USER MOD reduce.3.24.130724 H: found=0, std=0, add=1210, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1202 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 71 GLN : amide:sc= -0.632 K(o=0.067,f=-0.46) USER MOD Set 1.2: B 82 THR OG1 : rot -90:sc= 0.698 USER MOD Set 2.1: B 55 LYS NZ :NH3+ -123:sc= -0.142 (180deg=0) USER MOD Set 2.2: B 79 MET CE :methyl -162:sc= -0.0658 (180deg=0) USER MOD Set 3.1: B 37 ASN : amide:sc= -0.0056 X(o=-0.0056,f=0.018) USER MOD Set 3.2: B 41 SER OG : rot 180:sc= 0 USER MOD Set 4.1: B 7 MET CE :methyl -138:sc= -4.52! (180deg=-4.77!) USER MOD Set 4.2: B 74 MET CE :methyl -140:sc= -7.53! (180deg=-8.76!) USER MOD Set 5.1: A 82 THR OG1 : rot -91:sc= 0.799 USER MOD Set 5.2: B 71 GLN : amide:sc= -0.78 K(o=0.019,f=-0.99) USER MOD Set 6.1: A 7 MET CE :methyl -135:sc= -4.55! (180deg=-4.68!) USER MOD Set 6.2: A 74 MET CE :methyl -138:sc= -7.47! (180deg=-9.06!) USER MOD Set 7.1: A 55 LYS NZ :NH3+ -123:sc= -0.159 (180deg=0) USER MOD Set 7.2: A 79 MET CE :methyl -162:sc= -0.0773 (180deg=0) USER MOD Set 8.1: A 37 ASN : amide:sc=-0.00587 X(o=-0.0059,f=0.017) USER MOD Set 8.2: A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 1 SER N :NH3+ -126:sc= 0.114 (180deg=-0.385) USER MOD Single : A 1 SER OG : rot -130:sc= -0.201 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc= -0.301 X(o=-0.3,f=-0.096) USER MOD Single : A 16 GLN : amide:sc= -1.35 K(o=-1.4,f=-3!) USER MOD Single : A 17 TYR OH : rot 27:sc= 0.0723 USER MOD Single : A 18 SER OG : rot 8:sc= 0.522 USER MOD Single : A 25 HIS : no HD1:sc= -3.7! C(o=-3.7!,f=-1.9!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -142:sc= -0.31 (180deg=-1.17) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 ASN : amide:sc= -1.53! K(o=-1.5!,f=-0.13) USER MOD Single : A 42 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 57 MET CE :methyl -155:sc= -1.28! (180deg=-2.93!) USER MOD Single : A 59 THR OG1 : rot 84:sc= 0.265 USER MOD Single : A 68 CYS SG : rot 150:sc= -1.73 USER MOD Single : A 78 SER OG : rot -46:sc= 0.333 USER MOD Single : A 81 THR OG1 : rot 115:sc= -1.66! USER MOD Single : B 1 SER N :NH3+ -137:sc= 0.097 (180deg=-0.375) USER MOD Single : B 1 SER OG : rot -133:sc= -0.191 USER MOD Single : B 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 HIS : no HD1:sc= -0.219 X(o=-0.22,f=-0.07) USER MOD Single : B 16 GLN : amide:sc= -1.35 K(o=-1.3,f=-3.1!) USER MOD Single : B 17 TYR OH : rot 27:sc= 0.302 USER MOD Single : B 18 SER OG : rot 14:sc= 0.522 USER MOD Single : B 25 HIS : no HD1:sc= -3.8! C(o=-3.8!,f=-2.2!) USER MOD Single : B 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 29 LYS NZ :NH3+ -142:sc= -0.296 (180deg=-1.21) USER MOD Single : B 30 SER OG : rot 180:sc= 0 USER MOD Single : B 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 38 ASN : amide:sc= -1.49 K(o=-1.5,f=-0.12) USER MOD Single : B 42 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 50 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : B 57 MET CE :methyl -153:sc= -1.37 (180deg=-2.94!) USER MOD Single : B 59 THR OG1 : rot 84:sc= 0.255 USER MOD Single : B 68 CYS SG : rot 150:sc= -1.73 USER MOD Single : B 78 SER OG : rot -46:sc= 0.304 USER MOD Single : B 81 THR OG1 : rot 114:sc= -1.88! USER MOD ----------------------------------------------------------------- ATOM 20 N SER A 1 8.955 3.647 -13.330 1.00 0.00 N ATOM 21 CA SER A 1 9.457 2.280 -13.017 1.00 0.00 C ATOM 22 C SER A 1 8.280 1.379 -12.646 1.00 0.00 C ATOM 23 O SER A 1 7.140 1.668 -12.955 1.00 0.00 O ATOM 24 CB SER A 1 10.434 2.350 -11.844 1.00 0.00 C ATOM 25 OG SER A 1 9.754 2.837 -10.694 1.00 0.00 O ATOM 0 H1 SER A 1 9.294 3.934 -14.270 1.00 0.00 H new ATOM 0 H2 SER A 1 7.915 3.645 -13.322 1.00 0.00 H new ATOM 0 H3 SER A 1 9.305 4.317 -12.616 1.00 0.00 H new ATOM 0 HA SER A 1 9.967 1.872 -13.890 1.00 0.00 H new ATOM 0 HB2 SER A 1 10.851 1.363 -11.643 1.00 0.00 H new ATOM 0 HB3 SER A 1 11.270 3.005 -12.091 1.00 0.00 H new ATOM 0 HG SER A 1 10.270 3.568 -10.294 1.00 0.00 H new ATOM 31 N GLU A 2 8.547 0.285 -11.988 1.00 0.00 N ATOM 32 CA GLU A 2 7.443 -0.636 -11.600 1.00 0.00 C ATOM 33 C GLU A 2 6.708 -0.076 -10.381 1.00 0.00 C ATOM 34 O GLU A 2 5.560 0.309 -10.462 1.00 0.00 O ATOM 35 CB GLU A 2 8.026 -2.012 -11.261 1.00 0.00 C ATOM 36 CG GLU A 2 7.224 -3.096 -11.984 1.00 0.00 C ATOM 37 CD GLU A 2 7.669 -3.174 -13.445 1.00 0.00 C ATOM 38 OE1 GLU A 2 8.848 -3.385 -13.675 1.00 0.00 O ATOM 39 OE2 GLU A 2 6.822 -3.019 -14.311 1.00 0.00 O ATOM 0 H GLU A 2 9.481 -0.010 -11.703 1.00 0.00 H new ATOM 0 HA GLU A 2 6.741 -0.731 -12.429 1.00 0.00 H new ATOM 0 HB2 GLU A 2 9.073 -2.059 -11.559 1.00 0.00 H new ATOM 0 HB3 GLU A 2 7.994 -2.178 -10.184 1.00 0.00 H new ATOM 0 HG2 GLU A 2 7.373 -4.059 -11.496 1.00 0.00 H new ATOM 0 HG3 GLU A 2 6.159 -2.872 -11.929 1.00 0.00 H new ATOM 46 N LEU A 3 7.362 -0.030 -9.254 1.00 0.00 N ATOM 47 CA LEU A 3 6.703 0.504 -8.027 1.00 0.00 C ATOM 48 C LEU A 3 6.207 1.925 -8.281 1.00 0.00 C ATOM 49 O LEU A 3 5.045 2.235 -8.117 1.00 0.00 O ATOM 50 CB LEU A 3 7.721 0.536 -6.887 1.00 0.00 C ATOM 51 CG LEU A 3 7.033 0.980 -5.593 1.00 0.00 C ATOM 52 CD1 LEU A 3 6.253 -0.192 -4.998 1.00 0.00 C ATOM 53 CD2 LEU A 3 8.092 1.449 -4.591 1.00 0.00 C ATOM 0 H LEU A 3 8.326 -0.339 -9.128 1.00 0.00 H new ATOM 0 HA LEU A 3 5.860 -0.136 -7.765 1.00 0.00 H new ATOM 0 HB2 LEU A 3 8.164 -0.451 -6.754 1.00 0.00 H new ATOM 0 HB3 LEU A 3 8.534 1.220 -7.131 1.00 0.00 H new ATOM 0 HG LEU A 3 6.346 1.798 -5.809 1.00 0.00 H new ATOM 0 HD11 LEU A 3 5.764 0.126 -4.077 1.00 0.00 H new ATOM 0 HD12 LEU A 3 5.500 -0.528 -5.711 1.00 0.00 H new ATOM 0 HD13 LEU A 3 6.938 -1.012 -4.781 1.00 0.00 H new ATOM 0 HD21 LEU A 3 7.605 1.766 -3.669 1.00 0.00 H new ATOM 0 HD22 LEU A 3 8.778 0.630 -4.376 1.00 0.00 H new ATOM 0 HD23 LEU A 3 8.648 2.286 -5.014 1.00 0.00 H new ATOM 65 N GLU A 4 7.090 2.793 -8.666 1.00 0.00 N ATOM 66 CA GLU A 4 6.692 4.208 -8.917 1.00 0.00 C ATOM 67 C GLU A 4 5.376 4.253 -9.700 1.00 0.00 C ATOM 68 O GLU A 4 4.572 5.147 -9.524 1.00 0.00 O ATOM 69 CB GLU A 4 7.789 4.910 -9.721 1.00 0.00 C ATOM 70 CG GLU A 4 7.558 6.423 -9.689 1.00 0.00 C ATOM 71 CD GLU A 4 7.027 6.889 -11.046 1.00 0.00 C ATOM 72 OE1 GLU A 4 7.412 6.301 -12.044 1.00 0.00 O ATOM 73 OE2 GLU A 4 6.244 7.825 -11.064 1.00 0.00 O ATOM 0 H GLU A 4 8.077 2.588 -8.820 1.00 0.00 H new ATOM 0 HA GLU A 4 6.555 4.715 -7.962 1.00 0.00 H new ATOM 0 HB2 GLU A 4 8.768 4.672 -9.305 1.00 0.00 H new ATOM 0 HB3 GLU A 4 7.785 4.553 -10.751 1.00 0.00 H new ATOM 0 HG2 GLU A 4 6.847 6.676 -8.902 1.00 0.00 H new ATOM 0 HG3 GLU A 4 8.489 6.939 -9.455 1.00 0.00 H new ATOM 80 N LYS A 5 5.147 3.307 -10.565 1.00 0.00 N ATOM 81 CA LYS A 5 3.880 3.318 -11.354 1.00 0.00 C ATOM 82 C LYS A 5 2.732 2.746 -10.516 1.00 0.00 C ATOM 83 O LYS A 5 1.619 3.234 -10.560 1.00 0.00 O ATOM 84 CB LYS A 5 4.057 2.475 -12.619 1.00 0.00 C ATOM 85 CG LYS A 5 3.315 3.141 -13.780 1.00 0.00 C ATOM 86 CD LYS A 5 4.321 3.837 -14.698 1.00 0.00 C ATOM 87 CE LYS A 5 3.747 3.925 -16.113 1.00 0.00 C ATOM 88 NZ LYS A 5 3.130 5.267 -16.315 1.00 0.00 N ATOM 0 H LYS A 5 5.777 2.529 -10.761 1.00 0.00 H new ATOM 0 HA LYS A 5 3.643 4.346 -11.629 1.00 0.00 H new ATOM 0 HB2 LYS A 5 5.116 2.376 -12.858 1.00 0.00 H new ATOM 0 HB3 LYS A 5 3.672 1.469 -12.456 1.00 0.00 H new ATOM 0 HG2 LYS A 5 2.751 2.395 -14.340 1.00 0.00 H new ATOM 0 HG3 LYS A 5 2.595 3.864 -13.398 1.00 0.00 H new ATOM 0 HD2 LYS A 5 4.542 4.836 -14.321 1.00 0.00 H new ATOM 0 HD3 LYS A 5 5.261 3.285 -14.709 1.00 0.00 H new ATOM 0 HE2 LYS A 5 4.535 3.761 -16.848 1.00 0.00 H new ATOM 0 HE3 LYS A 5 3.002 3.144 -16.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 2.739 5.328 -17.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 2.367 5.406 -15.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 3.853 6.004 -16.187 1.00 0.00 H new ATOM 102 N ALA A 6 2.989 1.712 -9.765 1.00 0.00 N ATOM 103 CA ALA A 6 1.909 1.101 -8.938 1.00 0.00 C ATOM 104 C ALA A 6 1.698 1.923 -7.661 1.00 0.00 C ATOM 105 O ALA A 6 0.658 2.517 -7.457 1.00 0.00 O ATOM 106 CB ALA A 6 2.313 -0.326 -8.560 1.00 0.00 C ATOM 0 H ALA A 6 3.901 1.262 -9.687 1.00 0.00 H new ATOM 0 HA ALA A 6 0.982 1.086 -9.511 1.00 0.00 H new ATOM 0 HB1 ALA A 6 1.527 -0.778 -7.955 1.00 0.00 H new ATOM 0 HB2 ALA A 6 2.458 -0.915 -9.466 1.00 0.00 H new ATOM 0 HB3 ALA A 6 3.242 -0.302 -7.990 1.00 0.00 H new ATOM 112 N MET A 7 2.678 1.954 -6.801 1.00 0.00 N ATOM 113 CA MET A 7 2.544 2.725 -5.535 1.00 0.00 C ATOM 114 C MET A 7 1.951 4.102 -5.828 1.00 0.00 C ATOM 115 O MET A 7 0.984 4.521 -5.219 1.00 0.00 O ATOM 116 CB MET A 7 3.930 2.900 -4.908 1.00 0.00 C ATOM 117 CG MET A 7 3.815 3.769 -3.654 1.00 0.00 C ATOM 118 SD MET A 7 3.038 2.816 -2.327 1.00 0.00 S ATOM 119 CE MET A 7 1.372 3.502 -2.503 1.00 0.00 C ATOM 0 H MET A 7 3.571 1.475 -6.922 1.00 0.00 H new ATOM 0 HA MET A 7 1.888 2.187 -4.851 1.00 0.00 H new ATOM 0 HB2 MET A 7 4.351 1.928 -4.652 1.00 0.00 H new ATOM 0 HB3 MET A 7 4.609 3.363 -5.624 1.00 0.00 H new ATOM 0 HG2 MET A 7 4.803 4.108 -3.342 1.00 0.00 H new ATOM 0 HG3 MET A 7 3.225 4.660 -3.869 1.00 0.00 H new ATOM 0 HE1 MET A 7 0.973 3.745 -1.518 1.00 0.00 H new ATOM 0 HE2 MET A 7 1.413 4.406 -3.111 1.00 0.00 H new ATOM 0 HE3 MET A 7 0.726 2.769 -2.986 1.00 0.00 H new ATOM 129 N VAL A 8 2.530 4.812 -6.750 1.00 0.00 N ATOM 130 CA VAL A 8 2.013 6.169 -7.078 1.00 0.00 C ATOM 131 C VAL A 8 0.595 6.064 -7.646 1.00 0.00 C ATOM 132 O VAL A 8 -0.261 6.874 -7.351 1.00 0.00 O ATOM 133 CB VAL A 8 2.935 6.828 -8.103 1.00 0.00 C ATOM 134 CG1 VAL A 8 2.502 8.278 -8.316 1.00 0.00 C ATOM 135 CG2 VAL A 8 4.373 6.801 -7.581 1.00 0.00 C ATOM 0 H VAL A 8 3.340 4.513 -7.293 1.00 0.00 H new ATOM 0 HA VAL A 8 1.986 6.774 -6.172 1.00 0.00 H new ATOM 0 HB VAL A 8 2.878 6.287 -9.047 1.00 0.00 H new ATOM 0 HG11 VAL A 8 3.158 8.750 -9.047 1.00 0.00 H new ATOM 0 HG12 VAL A 8 1.475 8.301 -8.682 1.00 0.00 H new ATOM 0 HG13 VAL A 8 2.563 8.818 -7.371 1.00 0.00 H new ATOM 0 HG21 VAL A 8 5.034 7.270 -8.310 1.00 0.00 H new ATOM 0 HG22 VAL A 8 4.428 7.345 -6.638 1.00 0.00 H new ATOM 0 HG23 VAL A 8 4.683 5.768 -7.423 1.00 0.00 H new ATOM 145 N ALA A 9 0.336 5.073 -8.456 1.00 0.00 N ATOM 146 CA ALA A 9 -1.031 4.925 -9.032 1.00 0.00 C ATOM 147 C ALA A 9 -2.059 4.880 -7.901 1.00 0.00 C ATOM 148 O ALA A 9 -3.128 5.451 -7.999 1.00 0.00 O ATOM 149 CB ALA A 9 -1.104 3.629 -9.843 1.00 0.00 C ATOM 0 H ALA A 9 1.009 4.362 -8.743 1.00 0.00 H new ATOM 0 HA ALA A 9 -1.246 5.773 -9.683 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -2.103 3.520 -10.265 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -0.371 3.663 -10.649 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -0.890 2.781 -9.193 1.00 0.00 H new ATOM 155 N LEU A 10 -1.748 4.211 -6.824 1.00 0.00 N ATOM 156 CA LEU A 10 -2.715 4.142 -5.694 1.00 0.00 C ATOM 157 C LEU A 10 -3.034 5.559 -5.220 1.00 0.00 C ATOM 158 O LEU A 10 -4.181 5.927 -5.054 1.00 0.00 O ATOM 159 CB LEU A 10 -2.106 3.339 -4.542 1.00 0.00 C ATOM 160 CG LEU A 10 -3.125 2.311 -4.045 1.00 0.00 C ATOM 161 CD1 LEU A 10 -2.393 1.100 -3.465 1.00 0.00 C ATOM 162 CD2 LEU A 10 -4.001 2.945 -2.961 1.00 0.00 C ATOM 0 H LEU A 10 -0.870 3.712 -6.679 1.00 0.00 H new ATOM 0 HA LEU A 10 -3.630 3.652 -6.026 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -1.198 2.836 -4.875 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -1.821 4.007 -3.729 1.00 0.00 H new ATOM 0 HG LEU A 10 -3.750 1.990 -4.878 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.121 0.370 -3.112 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.770 0.648 -4.237 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -1.766 1.418 -2.633 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -4.727 2.214 -2.606 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -3.375 3.267 -2.129 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -4.526 3.806 -3.375 1.00 0.00 H new ATOM 174 N ILE A 11 -2.029 6.366 -5.011 1.00 0.00 N ATOM 175 CA ILE A 11 -2.285 7.763 -4.561 1.00 0.00 C ATOM 176 C ILE A 11 -3.304 8.403 -5.508 1.00 0.00 C ATOM 177 O ILE A 11 -4.095 9.240 -5.119 1.00 0.00 O ATOM 178 CB ILE A 11 -0.970 8.558 -4.591 1.00 0.00 C ATOM 179 CG1 ILE A 11 -0.165 8.259 -3.323 1.00 0.00 C ATOM 180 CG2 ILE A 11 -1.267 10.060 -4.653 1.00 0.00 C ATOM 181 CD1 ILE A 11 0.350 6.818 -3.364 1.00 0.00 C ATOM 0 H ILE A 11 -1.047 6.119 -5.132 1.00 0.00 H new ATOM 0 HA ILE A 11 -2.677 7.766 -3.544 1.00 0.00 H new ATOM 0 HB ILE A 11 -0.398 8.266 -5.472 1.00 0.00 H new ATOM 0 HG12 ILE A 11 0.672 8.952 -3.241 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -0.789 8.407 -2.442 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -0.330 10.616 -4.674 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -1.840 10.281 -5.554 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -1.843 10.353 -3.776 1.00 0.00 H new ATOM 0 HD11 ILE A 11 0.922 6.610 -2.460 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -0.494 6.131 -3.425 1.00 0.00 H new ATOM 0 HD13 ILE A 11 0.990 6.685 -4.237 1.00 0.00 H new ATOM 193 N ASP A 12 -3.288 8.009 -6.751 1.00 0.00 N ATOM 194 CA ASP A 12 -4.247 8.583 -7.735 1.00 0.00 C ATOM 195 C ASP A 12 -5.681 8.277 -7.296 1.00 0.00 C ATOM 196 O ASP A 12 -6.485 9.168 -7.098 1.00 0.00 O ATOM 197 CB ASP A 12 -3.991 7.958 -9.108 1.00 0.00 C ATOM 198 CG ASP A 12 -4.760 8.737 -10.177 1.00 0.00 C ATOM 199 OD1 ASP A 12 -4.761 9.955 -10.110 1.00 0.00 O ATOM 200 OD2 ASP A 12 -5.337 8.102 -11.045 1.00 0.00 O ATOM 0 H ASP A 12 -2.648 7.310 -7.129 1.00 0.00 H new ATOM 0 HA ASP A 12 -4.111 9.663 -7.790 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -2.924 7.970 -9.331 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -4.305 6.914 -9.108 1.00 0.00 H new ATOM 205 N VAL A 13 -6.005 7.024 -7.148 1.00 0.00 N ATOM 206 CA VAL A 13 -7.387 6.652 -6.728 1.00 0.00 C ATOM 207 C VAL A 13 -7.819 7.510 -5.539 1.00 0.00 C ATOM 208 O VAL A 13 -8.947 7.956 -5.460 1.00 0.00 O ATOM 209 CB VAL A 13 -7.418 5.178 -6.318 1.00 0.00 C ATOM 210 CG1 VAL A 13 -8.751 4.866 -5.638 1.00 0.00 C ATOM 211 CG2 VAL A 13 -7.269 4.296 -7.557 1.00 0.00 C ATOM 0 H VAL A 13 -5.372 6.238 -7.300 1.00 0.00 H new ATOM 0 HA VAL A 13 -8.068 6.819 -7.563 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.597 4.980 -5.628 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -8.773 3.816 -5.346 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -8.863 5.492 -4.752 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -9.569 5.068 -6.330 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -7.291 3.247 -7.262 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -8.089 4.496 -8.247 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -6.320 4.515 -8.047 1.00 0.00 H new ATOM 221 N PHE A 14 -6.939 7.736 -4.606 1.00 0.00 N ATOM 222 CA PHE A 14 -7.312 8.552 -3.415 1.00 0.00 C ATOM 223 C PHE A 14 -7.719 9.964 -3.850 1.00 0.00 C ATOM 224 O PHE A 14 -8.788 10.439 -3.523 1.00 0.00 O ATOM 225 CB PHE A 14 -6.119 8.637 -2.464 1.00 0.00 C ATOM 226 CG PHE A 14 -6.559 9.279 -1.172 1.00 0.00 C ATOM 227 CD1 PHE A 14 -6.795 10.659 -1.124 1.00 0.00 C ATOM 228 CD2 PHE A 14 -6.732 8.497 -0.024 1.00 0.00 C ATOM 229 CE1 PHE A 14 -7.204 11.256 0.075 1.00 0.00 C ATOM 230 CE2 PHE A 14 -7.141 9.096 1.175 1.00 0.00 C ATOM 231 CZ PHE A 14 -7.377 10.476 1.224 1.00 0.00 C ATOM 0 H PHE A 14 -5.979 7.392 -4.615 1.00 0.00 H new ATOM 0 HA PHE A 14 -8.154 8.079 -2.909 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -5.720 7.641 -2.272 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -5.317 9.219 -2.918 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -6.662 11.262 -2.010 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -6.550 7.433 -0.062 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -7.386 12.320 0.113 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -7.274 8.494 2.061 1.00 0.00 H new ATOM 0 HZ PHE A 14 -7.692 10.938 2.148 1.00 0.00 H new ATOM 241 N HIS A 15 -6.875 10.641 -4.578 1.00 0.00 N ATOM 242 CA HIS A 15 -7.216 12.024 -5.022 1.00 0.00 C ATOM 243 C HIS A 15 -8.344 11.975 -6.056 1.00 0.00 C ATOM 244 O HIS A 15 -8.843 12.994 -6.492 1.00 0.00 O ATOM 245 CB HIS A 15 -5.982 12.677 -5.646 1.00 0.00 C ATOM 246 CG HIS A 15 -6.142 14.171 -5.610 1.00 0.00 C ATOM 247 ND1 HIS A 15 -5.330 15.018 -6.348 1.00 0.00 N ATOM 248 CD2 HIS A 15 -7.014 14.986 -4.930 1.00 0.00 C ATOM 249 CE1 HIS A 15 -5.727 16.280 -6.097 1.00 0.00 C ATOM 250 NE2 HIS A 15 -6.752 16.317 -5.240 1.00 0.00 N ATOM 0 H HIS A 15 -5.965 10.298 -4.885 1.00 0.00 H new ATOM 0 HA HIS A 15 -7.543 12.607 -4.161 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -5.085 12.382 -5.101 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -5.857 12.337 -6.674 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -7.786 14.645 -4.256 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -5.272 17.156 -6.535 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -7.237 17.143 -4.889 1.00 0.00 H new ATOM 258 N GLN A 16 -8.750 10.802 -6.455 1.00 0.00 N ATOM 259 CA GLN A 16 -9.842 10.696 -7.462 1.00 0.00 C ATOM 260 C GLN A 16 -11.194 10.610 -6.750 1.00 0.00 C ATOM 261 O GLN A 16 -12.165 11.214 -7.162 1.00 0.00 O ATOM 262 CB GLN A 16 -9.632 9.437 -8.305 1.00 0.00 C ATOM 263 CG GLN A 16 -9.690 9.799 -9.790 1.00 0.00 C ATOM 264 CD GLN A 16 -8.311 10.273 -10.254 1.00 0.00 C ATOM 265 OE1 GLN A 16 -7.443 9.471 -10.540 1.00 0.00 O ATOM 266 NE2 GLN A 16 -8.072 11.552 -10.343 1.00 0.00 N ATOM 0 H GLN A 16 -8.373 9.913 -6.127 1.00 0.00 H new ATOM 0 HA GLN A 16 -9.828 11.576 -8.105 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -8.669 8.985 -8.068 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -10.398 8.698 -8.070 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -10.005 8.934 -10.374 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -10.430 10.582 -9.956 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -8.800 12.225 -10.103 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -7.157 11.880 -10.653 1.00 0.00 H new ATOM 275 N TYR A 17 -11.266 9.855 -5.689 1.00 0.00 N ATOM 276 CA TYR A 17 -12.556 9.718 -4.953 1.00 0.00 C ATOM 277 C TYR A 17 -12.793 10.951 -4.075 1.00 0.00 C ATOM 278 O TYR A 17 -13.817 11.600 -4.165 1.00 0.00 O ATOM 279 CB TYR A 17 -12.503 8.467 -4.071 1.00 0.00 C ATOM 280 CG TYR A 17 -12.767 7.242 -4.914 1.00 0.00 C ATOM 281 CD1 TYR A 17 -11.815 6.814 -5.848 1.00 0.00 C ATOM 282 CD2 TYR A 17 -13.965 6.532 -4.762 1.00 0.00 C ATOM 283 CE1 TYR A 17 -12.061 5.678 -6.629 1.00 0.00 C ATOM 284 CE2 TYR A 17 -14.209 5.397 -5.543 1.00 0.00 C ATOM 285 CZ TYR A 17 -13.257 4.969 -6.476 1.00 0.00 C ATOM 286 OH TYR A 17 -13.499 3.849 -7.247 1.00 0.00 O ATOM 0 H TYR A 17 -10.486 9.326 -5.299 1.00 0.00 H new ATOM 0 HA TYR A 17 -13.372 9.631 -5.671 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -11.527 8.388 -3.592 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -13.244 8.539 -3.275 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -10.891 7.360 -5.966 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -14.700 6.861 -4.042 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -11.327 5.349 -7.350 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -15.133 4.850 -5.426 1.00 0.00 H new ATOM 0 HH TYR A 17 -12.647 3.440 -7.507 1.00 0.00 H new ATOM 296 N SER A 18 -11.860 11.277 -3.221 1.00 0.00 N ATOM 297 CA SER A 18 -12.046 12.465 -2.337 1.00 0.00 C ATOM 298 C SER A 18 -11.562 13.728 -3.054 1.00 0.00 C ATOM 299 O SER A 18 -11.288 14.737 -2.434 1.00 0.00 O ATOM 300 CB SER A 18 -11.251 12.269 -1.046 1.00 0.00 C ATOM 301 OG SER A 18 -11.002 13.536 -0.450 1.00 0.00 O ATOM 0 H SER A 18 -10.981 10.775 -3.097 1.00 0.00 H new ATOM 0 HA SER A 18 -13.104 12.574 -2.099 1.00 0.00 H new ATOM 0 HB2 SER A 18 -11.806 11.633 -0.357 1.00 0.00 H new ATOM 0 HB3 SER A 18 -10.309 11.763 -1.259 1.00 0.00 H new ATOM 0 HG SER A 18 -11.504 14.228 -0.930 1.00 0.00 H new ATOM 394 N HIS A 25 -8.455 15.528 0.936 1.00 0.00 N ATOM 395 CA HIS A 25 -7.606 15.202 2.117 1.00 0.00 C ATOM 396 C HIS A 25 -8.381 14.309 3.101 1.00 0.00 C ATOM 397 O HIS A 25 -7.912 14.011 4.181 1.00 0.00 O ATOM 398 CB HIS A 25 -7.186 16.520 2.788 1.00 0.00 C ATOM 399 CG HIS A 25 -6.800 16.296 4.228 1.00 0.00 C ATOM 400 ND1 HIS A 25 -5.483 16.113 4.622 1.00 0.00 N ATOM 401 CD2 HIS A 25 -7.546 16.245 5.381 1.00 0.00 C ATOM 402 CE1 HIS A 25 -5.477 15.961 5.959 1.00 0.00 C ATOM 403 NE2 HIS A 25 -6.709 16.035 6.472 1.00 0.00 N ATOM 0 HA HIS A 25 -6.719 14.653 1.802 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -6.346 16.956 2.247 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -8.006 17.236 2.735 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -8.619 16.352 5.432 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -4.585 15.799 6.546 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -6.978 15.955 7.453 1.00 0.00 H new ATOM 411 N LYS A 26 -9.559 13.867 2.741 1.00 0.00 N ATOM 412 CA LYS A 26 -10.331 12.994 3.674 1.00 0.00 C ATOM 413 C LYS A 26 -11.225 12.039 2.878 1.00 0.00 C ATOM 414 O LYS A 26 -11.731 12.375 1.825 1.00 0.00 O ATOM 415 CB LYS A 26 -11.200 13.864 4.590 1.00 0.00 C ATOM 416 CG LYS A 26 -11.623 15.135 3.847 1.00 0.00 C ATOM 417 CD LYS A 26 -12.996 15.588 4.350 1.00 0.00 C ATOM 418 CE LYS A 26 -12.827 16.412 5.630 1.00 0.00 C ATOM 419 NZ LYS A 26 -14.002 17.314 5.799 1.00 0.00 N ATOM 0 H LYS A 26 -10.015 14.070 1.852 1.00 0.00 H new ATOM 0 HA LYS A 26 -9.634 12.412 4.277 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -12.081 13.307 4.908 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -10.646 14.126 5.492 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -10.887 15.924 4.006 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -11.661 14.946 2.774 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -13.497 16.183 3.586 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -13.628 14.721 4.544 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -12.736 15.751 6.492 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -11.909 16.998 5.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -13.888 17.874 6.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -14.069 17.953 4.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -14.870 16.745 5.865 1.00 0.00 H new ATOM 433 N LEU A 27 -11.430 10.850 3.382 1.00 0.00 N ATOM 434 CA LEU A 27 -12.300 9.869 2.671 1.00 0.00 C ATOM 435 C LEU A 27 -13.348 9.336 3.647 1.00 0.00 C ATOM 436 O LEU A 27 -13.703 9.989 4.608 1.00 0.00 O ATOM 437 CB LEU A 27 -11.453 8.703 2.149 1.00 0.00 C ATOM 438 CG LEU A 27 -11.972 8.272 0.776 1.00 0.00 C ATOM 439 CD1 LEU A 27 -11.378 9.174 -0.307 1.00 0.00 C ATOM 440 CD2 LEU A 27 -11.563 6.819 0.511 1.00 0.00 C ATOM 0 H LEU A 27 -11.030 10.516 4.259 1.00 0.00 H new ATOM 0 HA LEU A 27 -12.789 10.360 1.829 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -10.407 9.002 2.077 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -11.498 7.866 2.846 1.00 0.00 H new ATOM 0 HG LEU A 27 -13.059 8.356 0.758 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -11.750 8.864 -1.283 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -11.669 10.208 -0.120 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -10.291 9.094 -0.291 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -11.932 6.510 -0.467 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -10.476 6.737 0.531 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -11.990 6.175 1.280 1.00 0.00 H new ATOM 452 N LYS A 28 -13.845 8.155 3.411 1.00 0.00 N ATOM 453 CA LYS A 28 -14.868 7.585 4.331 1.00 0.00 C ATOM 454 C LYS A 28 -14.697 6.069 4.409 1.00 0.00 C ATOM 455 O LYS A 28 -14.088 5.456 3.554 1.00 0.00 O ATOM 456 CB LYS A 28 -16.264 7.914 3.803 1.00 0.00 C ATOM 457 CG LYS A 28 -16.873 9.043 4.636 1.00 0.00 C ATOM 458 CD LYS A 28 -17.887 9.814 3.787 1.00 0.00 C ATOM 459 CE LYS A 28 -19.300 9.327 4.115 1.00 0.00 C ATOM 460 NZ LYS A 28 -20.286 10.048 3.261 1.00 0.00 N ATOM 0 H LYS A 28 -13.588 7.561 2.623 1.00 0.00 H new ATOM 0 HA LYS A 28 -14.743 8.015 5.325 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -16.207 8.211 2.756 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -16.900 7.030 3.850 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -17.360 8.634 5.521 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -16.089 9.715 4.985 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -17.804 10.883 3.984 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -17.677 9.667 2.728 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -19.374 8.253 3.946 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -19.520 9.500 5.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -21.246 9.717 3.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -20.221 11.070 3.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -20.080 9.861 2.259 1.00 0.00 H new ATOM 474 N LYS A 29 -15.233 5.457 5.429 1.00 0.00 N ATOM 475 CA LYS A 29 -15.104 3.979 5.559 1.00 0.00 C ATOM 476 C LYS A 29 -16.077 3.306 4.594 1.00 0.00 C ATOM 477 O LYS A 29 -15.937 2.147 4.262 1.00 0.00 O ATOM 478 CB LYS A 29 -15.431 3.558 6.990 1.00 0.00 C ATOM 479 CG LYS A 29 -14.678 4.457 7.972 1.00 0.00 C ATOM 480 CD LYS A 29 -15.271 4.281 9.368 1.00 0.00 C ATOM 481 CE LYS A 29 -14.406 3.308 10.170 1.00 0.00 C ATOM 482 NZ LYS A 29 -13.314 4.060 10.849 1.00 0.00 N ATOM 0 H LYS A 29 -15.754 5.916 6.177 1.00 0.00 H new ATOM 0 HA LYS A 29 -14.083 3.679 5.322 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -16.504 3.630 7.165 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -15.151 2.516 7.147 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -13.618 4.201 7.979 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -14.753 5.499 7.661 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -15.322 5.243 9.877 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -16.291 3.904 9.297 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -15.015 2.785 10.907 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -13.984 2.550 9.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -12.441 3.496 10.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -13.154 4.961 10.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -13.584 4.249 11.835 1.00 0.00 H new ATOM 496 N SER A 30 -17.064 4.028 4.141 1.00 0.00 N ATOM 497 CA SER A 30 -18.044 3.435 3.186 1.00 0.00 C ATOM 498 C SER A 30 -17.443 3.454 1.779 1.00 0.00 C ATOM 499 O SER A 30 -17.496 2.478 1.056 1.00 0.00 O ATOM 500 CB SER A 30 -19.339 4.250 3.205 1.00 0.00 C ATOM 501 OG SER A 30 -20.031 4.060 1.977 1.00 0.00 O ATOM 0 H SER A 30 -17.235 5.002 4.390 1.00 0.00 H new ATOM 0 HA SER A 30 -18.266 2.408 3.477 1.00 0.00 H new ATOM 0 HB2 SER A 30 -19.966 3.939 4.041 1.00 0.00 H new ATOM 0 HB3 SER A 30 -19.115 5.307 3.350 1.00 0.00 H new ATOM 0 HG SER A 30 -20.862 4.579 1.986 1.00 0.00 H new ATOM 507 N GLU A 31 -16.855 4.553 1.390 1.00 0.00 N ATOM 508 CA GLU A 31 -16.234 4.628 0.041 1.00 0.00 C ATOM 509 C GLU A 31 -14.891 3.913 0.100 1.00 0.00 C ATOM 510 O GLU A 31 -14.361 3.484 -0.903 1.00 0.00 O ATOM 511 CB GLU A 31 -16.031 6.092 -0.355 1.00 0.00 C ATOM 512 CG GLU A 31 -15.861 6.190 -1.873 1.00 0.00 C ATOM 513 CD GLU A 31 -17.052 6.938 -2.477 1.00 0.00 C ATOM 514 OE1 GLU A 31 -17.442 7.946 -1.912 1.00 0.00 O ATOM 515 OE2 GLU A 31 -17.555 6.488 -3.495 1.00 0.00 O ATOM 0 H GLU A 31 -16.779 5.402 1.950 1.00 0.00 H new ATOM 0 HA GLU A 31 -16.879 4.157 -0.701 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -16.885 6.689 -0.035 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -15.153 6.497 0.147 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -14.933 6.710 -2.112 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -15.788 5.192 -2.306 1.00 0.00 H new ATOM 522 N LEU A 32 -14.345 3.762 1.279 1.00 0.00 N ATOM 523 CA LEU A 32 -13.051 3.042 1.413 1.00 0.00 C ATOM 524 C LEU A 32 -13.345 1.545 1.329 1.00 0.00 C ATOM 525 O LEU A 32 -12.675 0.804 0.635 1.00 0.00 O ATOM 526 CB LEU A 32 -12.410 3.374 2.765 1.00 0.00 C ATOM 527 CG LEU A 32 -11.331 2.337 3.104 1.00 0.00 C ATOM 528 CD1 LEU A 32 -10.471 2.052 1.869 1.00 0.00 C ATOM 529 CD2 LEU A 32 -10.442 2.880 4.226 1.00 0.00 C ATOM 0 H LEU A 32 -14.742 4.107 2.153 1.00 0.00 H new ATOM 0 HA LEU A 32 -12.361 3.341 0.624 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -11.970 4.371 2.733 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -13.172 3.386 3.545 1.00 0.00 H new ATOM 0 HG LEU A 32 -11.811 1.413 3.426 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -9.708 1.315 2.119 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -11.101 1.665 1.068 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -9.991 2.973 1.539 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -9.674 2.146 4.469 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -9.968 3.806 3.899 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -11.050 3.076 5.109 1.00 0.00 H new ATOM 541 N LYS A 33 -14.371 1.105 2.008 1.00 0.00 N ATOM 542 CA LYS A 33 -14.750 -0.333 1.952 1.00 0.00 C ATOM 543 C LYS A 33 -15.102 -0.660 0.514 1.00 0.00 C ATOM 544 O LYS A 33 -14.726 -1.676 -0.024 1.00 0.00 O ATOM 545 CB LYS A 33 -15.984 -0.570 2.820 1.00 0.00 C ATOM 546 CG LYS A 33 -16.227 -2.072 2.969 1.00 0.00 C ATOM 547 CD LYS A 33 -17.529 -2.444 2.256 1.00 0.00 C ATOM 548 CE LYS A 33 -17.712 -3.961 2.273 1.00 0.00 C ATOM 549 NZ LYS A 33 -18.661 -4.333 3.360 1.00 0.00 N ATOM 0 H LYS A 33 -14.965 1.685 2.601 1.00 0.00 H new ATOM 0 HA LYS A 33 -13.929 -0.955 2.310 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -15.844 -0.115 3.801 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -16.855 -0.094 2.369 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -15.393 -2.631 2.545 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -16.287 -2.340 4.024 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -18.374 -1.961 2.746 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -17.508 -2.082 1.228 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -18.092 -4.303 1.310 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -16.752 -4.452 2.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -18.787 -5.365 3.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -18.280 -4.019 4.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -19.579 -3.875 3.191 1.00 0.00 H new ATOM 563 N GLU A 34 -15.830 0.218 -0.101 1.00 0.00 N ATOM 564 CA GLU A 34 -16.234 0.016 -1.514 1.00 0.00 C ATOM 565 C GLU A 34 -14.997 0.126 -2.402 1.00 0.00 C ATOM 566 O GLU A 34 -14.874 -0.540 -3.411 1.00 0.00 O ATOM 567 CB GLU A 34 -17.240 1.109 -1.886 1.00 0.00 C ATOM 568 CG GLU A 34 -18.651 0.532 -1.875 1.00 0.00 C ATOM 569 CD GLU A 34 -19.267 0.657 -3.269 1.00 0.00 C ATOM 570 OE1 GLU A 34 -19.879 1.679 -3.535 1.00 0.00 O ATOM 571 OE2 GLU A 34 -19.115 -0.271 -4.047 1.00 0.00 O ATOM 0 H GLU A 34 -16.169 1.082 0.321 1.00 0.00 H new ATOM 0 HA GLU A 34 -16.687 -0.966 -1.650 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -17.170 1.937 -1.181 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -17.008 1.510 -2.873 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -18.625 -0.514 -1.571 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -19.265 1.061 -1.146 1.00 0.00 H new ATOM 578 N LEU A 35 -14.075 0.957 -2.018 1.00 0.00 N ATOM 579 CA LEU A 35 -12.828 1.121 -2.814 1.00 0.00 C ATOM 580 C LEU A 35 -12.127 -0.236 -2.918 1.00 0.00 C ATOM 581 O LEU A 35 -11.597 -0.597 -3.950 1.00 0.00 O ATOM 582 CB LEU A 35 -11.910 2.122 -2.102 1.00 0.00 C ATOM 583 CG LEU A 35 -11.287 3.074 -3.126 1.00 0.00 C ATOM 584 CD1 LEU A 35 -10.613 2.269 -4.239 1.00 0.00 C ATOM 585 CD2 LEU A 35 -12.380 3.963 -3.726 1.00 0.00 C ATOM 0 H LEU A 35 -14.130 1.536 -1.180 1.00 0.00 H new ATOM 0 HA LEU A 35 -13.063 1.490 -3.813 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -12.478 2.688 -1.364 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -11.126 1.590 -1.562 1.00 0.00 H new ATOM 0 HG LEU A 35 -10.541 3.696 -2.632 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -10.171 2.951 -4.965 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -9.833 1.639 -3.811 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -11.354 1.642 -4.735 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -11.938 4.641 -4.455 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -13.127 3.340 -4.217 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -12.854 4.542 -2.933 1.00 0.00 H new ATOM 597 N ILE A 36 -12.121 -0.989 -1.849 1.00 0.00 N ATOM 598 CA ILE A 36 -11.456 -2.323 -1.872 1.00 0.00 C ATOM 599 C ILE A 36 -12.378 -3.369 -2.505 1.00 0.00 C ATOM 600 O ILE A 36 -12.039 -4.001 -3.479 1.00 0.00 O ATOM 601 CB ILE A 36 -11.125 -2.762 -0.441 1.00 0.00 C ATOM 602 CG1 ILE A 36 -10.914 -1.526 0.447 1.00 0.00 C ATOM 603 CG2 ILE A 36 -9.854 -3.618 -0.458 1.00 0.00 C ATOM 604 CD1 ILE A 36 -10.135 -1.917 1.707 1.00 0.00 C ATOM 0 H ILE A 36 -12.550 -0.736 -0.959 1.00 0.00 H new ATOM 0 HA ILE A 36 -10.542 -2.241 -2.460 1.00 0.00 H new ATOM 0 HB ILE A 36 -11.951 -3.348 -0.038 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -10.370 -0.760 -0.105 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -11.877 -1.097 0.723 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -9.614 -3.933 0.557 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -10.016 -4.497 -1.082 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -9.027 -3.034 -0.862 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -9.989 -1.036 2.332 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -10.696 -2.668 2.263 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -9.165 -2.325 1.423 1.00 0.00 H new ATOM 616 N ASN A 37 -13.537 -3.568 -1.939 1.00 0.00 N ATOM 617 CA ASN A 37 -14.479 -4.595 -2.474 1.00 0.00 C ATOM 618 C ASN A 37 -14.897 -4.281 -3.917 1.00 0.00 C ATOM 619 O ASN A 37 -15.613 -5.044 -4.532 1.00 0.00 O ATOM 620 CB ASN A 37 -15.726 -4.636 -1.589 1.00 0.00 C ATOM 621 CG ASN A 37 -16.406 -5.998 -1.732 1.00 0.00 C ATOM 622 OD1 ASN A 37 -17.465 -6.103 -2.319 1.00 0.00 O ATOM 623 ND2 ASN A 37 -15.839 -7.055 -1.215 1.00 0.00 N ATOM 0 H ASN A 37 -13.875 -3.059 -1.122 1.00 0.00 H new ATOM 0 HA ASN A 37 -13.971 -5.559 -2.470 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -15.453 -4.461 -0.548 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -16.415 -3.841 -1.875 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -16.285 -7.968 -1.304 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -14.950 -6.967 -0.722 1.00 0.00 H new ATOM 630 N ASN A 38 -14.476 -3.177 -4.467 1.00 0.00 N ATOM 631 CA ASN A 38 -14.883 -2.856 -5.863 1.00 0.00 C ATOM 632 C ASN A 38 -13.672 -2.934 -6.797 1.00 0.00 C ATOM 633 O ASN A 38 -13.682 -3.647 -7.781 1.00 0.00 O ATOM 634 CB ASN A 38 -15.473 -1.446 -5.908 1.00 0.00 C ATOM 635 CG ASN A 38 -16.337 -1.296 -7.162 1.00 0.00 C ATOM 636 OD1 ASN A 38 -17.506 -0.974 -7.073 1.00 0.00 O ATOM 637 ND2 ASN A 38 -15.808 -1.516 -8.334 1.00 0.00 N ATOM 0 H ASN A 38 -13.873 -2.489 -4.016 1.00 0.00 H new ATOM 0 HA ASN A 38 -15.630 -3.578 -6.191 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -16.072 -1.262 -5.016 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -14.673 -0.705 -5.913 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -16.375 -1.418 -9.176 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -14.827 -1.786 -8.408 1.00 0.00 H new ATOM 644 N GLU A 39 -12.639 -2.193 -6.512 1.00 0.00 N ATOM 645 CA GLU A 39 -11.443 -2.213 -7.403 1.00 0.00 C ATOM 646 C GLU A 39 -10.357 -3.130 -6.828 1.00 0.00 C ATOM 647 O GLU A 39 -9.190 -2.984 -7.134 1.00 0.00 O ATOM 648 CB GLU A 39 -10.898 -0.790 -7.537 1.00 0.00 C ATOM 649 CG GLU A 39 -11.919 0.083 -8.272 1.00 0.00 C ATOM 650 CD GLU A 39 -12.503 1.116 -7.306 1.00 0.00 C ATOM 651 OE1 GLU A 39 -11.767 1.999 -6.900 1.00 0.00 O ATOM 652 OE2 GLU A 39 -13.676 1.008 -6.991 1.00 0.00 O ATOM 0 H GLU A 39 -12.569 -1.575 -5.703 1.00 0.00 H new ATOM 0 HA GLU A 39 -11.734 -2.595 -8.382 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -10.692 -0.374 -6.551 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -9.954 -0.801 -8.082 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -11.443 0.586 -9.114 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -12.716 -0.538 -8.681 1.00 0.00 H new ATOM 659 N LEU A 40 -10.720 -4.082 -6.010 1.00 0.00 N ATOM 660 CA LEU A 40 -9.689 -5.001 -5.442 1.00 0.00 C ATOM 661 C LEU A 40 -10.247 -6.426 -5.366 1.00 0.00 C ATOM 662 O LEU A 40 -9.631 -7.370 -5.821 1.00 0.00 O ATOM 663 CB LEU A 40 -9.290 -4.535 -4.040 1.00 0.00 C ATOM 664 CG LEU A 40 -8.098 -5.359 -3.556 1.00 0.00 C ATOM 665 CD1 LEU A 40 -6.958 -4.426 -3.146 1.00 0.00 C ATOM 666 CD2 LEU A 40 -8.523 -6.209 -2.357 1.00 0.00 C ATOM 0 H LEU A 40 -11.679 -4.263 -5.712 1.00 0.00 H new ATOM 0 HA LEU A 40 -8.812 -4.990 -6.089 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -9.033 -3.476 -4.055 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -10.129 -4.649 -3.353 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.756 -6.009 -4.361 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.110 -5.018 -2.801 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.656 -3.823 -4.002 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.295 -3.772 -2.342 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.674 -6.798 -2.010 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.866 -5.558 -1.553 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -9.332 -6.877 -2.653 1.00 0.00 H new ATOM 678 N SER A 41 -11.409 -6.588 -4.794 1.00 0.00 N ATOM 679 CA SER A 41 -12.012 -7.948 -4.683 1.00 0.00 C ATOM 680 C SER A 41 -11.913 -8.680 -6.026 1.00 0.00 C ATOM 681 O SER A 41 -11.964 -9.893 -6.081 1.00 0.00 O ATOM 682 CB SER A 41 -13.482 -7.812 -4.286 1.00 0.00 C ATOM 683 OG SER A 41 -13.759 -8.698 -3.209 1.00 0.00 O ATOM 0 H SER A 41 -11.969 -5.834 -4.397 1.00 0.00 H new ATOM 0 HA SER A 41 -11.473 -8.520 -3.928 1.00 0.00 H new ATOM 0 HB2 SER A 41 -13.698 -6.785 -3.992 1.00 0.00 H new ATOM 0 HB3 SER A 41 -14.124 -8.042 -5.136 1.00 0.00 H new ATOM 0 HG SER A 41 -14.700 -8.613 -2.950 1.00 0.00 H new ATOM 689 N HIS A 42 -11.782 -7.952 -7.105 1.00 0.00 N ATOM 690 CA HIS A 42 -11.686 -8.594 -8.451 1.00 0.00 C ATOM 691 C HIS A 42 -10.878 -9.893 -8.364 1.00 0.00 C ATOM 692 O HIS A 42 -11.128 -10.838 -9.087 1.00 0.00 O ATOM 693 CB HIS A 42 -11.000 -7.633 -9.422 1.00 0.00 C ATOM 694 CG HIS A 42 -11.861 -7.455 -10.643 1.00 0.00 C ATOM 695 ND1 HIS A 42 -12.957 -6.606 -10.656 1.00 0.00 N ATOM 696 CD2 HIS A 42 -11.801 -8.011 -11.898 1.00 0.00 C ATOM 697 CE1 HIS A 42 -13.508 -6.674 -11.882 1.00 0.00 C ATOM 698 NE2 HIS A 42 -12.842 -7.517 -12.678 1.00 0.00 N ATOM 0 H HIS A 42 -11.737 -6.933 -7.112 1.00 0.00 H new ATOM 0 HA HIS A 42 -12.690 -8.826 -8.806 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -10.831 -6.670 -8.939 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -10.023 -8.023 -9.707 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -11.059 -8.723 -12.229 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -14.381 -6.116 -12.186 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -13.052 -7.748 -13.649 1.00 0.00 H new ATOM 706 N PHE A 43 -9.915 -9.955 -7.485 1.00 0.00 N ATOM 707 CA PHE A 43 -9.107 -11.201 -7.359 1.00 0.00 C ATOM 708 C PHE A 43 -8.918 -11.541 -5.878 1.00 0.00 C ATOM 709 O PHE A 43 -8.313 -10.795 -5.135 1.00 0.00 O ATOM 710 CB PHE A 43 -7.741 -11.006 -8.037 1.00 0.00 C ATOM 711 CG PHE A 43 -6.804 -10.235 -7.134 1.00 0.00 C ATOM 712 CD1 PHE A 43 -6.880 -8.837 -7.068 1.00 0.00 C ATOM 713 CD2 PHE A 43 -5.850 -10.920 -6.369 1.00 0.00 C ATOM 714 CE1 PHE A 43 -6.002 -8.127 -6.240 1.00 0.00 C ATOM 715 CE2 PHE A 43 -4.975 -10.209 -5.540 1.00 0.00 C ATOM 716 CZ PHE A 43 -5.050 -8.813 -5.476 1.00 0.00 C ATOM 0 H PHE A 43 -9.654 -9.200 -6.851 1.00 0.00 H new ATOM 0 HA PHE A 43 -9.628 -12.023 -7.849 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -7.307 -11.976 -8.278 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -7.869 -10.472 -8.978 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -7.615 -8.308 -7.656 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -5.790 -11.997 -6.419 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -6.059 -7.050 -6.191 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -4.242 -10.738 -4.949 1.00 0.00 H new ATOM 0 HZ PHE A 43 -4.373 -8.265 -4.837 1.00 0.00 H new ATOM 726 N LEU A 44 -9.432 -12.664 -5.450 1.00 0.00 N ATOM 727 CA LEU A 44 -9.285 -13.061 -4.018 1.00 0.00 C ATOM 728 C LEU A 44 -10.118 -14.321 -3.752 1.00 0.00 C ATOM 729 O LEU A 44 -9.596 -15.418 -3.707 1.00 0.00 O ATOM 730 CB LEU A 44 -9.759 -11.915 -3.111 1.00 0.00 C ATOM 731 CG LEU A 44 -8.792 -11.755 -1.933 1.00 0.00 C ATOM 732 CD1 LEU A 44 -7.359 -11.606 -2.450 1.00 0.00 C ATOM 733 CD2 LEU A 44 -9.171 -10.504 -1.136 1.00 0.00 C ATOM 0 H LEU A 44 -9.948 -13.325 -6.031 1.00 0.00 H new ATOM 0 HA LEU A 44 -8.237 -13.271 -3.803 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -9.812 -10.986 -3.679 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -10.764 -12.121 -2.743 1.00 0.00 H new ATOM 0 HG LEU A 44 -8.855 -12.637 -1.295 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -6.678 -11.493 -1.607 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -7.084 -12.493 -3.022 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -7.293 -10.726 -3.090 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -8.486 -10.386 -0.297 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -9.108 -9.628 -1.782 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -10.189 -10.606 -0.761 1.00 0.00 H new ATOM 745 N GLU A 45 -11.407 -14.178 -3.579 1.00 0.00 N ATOM 746 CA GLU A 45 -12.266 -15.371 -3.323 1.00 0.00 C ATOM 747 C GLU A 45 -11.570 -16.317 -2.337 1.00 0.00 C ATOM 748 O GLU A 45 -11.812 -17.508 -2.336 1.00 0.00 O ATOM 749 CB GLU A 45 -12.515 -16.114 -4.638 1.00 0.00 C ATOM 750 CG GLU A 45 -13.569 -15.366 -5.458 1.00 0.00 C ATOM 751 CD GLU A 45 -14.579 -16.366 -6.023 1.00 0.00 C ATOM 752 OE1 GLU A 45 -14.187 -17.493 -6.279 1.00 0.00 O ATOM 753 OE2 GLU A 45 -15.728 -15.989 -6.189 1.00 0.00 O ATOM 0 H GLU A 45 -11.901 -13.286 -3.604 1.00 0.00 H new ATOM 0 HA GLU A 45 -13.214 -15.040 -2.899 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -11.587 -16.192 -5.205 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -12.852 -17.131 -4.435 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -14.078 -14.632 -4.833 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -13.092 -14.817 -6.270 1.00 0.00 H new ATOM 760 N GLU A 46 -10.710 -15.805 -1.502 1.00 0.00 N ATOM 761 CA GLU A 46 -10.008 -16.691 -0.528 1.00 0.00 C ATOM 762 C GLU A 46 -9.828 -15.960 0.804 1.00 0.00 C ATOM 763 O GLU A 46 -10.598 -16.135 1.728 1.00 0.00 O ATOM 764 CB GLU A 46 -8.637 -17.078 -1.088 1.00 0.00 C ATOM 765 CG GLU A 46 -8.803 -18.200 -2.114 1.00 0.00 C ATOM 766 CD GLU A 46 -7.827 -19.334 -1.793 1.00 0.00 C ATOM 767 OE1 GLU A 46 -8.124 -20.109 -0.899 1.00 0.00 O ATOM 768 OE2 GLU A 46 -6.798 -19.407 -2.445 1.00 0.00 O ATOM 0 H GLU A 46 -10.463 -14.817 -1.450 1.00 0.00 H new ATOM 0 HA GLU A 46 -10.604 -17.589 -0.366 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -8.165 -16.213 -1.553 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -7.981 -17.403 -0.280 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -9.827 -18.572 -2.099 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -8.617 -17.819 -3.118 1.00 0.00 H new ATOM 775 N ILE A 47 -8.814 -15.144 0.914 1.00 0.00 N ATOM 776 CA ILE A 47 -8.589 -14.408 2.190 1.00 0.00 C ATOM 777 C ILE A 47 -8.419 -15.416 3.332 1.00 0.00 C ATOM 778 O ILE A 47 -9.371 -16.023 3.783 1.00 0.00 O ATOM 779 CB ILE A 47 -9.790 -13.498 2.467 1.00 0.00 C ATOM 780 CG1 ILE A 47 -9.699 -12.263 1.570 1.00 0.00 C ATOM 781 CG2 ILE A 47 -9.789 -13.061 3.934 1.00 0.00 C ATOM 782 CD1 ILE A 47 -11.105 -11.822 1.161 1.00 0.00 C ATOM 0 H ILE A 47 -8.134 -14.956 0.177 1.00 0.00 H new ATOM 0 HA ILE A 47 -7.688 -13.799 2.114 1.00 0.00 H new ATOM 0 HB ILE A 47 -10.711 -14.043 2.259 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -9.192 -11.455 2.097 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -9.105 -12.487 0.684 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -10.646 -12.414 4.122 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -9.850 -13.940 4.576 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -8.870 -12.517 4.151 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -11.039 -10.942 0.522 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -11.596 -12.629 0.617 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -11.684 -11.580 2.052 1.00 0.00 H new ATOM 794 N LYS A 48 -7.214 -15.599 3.802 1.00 0.00 N ATOM 795 CA LYS A 48 -6.984 -16.566 4.911 1.00 0.00 C ATOM 796 C LYS A 48 -6.709 -15.797 6.206 1.00 0.00 C ATOM 797 O LYS A 48 -6.851 -16.326 7.290 1.00 0.00 O ATOM 798 CB LYS A 48 -5.788 -17.465 4.569 1.00 0.00 C ATOM 799 CG LYS A 48 -5.279 -18.160 5.836 1.00 0.00 C ATOM 800 CD LYS A 48 -6.345 -19.124 6.354 1.00 0.00 C ATOM 801 CE LYS A 48 -5.743 -20.003 7.452 1.00 0.00 C ATOM 802 NZ LYS A 48 -6.299 -19.593 8.772 1.00 0.00 N ATOM 0 H LYS A 48 -6.379 -15.120 3.465 1.00 0.00 H new ATOM 0 HA LYS A 48 -7.869 -17.188 5.045 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.081 -18.209 3.828 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -4.990 -16.870 4.125 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.358 -18.702 5.621 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -5.042 -17.419 6.600 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.196 -18.567 6.745 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -6.717 -19.745 5.539 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -5.969 -21.052 7.259 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -4.657 -19.907 7.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -5.891 -20.189 9.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.061 -18.597 8.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -7.333 -19.706 8.764 1.00 0.00 H new ATOM 816 N GLU A 49 -6.320 -14.553 6.106 1.00 0.00 N ATOM 817 CA GLU A 49 -6.048 -13.765 7.342 1.00 0.00 C ATOM 818 C GLU A 49 -7.367 -13.206 7.875 1.00 0.00 C ATOM 819 O GLU A 49 -7.616 -12.020 7.825 1.00 0.00 O ATOM 820 CB GLU A 49 -5.094 -12.608 7.030 1.00 0.00 C ATOM 821 CG GLU A 49 -3.680 -12.985 7.475 1.00 0.00 C ATOM 822 CD GLU A 49 -3.650 -13.127 8.998 1.00 0.00 C ATOM 823 OE1 GLU A 49 -4.100 -12.211 9.667 1.00 0.00 O ATOM 824 OE2 GLU A 49 -3.178 -14.149 9.469 1.00 0.00 O ATOM 0 H GLU A 49 -6.180 -14.052 5.228 1.00 0.00 H new ATOM 0 HA GLU A 49 -5.587 -14.412 8.089 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -5.106 -12.390 5.962 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -5.420 -11.704 7.544 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -3.376 -13.920 7.005 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -2.970 -12.222 7.155 1.00 0.00 H new ATOM 831 N GLN A 50 -8.216 -14.053 8.383 1.00 0.00 N ATOM 832 CA GLN A 50 -9.521 -13.577 8.915 1.00 0.00 C ATOM 833 C GLN A 50 -9.295 -12.389 9.850 1.00 0.00 C ATOM 834 O GLN A 50 -10.183 -11.600 10.087 1.00 0.00 O ATOM 835 CB GLN A 50 -10.196 -14.712 9.687 1.00 0.00 C ATOM 836 CG GLN A 50 -11.394 -14.163 10.466 1.00 0.00 C ATOM 837 CD GLN A 50 -12.088 -15.307 11.207 1.00 0.00 C ATOM 838 OE1 GLN A 50 -11.617 -16.428 11.195 1.00 0.00 O ATOM 839 NE2 GLN A 50 -13.196 -15.072 11.857 1.00 0.00 N ATOM 0 H GLN A 50 -8.061 -15.059 8.453 1.00 0.00 H new ATOM 0 HA GLN A 50 -10.158 -13.266 8.087 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -10.524 -15.490 8.997 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -9.484 -15.173 10.372 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -11.063 -13.404 11.175 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -12.094 -13.679 9.784 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -13.592 -14.132 11.867 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -13.666 -15.829 12.354 1.00 0.00 H new ATOM 848 N GLU A 51 -8.116 -12.259 10.394 1.00 0.00 N ATOM 849 CA GLU A 51 -7.850 -11.124 11.324 1.00 0.00 C ATOM 850 C GLU A 51 -7.543 -9.844 10.538 1.00 0.00 C ATOM 851 O GLU A 51 -7.998 -8.772 10.889 1.00 0.00 O ATOM 852 CB GLU A 51 -6.659 -11.469 12.220 1.00 0.00 C ATOM 853 CG GLU A 51 -7.084 -11.389 13.689 1.00 0.00 C ATOM 854 CD GLU A 51 -5.980 -10.718 14.506 1.00 0.00 C ATOM 855 OE1 GLU A 51 -5.700 -9.559 14.246 1.00 0.00 O ATOM 856 OE2 GLU A 51 -5.434 -11.371 15.380 1.00 0.00 O ATOM 0 H GLU A 51 -7.328 -12.887 10.236 1.00 0.00 H new ATOM 0 HA GLU A 51 -8.737 -10.956 11.934 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -6.295 -12.470 11.990 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -5.836 -10.780 12.030 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -8.012 -10.824 13.779 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -7.280 -12.389 14.076 1.00 0.00 H new ATOM 863 N VAL A 52 -6.765 -9.936 9.494 1.00 0.00 N ATOM 864 CA VAL A 52 -6.425 -8.709 8.712 1.00 0.00 C ATOM 865 C VAL A 52 -7.650 -8.222 7.939 1.00 0.00 C ATOM 866 O VAL A 52 -7.904 -7.037 7.846 1.00 0.00 O ATOM 867 CB VAL A 52 -5.291 -9.024 7.731 1.00 0.00 C ATOM 868 CG1 VAL A 52 -5.105 -7.859 6.759 1.00 0.00 C ATOM 869 CG2 VAL A 52 -3.992 -9.241 8.507 1.00 0.00 C ATOM 0 H VAL A 52 -6.351 -10.802 9.149 1.00 0.00 H new ATOM 0 HA VAL A 52 -6.106 -7.926 9.400 1.00 0.00 H new ATOM 0 HB VAL A 52 -5.543 -9.925 7.172 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -4.297 -8.090 6.065 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -6.028 -7.699 6.202 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -4.857 -6.956 7.317 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.185 -9.465 7.810 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -3.748 -8.338 9.067 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.116 -10.074 9.198 1.00 0.00 H new ATOM 879 N VAL A 53 -8.409 -9.118 7.378 1.00 0.00 N ATOM 880 CA VAL A 53 -9.610 -8.691 6.609 1.00 0.00 C ATOM 881 C VAL A 53 -10.761 -8.397 7.571 1.00 0.00 C ATOM 882 O VAL A 53 -11.616 -7.582 7.292 1.00 0.00 O ATOM 883 CB VAL A 53 -10.016 -9.801 5.640 1.00 0.00 C ATOM 884 CG1 VAL A 53 -11.161 -9.309 4.753 1.00 0.00 C ATOM 885 CG2 VAL A 53 -8.817 -10.172 4.763 1.00 0.00 C ATOM 0 H VAL A 53 -8.251 -10.125 7.418 1.00 0.00 H new ATOM 0 HA VAL A 53 -9.377 -7.788 6.046 1.00 0.00 H new ATOM 0 HB VAL A 53 -10.342 -10.676 6.203 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -11.451 -10.100 4.061 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -12.014 -9.040 5.376 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -10.835 -8.435 4.189 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -9.104 -10.964 4.071 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -8.494 -9.297 4.200 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -7.999 -10.520 5.394 1.00 0.00 H new ATOM 895 N ASP A 54 -10.792 -9.043 8.703 1.00 0.00 N ATOM 896 CA ASP A 54 -11.891 -8.775 9.668 1.00 0.00 C ATOM 897 C ASP A 54 -11.550 -7.519 10.465 1.00 0.00 C ATOM 898 O ASP A 54 -12.414 -6.872 11.018 1.00 0.00 O ATOM 899 CB ASP A 54 -12.047 -9.956 10.627 1.00 0.00 C ATOM 900 CG ASP A 54 -13.293 -9.750 11.490 1.00 0.00 C ATOM 901 OD1 ASP A 54 -14.325 -9.410 10.934 1.00 0.00 O ATOM 902 OD2 ASP A 54 -13.194 -9.938 12.691 1.00 0.00 O ATOM 0 H ASP A 54 -10.109 -9.740 8.999 1.00 0.00 H new ATOM 0 HA ASP A 54 -12.825 -8.634 9.125 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -12.130 -10.886 10.065 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -11.164 -10.044 11.260 1.00 0.00 H new ATOM 907 N LYS A 55 -10.296 -7.164 10.525 1.00 0.00 N ATOM 908 CA LYS A 55 -9.913 -5.947 11.285 1.00 0.00 C ATOM 909 C LYS A 55 -10.295 -4.710 10.476 1.00 0.00 C ATOM 910 O LYS A 55 -10.855 -3.764 10.999 1.00 0.00 O ATOM 911 CB LYS A 55 -8.405 -5.959 11.537 1.00 0.00 C ATOM 912 CG LYS A 55 -8.004 -4.693 12.292 1.00 0.00 C ATOM 913 CD LYS A 55 -7.620 -3.603 11.291 1.00 0.00 C ATOM 914 CE LYS A 55 -6.951 -2.446 12.034 1.00 0.00 C ATOM 915 NZ LYS A 55 -5.489 -2.452 11.749 1.00 0.00 N ATOM 0 H LYS A 55 -9.525 -7.663 10.082 1.00 0.00 H new ATOM 0 HA LYS A 55 -10.435 -5.928 12.242 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -8.129 -6.842 12.114 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -7.868 -6.016 10.590 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -8.829 -4.353 12.917 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -7.166 -4.903 12.957 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -6.943 -4.007 10.538 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -8.506 -3.248 10.765 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -7.389 -1.498 11.722 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -7.124 -2.540 13.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -4.961 -2.513 12.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -5.255 -3.271 11.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -5.229 -1.576 11.252 1.00 0.00 H new ATOM 929 N VAL A 56 -10.013 -4.704 9.201 1.00 0.00 N ATOM 930 CA VAL A 56 -10.384 -3.524 8.376 1.00 0.00 C ATOM 931 C VAL A 56 -11.863 -3.624 8.020 1.00 0.00 C ATOM 932 O VAL A 56 -12.569 -2.637 7.951 1.00 0.00 O ATOM 933 CB VAL A 56 -9.549 -3.501 7.095 1.00 0.00 C ATOM 934 CG1 VAL A 56 -8.168 -2.917 7.394 1.00 0.00 C ATOM 935 CG2 VAL A 56 -9.389 -4.922 6.548 1.00 0.00 C ATOM 0 H VAL A 56 -9.546 -5.460 8.700 1.00 0.00 H new ATOM 0 HA VAL A 56 -10.195 -2.608 8.936 1.00 0.00 H new ATOM 0 HB VAL A 56 -10.056 -2.885 6.353 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -7.574 -2.901 6.480 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -8.277 -1.901 7.774 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -7.667 -3.532 8.142 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -8.793 -4.896 5.636 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -8.889 -5.544 7.291 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -10.371 -5.340 6.328 1.00 0.00 H new ATOM 945 N MET A 57 -12.333 -4.817 7.807 1.00 0.00 N ATOM 946 CA MET A 57 -13.766 -5.009 7.467 1.00 0.00 C ATOM 947 C MET A 57 -14.606 -4.761 8.717 1.00 0.00 C ATOM 948 O MET A 57 -15.765 -4.412 8.637 1.00 0.00 O ATOM 949 CB MET A 57 -13.980 -6.441 6.982 1.00 0.00 C ATOM 950 CG MET A 57 -15.348 -6.556 6.314 1.00 0.00 C ATOM 951 SD MET A 57 -15.141 -7.065 4.587 1.00 0.00 S ATOM 952 CE MET A 57 -13.848 -5.878 4.143 1.00 0.00 C ATOM 0 H MET A 57 -11.782 -5.674 7.854 1.00 0.00 H new ATOM 0 HA MET A 57 -14.061 -4.314 6.681 1.00 0.00 H new ATOM 0 HB2 MET A 57 -13.196 -6.718 6.278 1.00 0.00 H new ATOM 0 HB3 MET A 57 -13.914 -7.134 7.821 1.00 0.00 H new ATOM 0 HG2 MET A 57 -15.964 -7.281 6.846 1.00 0.00 H new ATOM 0 HG3 MET A 57 -15.869 -5.600 6.362 1.00 0.00 H new ATOM 0 HE1 MET A 57 -13.873 -5.698 3.068 1.00 0.00 H new ATOM 0 HE2 MET A 57 -14.018 -4.940 4.672 1.00 0.00 H new ATOM 0 HE3 MET A 57 -12.874 -6.280 4.421 1.00 0.00 H new ATOM 962 N GLU A 58 -14.028 -4.933 9.876 1.00 0.00 N ATOM 963 CA GLU A 58 -14.805 -4.692 11.126 1.00 0.00 C ATOM 964 C GLU A 58 -14.975 -3.186 11.324 1.00 0.00 C ATOM 965 O GLU A 58 -16.071 -2.696 11.513 1.00 0.00 O ATOM 966 CB GLU A 58 -14.063 -5.281 12.329 1.00 0.00 C ATOM 967 CG GLU A 58 -14.480 -6.738 12.526 1.00 0.00 C ATOM 968 CD GLU A 58 -15.390 -6.848 13.752 1.00 0.00 C ATOM 969 OE1 GLU A 58 -16.420 -6.193 13.762 1.00 0.00 O ATOM 970 OE2 GLU A 58 -15.040 -7.585 14.660 1.00 0.00 O ATOM 0 H GLU A 58 -13.061 -5.227 10.011 1.00 0.00 H new ATOM 0 HA GLU A 58 -15.781 -5.171 11.042 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -12.986 -5.219 12.171 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -14.288 -4.704 13.226 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -15.001 -7.101 11.640 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -13.598 -7.365 12.657 1.00 0.00 H new ATOM 977 N THR A 59 -13.903 -2.444 11.268 1.00 0.00 N ATOM 978 CA THR A 59 -14.019 -0.970 11.440 1.00 0.00 C ATOM 979 C THR A 59 -14.815 -0.410 10.262 1.00 0.00 C ATOM 980 O THR A 59 -15.429 0.635 10.345 1.00 0.00 O ATOM 981 CB THR A 59 -12.622 -0.345 11.464 1.00 0.00 C ATOM 982 OG1 THR A 59 -11.761 -1.144 12.264 1.00 0.00 O ATOM 983 CG2 THR A 59 -12.702 1.066 12.052 1.00 0.00 C ATOM 0 H THR A 59 -12.957 -2.793 11.111 1.00 0.00 H new ATOM 0 HA THR A 59 -14.525 -0.738 12.377 1.00 0.00 H new ATOM 0 HB THR A 59 -12.230 -0.292 10.448 1.00 0.00 H new ATOM 0 HG1 THR A 59 -11.400 -1.877 11.724 1.00 0.00 H new ATOM 0 HG21 THR A 59 -11.707 1.510 12.069 1.00 0.00 H new ATOM 0 HG22 THR A 59 -13.363 1.679 11.439 1.00 0.00 H new ATOM 0 HG23 THR A 59 -13.094 1.015 13.068 1.00 0.00 H new ATOM 991 N LEU A 60 -14.810 -1.116 9.166 1.00 0.00 N ATOM 992 CA LEU A 60 -15.561 -0.661 7.967 1.00 0.00 C ATOM 993 C LEU A 60 -17.064 -0.780 8.230 1.00 0.00 C ATOM 994 O LEU A 60 -17.815 0.162 8.061 1.00 0.00 O ATOM 995 CB LEU A 60 -15.181 -1.556 6.787 1.00 0.00 C ATOM 996 CG LEU A 60 -14.016 -0.928 6.026 1.00 0.00 C ATOM 997 CD1 LEU A 60 -13.648 -1.811 4.834 1.00 0.00 C ATOM 998 CD2 LEU A 60 -14.423 0.461 5.528 1.00 0.00 C ATOM 0 H LEU A 60 -14.311 -1.998 9.050 1.00 0.00 H new ATOM 0 HA LEU A 60 -15.316 0.378 7.745 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -14.904 -2.548 7.144 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -16.036 -1.684 6.123 1.00 0.00 H new ATOM 0 HG LEU A 60 -13.155 -0.839 6.689 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -12.816 -1.362 4.291 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -13.358 -2.800 5.189 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -14.507 -1.902 4.170 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -13.592 0.911 4.984 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -15.284 0.372 4.866 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -14.683 1.091 6.379 1.00 0.00 H new ATOM 1010 N ASP A 61 -17.503 -1.936 8.638 1.00 0.00 N ATOM 1011 CA ASP A 61 -18.952 -2.139 8.913 1.00 0.00 C ATOM 1012 C ASP A 61 -19.320 -1.492 10.251 1.00 0.00 C ATOM 1013 O ASP A 61 -20.479 -1.352 10.587 1.00 0.00 O ATOM 1014 CB ASP A 61 -19.241 -3.641 8.980 1.00 0.00 C ATOM 1015 CG ASP A 61 -20.438 -3.970 8.087 1.00 0.00 C ATOM 1016 OD1 ASP A 61 -20.410 -3.592 6.928 1.00 0.00 O ATOM 1017 OD2 ASP A 61 -21.364 -4.594 8.579 1.00 0.00 O ATOM 0 H ASP A 61 -16.916 -2.756 8.794 1.00 0.00 H new ATOM 0 HA ASP A 61 -19.542 -1.682 8.119 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -18.366 -4.205 8.656 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -19.449 -3.937 10.008 1.00 0.00 H new ATOM 1022 N GLU A 62 -18.341 -1.098 11.018 1.00 0.00 N ATOM 1023 CA GLU A 62 -18.637 -0.464 12.334 1.00 0.00 C ATOM 1024 C GLU A 62 -19.184 0.949 12.118 1.00 0.00 C ATOM 1025 O GLU A 62 -20.048 1.408 12.839 1.00 0.00 O ATOM 1026 CB GLU A 62 -17.354 -0.395 13.165 1.00 0.00 C ATOM 1027 CG GLU A 62 -17.697 -0.007 14.604 1.00 0.00 C ATOM 1028 CD GLU A 62 -16.421 -0.004 15.450 1.00 0.00 C ATOM 1029 OE1 GLU A 62 -15.666 0.947 15.341 1.00 0.00 O ATOM 1030 OE2 GLU A 62 -16.222 -0.952 16.191 1.00 0.00 O ATOM 0 H GLU A 62 -17.351 -1.187 10.791 1.00 0.00 H new ATOM 0 HA GLU A 62 -19.382 -1.059 12.861 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -16.846 -1.359 13.149 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -16.668 0.335 12.734 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -18.162 0.978 14.625 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -18.420 -0.710 15.019 1.00 0.00 H new ATOM 1037 N ASP A 63 -18.687 1.643 11.133 1.00 0.00 N ATOM 1038 CA ASP A 63 -19.177 3.027 10.876 1.00 0.00 C ATOM 1039 C ASP A 63 -18.908 3.404 9.416 1.00 0.00 C ATOM 1040 O ASP A 63 -18.278 4.401 9.131 1.00 0.00 O ATOM 1041 CB ASP A 63 -18.445 4.005 11.797 1.00 0.00 C ATOM 1042 CG ASP A 63 -18.886 3.774 13.244 1.00 0.00 C ATOM 1043 OD1 ASP A 63 -20.080 3.663 13.467 1.00 0.00 O ATOM 1044 OD2 ASP A 63 -18.023 3.711 14.103 1.00 0.00 O ATOM 0 H ASP A 63 -17.963 1.313 10.495 1.00 0.00 H new ATOM 0 HA ASP A 63 -20.248 3.074 11.071 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -17.367 3.867 11.708 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -18.661 5.031 11.500 1.00 0.00 H new ATOM 1049 N GLY A 64 -19.384 2.613 8.491 1.00 0.00 N ATOM 1050 CA GLY A 64 -19.161 2.919 7.046 1.00 0.00 C ATOM 1051 C GLY A 64 -19.310 4.422 6.801 1.00 0.00 C ATOM 1052 O GLY A 64 -18.720 4.973 5.894 1.00 0.00 O ATOM 0 H GLY A 64 -19.920 1.765 8.674 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -18.166 2.590 6.745 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -19.877 2.370 6.435 1.00 0.00 H new ATOM 1056 N ASP A 65 -20.095 5.092 7.602 1.00 0.00 N ATOM 1057 CA ASP A 65 -20.275 6.560 7.411 1.00 0.00 C ATOM 1058 C ASP A 65 -19.252 7.314 8.264 1.00 0.00 C ATOM 1059 O ASP A 65 -19.558 8.321 8.871 1.00 0.00 O ATOM 1060 CB ASP A 65 -21.690 6.961 7.840 1.00 0.00 C ATOM 1061 CG ASP A 65 -22.090 8.257 7.133 1.00 0.00 C ATOM 1062 OD1 ASP A 65 -21.219 9.082 6.914 1.00 0.00 O ATOM 1063 OD2 ASP A 65 -23.260 8.404 6.822 1.00 0.00 O ATOM 0 H ASP A 65 -20.618 4.687 8.378 1.00 0.00 H new ATOM 0 HA ASP A 65 -20.129 6.810 6.360 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -22.395 6.167 7.593 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -21.729 7.097 8.921 1.00 0.00 H new ATOM 1068 N GLY A 66 -18.037 6.834 8.314 1.00 0.00 N ATOM 1069 CA GLY A 66 -16.996 7.520 9.125 1.00 0.00 C ATOM 1070 C GLY A 66 -15.993 8.208 8.197 1.00 0.00 C ATOM 1071 O GLY A 66 -16.023 8.033 6.995 1.00 0.00 O ATOM 0 H GLY A 66 -17.723 5.995 7.826 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -17.459 8.254 9.784 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -16.483 6.799 9.761 1.00 0.00 H new ATOM 1075 N GLU A 67 -15.103 8.992 8.743 1.00 0.00 N ATOM 1076 CA GLU A 67 -14.102 9.692 7.888 1.00 0.00 C ATOM 1077 C GLU A 67 -12.727 9.036 8.059 1.00 0.00 C ATOM 1078 O GLU A 67 -12.250 8.851 9.162 1.00 0.00 O ATOM 1079 CB GLU A 67 -14.022 11.164 8.303 1.00 0.00 C ATOM 1080 CG GLU A 67 -15.180 11.937 7.669 1.00 0.00 C ATOM 1081 CD GLU A 67 -15.253 13.340 8.277 1.00 0.00 C ATOM 1082 OE1 GLU A 67 -14.305 13.725 8.941 1.00 0.00 O ATOM 1083 OE2 GLU A 67 -16.254 14.005 8.066 1.00 0.00 O ATOM 0 H GLU A 67 -15.026 9.178 9.743 1.00 0.00 H new ATOM 0 HA GLU A 67 -14.406 9.622 6.843 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -14.065 11.250 9.389 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -13.070 11.591 7.987 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -15.039 12.004 6.590 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -16.118 11.408 7.836 1.00 0.00 H new ATOM 1090 N CYS A 68 -12.088 8.683 6.976 1.00 0.00 N ATOM 1091 CA CYS A 68 -10.745 8.040 7.075 1.00 0.00 C ATOM 1092 C CYS A 68 -9.664 9.045 6.669 1.00 0.00 C ATOM 1093 O CYS A 68 -9.956 10.122 6.186 1.00 0.00 O ATOM 1094 CB CYS A 68 -10.689 6.829 6.141 1.00 0.00 C ATOM 1095 SG CYS A 68 -11.818 5.551 6.745 1.00 0.00 S ATOM 0 H CYS A 68 -12.438 8.812 6.027 1.00 0.00 H new ATOM 0 HA CYS A 68 -10.574 7.717 8.102 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -10.964 7.124 5.128 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -9.672 6.439 6.094 1.00 0.00 H new ATOM 0 HG CYS A 68 -12.268 4.859 5.740 1.00 0.00 H new ATOM 1101 N ASP A 69 -8.417 8.703 6.860 1.00 0.00 N ATOM 1102 CA ASP A 69 -7.322 9.644 6.483 1.00 0.00 C ATOM 1103 C ASP A 69 -6.595 9.110 5.244 1.00 0.00 C ATOM 1104 O ASP A 69 -6.961 8.092 4.692 1.00 0.00 O ATOM 1105 CB ASP A 69 -6.334 9.762 7.645 1.00 0.00 C ATOM 1106 CG ASP A 69 -7.073 10.244 8.896 1.00 0.00 C ATOM 1107 OD1 ASP A 69 -8.262 9.988 8.993 1.00 0.00 O ATOM 1108 OD2 ASP A 69 -6.439 10.861 9.734 1.00 0.00 O ATOM 0 H ASP A 69 -8.110 7.816 7.259 1.00 0.00 H new ATOM 0 HA ASP A 69 -7.742 10.625 6.261 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -5.864 8.797 7.836 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -5.537 10.460 7.389 1.00 0.00 H new ATOM 1113 N PHE A 70 -5.568 9.784 4.804 1.00 0.00 N ATOM 1114 CA PHE A 70 -4.829 9.298 3.603 1.00 0.00 C ATOM 1115 C PHE A 70 -3.885 8.169 4.016 1.00 0.00 C ATOM 1116 O PHE A 70 -3.673 7.229 3.280 1.00 0.00 O ATOM 1117 CB PHE A 70 -4.028 10.441 2.973 1.00 0.00 C ATOM 1118 CG PHE A 70 -3.409 11.300 4.048 1.00 0.00 C ATOM 1119 CD1 PHE A 70 -2.163 10.958 4.585 1.00 0.00 C ATOM 1120 CD2 PHE A 70 -4.078 12.445 4.498 1.00 0.00 C ATOM 1121 CE1 PHE A 70 -1.585 11.761 5.575 1.00 0.00 C ATOM 1122 CE2 PHE A 70 -3.499 13.248 5.487 1.00 0.00 C ATOM 1123 CZ PHE A 70 -2.253 12.907 6.025 1.00 0.00 C ATOM 0 H PHE A 70 -5.210 10.644 5.220 1.00 0.00 H new ATOM 0 HA PHE A 70 -5.544 8.928 2.868 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -3.249 10.036 2.328 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -4.679 11.047 2.344 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -1.648 10.075 4.236 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -5.039 12.708 4.082 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -0.624 11.497 5.992 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -4.014 14.131 5.835 1.00 0.00 H new ATOM 0 HZ PHE A 70 -1.806 13.528 6.788 1.00 0.00 H new ATOM 1133 N GLN A 71 -3.324 8.248 5.193 1.00 0.00 N ATOM 1134 CA GLN A 71 -2.403 7.168 5.654 1.00 0.00 C ATOM 1135 C GLN A 71 -3.230 5.977 6.130 1.00 0.00 C ATOM 1136 O GLN A 71 -2.784 4.848 6.103 1.00 0.00 O ATOM 1137 CB GLN A 71 -1.541 7.680 6.810 1.00 0.00 C ATOM 1138 CG GLN A 71 -0.558 8.731 6.291 1.00 0.00 C ATOM 1139 CD GLN A 71 0.797 8.547 6.975 1.00 0.00 C ATOM 1140 OE1 GLN A 71 1.394 9.502 7.431 1.00 0.00 O ATOM 1141 NE2 GLN A 71 1.311 7.351 7.066 1.00 0.00 N ATOM 0 H GLN A 71 -3.463 9.012 5.854 1.00 0.00 H new ATOM 0 HA GLN A 71 -1.756 6.866 4.830 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -2.174 8.111 7.586 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -0.997 6.853 7.266 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -0.447 8.638 5.211 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -0.943 9.732 6.487 1.00 0.00 H new ATOM 0 HE21 GLN A 71 0.809 6.550 6.683 1.00 0.00 H new ATOM 0 HE22 GLN A 71 2.214 7.217 7.520 1.00 0.00 H new ATOM 1150 N GLU A 72 -4.436 6.220 6.568 1.00 0.00 N ATOM 1151 CA GLU A 72 -5.290 5.101 7.040 1.00 0.00 C ATOM 1152 C GLU A 72 -5.866 4.370 5.828 1.00 0.00 C ATOM 1153 O GLU A 72 -5.765 3.166 5.714 1.00 0.00 O ATOM 1154 CB GLU A 72 -6.428 5.657 7.903 1.00 0.00 C ATOM 1155 CG GLU A 72 -6.022 5.594 9.377 1.00 0.00 C ATOM 1156 CD GLU A 72 -6.991 4.686 10.137 1.00 0.00 C ATOM 1157 OE1 GLU A 72 -8.169 4.716 9.824 1.00 0.00 O ATOM 1158 OE2 GLU A 72 -6.536 3.977 11.020 1.00 0.00 O ATOM 0 H GLU A 72 -4.863 7.145 6.618 1.00 0.00 H new ATOM 0 HA GLU A 72 -4.698 4.407 7.636 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -6.647 6.686 7.618 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -7.339 5.081 7.740 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -5.004 5.215 9.469 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -6.029 6.594 9.810 1.00 0.00 H new ATOM 1165 N PHE A 73 -6.456 5.092 4.915 1.00 0.00 N ATOM 1166 CA PHE A 73 -7.025 4.440 3.703 1.00 0.00 C ATOM 1167 C PHE A 73 -5.893 3.768 2.921 1.00 0.00 C ATOM 1168 O PHE A 73 -6.113 2.864 2.139 1.00 0.00 O ATOM 1169 CB PHE A 73 -7.706 5.505 2.830 1.00 0.00 C ATOM 1170 CG PHE A 73 -7.863 4.997 1.414 1.00 0.00 C ATOM 1171 CD1 PHE A 73 -6.809 5.123 0.502 1.00 0.00 C ATOM 1172 CD2 PHE A 73 -9.064 4.401 1.017 1.00 0.00 C ATOM 1173 CE1 PHE A 73 -6.956 4.650 -0.809 1.00 0.00 C ATOM 1174 CE2 PHE A 73 -9.212 3.929 -0.292 1.00 0.00 C ATOM 1175 CZ PHE A 73 -8.159 4.054 -1.206 1.00 0.00 C ATOM 0 H PHE A 73 -6.568 6.105 4.956 1.00 0.00 H new ATOM 0 HA PHE A 73 -7.761 3.689 3.991 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -8.682 5.756 3.245 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -7.114 6.420 2.832 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -5.882 5.585 0.809 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -9.878 4.305 1.721 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -6.142 4.745 -1.512 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -10.140 3.468 -0.597 1.00 0.00 H new ATOM 0 HZ PHE A 73 -8.275 3.691 -2.217 1.00 0.00 H new ATOM 1185 N MET A 74 -4.682 4.209 3.124 1.00 0.00 N ATOM 1186 CA MET A 74 -3.533 3.605 2.394 1.00 0.00 C ATOM 1187 C MET A 74 -3.118 2.301 3.071 1.00 0.00 C ATOM 1188 O MET A 74 -3.060 1.258 2.450 1.00 0.00 O ATOM 1189 CB MET A 74 -2.358 4.583 2.418 1.00 0.00 C ATOM 1190 CG MET A 74 -1.975 4.958 0.988 1.00 0.00 C ATOM 1191 SD MET A 74 -0.657 3.861 0.411 1.00 0.00 S ATOM 1192 CE MET A 74 -1.644 2.949 -0.797 1.00 0.00 C ATOM 0 H MET A 74 -4.439 4.964 3.766 1.00 0.00 H new ATOM 0 HA MET A 74 -3.825 3.398 1.364 1.00 0.00 H new ATOM 0 HB2 MET A 74 -2.628 5.477 2.980 1.00 0.00 H new ATOM 0 HB3 MET A 74 -1.506 4.132 2.927 1.00 0.00 H new ATOM 0 HG2 MET A 74 -2.843 4.877 0.334 1.00 0.00 H new ATOM 0 HG3 MET A 74 -1.643 5.995 0.949 1.00 0.00 H new ATOM 0 HE1 MET A 74 -1.401 1.888 -0.739 1.00 0.00 H new ATOM 0 HE2 MET A 74 -2.703 3.091 -0.583 1.00 0.00 H new ATOM 0 HE3 MET A 74 -1.424 3.317 -1.799 1.00 0.00 H new ATOM 1202 N ALA A 75 -2.823 2.352 4.338 1.00 0.00 N ATOM 1203 CA ALA A 75 -2.406 1.115 5.051 1.00 0.00 C ATOM 1204 C ALA A 75 -3.587 0.145 5.102 1.00 0.00 C ATOM 1205 O ALA A 75 -3.423 -1.032 5.351 1.00 0.00 O ATOM 1206 CB ALA A 75 -1.953 1.470 6.470 1.00 0.00 C ATOM 0 H ALA A 75 -2.852 3.196 4.910 1.00 0.00 H new ATOM 0 HA ALA A 75 -1.576 0.644 4.524 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -1.648 0.563 6.992 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -1.112 2.161 6.421 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -2.777 1.939 7.008 1.00 0.00 H new ATOM 1212 N PHE A 76 -4.777 0.629 4.858 1.00 0.00 N ATOM 1213 CA PHE A 76 -5.971 -0.266 4.881 1.00 0.00 C ATOM 1214 C PHE A 76 -6.013 -1.084 3.589 1.00 0.00 C ATOM 1215 O PHE A 76 -6.353 -2.250 3.590 1.00 0.00 O ATOM 1216 CB PHE A 76 -7.242 0.582 4.978 1.00 0.00 C ATOM 1217 CG PHE A 76 -8.007 0.217 6.227 1.00 0.00 C ATOM 1218 CD1 PHE A 76 -7.389 0.305 7.480 1.00 0.00 C ATOM 1219 CD2 PHE A 76 -9.338 -0.208 6.132 1.00 0.00 C ATOM 1220 CE1 PHE A 76 -8.100 -0.031 8.637 1.00 0.00 C ATOM 1221 CE2 PHE A 76 -10.049 -0.544 7.289 1.00 0.00 C ATOM 1222 CZ PHE A 76 -9.430 -0.456 8.542 1.00 0.00 C ATOM 0 H PHE A 76 -4.973 1.607 4.644 1.00 0.00 H new ATOM 0 HA PHE A 76 -5.909 -0.934 5.740 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -6.983 1.641 4.996 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -7.866 0.421 4.099 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -6.362 0.633 7.554 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -9.815 -0.276 5.166 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -7.623 0.038 9.603 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -11.076 -0.871 7.216 1.00 0.00 H new ATOM 0 HZ PHE A 76 -9.979 -0.716 9.435 1.00 0.00 H new ATOM 1232 N VAL A 77 -5.677 -0.475 2.485 1.00 0.00 N ATOM 1233 CA VAL A 77 -5.701 -1.204 1.185 1.00 0.00 C ATOM 1234 C VAL A 77 -4.563 -2.228 1.142 1.00 0.00 C ATOM 1235 O VAL A 77 -4.645 -3.232 0.463 1.00 0.00 O ATOM 1236 CB VAL A 77 -5.526 -0.196 0.046 1.00 0.00 C ATOM 1237 CG1 VAL A 77 -5.419 -0.936 -1.289 1.00 0.00 C ATOM 1238 CG2 VAL A 77 -6.736 0.741 0.013 1.00 0.00 C ATOM 0 H VAL A 77 -5.386 0.501 2.427 1.00 0.00 H new ATOM 0 HA VAL A 77 -6.652 -1.725 1.076 1.00 0.00 H new ATOM 0 HB VAL A 77 -4.616 0.381 0.210 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.295 -0.214 -2.096 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.560 -1.606 -1.266 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -6.327 -1.516 -1.457 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -6.617 1.461 -0.796 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -7.643 0.159 -0.150 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -6.811 1.271 0.962 1.00 0.00 H new ATOM 1248 N SER A 78 -3.498 -1.979 1.850 1.00 0.00 N ATOM 1249 CA SER A 78 -2.355 -2.937 1.830 1.00 0.00 C ATOM 1250 C SER A 78 -2.664 -4.161 2.702 1.00 0.00 C ATOM 1251 O SER A 78 -2.380 -5.282 2.327 1.00 0.00 O ATOM 1252 CB SER A 78 -1.100 -2.239 2.353 1.00 0.00 C ATOM 1253 OG SER A 78 -1.236 -2.010 3.750 1.00 0.00 O ATOM 0 H SER A 78 -3.368 -1.157 2.440 1.00 0.00 H new ATOM 0 HA SER A 78 -2.192 -3.271 0.805 1.00 0.00 H new ATOM 0 HB2 SER A 78 -0.221 -2.853 2.158 1.00 0.00 H new ATOM 0 HB3 SER A 78 -0.952 -1.294 1.831 1.00 0.00 H new ATOM 0 HG SER A 78 -2.123 -1.637 3.936 1.00 0.00 H new ATOM 1259 N MET A 79 -3.232 -3.965 3.861 1.00 0.00 N ATOM 1260 CA MET A 79 -3.539 -5.127 4.741 1.00 0.00 C ATOM 1261 C MET A 79 -4.447 -6.118 4.010 1.00 0.00 C ATOM 1262 O MET A 79 -4.228 -7.313 4.041 1.00 0.00 O ATOM 1263 CB MET A 79 -4.249 -4.636 6.005 1.00 0.00 C ATOM 1264 CG MET A 79 -3.593 -3.350 6.505 1.00 0.00 C ATOM 1265 SD MET A 79 -3.044 -3.578 8.215 1.00 0.00 S ATOM 1266 CE MET A 79 -3.986 -2.210 8.937 1.00 0.00 C ATOM 0 H MET A 79 -3.496 -3.053 4.235 1.00 0.00 H new ATOM 0 HA MET A 79 -2.606 -5.624 5.007 1.00 0.00 H new ATOM 0 HB2 MET A 79 -5.304 -4.458 5.794 1.00 0.00 H new ATOM 0 HB3 MET A 79 -4.203 -5.402 6.779 1.00 0.00 H new ATOM 0 HG2 MET A 79 -2.745 -3.091 5.871 1.00 0.00 H new ATOM 0 HG3 MET A 79 -4.299 -2.522 6.446 1.00 0.00 H new ATOM 0 HE1 MET A 79 -3.569 -1.955 9.911 1.00 0.00 H new ATOM 0 HE2 MET A 79 -3.929 -1.342 8.280 1.00 0.00 H new ATOM 0 HE3 MET A 79 -5.028 -2.508 9.055 1.00 0.00 H new ATOM 1276 N VAL A 80 -5.475 -5.636 3.367 1.00 0.00 N ATOM 1277 CA VAL A 80 -6.406 -6.553 2.656 1.00 0.00 C ATOM 1278 C VAL A 80 -5.730 -7.156 1.418 1.00 0.00 C ATOM 1279 O VAL A 80 -5.830 -8.341 1.168 1.00 0.00 O ATOM 1280 CB VAL A 80 -7.656 -5.778 2.238 1.00 0.00 C ATOM 1281 CG1 VAL A 80 -8.430 -5.347 3.488 1.00 0.00 C ATOM 1282 CG2 VAL A 80 -7.259 -4.540 1.426 1.00 0.00 C ATOM 0 H VAL A 80 -5.709 -4.645 3.304 1.00 0.00 H new ATOM 0 HA VAL A 80 -6.683 -7.366 3.327 1.00 0.00 H new ATOM 0 HB VAL A 80 -8.286 -6.419 1.621 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -9.321 -4.794 3.191 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -8.723 -6.229 4.057 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -7.797 -4.710 4.106 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -8.156 -3.994 1.133 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -6.624 -3.895 2.033 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -6.714 -4.849 0.534 1.00 0.00 H new ATOM 1292 N THR A 81 -5.049 -6.363 0.636 1.00 0.00 N ATOM 1293 CA THR A 81 -4.383 -6.920 -0.579 1.00 0.00 C ATOM 1294 C THR A 81 -3.261 -7.873 -0.159 1.00 0.00 C ATOM 1295 O THR A 81 -2.685 -8.568 -0.973 1.00 0.00 O ATOM 1296 CB THR A 81 -3.802 -5.779 -1.422 1.00 0.00 C ATOM 1297 OG1 THR A 81 -4.680 -4.663 -1.376 1.00 0.00 O ATOM 1298 CG2 THR A 81 -3.641 -6.244 -2.873 1.00 0.00 C ATOM 0 H THR A 81 -4.925 -5.361 0.783 1.00 0.00 H new ATOM 0 HA THR A 81 -5.117 -7.465 -1.172 1.00 0.00 H new ATOM 0 HB THR A 81 -2.829 -5.493 -1.024 1.00 0.00 H new ATOM 0 HG1 THR A 81 -4.234 -3.914 -0.928 1.00 0.00 H new ATOM 0 HG21 THR A 81 -3.228 -5.432 -3.472 1.00 0.00 H new ATOM 0 HG22 THR A 81 -2.967 -7.100 -2.908 1.00 0.00 H new ATOM 0 HG23 THR A 81 -4.613 -6.531 -3.273 1.00 0.00 H new ATOM 1306 N THR A 82 -2.951 -7.916 1.108 1.00 0.00 N ATOM 1307 CA THR A 82 -1.873 -8.829 1.580 1.00 0.00 C ATOM 1308 C THR A 82 -2.387 -9.652 2.761 1.00 0.00 C ATOM 1309 O THR A 82 -1.627 -10.284 3.468 1.00 0.00 O ATOM 1310 CB THR A 82 -0.662 -8.005 2.022 1.00 0.00 C ATOM 1311 OG1 THR A 82 -1.060 -7.081 3.025 1.00 0.00 O ATOM 1312 CG2 THR A 82 -0.090 -7.247 0.824 1.00 0.00 C ATOM 0 H THR A 82 -3.398 -7.358 1.836 1.00 0.00 H new ATOM 0 HA THR A 82 -1.581 -9.496 0.769 1.00 0.00 H new ATOM 0 HB THR A 82 0.102 -8.671 2.424 1.00 0.00 H new ATOM 0 HG1 THR A 82 -1.317 -6.233 2.606 1.00 0.00 H new ATOM 0 HG21 THR A 82 0.772 -6.661 1.142 1.00 0.00 H new ATOM 0 HG22 THR A 82 0.217 -7.958 0.057 1.00 0.00 H new ATOM 0 HG23 THR A 82 -0.851 -6.581 0.418 1.00 0.00 H new ATOM 1320 N ALA A 83 -3.673 -9.649 2.982 1.00 0.00 N ATOM 1321 CA ALA A 83 -4.234 -10.431 4.119 1.00 0.00 C ATOM 1322 C ALA A 83 -3.588 -11.819 4.144 1.00 0.00 C ATOM 1323 O ALA A 83 -2.897 -12.171 5.079 1.00 0.00 O ATOM 1324 CB ALA A 83 -5.749 -10.570 3.949 1.00 0.00 C ATOM 0 H ALA A 83 -4.359 -9.139 2.425 1.00 0.00 H new ATOM 0 HA ALA A 83 -4.025 -9.915 5.056 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -6.158 -11.142 4.782 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -6.205 -9.580 3.930 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -5.964 -11.086 3.014 1.00 0.00 H new ATOM 1481 N SER B 1 -9.461 -1.866 -13.263 1.00 0.00 N ATOM 1482 CA SER B 1 -9.937 -0.546 -12.763 1.00 0.00 C ATOM 1483 C SER B 1 -8.738 0.302 -12.340 1.00 0.00 C ATOM 1484 O SER B 1 -7.616 0.049 -12.734 1.00 0.00 O ATOM 1485 CB SER B 1 -10.861 -0.755 -11.563 1.00 0.00 C ATOM 1486 OG SER B 1 -10.133 -1.380 -10.513 1.00 0.00 O ATOM 0 H1 SER B 1 -9.986 -2.121 -14.124 1.00 0.00 H new ATOM 0 H2 SER B 1 -8.446 -1.809 -13.481 1.00 0.00 H new ATOM 0 H3 SER B 1 -9.619 -2.591 -12.534 1.00 0.00 H new ATOM 0 HA SER B 1 -10.483 -0.035 -13.556 1.00 0.00 H new ATOM 0 HB2 SER B 1 -11.260 0.202 -11.225 1.00 0.00 H new ATOM 0 HB3 SER B 1 -11.713 -1.372 -11.848 1.00 0.00 H new ATOM 0 HG SER B 1 -10.657 -2.124 -10.149 1.00 0.00 H new ATOM 1492 N GLU B 2 -8.965 1.308 -11.542 1.00 0.00 N ATOM 1493 CA GLU B 2 -7.839 2.173 -11.097 1.00 0.00 C ATOM 1494 C GLU B 2 -7.055 1.467 -9.990 1.00 0.00 C ATOM 1495 O GLU B 2 -5.914 1.091 -10.169 1.00 0.00 O ATOM 1496 CB GLU B 2 -8.395 3.497 -10.567 1.00 0.00 C ATOM 1497 CG GLU B 2 -7.617 4.660 -11.189 1.00 0.00 C ATOM 1498 CD GLU B 2 -8.128 4.916 -12.609 1.00 0.00 C ATOM 1499 OE1 GLU B 2 -9.314 5.157 -12.757 1.00 0.00 O ATOM 1500 OE2 GLU B 2 -7.322 4.867 -13.525 1.00 0.00 O ATOM 0 H GLU B 2 -9.882 1.568 -11.179 1.00 0.00 H new ATOM 0 HA GLU B 2 -7.175 2.368 -11.940 1.00 0.00 H new ATOM 0 HB2 GLU B 2 -9.454 3.582 -10.809 1.00 0.00 H new ATOM 0 HB3 GLU B 2 -8.313 3.530 -9.481 1.00 0.00 H new ATOM 0 HG2 GLU B 2 -7.736 5.557 -10.581 1.00 0.00 H new ATOM 0 HG3 GLU B 2 -6.552 4.429 -11.211 1.00 0.00 H new ATOM 1507 N LEU B 3 -7.655 1.286 -8.849 1.00 0.00 N ATOM 1508 CA LEU B 3 -6.946 0.606 -7.727 1.00 0.00 C ATOM 1509 C LEU B 3 -6.473 -0.776 -8.174 1.00 0.00 C ATOM 1510 O LEU B 3 -5.308 -1.106 -8.102 1.00 0.00 O ATOM 1511 CB LEU B 3 -7.913 0.437 -6.554 1.00 0.00 C ATOM 1512 CG LEU B 3 -7.170 -0.162 -5.357 1.00 0.00 C ATOM 1513 CD1 LEU B 3 -6.354 0.927 -4.660 1.00 0.00 C ATOM 1514 CD2 LEU B 3 -8.186 -0.747 -4.371 1.00 0.00 C ATOM 0 H LEU B 3 -8.610 1.580 -8.642 1.00 0.00 H new ATOM 0 HA LEU B 3 -6.088 1.208 -7.428 1.00 0.00 H new ATOM 0 HB2 LEU B 3 -8.343 1.401 -6.282 1.00 0.00 H new ATOM 0 HB3 LEU B 3 -8.741 -0.211 -6.842 1.00 0.00 H new ATOM 0 HG LEU B 3 -6.500 -0.949 -5.703 1.00 0.00 H new ATOM 0 HD11 LEU B 3 -5.826 0.497 -3.808 1.00 0.00 H new ATOM 0 HD12 LEU B 3 -5.632 1.345 -5.361 1.00 0.00 H new ATOM 0 HD13 LEU B 3 -7.021 1.716 -4.313 1.00 0.00 H new ATOM 0 HD21 LEU B 3 -7.660 -1.174 -3.517 1.00 0.00 H new ATOM 0 HD22 LEU B 3 -8.855 0.042 -4.027 1.00 0.00 H new ATOM 0 HD23 LEU B 3 -8.767 -1.525 -4.866 1.00 0.00 H new ATOM 1526 N GLU B 4 -7.379 -1.589 -8.621 1.00 0.00 N ATOM 1527 CA GLU B 4 -7.004 -2.963 -9.059 1.00 0.00 C ATOM 1528 C GLU B 4 -5.725 -2.917 -9.901 1.00 0.00 C ATOM 1529 O GLU B 4 -4.922 -3.826 -9.873 1.00 0.00 O ATOM 1530 CB GLU B 4 -8.142 -3.560 -9.891 1.00 0.00 C ATOM 1531 CG GLU B 4 -7.922 -5.065 -10.053 1.00 0.00 C ATOM 1532 CD GLU B 4 -7.457 -5.365 -11.479 1.00 0.00 C ATOM 1533 OE1 GLU B 4 -7.883 -4.660 -12.381 1.00 0.00 O ATOM 1534 OE2 GLU B 4 -6.683 -6.294 -11.648 1.00 0.00 O ATOM 0 H GLU B 4 -8.370 -1.364 -8.704 1.00 0.00 H new ATOM 0 HA GLU B 4 -6.828 -3.582 -8.179 1.00 0.00 H new ATOM 0 HB2 GLU B 4 -9.099 -3.372 -9.405 1.00 0.00 H new ATOM 0 HB3 GLU B 4 -8.182 -3.080 -10.869 1.00 0.00 H new ATOM 0 HG2 GLU B 4 -7.178 -5.413 -9.336 1.00 0.00 H new ATOM 0 HG3 GLU B 4 -8.846 -5.603 -9.840 1.00 0.00 H new ATOM 1541 N LYS B 5 -5.530 -1.873 -10.655 1.00 0.00 N ATOM 1542 CA LYS B 5 -4.299 -1.790 -11.497 1.00 0.00 C ATOM 1543 C LYS B 5 -3.110 -1.327 -10.651 1.00 0.00 C ATOM 1544 O LYS B 5 -2.004 -1.807 -10.803 1.00 0.00 O ATOM 1545 CB LYS B 5 -4.528 -0.800 -12.641 1.00 0.00 C ATOM 1546 CG LYS B 5 -3.843 -1.321 -13.908 1.00 0.00 C ATOM 1547 CD LYS B 5 -4.895 -1.898 -14.856 1.00 0.00 C ATOM 1548 CE LYS B 5 -4.388 -1.815 -16.296 1.00 0.00 C ATOM 1549 NZ LYS B 5 -3.791 -3.124 -16.687 1.00 0.00 N ATOM 0 H LYS B 5 -6.163 -1.077 -10.727 1.00 0.00 H new ATOM 0 HA LYS B 5 -4.081 -2.777 -11.904 1.00 0.00 H new ATOM 0 HB2 LYS B 5 -5.596 -0.672 -12.818 1.00 0.00 H new ATOM 0 HB3 LYS B 5 -4.129 0.179 -12.375 1.00 0.00 H new ATOM 0 HG2 LYS B 5 -3.300 -0.513 -14.399 1.00 0.00 H new ATOM 0 HG3 LYS B 5 -3.111 -2.087 -13.650 1.00 0.00 H new ATOM 0 HD2 LYS B 5 -5.106 -2.935 -14.593 1.00 0.00 H new ATOM 0 HD3 LYS B 5 -5.830 -1.347 -14.757 1.00 0.00 H new ATOM 0 HE2 LYS B 5 -5.208 -1.562 -16.968 1.00 0.00 H new ATOM 0 HE3 LYS B 5 -3.645 -1.022 -16.387 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 -3.446 -3.069 -17.666 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 -2.998 -3.347 -16.052 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 -4.512 -3.870 -16.616 1.00 0.00 H new ATOM 1563 N ALA B 6 -3.324 -0.391 -9.768 1.00 0.00 N ATOM 1564 CA ALA B 6 -2.204 0.112 -8.923 1.00 0.00 C ATOM 1565 C ALA B 6 -1.942 -0.859 -7.767 1.00 0.00 C ATOM 1566 O ALA B 6 -0.898 -1.475 -7.685 1.00 0.00 O ATOM 1567 CB ALA B 6 -2.578 1.484 -8.356 1.00 0.00 C ATOM 0 H ALA B 6 -4.228 0.048 -9.595 1.00 0.00 H new ATOM 0 HA ALA B 6 -1.304 0.194 -9.532 1.00 0.00 H new ATOM 0 HB1 ALA B 6 -1.762 1.857 -7.737 1.00 0.00 H new ATOM 0 HB2 ALA B 6 -2.758 2.180 -9.176 1.00 0.00 H new ATOM 0 HB3 ALA B 6 -3.480 1.394 -7.751 1.00 0.00 H new ATOM 1573 N MET B 7 -2.881 -0.992 -6.873 1.00 0.00 N ATOM 1574 CA MET B 7 -2.696 -1.912 -5.717 1.00 0.00 C ATOM 1575 C MET B 7 -2.128 -3.244 -6.201 1.00 0.00 C ATOM 1576 O MET B 7 -1.138 -3.737 -5.692 1.00 0.00 O ATOM 1577 CB MET B 7 -4.053 -2.158 -5.053 1.00 0.00 C ATOM 1578 CG MET B 7 -3.888 -3.174 -3.921 1.00 0.00 C ATOM 1579 SD MET B 7 -3.045 -2.391 -2.524 1.00 0.00 S ATOM 1580 CE MET B 7 -1.394 -3.053 -2.858 1.00 0.00 C ATOM 0 H MET B 7 -3.774 -0.500 -6.894 1.00 0.00 H new ATOM 0 HA MET B 7 -2.005 -1.463 -5.004 1.00 0.00 H new ATOM 0 HB2 MET B 7 -4.454 -1.223 -4.662 1.00 0.00 H new ATOM 0 HB3 MET B 7 -4.768 -2.528 -5.788 1.00 0.00 H new ATOM 0 HG2 MET B 7 -4.863 -3.547 -3.608 1.00 0.00 H new ATOM 0 HG3 MET B 7 -3.315 -4.033 -4.270 1.00 0.00 H new ATOM 0 HE1 MET B 7 -0.931 -3.366 -1.922 1.00 0.00 H new ATOM 0 HE2 MET B 7 -1.474 -3.910 -3.527 1.00 0.00 H new ATOM 0 HE3 MET B 7 -0.781 -2.283 -3.326 1.00 0.00 H new ATOM 1590 N VAL B 8 -2.754 -3.836 -7.175 1.00 0.00 N ATOM 1591 CA VAL B 8 -2.263 -5.144 -7.689 1.00 0.00 C ATOM 1592 C VAL B 8 -0.871 -4.973 -8.306 1.00 0.00 C ATOM 1593 O VAL B 8 -0.008 -5.816 -8.151 1.00 0.00 O ATOM 1594 CB VAL B 8 -3.236 -5.672 -8.743 1.00 0.00 C ATOM 1595 CG1 VAL B 8 -2.823 -7.086 -9.150 1.00 0.00 C ATOM 1596 CG2 VAL B 8 -4.648 -5.705 -8.155 1.00 0.00 C ATOM 0 H VAL B 8 -3.586 -3.471 -7.639 1.00 0.00 H new ATOM 0 HA VAL B 8 -2.199 -5.855 -6.865 1.00 0.00 H new ATOM 0 HB VAL B 8 -3.219 -5.021 -9.617 1.00 0.00 H new ATOM 0 HG11 VAL B 8 -3.515 -7.465 -9.902 1.00 0.00 H new ATOM 0 HG12 VAL B 8 -1.814 -7.066 -9.563 1.00 0.00 H new ATOM 0 HG13 VAL B 8 -2.844 -7.737 -8.276 1.00 0.00 H new ATOM 0 HG21 VAL B 8 -5.345 -6.081 -8.904 1.00 0.00 H new ATOM 0 HG22 VAL B 8 -4.664 -6.359 -7.283 1.00 0.00 H new ATOM 0 HG23 VAL B 8 -4.942 -4.698 -7.858 1.00 0.00 H new ATOM 1606 N ALA B 9 -0.642 -3.893 -8.999 1.00 0.00 N ATOM 1607 CA ALA B 9 0.699 -3.679 -9.617 1.00 0.00 C ATOM 1608 C ALA B 9 1.778 -3.774 -8.537 1.00 0.00 C ATOM 1609 O ALA B 9 2.837 -4.331 -8.753 1.00 0.00 O ATOM 1610 CB ALA B 9 0.746 -2.294 -10.266 1.00 0.00 C ATOM 0 H ALA B 9 -1.322 -3.151 -9.165 1.00 0.00 H new ATOM 0 HA ALA B 9 0.876 -4.441 -10.376 1.00 0.00 H new ATOM 0 HB1 ALA B 9 1.725 -2.137 -10.718 1.00 0.00 H new ATOM 0 HB2 ALA B 9 -0.023 -2.226 -11.035 1.00 0.00 H new ATOM 0 HB3 ALA B 9 0.569 -1.531 -9.508 1.00 0.00 H new ATOM 1616 N LEU B 10 1.521 -3.240 -7.374 1.00 0.00 N ATOM 1617 CA LEU B 10 2.538 -3.310 -6.288 1.00 0.00 C ATOM 1618 C LEU B 10 2.868 -4.776 -6.005 1.00 0.00 C ATOM 1619 O LEU B 10 4.019 -5.163 -5.938 1.00 0.00 O ATOM 1620 CB LEU B 10 1.989 -2.652 -5.020 1.00 0.00 C ATOM 1621 CG LEU B 10 3.037 -1.695 -4.451 1.00 0.00 C ATOM 1622 CD1 LEU B 10 2.342 -0.562 -3.695 1.00 0.00 C ATOM 1623 CD2 LEU B 10 3.957 -2.457 -3.493 1.00 0.00 C ATOM 0 H LEU B 10 0.654 -2.760 -7.130 1.00 0.00 H new ATOM 0 HA LEU B 10 3.440 -2.783 -6.599 1.00 0.00 H new ATOM 0 HB2 LEU B 10 1.071 -2.110 -5.246 1.00 0.00 H new ATOM 0 HB3 LEU B 10 1.737 -3.413 -4.282 1.00 0.00 H new ATOM 0 HG LEU B 10 3.626 -1.277 -5.268 1.00 0.00 H new ATOM 0 HD11 LEU B 10 3.091 0.119 -3.290 1.00 0.00 H new ATOM 0 HD12 LEU B 10 1.688 -0.018 -4.376 1.00 0.00 H new ATOM 0 HD13 LEU B 10 1.751 -0.978 -2.879 1.00 0.00 H new ATOM 0 HD21 LEU B 10 4.704 -1.775 -3.087 1.00 0.00 H new ATOM 0 HD22 LEU B 10 3.367 -2.876 -2.678 1.00 0.00 H new ATOM 0 HD23 LEU B 10 4.456 -3.263 -4.031 1.00 0.00 H new ATOM 1635 N ILE B 11 1.868 -5.599 -5.850 1.00 0.00 N ATOM 1636 CA ILE B 11 2.132 -7.042 -5.585 1.00 0.00 C ATOM 1637 C ILE B 11 3.103 -7.563 -6.649 1.00 0.00 C ATOM 1638 O ILE B 11 3.903 -8.444 -6.400 1.00 0.00 O ATOM 1639 CB ILE B 11 0.812 -7.824 -5.651 1.00 0.00 C ATOM 1640 CG1 ILE B 11 0.066 -7.680 -4.321 1.00 0.00 C ATOM 1641 CG2 ILE B 11 1.093 -9.308 -5.909 1.00 0.00 C ATOM 1642 CD1 ILE B 11 -0.439 -6.242 -4.162 1.00 0.00 C ATOM 0 H ILE B 11 0.883 -5.337 -5.895 1.00 0.00 H new ATOM 0 HA ILE B 11 2.568 -7.170 -4.594 1.00 0.00 H new ATOM 0 HB ILE B 11 0.204 -7.425 -6.463 1.00 0.00 H new ATOM 0 HG12 ILE B 11 -0.773 -8.375 -4.287 1.00 0.00 H new ATOM 0 HG13 ILE B 11 0.727 -7.937 -3.493 1.00 0.00 H new ATOM 0 HG21 ILE B 11 0.151 -9.854 -5.954 1.00 0.00 H new ATOM 0 HG22 ILE B 11 1.622 -9.419 -6.855 1.00 0.00 H new ATOM 0 HG23 ILE B 11 1.706 -9.708 -5.101 1.00 0.00 H new ATOM 0 HD11 ILE B 11 -0.969 -6.145 -3.214 1.00 0.00 H new ATOM 0 HD12 ILE B 11 0.407 -5.555 -4.176 1.00 0.00 H new ATOM 0 HD13 ILE B 11 -1.115 -6.001 -4.982 1.00 0.00 H new ATOM 1654 N ASP B 12 3.032 -7.021 -7.833 1.00 0.00 N ATOM 1655 CA ASP B 12 3.942 -7.474 -8.922 1.00 0.00 C ATOM 1656 C ASP B 12 5.396 -7.228 -8.516 1.00 0.00 C ATOM 1657 O ASP B 12 6.202 -8.137 -8.465 1.00 0.00 O ATOM 1658 CB ASP B 12 3.629 -6.686 -10.196 1.00 0.00 C ATOM 1659 CG ASP B 12 4.343 -7.331 -11.386 1.00 0.00 C ATOM 1660 OD1 ASP B 12 4.337 -8.549 -11.467 1.00 0.00 O ATOM 1661 OD2 ASP B 12 4.884 -6.597 -12.195 1.00 0.00 O ATOM 0 H ASP B 12 2.380 -6.281 -8.094 1.00 0.00 H new ATOM 0 HA ASP B 12 3.795 -8.539 -9.100 1.00 0.00 H new ATOM 0 HB2 ASP B 12 2.553 -6.669 -10.370 1.00 0.00 H new ATOM 0 HB3 ASP B 12 3.950 -5.651 -10.084 1.00 0.00 H new ATOM 1666 N VAL B 13 5.737 -6.001 -8.233 1.00 0.00 N ATOM 1667 CA VAL B 13 7.140 -5.687 -7.835 1.00 0.00 C ATOM 1668 C VAL B 13 7.619 -6.685 -6.780 1.00 0.00 C ATOM 1669 O VAL B 13 8.744 -7.139 -6.808 1.00 0.00 O ATOM 1670 CB VAL B 13 7.201 -4.274 -7.251 1.00 0.00 C ATOM 1671 CG1 VAL B 13 8.565 -4.050 -6.599 1.00 0.00 C ATOM 1672 CG2 VAL B 13 7.003 -3.248 -8.366 1.00 0.00 C ATOM 0 H VAL B 13 5.105 -5.201 -8.260 1.00 0.00 H new ATOM 0 HA VAL B 13 7.781 -5.753 -8.714 1.00 0.00 H new ATOM 0 HB VAL B 13 6.414 -4.159 -6.506 1.00 0.00 H new ATOM 0 HG11 VAL B 13 8.609 -3.043 -6.183 1.00 0.00 H new ATOM 0 HG12 VAL B 13 8.711 -4.779 -5.802 1.00 0.00 H new ATOM 0 HG13 VAL B 13 9.349 -4.168 -7.347 1.00 0.00 H new ATOM 0 HG21 VAL B 13 7.047 -2.243 -7.947 1.00 0.00 H new ATOM 0 HG22 VAL B 13 7.789 -3.365 -9.112 1.00 0.00 H new ATOM 0 HG23 VAL B 13 6.032 -3.404 -8.835 1.00 0.00 H new ATOM 1682 N PHE B 14 6.780 -7.020 -5.841 1.00 0.00 N ATOM 1683 CA PHE B 14 7.199 -7.976 -4.777 1.00 0.00 C ATOM 1684 C PHE B 14 7.575 -9.325 -5.398 1.00 0.00 C ATOM 1685 O PHE B 14 8.655 -9.838 -5.181 1.00 0.00 O ATOM 1686 CB PHE B 14 6.050 -8.172 -3.789 1.00 0.00 C ATOM 1687 CG PHE B 14 6.543 -8.968 -2.606 1.00 0.00 C ATOM 1688 CD1 PHE B 14 6.771 -10.343 -2.735 1.00 0.00 C ATOM 1689 CD2 PHE B 14 6.774 -8.332 -1.381 1.00 0.00 C ATOM 1690 CE1 PHE B 14 7.229 -11.084 -1.639 1.00 0.00 C ATOM 1691 CE2 PHE B 14 7.233 -9.072 -0.284 1.00 0.00 C ATOM 1692 CZ PHE B 14 7.460 -10.448 -0.413 1.00 0.00 C ATOM 0 H PHE B 14 5.823 -6.674 -5.763 1.00 0.00 H new ATOM 0 HA PHE B 14 8.067 -7.571 -4.256 1.00 0.00 H new ATOM 0 HB2 PHE B 14 5.670 -7.205 -3.459 1.00 0.00 H new ATOM 0 HB3 PHE B 14 5.223 -8.692 -4.273 1.00 0.00 H new ATOM 0 HD1 PHE B 14 6.593 -10.833 -3.681 1.00 0.00 H new ATOM 0 HD2 PHE B 14 6.598 -7.271 -1.282 1.00 0.00 H new ATOM 0 HE1 PHE B 14 7.404 -12.145 -1.739 1.00 0.00 H new ATOM 0 HE2 PHE B 14 7.412 -8.582 0.661 1.00 0.00 H new ATOM 0 HZ PHE B 14 7.813 -11.019 0.433 1.00 0.00 H new ATOM 1702 N HIS B 15 6.693 -9.906 -6.163 1.00 0.00 N ATOM 1703 CA HIS B 15 7.004 -11.225 -6.786 1.00 0.00 C ATOM 1704 C HIS B 15 8.083 -11.055 -7.858 1.00 0.00 C ATOM 1705 O HIS B 15 8.554 -12.014 -8.436 1.00 0.00 O ATOM 1706 CB HIS B 15 5.738 -11.796 -7.428 1.00 0.00 C ATOM 1707 CG HIS B 15 5.886 -13.284 -7.581 1.00 0.00 C ATOM 1708 ND1 HIS B 15 5.036 -14.033 -8.378 1.00 0.00 N ATOM 1709 CD2 HIS B 15 6.783 -14.177 -7.046 1.00 0.00 C ATOM 1710 CE1 HIS B 15 5.434 -15.316 -8.301 1.00 0.00 C ATOM 1711 NE2 HIS B 15 6.496 -15.460 -7.503 1.00 0.00 N ATOM 0 H HIS B 15 5.772 -9.527 -6.384 1.00 0.00 H new ATOM 0 HA HIS B 15 7.367 -11.907 -6.017 1.00 0.00 H new ATOM 0 HB2 HIS B 15 4.869 -11.567 -6.811 1.00 0.00 H new ATOM 0 HB3 HIS B 15 5.570 -11.334 -8.401 1.00 0.00 H new ATOM 0 HD2 HIS B 15 7.588 -13.922 -6.373 1.00 0.00 H new ATOM 0 HE1 HIS B 15 4.953 -16.131 -8.821 1.00 0.00 H new ATOM 0 HE2 HIS B 15 6.990 -16.324 -7.277 1.00 0.00 H new ATOM 1719 N GLN B 16 8.480 -9.842 -8.130 1.00 0.00 N ATOM 1720 CA GLN B 16 9.527 -9.617 -9.167 1.00 0.00 C ATOM 1721 C GLN B 16 10.910 -9.621 -8.512 1.00 0.00 C ATOM 1722 O GLN B 16 11.856 -10.174 -9.038 1.00 0.00 O ATOM 1723 CB GLN B 16 9.289 -8.265 -9.841 1.00 0.00 C ATOM 1724 CG GLN B 16 9.276 -8.445 -11.359 1.00 0.00 C ATOM 1725 CD GLN B 16 7.875 -8.855 -11.813 1.00 0.00 C ATOM 1726 OE1 GLN B 16 7.000 -8.024 -11.958 1.00 0.00 O ATOM 1727 NE2 GLN B 16 7.621 -10.114 -12.044 1.00 0.00 N ATOM 0 H GLN B 16 8.125 -8.998 -7.680 1.00 0.00 H new ATOM 0 HA GLN B 16 9.477 -10.412 -9.911 1.00 0.00 H new ATOM 0 HB2 GLN B 16 8.342 -7.842 -9.507 1.00 0.00 H new ATOM 0 HB3 GLN B 16 10.071 -7.562 -9.555 1.00 0.00 H new ATOM 0 HG2 GLN B 16 9.571 -7.517 -11.848 1.00 0.00 H new ATOM 0 HG3 GLN B 16 10.001 -9.204 -11.652 1.00 0.00 H new ATOM 0 HE21 GLN B 16 8.354 -10.813 -11.923 1.00 0.00 H new ATOM 0 HE22 GLN B 16 6.689 -10.399 -12.346 1.00 0.00 H new ATOM 1736 N TYR B 17 11.036 -9.002 -7.371 1.00 0.00 N ATOM 1737 CA TYR B 17 12.359 -8.958 -6.684 1.00 0.00 C ATOM 1738 C TYR B 17 12.626 -10.289 -5.974 1.00 0.00 C ATOM 1739 O TYR B 17 13.641 -10.923 -6.189 1.00 0.00 O ATOM 1740 CB TYR B 17 12.355 -7.823 -5.656 1.00 0.00 C ATOM 1741 CG TYR B 17 12.592 -6.506 -6.356 1.00 0.00 C ATOM 1742 CD1 TYR B 17 11.602 -5.965 -7.186 1.00 0.00 C ATOM 1743 CD2 TYR B 17 13.801 -5.823 -6.175 1.00 0.00 C ATOM 1744 CE1 TYR B 17 11.819 -4.742 -7.833 1.00 0.00 C ATOM 1745 CE2 TYR B 17 14.018 -4.601 -6.822 1.00 0.00 C ATOM 1746 CZ TYR B 17 13.028 -4.061 -7.651 1.00 0.00 C ATOM 1747 OH TYR B 17 13.244 -2.856 -8.290 1.00 0.00 O ATOM 0 H TYR B 17 10.279 -8.524 -6.883 1.00 0.00 H new ATOM 0 HA TYR B 17 13.142 -8.786 -7.422 1.00 0.00 H new ATOM 0 HB2 TYR B 17 11.401 -7.800 -5.128 1.00 0.00 H new ATOM 0 HB3 TYR B 17 13.129 -7.993 -4.908 1.00 0.00 H new ATOM 0 HD1 TYR B 17 10.670 -6.492 -7.327 1.00 0.00 H new ATOM 0 HD2 TYR B 17 14.566 -6.239 -5.536 1.00 0.00 H new ATOM 0 HE1 TYR B 17 11.054 -4.325 -8.472 1.00 0.00 H new ATOM 0 HE2 TYR B 17 14.950 -4.074 -6.681 1.00 0.00 H new ATOM 0 HH TYR B 17 12.385 -2.416 -8.457 1.00 0.00 H new ATOM 1757 N SER B 18 11.731 -10.715 -5.124 1.00 0.00 N ATOM 1758 CA SER B 18 11.948 -12.002 -4.400 1.00 0.00 C ATOM 1759 C SER B 18 11.420 -13.167 -5.242 1.00 0.00 C ATOM 1760 O SER B 18 11.167 -14.243 -4.738 1.00 0.00 O ATOM 1761 CB SER B 18 11.212 -11.962 -3.059 1.00 0.00 C ATOM 1762 OG SER B 18 10.981 -13.290 -2.610 1.00 0.00 O ATOM 0 H SER B 18 10.862 -10.230 -4.900 1.00 0.00 H new ATOM 0 HA SER B 18 13.015 -12.142 -4.226 1.00 0.00 H new ATOM 0 HB2 SER B 18 11.802 -11.415 -2.324 1.00 0.00 H new ATOM 0 HB3 SER B 18 10.265 -11.432 -3.166 1.00 0.00 H new ATOM 0 HG SER B 18 11.530 -13.912 -3.132 1.00 0.00 H new ATOM 1855 N HIS B 25 8.484 -15.432 -1.361 1.00 0.00 N ATOM 1856 CA HIS B 25 7.692 -15.249 -0.112 1.00 0.00 C ATOM 1857 C HIS B 25 8.519 -14.484 0.937 1.00 0.00 C ATOM 1858 O HIS B 25 8.101 -14.318 2.066 1.00 0.00 O ATOM 1859 CB HIS B 25 7.292 -16.638 0.414 1.00 0.00 C ATOM 1860 CG HIS B 25 6.973 -16.589 1.886 1.00 0.00 C ATOM 1861 ND1 HIS B 25 5.677 -16.452 2.360 1.00 0.00 N ATOM 1862 CD2 HIS B 25 7.772 -16.679 3.001 1.00 0.00 C ATOM 1863 CE1 HIS B 25 5.733 -16.464 3.704 1.00 0.00 C ATOM 1864 NE2 HIS B 25 6.986 -16.601 4.148 1.00 0.00 N ATOM 0 HA HIS B 25 6.796 -14.663 -0.317 1.00 0.00 H new ATOM 0 HB2 HIS B 25 6.425 -17.003 -0.137 1.00 0.00 H new ATOM 0 HB3 HIS B 25 8.103 -17.345 0.238 1.00 0.00 H new ATOM 0 HD2 HIS B 25 8.846 -16.793 2.989 1.00 0.00 H new ATOM 0 HE1 HIS B 25 4.870 -16.374 4.347 1.00 0.00 H new ATOM 0 HE2 HIS B 25 7.299 -16.640 5.118 1.00 0.00 H new ATOM 1872 N LYS B 26 9.681 -14.003 0.579 1.00 0.00 N ATOM 1873 CA LYS B 26 10.502 -13.252 1.575 1.00 0.00 C ATOM 1874 C LYS B 26 11.367 -12.210 0.860 1.00 0.00 C ATOM 1875 O LYS B 26 11.821 -12.418 -0.247 1.00 0.00 O ATOM 1876 CB LYS B 26 11.405 -14.229 2.336 1.00 0.00 C ATOM 1877 CG LYS B 26 11.783 -15.401 1.427 1.00 0.00 C ATOM 1878 CD LYS B 26 13.174 -15.915 1.808 1.00 0.00 C ATOM 1879 CE LYS B 26 13.056 -16.887 2.983 1.00 0.00 C ATOM 1880 NZ LYS B 26 14.231 -17.806 2.989 1.00 0.00 N ATOM 0 H LYS B 26 10.094 -14.096 -0.349 1.00 0.00 H new ATOM 0 HA LYS B 26 9.838 -12.746 2.276 1.00 0.00 H new ATOM 0 HB2 LYS B 26 12.305 -13.717 2.677 1.00 0.00 H new ATOM 0 HB3 LYS B 26 10.891 -14.597 3.224 1.00 0.00 H new ATOM 0 HG2 LYS B 26 11.049 -16.201 1.523 1.00 0.00 H new ATOM 0 HG3 LYS B 26 11.774 -15.084 0.384 1.00 0.00 H new ATOM 0 HD2 LYS B 26 13.635 -16.413 0.955 1.00 0.00 H new ATOM 0 HD3 LYS B 26 13.821 -15.080 2.077 1.00 0.00 H new ATOM 0 HE2 LYS B 26 13.008 -16.335 3.922 1.00 0.00 H new ATOM 0 HE3 LYS B 26 12.133 -17.461 2.903 1.00 0.00 H new ATOM 0 HZ1 LYS B 26 14.151 -18.467 3.788 1.00 0.00 H new ATOM 0 HZ2 LYS B 26 14.257 -18.342 2.098 1.00 0.00 H new ATOM 0 HZ3 LYS B 26 15.105 -17.251 3.085 1.00 0.00 H new ATOM 1894 N LEU B 27 11.603 -11.092 1.494 1.00 0.00 N ATOM 1895 CA LEU B 27 12.447 -10.034 0.869 1.00 0.00 C ATOM 1896 C LEU B 27 13.543 -9.626 1.852 1.00 0.00 C ATOM 1897 O LEU B 27 13.937 -10.392 2.711 1.00 0.00 O ATOM 1898 CB LEU B 27 11.588 -8.811 0.531 1.00 0.00 C ATOM 1899 CG LEU B 27 12.047 -8.216 -0.802 1.00 0.00 C ATOM 1900 CD1 LEU B 27 11.397 -8.980 -1.958 1.00 0.00 C ATOM 1901 CD2 LEU B 27 11.638 -6.741 -0.869 1.00 0.00 C ATOM 0 H LEU B 27 11.245 -10.866 2.422 1.00 0.00 H new ATOM 0 HA LEU B 27 12.893 -10.421 -0.047 1.00 0.00 H new ATOM 0 HB2 LEU B 27 10.538 -9.097 0.471 1.00 0.00 H new ATOM 0 HB3 LEU B 27 11.671 -8.065 1.322 1.00 0.00 H new ATOM 0 HG LEU B 27 13.131 -8.298 -0.881 1.00 0.00 H new ATOM 0 HD11 LEU B 27 11.726 -8.554 -2.906 1.00 0.00 H new ATOM 0 HD12 LEU B 27 11.689 -10.029 -1.911 1.00 0.00 H new ATOM 0 HD13 LEU B 27 10.312 -8.902 -1.882 1.00 0.00 H new ATOM 0 HD21 LEU B 27 11.964 -6.316 -1.818 1.00 0.00 H new ATOM 0 HD22 LEU B 27 10.554 -6.660 -0.789 1.00 0.00 H new ATOM 0 HD23 LEU B 27 12.104 -6.196 -0.048 1.00 0.00 H new ATOM 1913 N LYS B 28 14.037 -8.425 1.739 1.00 0.00 N ATOM 1914 CA LYS B 28 15.106 -7.973 2.673 1.00 0.00 C ATOM 1915 C LYS B 28 14.951 -6.477 2.943 1.00 0.00 C ATOM 1916 O LYS B 28 14.308 -5.764 2.196 1.00 0.00 O ATOM 1917 CB LYS B 28 16.475 -8.239 2.045 1.00 0.00 C ATOM 1918 CG LYS B 28 17.112 -9.463 2.706 1.00 0.00 C ATOM 1919 CD LYS B 28 18.080 -10.127 1.725 1.00 0.00 C ATOM 1920 CE LYS B 28 19.511 -9.686 2.044 1.00 0.00 C ATOM 1921 NZ LYS B 28 20.451 -10.300 1.064 1.00 0.00 N ATOM 0 H LYS B 28 13.748 -7.738 1.042 1.00 0.00 H new ATOM 0 HA LYS B 28 15.023 -8.520 3.612 1.00 0.00 H new ATOM 0 HB2 LYS B 28 16.369 -8.406 0.973 1.00 0.00 H new ATOM 0 HB3 LYS B 28 17.119 -7.369 2.170 1.00 0.00 H new ATOM 0 HG2 LYS B 28 17.642 -9.166 3.611 1.00 0.00 H new ATOM 0 HG3 LYS B 28 16.339 -10.171 3.006 1.00 0.00 H new ATOM 0 HD2 LYS B 28 17.998 -11.212 1.795 1.00 0.00 H new ATOM 0 HD3 LYS B 28 17.823 -9.853 0.702 1.00 0.00 H new ATOM 0 HE2 LYS B 28 19.585 -8.599 2.004 1.00 0.00 H new ATOM 0 HE3 LYS B 28 19.778 -9.986 3.057 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 21.423 -10.000 1.281 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 20.387 -11.336 1.124 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 20.200 -9.992 0.103 1.00 0.00 H new ATOM 1935 N LYS B 29 15.538 -5.994 4.003 1.00 0.00 N ATOM 1936 CA LYS B 29 15.427 -4.543 4.317 1.00 0.00 C ATOM 1937 C LYS B 29 16.361 -3.761 3.397 1.00 0.00 C ATOM 1938 O LYS B 29 16.214 -2.571 3.214 1.00 0.00 O ATOM 1939 CB LYS B 29 15.822 -4.302 5.773 1.00 0.00 C ATOM 1940 CG LYS B 29 15.107 -5.309 6.672 1.00 0.00 C ATOM 1941 CD LYS B 29 15.764 -5.306 8.050 1.00 0.00 C ATOM 1942 CE LYS B 29 14.943 -4.436 9.003 1.00 0.00 C ATOM 1943 NZ LYS B 29 13.877 -5.263 9.634 1.00 0.00 N ATOM 0 H LYS B 29 16.089 -6.541 4.664 1.00 0.00 H new ATOM 0 HA LYS B 29 14.400 -4.212 4.165 1.00 0.00 H new ATOM 0 HB2 LYS B 29 16.902 -4.399 5.888 1.00 0.00 H new ATOM 0 HB3 LYS B 29 15.560 -3.286 6.068 1.00 0.00 H new ATOM 0 HG2 LYS B 29 14.051 -5.052 6.759 1.00 0.00 H new ATOM 0 HG3 LYS B 29 15.157 -6.306 6.234 1.00 0.00 H new ATOM 0 HD2 LYS B 29 15.831 -6.323 8.435 1.00 0.00 H new ATOM 0 HD3 LYS B 29 16.783 -4.925 7.978 1.00 0.00 H new ATOM 0 HE2 LYS B 29 15.589 -4.008 9.770 1.00 0.00 H new ATOM 0 HE3 LYS B 29 14.498 -3.602 8.460 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 13.008 -4.699 9.725 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 13.688 -6.097 9.042 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 14.189 -5.572 10.577 1.00 0.00 H new ATOM 1957 N SER B 30 17.321 -4.424 2.814 1.00 0.00 N ATOM 1958 CA SER B 30 18.261 -3.723 1.895 1.00 0.00 C ATOM 1959 C SER B 30 17.596 -3.569 0.525 1.00 0.00 C ATOM 1960 O SER B 30 17.624 -2.512 -0.075 1.00 0.00 O ATOM 1961 CB SER B 30 19.549 -4.536 1.755 1.00 0.00 C ATOM 1962 OG SER B 30 20.185 -4.201 0.529 1.00 0.00 O ATOM 0 H SER B 30 17.495 -5.422 2.934 1.00 0.00 H new ATOM 0 HA SER B 30 18.505 -2.740 2.298 1.00 0.00 H new ATOM 0 HB2 SER B 30 20.216 -4.329 2.592 1.00 0.00 H new ATOM 0 HB3 SER B 30 19.324 -5.602 1.782 1.00 0.00 H new ATOM 0 HG SER B 30 21.012 -4.719 0.437 1.00 0.00 H new ATOM 1968 N GLU B 31 16.983 -4.612 0.033 1.00 0.00 N ATOM 1969 CA GLU B 31 16.300 -4.521 -1.285 1.00 0.00 C ATOM 1970 C GLU B 31 14.965 -3.815 -1.078 1.00 0.00 C ATOM 1971 O GLU B 31 14.396 -3.266 -1.996 1.00 0.00 O ATOM 1972 CB GLU B 31 16.068 -5.925 -1.846 1.00 0.00 C ATOM 1973 CG GLU B 31 15.828 -5.838 -3.355 1.00 0.00 C ATOM 1974 CD GLU B 31 16.985 -6.510 -4.099 1.00 0.00 C ATOM 1975 OE1 GLU B 31 17.392 -7.580 -3.679 1.00 0.00 O ATOM 1976 OE2 GLU B 31 17.444 -5.942 -5.077 1.00 0.00 O ATOM 0 H GLU B 31 16.927 -5.523 0.489 1.00 0.00 H new ATOM 0 HA GLU B 31 16.914 -3.964 -1.993 1.00 0.00 H new ATOM 0 HB2 GLU B 31 16.931 -6.558 -1.640 1.00 0.00 H new ATOM 0 HB3 GLU B 31 15.210 -6.387 -1.357 1.00 0.00 H new ATOM 0 HG2 GLU B 31 14.886 -6.323 -3.612 1.00 0.00 H new ATOM 0 HG3 GLU B 31 15.743 -4.795 -3.660 1.00 0.00 H new ATOM 1983 N LEU B 32 14.475 -3.807 0.136 1.00 0.00 N ATOM 1984 CA LEU B 32 13.194 -3.106 0.415 1.00 0.00 C ATOM 1985 C LEU B 32 13.496 -1.609 0.500 1.00 0.00 C ATOM 1986 O LEU B 32 12.802 -0.789 -0.067 1.00 0.00 O ATOM 1987 CB LEU B 32 12.613 -3.598 1.745 1.00 0.00 C ATOM 1988 CG LEU B 32 11.558 -2.608 2.256 1.00 0.00 C ATOM 1989 CD1 LEU B 32 10.646 -2.173 1.106 1.00 0.00 C ATOM 1990 CD2 LEU B 32 10.717 -3.280 3.344 1.00 0.00 C ATOM 0 H LEU B 32 14.909 -4.256 0.942 1.00 0.00 H new ATOM 0 HA LEU B 32 12.467 -3.305 -0.372 1.00 0.00 H new ATOM 0 HB2 LEU B 32 12.165 -4.583 1.613 1.00 0.00 H new ATOM 0 HB3 LEU B 32 13.409 -3.706 2.481 1.00 0.00 H new ATOM 0 HG LEU B 32 12.060 -1.731 2.665 1.00 0.00 H new ATOM 0 HD11 LEU B 32 9.901 -1.470 1.479 1.00 0.00 H new ATOM 0 HD12 LEU B 32 11.242 -1.692 0.331 1.00 0.00 H new ATOM 0 HD13 LEU B 32 10.145 -3.046 0.689 1.00 0.00 H new ATOM 0 HD21 LEU B 32 9.967 -2.579 3.709 1.00 0.00 H new ATOM 0 HD22 LEU B 32 10.222 -4.159 2.930 1.00 0.00 H new ATOM 0 HD23 LEU B 32 11.363 -3.582 4.169 1.00 0.00 H new ATOM 2002 N LYS B 33 14.556 -1.258 1.179 1.00 0.00 N ATOM 2003 CA LYS B 33 14.943 0.176 1.280 1.00 0.00 C ATOM 2004 C LYS B 33 15.233 0.674 -0.121 1.00 0.00 C ATOM 2005 O LYS B 33 14.839 1.747 -0.516 1.00 0.00 O ATOM 2006 CB LYS B 33 16.217 0.302 2.113 1.00 0.00 C ATOM 2007 CG LYS B 33 16.479 1.775 2.432 1.00 0.00 C ATOM 2008 CD LYS B 33 17.750 2.226 1.709 1.00 0.00 C ATOM 2009 CE LYS B 33 17.945 3.730 1.902 1.00 0.00 C ATOM 2010 NZ LYS B 33 18.945 3.966 2.981 1.00 0.00 N ATOM 0 H LYS B 33 15.172 -1.907 1.669 1.00 0.00 H new ATOM 0 HA LYS B 33 14.144 0.752 1.747 1.00 0.00 H new ATOM 0 HB2 LYS B 33 16.117 -0.268 3.037 1.00 0.00 H new ATOM 0 HB3 LYS B 33 17.062 -0.118 1.568 1.00 0.00 H new ATOM 0 HG2 LYS B 33 15.632 2.384 2.118 1.00 0.00 H new ATOM 0 HG3 LYS B 33 16.589 1.913 3.508 1.00 0.00 H new ATOM 0 HD2 LYS B 33 18.613 1.685 2.097 1.00 0.00 H new ATOM 0 HD3 LYS B 33 17.679 1.992 0.647 1.00 0.00 H new ATOM 0 HE2 LYS B 33 18.283 4.186 0.972 1.00 0.00 H new ATOM 0 HE3 LYS B 33 16.996 4.200 2.161 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 19.078 4.989 3.113 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 18.604 3.544 3.868 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 19.851 3.530 2.716 1.00 0.00 H new ATOM 2024 N GLU B 34 15.924 -0.125 -0.871 1.00 0.00 N ATOM 2025 CA GLU B 34 16.265 0.246 -2.267 1.00 0.00 C ATOM 2026 C GLU B 34 14.989 0.248 -3.104 1.00 0.00 C ATOM 2027 O GLU B 34 14.826 1.032 -4.018 1.00 0.00 O ATOM 2028 CB GLU B 34 17.244 -0.796 -2.815 1.00 0.00 C ATOM 2029 CG GLU B 34 18.659 -0.227 -2.799 1.00 0.00 C ATOM 2030 CD GLU B 34 19.210 -0.184 -4.225 1.00 0.00 C ATOM 2031 OE1 GLU B 34 19.801 -1.168 -4.641 1.00 0.00 O ATOM 2032 OE2 GLU B 34 19.032 0.832 -4.877 1.00 0.00 O ATOM 0 H GLU B 34 16.274 -1.036 -0.573 1.00 0.00 H new ATOM 0 HA GLU B 34 16.719 1.236 -2.303 1.00 0.00 H new ATOM 0 HB2 GLU B 34 17.199 -1.704 -2.213 1.00 0.00 H new ATOM 0 HB3 GLU B 34 16.964 -1.073 -3.831 1.00 0.00 H new ATOM 0 HG2 GLU B 34 18.654 0.775 -2.370 1.00 0.00 H new ATOM 0 HG3 GLU B 34 19.302 -0.841 -2.168 1.00 0.00 H new ATOM 2039 N LEU B 35 14.079 -0.623 -2.782 1.00 0.00 N ATOM 2040 CA LEU B 35 12.795 -0.685 -3.532 1.00 0.00 C ATOM 2041 C LEU B 35 12.101 0.676 -3.440 1.00 0.00 C ATOM 2042 O LEU B 35 11.527 1.161 -4.395 1.00 0.00 O ATOM 2043 CB LEU B 35 11.903 -1.763 -2.906 1.00 0.00 C ATOM 2044 CG LEU B 35 11.227 -2.583 -4.009 1.00 0.00 C ATOM 2045 CD1 LEU B 35 10.510 -1.646 -4.984 1.00 0.00 C ATOM 2046 CD2 LEU B 35 12.284 -3.394 -4.762 1.00 0.00 C ATOM 0 H LEU B 35 14.169 -1.301 -2.025 1.00 0.00 H new ATOM 0 HA LEU B 35 12.981 -0.930 -4.578 1.00 0.00 H new ATOM 0 HB2 LEU B 35 12.499 -2.416 -2.268 1.00 0.00 H new ATOM 0 HB3 LEU B 35 11.148 -1.299 -2.271 1.00 0.00 H new ATOM 0 HG LEU B 35 10.500 -3.260 -3.561 1.00 0.00 H new ATOM 0 HD11 LEU B 35 10.031 -2.233 -5.767 1.00 0.00 H new ATOM 0 HD12 LEU B 35 9.755 -1.071 -4.448 1.00 0.00 H new ATOM 0 HD13 LEU B 35 11.233 -0.965 -5.433 1.00 0.00 H new ATOM 0 HD21 LEU B 35 11.804 -3.978 -5.547 1.00 0.00 H new ATOM 0 HD22 LEU B 35 13.013 -2.717 -5.208 1.00 0.00 H new ATOM 0 HD23 LEU B 35 12.790 -4.066 -4.068 1.00 0.00 H new ATOM 2058 N ILE B 36 12.150 1.293 -2.288 1.00 0.00 N ATOM 2059 CA ILE B 36 11.494 2.623 -2.118 1.00 0.00 C ATOM 2060 C ILE B 36 12.396 3.735 -2.661 1.00 0.00 C ATOM 2061 O ILE B 36 12.019 4.482 -3.535 1.00 0.00 O ATOM 2062 CB ILE B 36 11.232 2.884 -0.631 1.00 0.00 C ATOM 2063 CG1 ILE B 36 11.051 1.551 0.109 1.00 0.00 C ATOM 2064 CG2 ILE B 36 9.968 3.740 -0.485 1.00 0.00 C ATOM 2065 CD1 ILE B 36 10.334 1.788 1.442 1.00 0.00 C ATOM 0 H ILE B 36 12.617 0.932 -1.456 1.00 0.00 H new ATOM 0 HA ILE B 36 10.553 2.617 -2.669 1.00 0.00 H new ATOM 0 HB ILE B 36 12.081 3.413 -0.198 1.00 0.00 H new ATOM 0 HG12 ILE B 36 10.475 0.859 -0.506 1.00 0.00 H new ATOM 0 HG13 ILE B 36 12.022 1.088 0.286 1.00 0.00 H new ATOM 0 HG21 ILE B 36 9.777 3.929 0.571 1.00 0.00 H new ATOM 0 HG22 ILE B 36 10.109 4.688 -1.004 1.00 0.00 H new ATOM 0 HG23 ILE B 36 9.119 3.212 -0.919 1.00 0.00 H new ATOM 0 HD11 ILE B 36 10.209 0.838 1.962 1.00 0.00 H new ATOM 0 HD12 ILE B 36 10.927 2.464 2.059 1.00 0.00 H new ATOM 0 HD13 ILE B 36 9.356 2.231 1.255 1.00 0.00 H new ATOM 2077 N ASN B 37 13.580 3.862 -2.128 1.00 0.00 N ATOM 2078 CA ASN B 37 14.505 4.943 -2.579 1.00 0.00 C ATOM 2079 C ASN B 37 14.855 4.806 -4.067 1.00 0.00 C ATOM 2080 O ASN B 37 15.549 5.637 -4.617 1.00 0.00 O ATOM 2081 CB ASN B 37 15.792 4.874 -1.754 1.00 0.00 C ATOM 2082 CG ASN B 37 16.475 6.242 -1.761 1.00 0.00 C ATOM 2083 OD1 ASN B 37 17.506 6.414 -2.380 1.00 0.00 O ATOM 2084 ND2 ASN B 37 15.941 7.229 -1.094 1.00 0.00 N ATOM 0 H ASN B 37 13.950 3.259 -1.393 1.00 0.00 H new ATOM 0 HA ASN B 37 14.004 5.900 -2.436 1.00 0.00 H new ATOM 0 HB2 ASN B 37 15.565 4.574 -0.731 1.00 0.00 H new ATOM 0 HB3 ASN B 37 16.461 4.119 -2.167 1.00 0.00 H new ATOM 0 HD21 ASN B 37 16.389 8.145 -1.092 1.00 0.00 H new ATOM 0 HD22 ASN B 37 15.075 7.084 -0.574 1.00 0.00 H new ATOM 2091 N ASN B 38 14.401 3.778 -4.726 1.00 0.00 N ATOM 2092 CA ASN B 38 14.741 3.628 -6.169 1.00 0.00 C ATOM 2093 C ASN B 38 13.490 3.821 -7.029 1.00 0.00 C ATOM 2094 O ASN B 38 13.460 4.650 -7.919 1.00 0.00 O ATOM 2095 CB ASN B 38 15.319 2.232 -6.412 1.00 0.00 C ATOM 2096 CG ASN B 38 16.123 2.234 -7.713 1.00 0.00 C ATOM 2097 OD1 ASN B 38 17.292 1.901 -7.718 1.00 0.00 O ATOM 2098 ND2 ASN B 38 15.543 2.595 -8.825 1.00 0.00 N ATOM 0 H ASN B 38 13.815 3.041 -4.334 1.00 0.00 H new ATOM 0 HA ASN B 38 15.477 4.384 -6.442 1.00 0.00 H new ATOM 0 HB2 ASN B 38 15.957 1.940 -5.578 1.00 0.00 H new ATOM 0 HB3 ASN B 38 14.515 1.498 -6.470 1.00 0.00 H new ATOM 0 HD21 ASN B 38 16.071 2.598 -9.698 1.00 0.00 H new ATOM 0 HD22 ASN B 38 14.562 2.874 -8.821 1.00 0.00 H new ATOM 2105 N GLU B 39 12.465 3.053 -6.790 1.00 0.00 N ATOM 2106 CA GLU B 39 11.231 3.184 -7.615 1.00 0.00 C ATOM 2107 C GLU B 39 10.178 4.028 -6.884 1.00 0.00 C ATOM 2108 O GLU B 39 8.997 3.922 -7.152 1.00 0.00 O ATOM 2109 CB GLU B 39 10.667 1.790 -7.896 1.00 0.00 C ATOM 2110 CG GLU B 39 11.649 1.011 -8.777 1.00 0.00 C ATOM 2111 CD GLU B 39 12.267 -0.134 -7.971 1.00 0.00 C ATOM 2112 OE1 GLU B 39 11.544 -1.059 -7.642 1.00 0.00 O ATOM 2113 OE2 GLU B 39 13.455 -0.067 -7.700 1.00 0.00 O ATOM 0 H GLU B 39 12.427 2.341 -6.061 1.00 0.00 H new ATOM 0 HA GLU B 39 11.482 3.681 -8.552 1.00 0.00 H new ATOM 0 HB2 GLU B 39 10.501 1.258 -6.960 1.00 0.00 H new ATOM 0 HB3 GLU B 39 9.700 1.870 -8.393 1.00 0.00 H new ATOM 0 HG2 GLU B 39 11.133 0.616 -9.652 1.00 0.00 H new ATOM 0 HG3 GLU B 39 12.432 1.676 -9.142 1.00 0.00 H new ATOM 2120 N LEU B 40 10.586 4.872 -5.974 1.00 0.00 N ATOM 2121 CA LEU B 40 9.589 5.719 -5.252 1.00 0.00 C ATOM 2122 C LEU B 40 10.161 7.122 -5.029 1.00 0.00 C ATOM 2123 O LEU B 40 9.533 8.115 -5.338 1.00 0.00 O ATOM 2124 CB LEU B 40 9.250 5.086 -3.900 1.00 0.00 C ATOM 2125 CG LEU B 40 8.087 5.848 -3.266 1.00 0.00 C ATOM 2126 CD1 LEU B 40 6.960 4.875 -2.919 1.00 0.00 C ATOM 2127 CD2 LEU B 40 8.573 6.545 -1.991 1.00 0.00 C ATOM 0 H LEU B 40 11.558 5.012 -5.700 1.00 0.00 H new ATOM 0 HA LEU B 40 8.684 5.790 -5.855 1.00 0.00 H new ATOM 0 HB2 LEU B 40 8.984 4.037 -4.032 1.00 0.00 H new ATOM 0 HB3 LEU B 40 10.120 5.114 -3.244 1.00 0.00 H new ATOM 0 HG LEU B 40 7.714 6.592 -3.970 1.00 0.00 H new ATOM 0 HD11 LEU B 40 6.133 5.423 -2.467 1.00 0.00 H new ATOM 0 HD12 LEU B 40 6.615 4.380 -3.826 1.00 0.00 H new ATOM 0 HD13 LEU B 40 7.328 4.128 -2.216 1.00 0.00 H new ATOM 0 HD21 LEU B 40 7.746 7.090 -1.536 1.00 0.00 H new ATOM 0 HD22 LEU B 40 8.947 5.800 -1.289 1.00 0.00 H new ATOM 0 HD23 LEU B 40 9.373 7.242 -2.240 1.00 0.00 H new ATOM 2139 N SER B 41 11.349 7.209 -4.495 1.00 0.00 N ATOM 2140 CA SER B 41 11.968 8.545 -4.249 1.00 0.00 C ATOM 2141 C SER B 41 11.813 9.435 -5.487 1.00 0.00 C ATOM 2142 O SER B 41 11.872 10.645 -5.396 1.00 0.00 O ATOM 2143 CB SER B 41 13.453 8.361 -3.938 1.00 0.00 C ATOM 2144 OG SER B 41 13.786 9.109 -2.776 1.00 0.00 O ATOM 0 H SER B 41 11.920 6.411 -4.217 1.00 0.00 H new ATOM 0 HA SER B 41 11.468 9.022 -3.406 1.00 0.00 H new ATOM 0 HB2 SER B 41 13.675 7.306 -3.781 1.00 0.00 H new ATOM 0 HB3 SER B 41 14.057 8.692 -4.783 1.00 0.00 H new ATOM 0 HG SER B 41 14.738 8.992 -2.573 1.00 0.00 H new ATOM 2150 N HIS B 42 11.628 8.844 -6.640 1.00 0.00 N ATOM 2151 CA HIS B 42 11.476 9.645 -7.891 1.00 0.00 C ATOM 2152 C HIS B 42 10.683 10.926 -7.611 1.00 0.00 C ATOM 2153 O HIS B 42 10.908 11.951 -8.223 1.00 0.00 O ATOM 2154 CB HIS B 42 10.739 8.810 -8.939 1.00 0.00 C ATOM 2155 CG HIS B 42 11.542 8.779 -10.211 1.00 0.00 C ATOM 2156 ND1 HIS B 42 12.630 7.936 -10.377 1.00 0.00 N ATOM 2157 CD2 HIS B 42 11.430 9.484 -11.384 1.00 0.00 C ATOM 2158 CE1 HIS B 42 13.125 8.152 -11.610 1.00 0.00 C ATOM 2159 NE2 HIS B 42 12.430 9.087 -12.266 1.00 0.00 N ATOM 0 H HIS B 42 11.575 7.833 -6.769 1.00 0.00 H new ATOM 0 HA HIS B 42 12.465 9.917 -8.260 1.00 0.00 H new ATOM 0 HB2 HIS B 42 10.585 7.796 -8.569 1.00 0.00 H new ATOM 0 HB3 HIS B 42 9.753 9.234 -9.129 1.00 0.00 H new ATOM 0 HD2 HIS B 42 10.680 10.233 -11.591 1.00 0.00 H new ATOM 0 HE1 HIS B 42 13.979 7.633 -12.019 1.00 0.00 H new ATOM 0 HE2 HIS B 42 12.597 9.435 -13.210 1.00 0.00 H new ATOM 2167 N PHE B 43 9.761 10.882 -6.687 1.00 0.00 N ATOM 2168 CA PHE B 43 8.968 12.106 -6.373 1.00 0.00 C ATOM 2169 C PHE B 43 8.850 12.264 -4.855 1.00 0.00 C ATOM 2170 O PHE B 43 8.274 11.435 -4.180 1.00 0.00 O ATOM 2171 CB PHE B 43 7.573 11.998 -7.007 1.00 0.00 C ATOM 2172 CG PHE B 43 6.671 11.125 -6.160 1.00 0.00 C ATOM 2173 CD1 PHE B 43 6.739 9.730 -6.270 1.00 0.00 C ATOM 2174 CD2 PHE B 43 5.758 11.715 -5.276 1.00 0.00 C ATOM 2175 CE1 PHE B 43 5.894 8.926 -5.493 1.00 0.00 C ATOM 2176 CE2 PHE B 43 4.916 10.910 -4.499 1.00 0.00 C ATOM 2177 CZ PHE B 43 4.984 9.517 -4.609 1.00 0.00 C ATOM 0 H PHE B 43 9.523 10.056 -6.138 1.00 0.00 H new ATOM 0 HA PHE B 43 9.472 12.981 -6.783 1.00 0.00 H new ATOM 0 HB2 PHE B 43 7.136 12.991 -7.109 1.00 0.00 H new ATOM 0 HB3 PHE B 43 7.655 11.581 -8.011 1.00 0.00 H new ATOM 0 HD1 PHE B 43 7.441 9.275 -6.952 1.00 0.00 H new ATOM 0 HD2 PHE B 43 5.704 12.791 -5.194 1.00 0.00 H new ATOM 0 HE1 PHE B 43 5.945 7.850 -5.576 1.00 0.00 H new ATOM 0 HE2 PHE B 43 4.214 11.364 -3.815 1.00 0.00 H new ATOM 0 HZ PHE B 43 4.333 8.897 -4.011 1.00 0.00 H new ATOM 2187 N LEU B 44 9.391 13.325 -4.317 1.00 0.00 N ATOM 2188 CA LEU B 44 9.314 13.547 -2.843 1.00 0.00 C ATOM 2189 C LEU B 44 10.167 14.763 -2.464 1.00 0.00 C ATOM 2190 O LEU B 44 9.658 15.847 -2.263 1.00 0.00 O ATOM 2191 CB LEU B 44 9.819 12.298 -2.104 1.00 0.00 C ATOM 2192 CG LEU B 44 8.906 11.998 -0.912 1.00 0.00 C ATOM 2193 CD1 LEU B 44 7.450 11.917 -1.376 1.00 0.00 C ATOM 2194 CD2 LEU B 44 9.311 10.659 -0.290 1.00 0.00 C ATOM 0 H LEU B 44 9.885 14.050 -4.837 1.00 0.00 H new ATOM 0 HA LEU B 44 8.279 13.733 -2.556 1.00 0.00 H new ATOM 0 HB2 LEU B 44 9.839 11.445 -2.783 1.00 0.00 H new ATOM 0 HB3 LEU B 44 10.841 12.456 -1.761 1.00 0.00 H new ATOM 0 HG LEU B 44 9.005 12.796 -0.176 1.00 0.00 H new ATOM 0 HD11 LEU B 44 6.807 11.703 -0.522 1.00 0.00 H new ATOM 0 HD12 LEU B 44 7.157 12.867 -1.822 1.00 0.00 H new ATOM 0 HD13 LEU B 44 7.347 11.122 -2.115 1.00 0.00 H new ATOM 0 HD21 LEU B 44 8.663 10.442 0.559 1.00 0.00 H new ATOM 0 HD22 LEU B 44 9.213 9.868 -1.033 1.00 0.00 H new ATOM 0 HD23 LEU B 44 10.346 10.713 0.048 1.00 0.00 H new ATOM 2206 N GLU B 45 11.461 14.597 -2.370 1.00 0.00 N ATOM 2207 CA GLU B 45 12.341 15.748 -2.010 1.00 0.00 C ATOM 2208 C GLU B 45 11.699 16.568 -0.888 1.00 0.00 C ATOM 2209 O GLU B 45 11.949 17.751 -0.753 1.00 0.00 O ATOM 2210 CB GLU B 45 12.536 16.643 -3.237 1.00 0.00 C ATOM 2211 CG GLU B 45 13.546 15.999 -4.188 1.00 0.00 C ATOM 2212 CD GLU B 45 14.536 17.058 -4.673 1.00 0.00 C ATOM 2213 OE1 GLU B 45 14.141 18.209 -4.772 1.00 0.00 O ATOM 2214 OE2 GLU B 45 15.673 16.702 -4.937 1.00 0.00 O ATOM 0 H GLU B 45 11.946 13.714 -2.527 1.00 0.00 H new ATOM 0 HA GLU B 45 13.304 15.366 -1.672 1.00 0.00 H new ATOM 0 HB2 GLU B 45 11.584 16.790 -3.747 1.00 0.00 H new ATOM 0 HB3 GLU B 45 12.888 17.628 -2.929 1.00 0.00 H new ATOM 0 HG2 GLU B 45 14.078 15.194 -3.680 1.00 0.00 H new ATOM 0 HG3 GLU B 45 13.029 15.553 -5.038 1.00 0.00 H new ATOM 2221 N GLU B 46 10.873 15.961 -0.080 1.00 0.00 N ATOM 2222 CA GLU B 46 10.222 16.724 1.025 1.00 0.00 C ATOM 2223 C GLU B 46 10.097 15.837 2.265 1.00 0.00 C ATOM 2224 O GLU B 46 10.910 15.897 3.168 1.00 0.00 O ATOM 2225 CB GLU B 46 8.831 17.179 0.579 1.00 0.00 C ATOM 2226 CG GLU B 46 8.959 18.418 -0.309 1.00 0.00 C ATOM 2227 CD GLU B 46 8.007 19.506 0.192 1.00 0.00 C ATOM 2228 OE1 GLU B 46 8.350 20.167 1.158 1.00 0.00 O ATOM 2229 OE2 GLU B 46 6.951 19.660 -0.399 1.00 0.00 O ATOM 0 H GLU B 46 10.621 14.974 -0.136 1.00 0.00 H new ATOM 0 HA GLU B 46 10.831 17.595 1.268 1.00 0.00 H new ATOM 0 HB2 GLU B 46 8.332 16.378 0.034 1.00 0.00 H new ATOM 0 HB3 GLU B 46 8.214 17.404 1.449 1.00 0.00 H new ATOM 0 HG2 GLU B 46 9.986 18.784 -0.295 1.00 0.00 H new ATOM 0 HG3 GLU B 46 8.725 18.163 -1.343 1.00 0.00 H new ATOM 2236 N ILE B 47 9.084 15.017 2.322 1.00 0.00 N ATOM 2237 CA ILE B 47 8.911 14.131 3.508 1.00 0.00 C ATOM 2238 C ILE B 47 8.801 14.993 4.770 1.00 0.00 C ATOM 2239 O ILE B 47 9.776 15.539 5.247 1.00 0.00 O ATOM 2240 CB ILE B 47 10.116 13.191 3.616 1.00 0.00 C ATOM 2241 CG1 ILE B 47 9.974 12.075 2.581 1.00 0.00 C ATOM 2242 CG2 ILE B 47 10.177 12.579 5.018 1.00 0.00 C ATOM 2243 CD1 ILE B 47 11.357 11.684 2.058 1.00 0.00 C ATOM 0 H ILE B 47 8.370 14.922 1.600 1.00 0.00 H new ATOM 0 HA ILE B 47 8.003 13.537 3.400 1.00 0.00 H new ATOM 0 HB ILE B 47 11.031 13.754 3.433 1.00 0.00 H new ATOM 0 HG12 ILE B 47 9.485 11.210 3.029 1.00 0.00 H new ATOM 0 HG13 ILE B 47 9.343 12.407 1.757 1.00 0.00 H new ATOM 0 HG21 ILE B 47 11.036 11.912 5.087 1.00 0.00 H new ATOM 0 HG22 ILE B 47 10.274 13.373 5.758 1.00 0.00 H new ATOM 0 HG23 ILE B 47 9.264 12.015 5.209 1.00 0.00 H new ATOM 0 HD11 ILE B 47 11.255 10.888 1.320 1.00 0.00 H new ATOM 0 HD12 ILE B 47 11.829 12.550 1.595 1.00 0.00 H new ATOM 0 HD13 ILE B 47 11.974 11.334 2.886 1.00 0.00 H new ATOM 2255 N LYS B 48 7.620 15.120 5.314 1.00 0.00 N ATOM 2256 CA LYS B 48 7.448 15.945 6.542 1.00 0.00 C ATOM 2257 C LYS B 48 7.225 15.026 7.745 1.00 0.00 C ATOM 2258 O LYS B 48 7.421 15.420 8.877 1.00 0.00 O ATOM 2259 CB LYS B 48 6.244 16.881 6.367 1.00 0.00 C ATOM 2260 CG LYS B 48 5.798 17.420 7.731 1.00 0.00 C ATOM 2261 CD LYS B 48 6.895 18.312 8.312 1.00 0.00 C ATOM 2262 CE LYS B 48 6.350 19.052 9.536 1.00 0.00 C ATOM 2263 NZ LYS B 48 6.961 18.483 10.770 1.00 0.00 N ATOM 0 H LYS B 48 6.767 14.687 4.960 1.00 0.00 H new ATOM 0 HA LYS B 48 8.343 16.544 6.709 1.00 0.00 H new ATOM 0 HB2 LYS B 48 6.508 17.708 5.708 1.00 0.00 H new ATOM 0 HB3 LYS B 48 5.422 16.345 5.892 1.00 0.00 H new ATOM 0 HG2 LYS B 48 4.873 17.986 7.625 1.00 0.00 H new ATOM 0 HG3 LYS B 48 5.590 16.593 8.410 1.00 0.00 H new ATOM 0 HD2 LYS B 48 7.759 17.710 8.592 1.00 0.00 H new ATOM 0 HD3 LYS B 48 7.234 19.027 7.562 1.00 0.00 H new ATOM 0 HE2 LYS B 48 6.576 20.116 9.462 1.00 0.00 H new ATOM 0 HE3 LYS B 48 5.265 18.959 9.578 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 6.592 18.984 11.603 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 6.724 17.473 10.841 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 7.994 18.594 10.729 1.00 0.00 H new ATOM 2277 N GLU B 49 6.821 13.806 7.514 1.00 0.00 N ATOM 2278 CA GLU B 49 6.600 12.872 8.656 1.00 0.00 C ATOM 2279 C GLU B 49 7.938 12.250 9.056 1.00 0.00 C ATOM 2280 O GLU B 49 8.175 11.078 8.849 1.00 0.00 O ATOM 2281 CB GLU B 49 5.624 11.765 8.249 1.00 0.00 C ATOM 2282 CG GLU B 49 4.235 12.088 8.802 1.00 0.00 C ATOM 2283 CD GLU B 49 4.275 12.044 10.331 1.00 0.00 C ATOM 2284 OE1 GLU B 49 4.748 11.052 10.863 1.00 0.00 O ATOM 2285 OE2 GLU B 49 3.833 13.002 10.944 1.00 0.00 O ATOM 0 H GLU B 49 6.635 13.417 6.590 1.00 0.00 H new ATOM 0 HA GLU B 49 6.178 13.423 9.497 1.00 0.00 H new ATOM 0 HB2 GLU B 49 5.585 11.680 7.163 1.00 0.00 H new ATOM 0 HB3 GLU B 49 5.966 10.804 8.632 1.00 0.00 H new ATOM 0 HG2 GLU B 49 3.917 13.074 8.464 1.00 0.00 H new ATOM 0 HG3 GLU B 49 3.506 11.371 8.425 1.00 0.00 H new ATOM 2292 N GLN B 50 8.815 13.028 9.623 1.00 0.00 N ATOM 2293 CA GLN B 50 10.140 12.486 10.032 1.00 0.00 C ATOM 2294 C GLN B 50 9.946 11.194 10.826 1.00 0.00 C ATOM 2295 O GLN B 50 10.838 10.381 10.925 1.00 0.00 O ATOM 2296 CB GLN B 50 10.859 13.519 10.905 1.00 0.00 C ATOM 2297 CG GLN B 50 12.086 12.876 11.555 1.00 0.00 C ATOM 2298 CD GLN B 50 12.822 13.921 12.397 1.00 0.00 C ATOM 2299 OE1 GLN B 50 12.360 15.036 12.543 1.00 0.00 O ATOM 2300 NE2 GLN B 50 13.956 13.606 12.962 1.00 0.00 N ATOM 0 H GLN B 50 8.672 14.018 9.822 1.00 0.00 H new ATOM 0 HA GLN B 50 10.737 12.275 9.144 1.00 0.00 H new ATOM 0 HB2 GLN B 50 11.161 14.374 10.300 1.00 0.00 H new ATOM 0 HB3 GLN B 50 10.183 13.895 11.673 1.00 0.00 H new ATOM 0 HG2 GLN B 50 11.782 12.037 12.181 1.00 0.00 H new ATOM 0 HG3 GLN B 50 12.750 12.477 10.788 1.00 0.00 H new ATOM 0 HE21 GLN B 50 14.344 12.671 12.840 1.00 0.00 H new ATOM 0 HE22 GLN B 50 14.454 14.295 13.526 1.00 0.00 H new ATOM 2309 N GLU B 51 8.793 11.003 11.404 1.00 0.00 N ATOM 2310 CA GLU B 51 8.561 9.764 12.200 1.00 0.00 C ATOM 2311 C GLU B 51 8.208 8.590 11.280 1.00 0.00 C ATOM 2312 O GLU B 51 8.670 7.483 11.476 1.00 0.00 O ATOM 2313 CB GLU B 51 7.414 10.000 13.186 1.00 0.00 C ATOM 2314 CG GLU B 51 7.904 9.743 14.613 1.00 0.00 C ATOM 2315 CD GLU B 51 6.832 8.978 15.393 1.00 0.00 C ATOM 2316 OE1 GLU B 51 6.532 7.860 15.007 1.00 0.00 O ATOM 2317 OE2 GLU B 51 6.334 9.522 16.365 1.00 0.00 O ATOM 0 H GLU B 51 8.004 11.648 11.361 1.00 0.00 H new ATOM 0 HA GLU B 51 9.474 9.521 12.743 1.00 0.00 H new ATOM 0 HB2 GLU B 51 7.047 11.022 13.095 1.00 0.00 H new ATOM 0 HB3 GLU B 51 6.579 9.340 12.953 1.00 0.00 H new ATOM 0 HG2 GLU B 51 8.831 9.171 14.592 1.00 0.00 H new ATOM 0 HG3 GLU B 51 8.124 10.688 15.109 1.00 0.00 H new ATOM 2324 N VAL B 52 7.384 8.809 10.291 1.00 0.00 N ATOM 2325 CA VAL B 52 7.000 7.687 9.384 1.00 0.00 C ATOM 2326 C VAL B 52 8.185 7.294 8.501 1.00 0.00 C ATOM 2327 O VAL B 52 8.425 6.129 8.253 1.00 0.00 O ATOM 2328 CB VAL B 52 5.824 8.123 8.501 1.00 0.00 C ATOM 2329 CG1 VAL B 52 5.585 7.084 7.405 1.00 0.00 C ATOM 2330 CG2 VAL B 52 4.564 8.245 9.356 1.00 0.00 C ATOM 0 H VAL B 52 6.962 9.711 10.072 1.00 0.00 H new ATOM 0 HA VAL B 52 6.707 6.827 9.986 1.00 0.00 H new ATOM 0 HB VAL B 52 6.057 9.085 8.045 1.00 0.00 H new ATOM 0 HG11 VAL B 52 4.749 7.399 6.781 1.00 0.00 H new ATOM 0 HG12 VAL B 52 6.481 6.990 6.791 1.00 0.00 H new ATOM 0 HG13 VAL B 52 5.355 6.121 7.861 1.00 0.00 H new ATOM 0 HG21 VAL B 52 3.728 8.555 8.729 1.00 0.00 H new ATOM 0 HG22 VAL B 52 4.339 7.281 9.811 1.00 0.00 H new ATOM 0 HG23 VAL B 52 4.726 8.987 10.138 1.00 0.00 H new ATOM 2340 N VAL B 53 8.924 8.250 8.018 1.00 0.00 N ATOM 2341 CA VAL B 53 10.086 7.918 7.149 1.00 0.00 C ATOM 2342 C VAL B 53 11.277 7.506 8.014 1.00 0.00 C ATOM 2343 O VAL B 53 12.111 6.730 7.600 1.00 0.00 O ATOM 2344 CB VAL B 53 10.455 9.136 6.304 1.00 0.00 C ATOM 2345 CG1 VAL B 53 11.556 8.752 5.313 1.00 0.00 C ATOM 2346 CG2 VAL B 53 9.222 9.613 5.535 1.00 0.00 C ATOM 0 H VAL B 53 8.775 9.245 8.186 1.00 0.00 H new ATOM 0 HA VAL B 53 9.821 7.090 6.491 1.00 0.00 H new ATOM 0 HB VAL B 53 10.812 9.936 6.953 1.00 0.00 H new ATOM 0 HG11 VAL B 53 11.821 9.620 4.709 1.00 0.00 H new ATOM 0 HG12 VAL B 53 12.434 8.409 5.860 1.00 0.00 H new ATOM 0 HG13 VAL B 53 11.198 7.953 4.663 1.00 0.00 H new ATOM 0 HG21 VAL B 53 9.483 10.482 4.931 1.00 0.00 H new ATOM 0 HG22 VAL B 53 8.867 8.813 4.885 1.00 0.00 H new ATOM 0 HG23 VAL B 53 8.436 9.884 6.240 1.00 0.00 H new ATOM 2356 N ASP B 54 11.365 8.009 9.214 1.00 0.00 N ATOM 2357 CA ASP B 54 12.504 7.624 10.088 1.00 0.00 C ATOM 2358 C ASP B 54 12.189 6.282 10.741 1.00 0.00 C ATOM 2359 O ASP B 54 13.072 5.570 11.170 1.00 0.00 O ATOM 2360 CB ASP B 54 12.712 8.680 11.173 1.00 0.00 C ATOM 2361 CG ASP B 54 13.994 8.369 11.947 1.00 0.00 C ATOM 2362 OD1 ASP B 54 14.997 8.095 11.308 1.00 0.00 O ATOM 2363 OD2 ASP B 54 13.952 8.408 13.166 1.00 0.00 O ATOM 0 H ASP B 54 10.701 8.666 9.624 1.00 0.00 H new ATOM 0 HA ASP B 54 13.413 7.548 9.491 1.00 0.00 H new ATOM 0 HB2 ASP B 54 12.777 9.671 10.724 1.00 0.00 H new ATOM 0 HB3 ASP B 54 11.859 8.693 11.851 1.00 0.00 H new ATOM 2368 N LYS B 55 10.936 5.925 10.815 1.00 0.00 N ATOM 2369 CA LYS B 55 10.578 4.626 11.438 1.00 0.00 C ATOM 2370 C LYS B 55 10.914 3.494 10.469 1.00 0.00 C ATOM 2371 O LYS B 55 11.489 2.492 10.847 1.00 0.00 O ATOM 2372 CB LYS B 55 9.083 4.611 11.759 1.00 0.00 C ATOM 2373 CG LYS B 55 8.706 3.263 12.374 1.00 0.00 C ATOM 2374 CD LYS B 55 8.270 2.303 11.266 1.00 0.00 C ATOM 2375 CE LYS B 55 7.626 1.066 11.893 1.00 0.00 C ATOM 2376 NZ LYS B 55 6.153 1.110 11.679 1.00 0.00 N ATOM 0 H LYS B 55 10.150 6.476 10.472 1.00 0.00 H new ATOM 0 HA LYS B 55 11.143 4.490 12.361 1.00 0.00 H new ATOM 0 HB2 LYS B 55 8.841 5.418 12.450 1.00 0.00 H new ATOM 0 HB3 LYS B 55 8.504 4.783 10.852 1.00 0.00 H new ATOM 0 HG2 LYS B 55 9.556 2.848 12.916 1.00 0.00 H new ATOM 0 HG3 LYS B 55 7.900 3.393 13.096 1.00 0.00 H new ATOM 0 HD2 LYS B 55 7.563 2.796 10.599 1.00 0.00 H new ATOM 0 HD3 LYS B 55 9.129 2.013 10.662 1.00 0.00 H new ATOM 0 HE2 LYS B 55 8.042 0.162 11.449 1.00 0.00 H new ATOM 0 HE3 LYS B 55 7.848 1.028 12.959 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 5.667 1.063 12.597 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 5.898 1.996 11.198 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 5.863 0.302 11.092 1.00 0.00 H new ATOM 2390 N VAL B 56 10.575 3.645 9.218 1.00 0.00 N ATOM 2391 CA VAL B 56 10.897 2.573 8.238 1.00 0.00 C ATOM 2392 C VAL B 56 12.360 2.711 7.830 1.00 0.00 C ATOM 2393 O VAL B 56 13.055 1.739 7.608 1.00 0.00 O ATOM 2394 CB VAL B 56 10.005 2.707 7.005 1.00 0.00 C ATOM 2395 CG1 VAL B 56 8.635 2.094 7.294 1.00 0.00 C ATOM 2396 CG2 VAL B 56 9.832 4.185 6.641 1.00 0.00 C ATOM 0 H VAL B 56 10.093 4.458 8.835 1.00 0.00 H new ATOM 0 HA VAL B 56 10.724 1.596 8.690 1.00 0.00 H new ATOM 0 HB VAL B 56 10.473 2.184 6.171 1.00 0.00 H new ATOM 0 HG11 VAL B 56 8.000 2.191 6.413 1.00 0.00 H new ATOM 0 HG12 VAL B 56 8.753 1.039 7.542 1.00 0.00 H new ATOM 0 HG13 VAL B 56 8.173 2.614 8.133 1.00 0.00 H new ATOM 0 HG21 VAL B 56 9.195 4.271 5.761 1.00 0.00 H new ATOM 0 HG22 VAL B 56 9.371 4.714 7.475 1.00 0.00 H new ATOM 0 HG23 VAL B 56 10.807 4.624 6.427 1.00 0.00 H new ATOM 2406 N MET B 57 12.830 3.920 7.741 1.00 0.00 N ATOM 2407 CA MET B 57 14.247 4.149 7.362 1.00 0.00 C ATOM 2408 C MET B 57 15.141 3.748 8.532 1.00 0.00 C ATOM 2409 O MET B 57 16.292 3.410 8.358 1.00 0.00 O ATOM 2410 CB MET B 57 14.450 5.630 7.045 1.00 0.00 C ATOM 2411 CG MET B 57 15.788 5.821 6.334 1.00 0.00 C ATOM 2412 SD MET B 57 15.506 6.535 4.692 1.00 0.00 S ATOM 2413 CE MET B 57 14.185 5.415 4.167 1.00 0.00 C ATOM 0 H MET B 57 12.288 4.766 7.916 1.00 0.00 H new ATOM 0 HA MET B 57 14.501 3.554 6.485 1.00 0.00 H new ATOM 0 HB2 MET B 57 13.637 5.993 6.416 1.00 0.00 H new ATOM 0 HB3 MET B 57 14.428 6.216 7.964 1.00 0.00 H new ATOM 0 HG2 MET B 57 16.433 6.475 6.920 1.00 0.00 H new ATOM 0 HG3 MET B 57 16.303 4.865 6.242 1.00 0.00 H new ATOM 0 HE1 MET B 57 14.183 5.339 3.080 1.00 0.00 H new ATOM 0 HE2 MET B 57 14.351 4.428 4.599 1.00 0.00 H new ATOM 0 HE3 MET B 57 13.224 5.802 4.506 1.00 0.00 H new ATOM 2423 N GLU B 58 14.618 3.780 9.728 1.00 0.00 N ATOM 2424 CA GLU B 58 15.448 3.388 10.904 1.00 0.00 C ATOM 2425 C GLU B 58 15.616 1.869 10.908 1.00 0.00 C ATOM 2426 O GLU B 58 16.715 1.357 10.986 1.00 0.00 O ATOM 2427 CB GLU B 58 14.765 3.828 12.202 1.00 0.00 C ATOM 2428 CG GLU B 58 15.204 5.250 12.555 1.00 0.00 C ATOM 2429 CD GLU B 58 16.168 5.207 13.742 1.00 0.00 C ATOM 2430 OE1 GLU B 58 17.193 4.554 13.624 1.00 0.00 O ATOM 2431 OE2 GLU B 58 15.867 5.830 14.747 1.00 0.00 O ATOM 0 H GLU B 58 13.660 4.058 9.941 1.00 0.00 H new ATOM 0 HA GLU B 58 16.422 3.872 10.836 1.00 0.00 H new ATOM 0 HB2 GLU B 58 13.682 3.789 12.086 1.00 0.00 H new ATOM 0 HB3 GLU B 58 15.024 3.145 13.011 1.00 0.00 H new ATOM 0 HG2 GLU B 58 15.688 5.716 11.697 1.00 0.00 H new ATOM 0 HG3 GLU B 58 14.335 5.860 12.801 1.00 0.00 H new ATOM 2438 N THR B 59 14.535 1.141 10.813 1.00 0.00 N ATOM 2439 CA THR B 59 14.648 -0.343 10.799 1.00 0.00 C ATOM 2440 C THR B 59 15.386 -0.757 9.526 1.00 0.00 C ATOM 2441 O THR B 59 15.994 -1.807 9.453 1.00 0.00 O ATOM 2442 CB THR B 59 13.249 -0.964 10.811 1.00 0.00 C ATOM 2443 OG1 THR B 59 12.432 -0.266 11.741 1.00 0.00 O ATOM 2444 CG2 THR B 59 13.345 -2.434 11.219 1.00 0.00 C ATOM 0 H THR B 59 13.586 1.508 10.745 1.00 0.00 H new ATOM 0 HA THR B 59 15.194 -0.688 11.677 1.00 0.00 H new ATOM 0 HB THR B 59 12.811 -0.893 9.815 1.00 0.00 H new ATOM 0 HG1 THR B 59 12.052 0.528 11.311 1.00 0.00 H new ATOM 0 HG21 THR B 59 12.348 -2.875 11.227 1.00 0.00 H new ATOM 0 HG22 THR B 59 13.973 -2.969 10.507 1.00 0.00 H new ATOM 0 HG23 THR B 59 13.782 -2.507 12.215 1.00 0.00 H new ATOM 2452 N LEU B 60 15.336 0.076 8.526 1.00 0.00 N ATOM 2453 CA LEU B 60 16.029 -0.232 7.246 1.00 0.00 C ATOM 2454 C LEU B 60 17.543 -0.149 7.452 1.00 0.00 C ATOM 2455 O LEU B 60 18.278 -1.065 7.136 1.00 0.00 O ATOM 2456 CB LEU B 60 15.602 0.801 6.204 1.00 0.00 C ATOM 2457 CG LEU B 60 14.399 0.272 5.426 1.00 0.00 C ATOM 2458 CD1 LEU B 60 13.985 1.295 4.368 1.00 0.00 C ATOM 2459 CD2 LEU B 60 14.772 -1.047 4.744 1.00 0.00 C ATOM 0 H LEU B 60 14.839 0.967 8.541 1.00 0.00 H new ATOM 0 HA LEU B 60 15.768 -1.236 6.911 1.00 0.00 H new ATOM 0 HB2 LEU B 60 15.348 1.742 6.692 1.00 0.00 H new ATOM 0 HB3 LEU B 60 16.427 1.008 5.522 1.00 0.00 H new ATOM 0 HG LEU B 60 13.569 0.104 6.112 1.00 0.00 H new ATOM 0 HD11 LEU B 60 13.126 0.917 3.813 1.00 0.00 H new ATOM 0 HD12 LEU B 60 13.718 2.234 4.854 1.00 0.00 H new ATOM 0 HD13 LEU B 60 14.815 1.465 3.682 1.00 0.00 H new ATOM 0 HD21 LEU B 60 13.914 -1.425 4.189 1.00 0.00 H new ATOM 0 HD22 LEU B 60 15.603 -0.880 4.058 1.00 0.00 H new ATOM 0 HD23 LEU B 60 15.066 -1.777 5.499 1.00 0.00 H new ATOM 2471 N ASP B 61 18.009 0.948 7.978 1.00 0.00 N ATOM 2472 CA ASP B 61 19.471 1.113 8.208 1.00 0.00 C ATOM 2473 C ASP B 61 19.893 0.306 9.439 1.00 0.00 C ATOM 2474 O ASP B 61 21.066 0.125 9.701 1.00 0.00 O ATOM 2475 CB ASP B 61 19.774 2.594 8.444 1.00 0.00 C ATOM 2476 CG ASP B 61 20.932 3.027 7.543 1.00 0.00 C ATOM 2477 OD1 ASP B 61 20.848 2.793 6.349 1.00 0.00 O ATOM 2478 OD2 ASP B 61 21.884 3.585 8.063 1.00 0.00 O ATOM 0 H ASP B 61 17.436 1.743 8.261 1.00 0.00 H new ATOM 0 HA ASP B 61 20.021 0.755 7.338 1.00 0.00 H new ATOM 0 HB2 ASP B 61 18.890 3.195 8.232 1.00 0.00 H new ATOM 0 HB3 ASP B 61 20.031 2.762 9.490 1.00 0.00 H new ATOM 2483 N GLU B 62 18.948 -0.175 10.197 1.00 0.00 N ATOM 2484 CA GLU B 62 19.298 -0.964 11.412 1.00 0.00 C ATOM 2485 C GLU B 62 19.823 -2.342 11.000 1.00 0.00 C ATOM 2486 O GLU B 62 20.715 -2.888 11.620 1.00 0.00 O ATOM 2487 CB GLU B 62 18.053 -1.131 12.286 1.00 0.00 C ATOM 2488 CG GLU B 62 18.458 -1.692 13.651 1.00 0.00 C ATOM 2489 CD GLU B 62 17.222 -1.794 14.547 1.00 0.00 C ATOM 2490 OE1 GLU B 62 16.455 -2.723 14.359 1.00 0.00 O ATOM 2491 OE2 GLU B 62 17.065 -0.943 15.406 1.00 0.00 O ATOM 0 H GLU B 62 17.949 -0.056 10.029 1.00 0.00 H new ATOM 0 HA GLU B 62 20.070 -0.439 11.974 1.00 0.00 H new ATOM 0 HB2 GLU B 62 17.551 -0.171 12.410 1.00 0.00 H new ATOM 0 HB3 GLU B 62 17.343 -1.801 11.802 1.00 0.00 H new ATOM 0 HG2 GLU B 62 18.916 -2.674 13.531 1.00 0.00 H new ATOM 0 HG3 GLU B 62 19.204 -1.047 14.115 1.00 0.00 H new ATOM 2498 N ASP B 63 19.276 -2.910 9.962 1.00 0.00 N ATOM 2499 CA ASP B 63 19.743 -4.254 9.516 1.00 0.00 C ATOM 2500 C ASP B 63 19.406 -4.450 8.036 1.00 0.00 C ATOM 2501 O ASP B 63 18.755 -5.403 7.662 1.00 0.00 O ATOM 2502 CB ASP B 63 19.046 -5.335 10.346 1.00 0.00 C ATOM 2503 CG ASP B 63 19.554 -5.281 11.788 1.00 0.00 C ATOM 2504 OD1 ASP B 63 20.759 -5.202 11.968 1.00 0.00 O ATOM 2505 OD2 ASP B 63 18.732 -5.322 12.687 1.00 0.00 O ATOM 0 H ASP B 63 18.526 -2.503 9.403 1.00 0.00 H new ATOM 0 HA ASP B 63 20.822 -4.327 9.653 1.00 0.00 H new ATOM 0 HB2 ASP B 63 17.967 -5.185 10.324 1.00 0.00 H new ATOM 0 HB3 ASP B 63 19.240 -6.318 9.918 1.00 0.00 H new ATOM 2510 N GLY B 64 19.846 -3.554 7.192 1.00 0.00 N ATOM 2511 CA GLY B 64 19.554 -3.682 5.733 1.00 0.00 C ATOM 2512 C GLY B 64 19.681 -5.145 5.302 1.00 0.00 C ATOM 2513 O GLY B 64 19.046 -5.580 4.363 1.00 0.00 O ATOM 0 H GLY B 64 20.397 -2.736 7.451 1.00 0.00 H new ATOM 0 HA2 GLY B 64 18.549 -3.318 5.521 1.00 0.00 H new ATOM 0 HA3 GLY B 64 20.245 -3.064 5.160 1.00 0.00 H new ATOM 2517 N ASP B 65 20.496 -5.908 5.979 1.00 0.00 N ATOM 2518 CA ASP B 65 20.656 -7.342 5.603 1.00 0.00 C ATOM 2519 C ASP B 65 19.666 -8.192 6.403 1.00 0.00 C ATOM 2520 O ASP B 65 19.991 -9.267 6.869 1.00 0.00 O ATOM 2521 CB ASP B 65 22.085 -7.795 5.913 1.00 0.00 C ATOM 2522 CG ASP B 65 22.442 -8.998 5.037 1.00 0.00 C ATOM 2523 OD1 ASP B 65 21.555 -9.787 4.760 1.00 0.00 O ATOM 2524 OD2 ASP B 65 23.597 -9.108 4.657 1.00 0.00 O ATOM 0 H ASP B 65 21.057 -5.601 6.774 1.00 0.00 H new ATOM 0 HA ASP B 65 20.460 -7.462 4.537 1.00 0.00 H new ATOM 0 HB2 ASP B 65 22.784 -6.979 5.730 1.00 0.00 H new ATOM 0 HB3 ASP B 65 22.173 -8.060 6.967 1.00 0.00 H new ATOM 2529 N GLY B 66 18.459 -7.719 6.567 1.00 0.00 N ATOM 2530 CA GLY B 66 17.450 -8.496 7.337 1.00 0.00 C ATOM 2531 C GLY B 66 16.400 -9.063 6.379 1.00 0.00 C ATOM 2532 O GLY B 66 16.378 -8.744 5.207 1.00 0.00 O ATOM 0 H GLY B 66 18.130 -6.826 6.199 1.00 0.00 H new ATOM 0 HA2 GLY B 66 17.937 -9.306 7.880 1.00 0.00 H new ATOM 0 HA3 GLY B 66 16.972 -7.856 8.079 1.00 0.00 H new ATOM 2536 N GLU B 67 15.531 -9.905 6.866 1.00 0.00 N ATOM 2537 CA GLU B 67 14.486 -10.495 5.981 1.00 0.00 C ATOM 2538 C GLU B 67 13.126 -9.862 6.293 1.00 0.00 C ATOM 2539 O GLU B 67 12.700 -9.811 7.430 1.00 0.00 O ATOM 2540 CB GLU B 67 14.413 -12.006 6.216 1.00 0.00 C ATOM 2541 CG GLU B 67 15.535 -12.700 5.440 1.00 0.00 C ATOM 2542 CD GLU B 67 15.624 -14.165 5.869 1.00 0.00 C ATOM 2543 OE1 GLU B 67 14.705 -14.626 6.525 1.00 0.00 O ATOM 2544 OE2 GLU B 67 16.609 -14.803 5.533 1.00 0.00 O ATOM 0 H GLU B 67 15.499 -10.210 7.839 1.00 0.00 H new ATOM 0 HA GLU B 67 14.743 -10.300 4.940 1.00 0.00 H new ATOM 0 HB2 GLU B 67 14.504 -12.224 7.280 1.00 0.00 H new ATOM 0 HB3 GLU B 67 13.444 -12.388 5.894 1.00 0.00 H new ATOM 0 HG2 GLU B 67 15.344 -12.635 4.369 1.00 0.00 H new ATOM 0 HG3 GLU B 67 16.484 -12.198 5.626 1.00 0.00 H new ATOM 2551 N CYS B 68 12.440 -9.379 5.291 1.00 0.00 N ATOM 2552 CA CYS B 68 11.108 -8.749 5.529 1.00 0.00 C ATOM 2553 C CYS B 68 10.003 -9.695 5.053 1.00 0.00 C ATOM 2554 O CYS B 68 10.263 -10.705 4.431 1.00 0.00 O ATOM 2555 CB CYS B 68 11.021 -7.434 4.753 1.00 0.00 C ATOM 2556 SG CYS B 68 12.185 -6.241 5.454 1.00 0.00 S ATOM 0 H CYS B 68 12.745 -9.394 4.318 1.00 0.00 H new ATOM 0 HA CYS B 68 10.984 -8.553 6.594 1.00 0.00 H new ATOM 0 HB2 CYS B 68 11.249 -7.605 3.701 1.00 0.00 H new ATOM 0 HB3 CYS B 68 10.006 -7.038 4.800 1.00 0.00 H new ATOM 0 HG CYS B 68 12.594 -5.434 4.521 1.00 0.00 H new ATOM 2562 N ASP B 69 8.768 -9.376 5.341 1.00 0.00 N ATOM 2563 CA ASP B 69 7.650 -10.260 4.905 1.00 0.00 C ATOM 2564 C ASP B 69 6.872 -9.579 3.776 1.00 0.00 C ATOM 2565 O ASP B 69 7.220 -8.502 3.333 1.00 0.00 O ATOM 2566 CB ASP B 69 6.714 -10.517 6.089 1.00 0.00 C ATOM 2567 CG ASP B 69 7.506 -11.148 7.236 1.00 0.00 C ATOM 2568 OD1 ASP B 69 8.700 -10.909 7.308 1.00 0.00 O ATOM 2569 OD2 ASP B 69 6.906 -11.861 8.023 1.00 0.00 O ATOM 0 H ASP B 69 8.487 -8.543 5.858 1.00 0.00 H new ATOM 0 HA ASP B 69 8.052 -11.208 4.547 1.00 0.00 H new ATOM 0 HB2 ASP B 69 6.260 -9.582 6.417 1.00 0.00 H new ATOM 0 HB3 ASP B 69 5.901 -11.177 5.787 1.00 0.00 H new ATOM 2574 N PHE B 70 5.820 -10.192 3.305 1.00 0.00 N ATOM 2575 CA PHE B 70 5.032 -9.562 2.207 1.00 0.00 C ATOM 2576 C PHE B 70 4.116 -8.490 2.797 1.00 0.00 C ATOM 2577 O PHE B 70 3.878 -7.467 2.190 1.00 0.00 O ATOM 2578 CB PHE B 70 4.193 -10.618 1.480 1.00 0.00 C ATOM 2579 CG PHE B 70 3.618 -11.600 2.470 1.00 0.00 C ATOM 2580 CD1 PHE B 70 2.400 -11.323 3.103 1.00 0.00 C ATOM 2581 CD2 PHE B 70 4.297 -12.793 2.748 1.00 0.00 C ATOM 2582 CE1 PHE B 70 1.861 -12.240 4.013 1.00 0.00 C ATOM 2583 CE2 PHE B 70 3.759 -13.710 3.656 1.00 0.00 C ATOM 2584 CZ PHE B 70 2.541 -13.433 4.289 1.00 0.00 C ATOM 0 H PHE B 70 5.474 -11.095 3.630 1.00 0.00 H new ATOM 0 HA PHE B 70 5.716 -9.108 1.490 1.00 0.00 H new ATOM 0 HB2 PHE B 70 3.388 -10.135 0.927 1.00 0.00 H new ATOM 0 HB3 PHE B 70 4.810 -11.144 0.751 1.00 0.00 H new ATOM 0 HD1 PHE B 70 1.877 -10.403 2.889 1.00 0.00 H new ATOM 0 HD2 PHE B 70 5.237 -13.005 2.260 1.00 0.00 H new ATOM 0 HE1 PHE B 70 0.922 -12.028 4.502 1.00 0.00 H new ATOM 0 HE2 PHE B 70 4.282 -14.631 3.869 1.00 0.00 H new ATOM 0 HZ PHE B 70 2.125 -14.140 4.991 1.00 0.00 H new ATOM 2594 N GLN B 71 3.609 -8.710 3.980 1.00 0.00 N ATOM 2595 CA GLN B 71 2.718 -7.692 4.610 1.00 0.00 C ATOM 2596 C GLN B 71 3.575 -6.569 5.189 1.00 0.00 C ATOM 2597 O GLN B 71 3.138 -5.445 5.319 1.00 0.00 O ATOM 2598 CB GLN B 71 1.905 -8.339 5.735 1.00 0.00 C ATOM 2599 CG GLN B 71 0.892 -9.316 5.138 1.00 0.00 C ATOM 2600 CD GLN B 71 -0.429 -9.214 5.901 1.00 0.00 C ATOM 2601 OE1 GLN B 71 -1.013 -10.215 6.264 1.00 0.00 O ATOM 2602 NE2 GLN B 71 -0.930 -8.036 6.160 1.00 0.00 N ATOM 0 H GLN B 71 3.772 -9.549 4.537 1.00 0.00 H new ATOM 0 HA GLN B 71 2.037 -7.291 3.859 1.00 0.00 H new ATOM 0 HB2 GLN B 71 2.569 -8.863 6.423 1.00 0.00 H new ATOM 0 HB3 GLN B 71 1.389 -7.572 6.312 1.00 0.00 H new ATOM 0 HG2 GLN B 71 0.733 -9.091 4.083 1.00 0.00 H new ATOM 0 HG3 GLN B 71 1.278 -10.334 5.192 1.00 0.00 H new ATOM 0 HE21 GLN B 71 -0.440 -7.195 5.855 1.00 0.00 H new ATOM 0 HE22 GLN B 71 -1.812 -7.957 6.667 1.00 0.00 H new ATOM 2611 N GLU B 72 4.798 -6.867 5.537 1.00 0.00 N ATOM 2612 CA GLU B 72 5.682 -5.815 6.103 1.00 0.00 C ATOM 2613 C GLU B 72 6.207 -4.944 4.963 1.00 0.00 C ATOM 2614 O GLU B 72 6.111 -3.734 5.000 1.00 0.00 O ATOM 2615 CB GLU B 72 6.852 -6.474 6.838 1.00 0.00 C ATOM 2616 CG GLU B 72 6.515 -6.589 8.325 1.00 0.00 C ATOM 2617 CD GLU B 72 7.524 -5.783 9.145 1.00 0.00 C ATOM 2618 OE1 GLU B 72 8.686 -5.778 8.777 1.00 0.00 O ATOM 2619 OE2 GLU B 72 7.115 -5.185 10.127 1.00 0.00 O ATOM 0 H GLU B 72 5.220 -7.792 5.453 1.00 0.00 H new ATOM 0 HA GLU B 72 5.124 -5.197 6.807 1.00 0.00 H new ATOM 0 HB2 GLU B 72 7.049 -7.462 6.421 1.00 0.00 H new ATOM 0 HB3 GLU B 72 7.759 -5.885 6.704 1.00 0.00 H new ATOM 0 HG2 GLU B 72 5.506 -6.221 8.509 1.00 0.00 H new ATOM 0 HG3 GLU B 72 6.534 -7.635 8.633 1.00 0.00 H new ATOM 2626 N PHE B 73 6.749 -5.550 3.943 1.00 0.00 N ATOM 2627 CA PHE B 73 7.269 -4.758 2.793 1.00 0.00 C ATOM 2628 C PHE B 73 6.107 -3.993 2.152 1.00 0.00 C ATOM 2629 O PHE B 73 6.298 -3.002 1.476 1.00 0.00 O ATOM 2630 CB PHE B 73 7.901 -5.711 1.768 1.00 0.00 C ATOM 2631 CG PHE B 73 7.998 -5.034 0.419 1.00 0.00 C ATOM 2632 CD1 PHE B 73 6.902 -5.045 -0.453 1.00 0.00 C ATOM 2633 CD2 PHE B 73 9.183 -4.397 0.042 1.00 0.00 C ATOM 2634 CE1 PHE B 73 6.994 -4.419 -1.703 1.00 0.00 C ATOM 2635 CE2 PHE B 73 9.276 -3.770 -1.206 1.00 0.00 C ATOM 2636 CZ PHE B 73 8.181 -3.781 -2.078 1.00 0.00 C ATOM 0 H PHE B 73 6.854 -6.561 3.856 1.00 0.00 H new ATOM 0 HA PHE B 73 8.024 -4.050 3.134 1.00 0.00 H new ATOM 0 HB2 PHE B 73 8.893 -6.013 2.104 1.00 0.00 H new ATOM 0 HB3 PHE B 73 7.302 -6.618 1.686 1.00 0.00 H new ATOM 0 HD1 PHE B 73 5.985 -5.536 -0.162 1.00 0.00 H new ATOM 0 HD2 PHE B 73 10.028 -4.388 0.714 1.00 0.00 H new ATOM 0 HE1 PHE B 73 6.150 -4.429 -2.376 1.00 0.00 H new ATOM 0 HE2 PHE B 73 10.192 -3.278 -1.496 1.00 0.00 H new ATOM 0 HZ PHE B 73 8.253 -3.297 -3.041 1.00 0.00 H new ATOM 2646 N MET B 74 4.904 -4.452 2.356 1.00 0.00 N ATOM 2647 CA MET B 74 3.727 -3.762 1.758 1.00 0.00 C ATOM 2648 C MET B 74 3.353 -2.548 2.606 1.00 0.00 C ATOM 2649 O MET B 74 3.275 -1.437 2.120 1.00 0.00 O ATOM 2650 CB MET B 74 2.547 -4.732 1.718 1.00 0.00 C ATOM 2651 CG MET B 74 2.097 -4.931 0.271 1.00 0.00 C ATOM 2652 SD MET B 74 0.762 -3.769 -0.106 1.00 0.00 S ATOM 2653 CE MET B 74 1.701 -2.719 -1.240 1.00 0.00 C ATOM 0 H MET B 74 4.684 -5.278 2.913 1.00 0.00 H new ATOM 0 HA MET B 74 3.973 -3.433 0.748 1.00 0.00 H new ATOM 0 HB2 MET B 74 2.834 -5.688 2.155 1.00 0.00 H new ATOM 0 HB3 MET B 74 1.723 -4.343 2.316 1.00 0.00 H new ATOM 0 HG2 MET B 74 2.935 -4.772 -0.408 1.00 0.00 H new ATOM 0 HG3 MET B 74 1.756 -5.955 0.122 1.00 0.00 H new ATOM 0 HE1 MET B 74 1.443 -1.674 -1.067 1.00 0.00 H new ATOM 0 HE2 MET B 74 2.768 -2.862 -1.069 1.00 0.00 H new ATOM 0 HE3 MET B 74 1.459 -2.987 -2.269 1.00 0.00 H new ATOM 2663 N ALA B 75 3.115 -2.752 3.871 1.00 0.00 N ATOM 2664 CA ALA B 75 2.742 -1.609 4.747 1.00 0.00 C ATOM 2665 C ALA B 75 3.931 -0.656 4.862 1.00 0.00 C ATOM 2666 O ALA B 75 3.787 0.483 5.258 1.00 0.00 O ATOM 2667 CB ALA B 75 2.350 -2.134 6.132 1.00 0.00 C ATOM 0 H ALA B 75 3.163 -3.659 4.335 1.00 0.00 H new ATOM 0 HA ALA B 75 1.894 -1.074 4.319 1.00 0.00 H new ATOM 0 HB1 ALA B 75 2.077 -1.297 6.774 1.00 0.00 H new ATOM 0 HB2 ALA B 75 1.501 -2.811 6.038 1.00 0.00 H new ATOM 0 HB3 ALA B 75 3.193 -2.668 6.571 1.00 0.00 H new ATOM 2673 N PHE B 76 5.105 -1.110 4.505 1.00 0.00 N ATOM 2674 CA PHE B 76 6.305 -0.228 4.582 1.00 0.00 C ATOM 2675 C PHE B 76 6.296 0.741 3.398 1.00 0.00 C ATOM 2676 O PHE B 76 6.644 1.898 3.524 1.00 0.00 O ATOM 2677 CB PHE B 76 7.573 -1.084 4.516 1.00 0.00 C ATOM 2678 CG PHE B 76 8.397 -0.875 5.763 1.00 0.00 C ATOM 2679 CD1 PHE B 76 7.835 -1.113 7.023 1.00 0.00 C ATOM 2680 CD2 PHE B 76 9.725 -0.444 5.659 1.00 0.00 C ATOM 2681 CE1 PHE B 76 8.601 -0.922 8.179 1.00 0.00 C ATOM 2682 CE2 PHE B 76 10.491 -0.253 6.815 1.00 0.00 C ATOM 2683 CZ PHE B 76 9.929 -0.492 8.075 1.00 0.00 C ATOM 0 H PHE B 76 5.283 -2.054 4.163 1.00 0.00 H new ATOM 0 HA PHE B 76 6.286 0.330 5.518 1.00 0.00 H new ATOM 0 HB2 PHE B 76 7.307 -2.136 4.417 1.00 0.00 H new ATOM 0 HB3 PHE B 76 8.157 -0.818 3.635 1.00 0.00 H new ATOM 0 HD1 PHE B 76 6.810 -1.444 7.103 1.00 0.00 H new ATOM 0 HD2 PHE B 76 10.158 -0.259 4.687 1.00 0.00 H new ATOM 0 HE1 PHE B 76 8.167 -1.106 9.151 1.00 0.00 H new ATOM 0 HE2 PHE B 76 11.516 0.079 6.735 1.00 0.00 H new ATOM 0 HZ PHE B 76 10.520 -0.345 8.967 1.00 0.00 H new ATOM 2693 N VAL B 77 5.905 0.272 2.245 1.00 0.00 N ATOM 2694 CA VAL B 77 5.875 1.153 1.043 1.00 0.00 C ATOM 2695 C VAL B 77 4.746 2.177 1.177 1.00 0.00 C ATOM 2696 O VAL B 77 4.804 3.257 0.621 1.00 0.00 O ATOM 2697 CB VAL B 77 5.642 0.291 -0.201 1.00 0.00 C ATOM 2698 CG1 VAL B 77 5.480 1.189 -1.431 1.00 0.00 C ATOM 2699 CG2 VAL B 77 6.841 -0.637 -0.404 1.00 0.00 C ATOM 0 H VAL B 77 5.603 -0.689 2.083 1.00 0.00 H new ATOM 0 HA VAL B 77 6.824 1.682 0.954 1.00 0.00 H new ATOM 0 HB VAL B 77 4.737 -0.301 -0.066 1.00 0.00 H new ATOM 0 HG11 VAL B 77 5.314 0.571 -2.313 1.00 0.00 H new ATOM 0 HG12 VAL B 77 4.627 1.852 -1.287 1.00 0.00 H new ATOM 0 HG13 VAL B 77 6.383 1.784 -1.569 1.00 0.00 H new ATOM 0 HG21 VAL B 77 6.679 -1.253 -1.289 1.00 0.00 H new ATOM 0 HG22 VAL B 77 7.744 -0.041 -0.537 1.00 0.00 H new ATOM 0 HG23 VAL B 77 6.956 -1.280 0.469 1.00 0.00 H new ATOM 2709 N SER B 78 3.711 1.848 1.898 1.00 0.00 N ATOM 2710 CA SER B 78 2.577 2.803 2.048 1.00 0.00 C ATOM 2711 C SER B 78 2.934 3.912 3.045 1.00 0.00 C ATOM 2712 O SER B 78 2.641 5.071 2.824 1.00 0.00 O ATOM 2713 CB SER B 78 1.341 2.049 2.540 1.00 0.00 C ATOM 2714 OG SER B 78 1.537 1.652 3.890 1.00 0.00 O ATOM 0 H SER B 78 3.601 0.961 2.389 1.00 0.00 H new ATOM 0 HA SER B 78 2.371 3.259 1.080 1.00 0.00 H new ATOM 0 HB2 SER B 78 0.459 2.684 2.461 1.00 0.00 H new ATOM 0 HB3 SER B 78 1.162 1.174 1.914 1.00 0.00 H new ATOM 0 HG SER B 78 2.429 1.258 3.989 1.00 0.00 H new ATOM 2720 N MET B 79 3.553 3.575 4.145 1.00 0.00 N ATOM 2721 CA MET B 79 3.908 4.621 5.145 1.00 0.00 C ATOM 2722 C MET B 79 4.790 5.691 4.497 1.00 0.00 C ATOM 2723 O MET B 79 4.582 6.874 4.684 1.00 0.00 O ATOM 2724 CB MET B 79 4.671 3.978 6.305 1.00 0.00 C ATOM 2725 CG MET B 79 4.027 2.642 6.676 1.00 0.00 C ATOM 2726 SD MET B 79 3.559 2.662 8.424 1.00 0.00 S ATOM 2727 CE MET B 79 4.522 1.214 8.929 1.00 0.00 C ATOM 0 H MET B 79 3.827 2.624 4.393 1.00 0.00 H new ATOM 0 HA MET B 79 2.992 5.084 5.513 1.00 0.00 H new ATOM 0 HB2 MET B 79 5.713 3.824 6.025 1.00 0.00 H new ATOM 0 HB3 MET B 79 4.668 4.645 7.167 1.00 0.00 H new ATOM 0 HG2 MET B 79 3.149 2.465 6.055 1.00 0.00 H new ATOM 0 HG3 MET B 79 4.723 1.825 6.484 1.00 0.00 H new ATOM 0 HE1 MET B 79 4.148 0.843 9.883 1.00 0.00 H new ATOM 0 HE2 MET B 79 4.428 0.433 8.174 1.00 0.00 H new ATOM 0 HE3 MET B 79 5.571 1.493 9.034 1.00 0.00 H new ATOM 2737 N VAL B 80 5.785 5.288 3.754 1.00 0.00 N ATOM 2738 CA VAL B 80 6.689 6.283 3.117 1.00 0.00 C ATOM 2739 C VAL B 80 5.963 7.033 1.994 1.00 0.00 C ATOM 2740 O VAL B 80 6.060 8.239 1.886 1.00 0.00 O ATOM 2741 CB VAL B 80 7.912 5.562 2.551 1.00 0.00 C ATOM 2742 CG1 VAL B 80 8.740 4.981 3.703 1.00 0.00 C ATOM 2743 CG2 VAL B 80 7.469 4.432 1.615 1.00 0.00 C ATOM 0 H VAL B 80 6.010 4.312 3.562 1.00 0.00 H new ATOM 0 HA VAL B 80 7.002 7.008 3.868 1.00 0.00 H new ATOM 0 HB VAL B 80 8.517 6.272 1.988 1.00 0.00 H new ATOM 0 HG11 VAL B 80 9.613 4.466 3.301 1.00 0.00 H new ATOM 0 HG12 VAL B 80 9.065 5.788 4.360 1.00 0.00 H new ATOM 0 HG13 VAL B 80 8.132 4.275 4.269 1.00 0.00 H new ATOM 0 HG21 VAL B 80 8.347 3.924 1.217 1.00 0.00 H new ATOM 0 HG22 VAL B 80 6.858 3.719 2.169 1.00 0.00 H new ATOM 0 HG23 VAL B 80 6.886 4.848 0.793 1.00 0.00 H new ATOM 2753 N THR B 81 5.240 6.342 1.155 1.00 0.00 N ATOM 2754 CA THR B 81 4.524 7.044 0.047 1.00 0.00 C ATOM 2755 C THR B 81 3.431 7.941 0.632 1.00 0.00 C ATOM 2756 O THR B 81 2.823 8.732 -0.064 1.00 0.00 O ATOM 2757 CB THR B 81 3.897 6.016 -0.899 1.00 0.00 C ATOM 2758 OG1 THR B 81 4.767 4.900 -1.030 1.00 0.00 O ATOM 2759 CG2 THR B 81 3.674 6.653 -2.273 1.00 0.00 C ATOM 0 H THR B 81 5.113 5.330 1.186 1.00 0.00 H new ATOM 0 HA THR B 81 5.234 7.655 -0.510 1.00 0.00 H new ATOM 0 HB THR B 81 2.941 5.686 -0.493 1.00 0.00 H new ATOM 0 HG1 THR B 81 4.342 4.107 -0.642 1.00 0.00 H new ATOM 0 HG21 THR B 81 3.228 5.920 -2.946 1.00 0.00 H new ATOM 0 HG22 THR B 81 3.006 7.508 -2.173 1.00 0.00 H new ATOM 0 HG23 THR B 81 4.629 6.984 -2.680 1.00 0.00 H new ATOM 2767 N THR B 82 3.178 7.831 1.908 1.00 0.00 N ATOM 2768 CA THR B 82 2.129 8.683 2.536 1.00 0.00 C ATOM 2769 C THR B 82 2.703 9.355 3.784 1.00 0.00 C ATOM 2770 O THR B 82 1.981 9.899 4.596 1.00 0.00 O ATOM 2771 CB THR B 82 0.934 7.815 2.931 1.00 0.00 C ATOM 2772 OG1 THR B 82 1.370 6.774 3.794 1.00 0.00 O ATOM 2773 CG2 THR B 82 0.302 7.209 1.677 1.00 0.00 C ATOM 0 H THR B 82 3.652 7.188 2.542 1.00 0.00 H new ATOM 0 HA THR B 82 1.805 9.444 1.826 1.00 0.00 H new ATOM 0 HB THR B 82 0.195 8.429 3.446 1.00 0.00 H new ATOM 0 HG1 THR B 82 1.615 5.989 3.261 1.00 0.00 H new ATOM 0 HG21 THR B 82 -0.550 6.591 1.961 1.00 0.00 H new ATOM 0 HG22 THR B 82 -0.034 8.008 1.016 1.00 0.00 H new ATOM 0 HG23 THR B 82 1.039 6.596 1.158 1.00 0.00 H new ATOM 2781 N ALA B 83 3.999 9.322 3.943 1.00 0.00 N ATOM 2782 CA ALA B 83 4.616 9.959 5.139 1.00 0.00 C ATOM 2783 C ALA B 83 3.983 11.335 5.362 1.00 0.00 C ATOM 2784 O ALA B 83 3.337 11.573 6.363 1.00 0.00 O ATOM 2785 CB ALA B 83 6.122 10.113 4.917 1.00 0.00 C ATOM 0 H ALA B 83 4.655 8.882 3.297 1.00 0.00 H new ATOM 0 HA ALA B 83 4.445 9.335 6.016 1.00 0.00 H new ATOM 0 HB1 ALA B 83 6.573 10.579 5.793 1.00 0.00 H new ATOM 0 HB2 ALA B 83 6.569 9.131 4.758 1.00 0.00 H new ATOM 0 HB3 ALA B 83 6.299 10.738 4.042 1.00 0.00 H new