0.00 N ATOM 1748 CA LEU A 108 5.331 -4.288 7.238 1.00 0.00 C ATOM 1749 C LEU A 108 6.621 -3.532 7.535 1.00 0.00 C ATOM 1750 O LEU A 108 7.044 -2.674 6.761 1.00 0.00 O ATOM 1751 CB LEU A 108 5.189 -4.515 5.729 1.00 0.00 C ATOM 1752 CG LEU A 108 6.467 -4.956 5.006 1.00 0.00 C ATOM 1753 CD1 LEU A 108 7.025 -6.228 5.623 1.00 0.00 C ATOM 1754 CD2 LEU A 108 6.197 -5.156 3.524 1.00 0.00 C ATOM 0 H LEU A 108 3.676 -3.021 7.043 1.00 0.00 H new ATOM 0 HA LEU A 108 5.376 -5.254 7.740 1.00 0.00 H new ATOM 0 HB2 LEU A 108 4.420 -5.269 5.563 1.00 0.00 H new ATOM 0 HB3 LEU A 108 4.834 -3.591 5.272 1.00 0.00 H new ATOM 0 HG LEU A 108 7.212 -4.168 5.119 1.00 0.00 H new ATOM 0 HD11 LEU A 108 7.931 -6.522 5.094 1.00 0.00 H new ATOM 0 HD12 LEU A 108 7.259 -6.051 6.673 1.00 0.00 H new ATOM 0 HD13 LEU A 108 6.285 -7.025 5.546 1.00 0.00 H new ATOM 0 HD21 LEU A 108 7.115 -5.469 3.026 1.00 0.00 H new ATOM 0 HD22 LEU A 108 5.434 -5.923 3.394 1.00 0.00 H new ATOM 0 HD23 LEU A 108 5.849 -4.220 3.088 1.00 0.00 H new ATOM 1766 N HIS A 109 7.239 -3.853 8.664 1.00 0.00 N ATOM 1767 CA HIS A 109 8.486 -3.211 9.055 1.00 0.00 C ATOM 1768 C HIS A 109 9.655 -3.827 8.305 1.00 0.00 C ATOM 1769 O HIS A 109 9.716 -5.041 8.114 1.00 0.00 O ATOM 1770 CB HIS A 109 8.703 -3.330 10.555 1.00 0.00 C ATOM 1771 CG HIS A 109 7.987 -2.290 11.351 1.00 0.00 C ATOM 1772 ND1 HIS A 109 8.607 -1.165 11.854 1.00 0.00 N ATOM 1773 CD2 HIS A 109 6.694 -2.208 11.734 1.00 0.00 C ATOM 1774 CE1 HIS A 109 7.724 -0.436 12.513 1.00 0.00 C ATOM 1775 NE2 HIS A 109 6.555 -1.047 12.453 1.00 0.00 N ATOM 0 H HIS A 109 6.898 -4.552 9.323 1.00 0.00 H new ATOM 0 HA HIS A 109 8.422 -2.154 8.798 1.00 0.00 H new ATOM 0 HB2 HIS A 109 8.374 -4.316 10.883 1.00 0.00 H new ATOM 0 HB3 HIS A 109 9.771 -3.264 10.765 1.00 0.00 H new ATOM 0 HD1 HIS A 109 9.593 -0.932 11.736 1.00 0.00 H new ATOM 0 HD2 HIS A 109 5.915 -2.923 11.515 1.00 0.00 H new ATOM 0 HE1 HIS A 109 7.924 0.499 13.015 1.00 0.00 H new ATOM 1784 N LEU A 110 10.590 -2.980 7.907 1.00 0.00 N ATOM 1785 CA LEU A 110 11.751 -3.415 7.147 1.00 0.00 C ATOM 1786 C LEU A 110 12.998 -2.630 7.531 1.00 0.00 C ATOM 1787 O LEU A 110 13.193 -1.502 7.078 1.00 0.00 O ATOM 1788 CB LEU A 110 11.493 -3.236 5.650 1.00 0.00 C ATOM 1789 CG LEU A 110 10.322 -4.034 5.075 1.00 0.00 C ATOM 1790 CD1 LEU A 110 10.085 -3.644 3.624 1.00 0.00 C ATOM 1791 CD2 LEU A 110 10.578 -5.529 5.192 1.00 0.00 C ATOM 0 H LEU A 110 10.567 -1.979 8.100 1.00 0.00 H new ATOM 0 HA LEU A 110 11.918 -4.467 7.377 1.00 0.00 H new ATOM 0 HB2 LEU A 110 11.317 -2.178 5.455 1.00 0.00 H new ATOM 0 HB3 LEU A 110 12.398 -3.514 5.109 1.00 0.00 H new ATOM 0 HG LEU A 110 9.427 -3.799 5.651 1.00 0.00 H new ATOM 0 HD11 LEU A 110 9.249 -4.218 3.225 1.00 0.00 H new ATOM 0 HD12 LEU A 110 9.855 -2.580 3.566 1.00 0.00 H new ATOM 0 HD13 LEU A 110 10.981 -3.854 3.040 1.00 0.00 H new ATOM 0 HD21 LEU A 110 9.732 -6.077 4.777 1.00 0.00 H new ATOM 0 HD22 LEU A 110 11.483 -5.787 4.642 1.00 0.00 H new ATOM 0 HD23 LEU A 110 10.703 -5.796 6.241 1.00 0.00 H new ATOM 1803 N ASN A 111 13.835 -3.223 8.372 1.00 0.00 N ATOM 1804 CA ASN A 111 15.077 -2.583 8.780 1.00 0.00 C ATOM 1805 C ASN A 111 16.066 -2.619 7.621 1.00 0.00 C ATOM 1806 O ASN A 111 16.982 -3.440 7.594 1.00 0.00 O ATOM 1807 CB ASN A 111 15.667 -3.282 10.007 1.00 0.00 C ATOM 1808 CG ASN A 111 16.922 -2.600 10.517 1.00 0.00 C ATOM 1809 OD1 ASN A 111 16.855 -1.688 11.341 1.00 0.00 O ATOM 1810 ND2 ASN A 111 18.076 -3.042 10.031 1.00 0.00 N ATOM 0 H ASN A 111 13.677 -4.143 8.783 1.00 0.00 H new ATOM 0 HA ASN A 111 14.873 -1.547 9.049 1.00 0.00 H new ATOM 0 HB2 ASN A 111 14.921 -3.305 10.802 1.00 0.00 H new ATOM 0 HB3 ASN A 111 15.897 -4.317 9.756 1.00 0.00 H new ATOM 0 HD21 ASN A 111 18.953 -2.623 10.340 1.00 0.00 H new ATOM 0 HD22 ASN A 111 18.085 -3.801 9.349 1.00 0.00 H new ATOM 1817 N VAL A 112 15.855 -1.730 6.657 1.00 0.00 N ATOM 1818 CA VAL A 112 16.700 -1.658 5.472 1.00 0.00 C ATOM 1819 C VAL A 112 18.177 -1.580 5.845 1.00 0.00 C ATOM 1820 O VAL A 112 18.605 -0.658 6.537 1.00 0.00 O ATOM 1821 CB VAL A 112 16.336 -0.439 4.601 1.00 0.00 C ATOM 1822 CG1 VAL A 112 16.969 -0.555 3.222 1.00 0.00 C ATOM 1823 CG2 VAL A 112 14.827 -0.291 4.489 1.00 0.00 C ATOM 0 H VAL A 112 15.100 -1.044 6.674 1.00 0.00 H new ATOM 0 HA VAL A 112 16.524 -2.571 4.904 1.00 0.00 H new ATOM 0 HB VAL A 112 16.732 0.455 5.083 1.00 0.00 H new ATOM 0 HG11 VAL A 112 16.700 0.315 2.624 1.00 0.00 H new ATOM 0 HG12 VAL A 112 18.053 -0.605 3.322 1.00 0.00 H new ATOM 0 HG13 VAL A 112 16.608 -1.459 2.731 1.00 0.00 H new ATOM 0 HG21 VAL A 112 14.591 0.575 3.870 1.00 0.00 H new ATOM 0 HG22 VAL A 112 14.406 -1.188 4.034 1.00 0.00 H new ATOM 0 HG23 VAL A 112 14.400 -0.154 5.483 1.00 0.00 H new ATOM 1833 N LYS A 113 18.949 -2.557 5.379 1.00 0.00 N ATOM 1834 CA LYS A 113 20.379 -2.603 5.662 1.00 0.00 C ATOM 1835 C LYS A 113 21.124 -1.528 4.876 1.00 0.00 C ATOM 1836 O LYS A 113 21.303 -0.418 5.419 1.00 0.00 O ATOM 1837 CB LYS A 113 20.940 -3.984 5.319 1.00 0.00 C ATOM 1838 CG LYS A 113 20.301 -5.118 6.108 1.00 0.00 C ATOM 1839 CD LYS A 113 20.580 -4.997 7.600 1.00 0.00 C ATOM 1840 CE LYS A 113 22.059 -5.173 7.911 1.00 0.00 C ATOM 1841 NZ LYS A 113 22.563 -6.505 7.479 1.00 0.00 N ATOM 1842 OXT LYS A 113 21.522 -1.805 3.725 1.00 0.00 O ATOM 0 H LYS A 113 18.608 -3.327 4.804 1.00 0.00 H new ATOM 0 HA LYS A 113 20.522 -2.413 6.726 1.00 0.00 H new ATOM 0 HB2 LYS A 113 20.799 -4.169 4.254 1.00 0.00 H new ATOM 0 HB3 LYS A 113 22.014 -3.986 5.503 1.00 0.00 H new ATOM 0 HG2 LYS A 113 19.224 -5.117 5.938 1.00 0.00 H new ATOM 0 HG3 LYS A 113 20.680 -6.073 5.744 1.00 0.00 H new ATOM 0 HD2 LYS A 113 20.247 -4.022 7.955 1.00 0.00 H new ATOM 0 HD3 LYS A 113 20.003 -5.747 8.140 1.00 0.00 H new ATOM 0 HE2 LYS A 113 22.630 -4.390 7.413 1.00 0.00 H new ATOM 0 HE3 LYS A 113 22.221 -5.054 8.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 23.484 -6.689 7.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 21.887 -7.242 7.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 22.670 -6.517 6.445 1.00 0.00 H new TER 1856 LYS A 113