USER MOD reduce.3.24.130724 H: found=0, std=0, add=790, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 791 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 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 126 TYR OH : rot -15:sc= 0 USER MOD Set 2.1: A 81 HIS : no HD1:sc= -0.018 X(o=-0.17,f=-0.16) USER MOD Set 2.2: A 124 TYR OH : rot 180:sc= -0.153 USER MOD Single : A 52 SER OG : rot -61:sc= 0.0198 USER MOD Single : A 53 HIS : no HD1:sc= -0.274! C(o=-0.27!,f=-7!) USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 165:sc= -0.0282 (180deg=-0.283) USER MOD Single : A 57 LYS NZ :NH3+ -159:sc= -0.0748 (180deg=-0.429) USER MOD Single : A 58 CYS SG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= -1.23 USER MOD Single : A 60 LYS NZ :NH3+ 166:sc=-0.00543 (180deg=-0.101) USER MOD Single : A 63 ASN : amide:sc= -0.382 K(o=-0.38,f=-9.3!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 1.2 (180deg=1.2) USER MOD Single : A 74 CYS SG : rot 67:sc= -0.973 USER MOD Single : A 75 LYS NZ :NH3+ 152:sc= 1.21 (180deg=0.977) USER MOD Single : A 76 MET CE :methyl 165:sc= -3.37! (180deg=-4.03!) USER MOD Single : A 77 GLN : amide:sc= -1.71! C(o=-1.7!,f=-3!) USER MOD Single : A 78 THR OG1 : rot -33:sc= 1.22 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= -2.27! C(o=-2.3!,f=-3.7!) USER MOD Single : A 92 GLN : amide:sc= -0.18 K(o=-0.18,f=-5.8!) USER MOD Single : A 93 GLN : amide:sc= -0.571 X(o=-0.57,f=-0.45) USER MOD Single : A 96 HIS : no HD1:sc= -2.52! C(o=-2.5!,f=-9.7!) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 106 CYS SG : rot 164:sc= 1.36 USER MOD Single : A 107 ASN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 108:sc= 1.28 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 128 ASN : amide:sc= -3.62! K(o=-3.6!,f=-0.82) USER MOD Single : A 131 CYS SG : rot 130:sc= -0.268! USER MOD Single : A 132 THR OG1 : rot 77:sc= 1.22 USER MOD Single : A 135 LYS NZ :NH3+ -166:sc= -0.0657 (180deg=-0.315) USER MOD Single : A 137 HIS : no HD1:sc= -1.21 K(o=-1.2,f=-2.6!) USER MOD Single : A 138 SER OG : rot 74:sc= 1.27 USER MOD Single : A 140 LYS NZ :NH3+ -157:sc= -0.0981 (180deg=-0.636) USER MOD Single : A 141 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 LYS NZ :NH3+ 161:sc= -0.0961 (180deg=-0.533) USER MOD Single : A 144 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 51 -24.626 -6.560 -9.579 1.00 11.48 N ATOM 2 CA GLY A 51 -26.007 -6.652 -9.038 1.00 11.08 C ATOM 3 C GLY A 51 -26.037 -6.836 -7.533 1.00 10.43 C ATOM 4 O GLY A 51 -27.091 -7.096 -6.954 1.00 10.45 O ATOM 0 HA2 GLY A 51 -26.556 -5.748 -9.300 1.00 11.08 H new ATOM 0 HA3 GLY A 51 -26.523 -7.487 -9.512 1.00 11.08 H new ATOM 10 N SER A 52 -24.883 -6.699 -6.896 1.00 10.08 N ATOM 11 CA SER A 52 -24.782 -6.835 -5.454 1.00 9.69 C ATOM 12 C SER A 52 -23.923 -5.699 -4.904 1.00 9.02 C ATOM 13 O SER A 52 -22.854 -5.934 -4.339 1.00 8.98 O ATOM 14 CB SER A 52 -24.173 -8.204 -5.105 1.00 10.27 C ATOM 15 OG SER A 52 -24.226 -8.466 -3.711 1.00 10.53 O ATOM 0 H SER A 52 -23.999 -6.492 -7.361 1.00 10.08 H new ATOM 0 HA SER A 52 -25.772 -6.777 -5.002 1.00 9.69 H new ATOM 0 HB2 SER A 52 -24.708 -8.987 -5.642 1.00 10.27 H new ATOM 0 HB3 SER A 52 -23.137 -8.237 -5.442 1.00 10.27 H new ATOM 0 HG SER A 52 -23.717 -7.781 -3.230 1.00 10.53 H new ATOM 21 N HIS A 53 -24.404 -4.466 -5.082 1.00 8.73 N ATOM 22 CA HIS A 53 -23.638 -3.265 -4.747 1.00 8.32 C ATOM 23 C HIS A 53 -22.367 -3.215 -5.609 1.00 7.73 C ATOM 24 O HIS A 53 -22.275 -3.912 -6.622 1.00 7.87 O ATOM 25 CB HIS A 53 -23.306 -3.234 -3.240 1.00 8.73 C ATOM 26 CG HIS A 53 -22.836 -1.900 -2.730 1.00 9.23 C ATOM 27 ND1 HIS A 53 -21.500 -1.639 -2.530 1.00 9.69 N ATOM 28 CD2 HIS A 53 -23.555 -0.800 -2.396 1.00 9.62 C ATOM 29 CE1 HIS A 53 -21.435 -0.396 -2.081 1.00 10.29 C ATOM 30 NE2 HIS A 53 -22.654 0.152 -1.985 1.00 10.28 N ATOM 0 H HIS A 53 -25.331 -4.273 -5.461 1.00 8.73 H new ATOM 0 HA HIS A 53 -24.236 -2.379 -4.962 1.00 8.32 H new ATOM 0 HB2 HIS A 53 -24.193 -3.530 -2.680 1.00 8.73 H new ATOM 0 HB3 HIS A 53 -22.536 -3.978 -3.036 1.00 8.73 H new ATOM 0 HD2 HIS A 53 -24.629 -0.693 -2.444 1.00 9.62 H new ATOM 0 HE1 HIS A 53 -20.517 0.112 -1.825 1.00 10.29 H new ATOM 0 HE2 HIS A 53 -22.872 1.096 -1.667 1.00 10.28 H new ATOM 38 N MET A 54 -21.402 -2.393 -5.238 1.00 7.35 N ATOM 39 CA MET A 54 -20.164 -2.310 -5.995 1.00 7.08 C ATOM 40 C MET A 54 -19.128 -3.266 -5.416 1.00 6.25 C ATOM 41 O MET A 54 -18.391 -3.921 -6.154 1.00 6.50 O ATOM 42 CB MET A 54 -19.623 -0.880 -6.000 1.00 7.61 C ATOM 43 CG MET A 54 -18.399 -0.704 -6.887 1.00 8.34 C ATOM 44 SD MET A 54 -18.712 -1.155 -8.608 1.00 8.78 S ATOM 45 CE MET A 54 -17.102 -0.854 -9.337 1.00 9.55 C ATOM 0 H MET A 54 -21.449 -1.778 -4.425 1.00 7.35 H new ATOM 0 HA MET A 54 -20.373 -2.598 -7.025 1.00 7.08 H new ATOM 0 HB2 MET A 54 -20.408 -0.203 -6.337 1.00 7.61 H new ATOM 0 HB3 MET A 54 -19.369 -0.591 -4.980 1.00 7.61 H new ATOM 0 HG2 MET A 54 -18.070 0.334 -6.842 1.00 8.34 H new ATOM 0 HG3 MET A 54 -17.584 -1.314 -6.499 1.00 8.34 H new ATOM 0 HE1 MET A 54 -17.135 -1.088 -10.401 1.00 9.55 H new ATOM 0 HE2 MET A 54 -16.832 0.194 -9.204 1.00 9.55 H new ATOM 0 HE3 MET A 54 -16.358 -1.485 -8.850 1.00 9.55 H new ATOM 55 N GLY A 55 -19.074 -3.348 -4.093 1.00 5.61 N ATOM 56 CA GLY A 55 -18.136 -4.243 -3.448 1.00 5.11 C ATOM 57 C GLY A 55 -18.655 -5.666 -3.340 1.00 4.35 C ATOM 58 O GLY A 55 -19.592 -6.052 -4.038 1.00 4.69 O ATOM 0 H GLY A 55 -19.663 -2.811 -3.456 1.00 5.61 H new ATOM 0 HA2 GLY A 55 -17.200 -4.244 -4.007 1.00 5.11 H new ATOM 0 HA3 GLY A 55 -17.911 -3.867 -2.450 1.00 5.11 H new ATOM 62 N LYS A 56 -18.055 -6.436 -2.438 1.00 3.64 N ATOM 63 CA LYS A 56 -18.376 -7.853 -2.267 1.00 3.11 C ATOM 64 C LYS A 56 -17.557 -8.415 -1.113 1.00 2.55 C ATOM 65 O LYS A 56 -18.097 -8.880 -0.110 1.00 2.86 O ATOM 66 CB LYS A 56 -18.141 -8.678 -3.563 1.00 3.33 C ATOM 67 CG LYS A 56 -16.712 -8.685 -4.122 1.00 3.32 C ATOM 68 CD LYS A 56 -16.345 -7.367 -4.792 1.00 4.10 C ATOM 69 CE LYS A 56 -14.977 -7.424 -5.451 1.00 4.54 C ATOM 70 NZ LYS A 56 -14.932 -8.423 -6.549 1.00 5.01 N ATOM 0 H LYS A 56 -17.332 -6.097 -1.803 1.00 3.64 H new ATOM 0 HA LYS A 56 -19.439 -7.933 -2.041 1.00 3.11 H new ATOM 0 HB2 LYS A 56 -18.436 -9.709 -3.369 1.00 3.33 H new ATOM 0 HB3 LYS A 56 -18.808 -8.296 -4.336 1.00 3.33 H new ATOM 0 HG2 LYS A 56 -16.009 -8.887 -3.314 1.00 3.32 H new ATOM 0 HG3 LYS A 56 -16.610 -9.497 -4.842 1.00 3.32 H new ATOM 0 HD2 LYS A 56 -17.098 -7.119 -5.540 1.00 4.10 H new ATOM 0 HD3 LYS A 56 -16.357 -6.568 -4.051 1.00 4.10 H new ATOM 0 HE2 LYS A 56 -14.723 -6.440 -5.845 1.00 4.54 H new ATOM 0 HE3 LYS A 56 -14.224 -7.672 -4.703 1.00 4.54 H new ATOM 0 HZ1 LYS A 56 -14.086 -8.260 -7.132 1.00 5.01 H new ATOM 0 HZ2 LYS A 56 -14.895 -9.381 -6.146 1.00 5.01 H new ATOM 0 HZ3 LYS A 56 -15.783 -8.329 -7.139 1.00 5.01 H new ATOM 84 N LYS A 57 -16.253 -8.373 -1.276 1.00 2.28 N ATOM 85 CA LYS A 57 -15.331 -8.761 -0.238 1.00 1.87 C ATOM 86 C LYS A 57 -14.673 -7.538 0.365 1.00 1.72 C ATOM 87 O LYS A 57 -14.137 -6.695 -0.357 1.00 2.48 O ATOM 88 CB LYS A 57 -14.294 -9.707 -0.806 1.00 1.84 C ATOM 89 CG LYS A 57 -14.721 -11.161 -0.763 1.00 2.16 C ATOM 90 CD LYS A 57 -13.705 -12.055 -1.451 1.00 2.61 C ATOM 91 CE LYS A 57 -13.920 -13.518 -1.108 1.00 3.28 C ATOM 92 NZ LYS A 57 -13.672 -13.786 0.333 1.00 3.67 N ATOM 0 H LYS A 57 -15.803 -8.067 -2.138 1.00 2.28 H new ATOM 0 HA LYS A 57 -15.876 -9.275 0.554 1.00 1.87 H new ATOM 0 HB2 LYS A 57 -14.084 -9.428 -1.838 1.00 1.84 H new ATOM 0 HB3 LYS A 57 -13.364 -9.592 -0.249 1.00 1.84 H new ATOM 0 HG2 LYS A 57 -14.843 -11.476 0.273 1.00 2.16 H new ATOM 0 HG3 LYS A 57 -15.692 -11.272 -1.246 1.00 2.16 H new ATOM 0 HD2 LYS A 57 -13.774 -11.921 -2.530 1.00 2.61 H new ATOM 0 HD3 LYS A 57 -12.699 -11.756 -1.156 1.00 2.61 H new ATOM 0 HE2 LYS A 57 -14.940 -13.805 -1.361 1.00 3.28 H new ATOM 0 HE3 LYS A 57 -13.256 -14.135 -1.713 1.00 3.28 H new ATOM 0 HZ1 LYS A 57 -13.476 -14.798 0.469 1.00 3.67 H new ATOM 0 HZ2 LYS A 57 -12.854 -13.229 0.654 1.00 3.67 H new ATOM 0 HZ3 LYS A 57 -14.512 -13.518 0.885 1.00 3.67 H new ATOM 106 N CYS A 58 -14.742 -7.426 1.678 1.00 1.35 N ATOM 107 CA CYS A 58 -14.129 -6.313 2.373 1.00 1.14 C ATOM 108 C CYS A 58 -12.734 -6.702 2.834 1.00 0.88 C ATOM 109 O CYS A 58 -12.558 -7.698 3.540 1.00 1.38 O ATOM 110 CB CYS A 58 -14.989 -5.892 3.564 1.00 1.36 C ATOM 111 SG CYS A 58 -16.674 -5.415 3.116 1.00 1.88 S ATOM 0 H CYS A 58 -15.218 -8.094 2.285 1.00 1.35 H new ATOM 0 HA CYS A 58 -14.052 -5.466 1.691 1.00 1.14 H new ATOM 0 HB2 CYS A 58 -15.032 -6.715 4.278 1.00 1.36 H new ATOM 0 HB3 CYS A 58 -14.507 -5.056 4.070 1.00 1.36 H new ATOM 0 HG CYS A 58 -17.328 -5.076 4.187 1.00 1.88 H new ATOM 117 N TYR A 59 -11.751 -5.915 2.442 1.00 0.42 N ATOM 118 CA TYR A 59 -10.362 -6.252 2.709 1.00 0.31 C ATOM 119 C TYR A 59 -9.706 -5.229 3.620 1.00 0.30 C ATOM 120 O TYR A 59 -8.497 -5.125 3.628 1.00 0.33 O ATOM 121 CB TYR A 59 -9.559 -6.352 1.415 1.00 0.67 C ATOM 122 CG TYR A 59 -9.962 -7.500 0.520 1.00 1.01 C ATOM 123 CD1 TYR A 59 -9.456 -8.780 0.712 1.00 1.26 C ATOM 124 CD2 TYR A 59 -10.835 -7.297 -0.529 1.00 1.22 C ATOM 125 CE1 TYR A 59 -9.815 -9.819 -0.122 1.00 1.58 C ATOM 126 CE2 TYR A 59 -11.196 -8.325 -1.370 1.00 1.56 C ATOM 127 CZ TYR A 59 -10.684 -9.585 -1.164 1.00 1.66 C ATOM 128 OH TYR A 59 -11.037 -10.609 -2.010 1.00 2.04 O ATOM 0 H TYR A 59 -11.886 -5.038 1.938 1.00 0.42 H new ATOM 0 HA TYR A 59 -10.365 -7.221 3.207 1.00 0.31 H new ATOM 0 HB2 TYR A 59 -9.667 -5.420 0.861 1.00 0.67 H new ATOM 0 HB3 TYR A 59 -8.503 -6.454 1.664 1.00 0.67 H new ATOM 0 HD1 TYR A 59 -8.771 -8.964 1.527 1.00 1.26 H new ATOM 0 HD2 TYR A 59 -11.244 -6.311 -0.694 1.00 1.22 H new ATOM 0 HE1 TYR A 59 -9.417 -10.810 0.042 1.00 1.58 H new ATOM 0 HE2 TYR A 59 -11.878 -8.143 -2.188 1.00 1.56 H new ATOM 0 HH TYR A 59 -11.658 -10.273 -2.689 1.00 2.04 H new ATOM 138 N LYS A 60 -10.492 -4.475 4.380 1.00 0.29 N ATOM 139 CA LYS A 60 -9.925 -3.450 5.261 1.00 0.29 C ATOM 140 C LYS A 60 -8.881 -4.052 6.197 1.00 0.25 C ATOM 141 O LYS A 60 -7.734 -3.621 6.215 1.00 0.26 O ATOM 142 CB LYS A 60 -11.045 -2.772 6.067 1.00 0.37 C ATOM 143 CG LYS A 60 -10.574 -1.683 7.027 1.00 0.57 C ATOM 144 CD LYS A 60 -10.113 -2.257 8.347 1.00 0.43 C ATOM 145 CE LYS A 60 -9.959 -1.165 9.373 1.00 0.76 C ATOM 146 NZ LYS A 60 -11.276 -0.706 9.886 1.00 1.62 N ATOM 0 H LYS A 60 -11.509 -4.548 4.408 1.00 0.29 H new ATOM 0 HA LYS A 60 -9.430 -2.700 4.645 1.00 0.29 H new ATOM 0 HB2 LYS A 60 -11.762 -2.337 5.371 1.00 0.37 H new ATOM 0 HB3 LYS A 60 -11.576 -3.534 6.637 1.00 0.37 H new ATOM 0 HG2 LYS A 60 -9.758 -1.124 6.569 1.00 0.57 H new ATOM 0 HG3 LYS A 60 -11.386 -0.977 7.202 1.00 0.57 H new ATOM 0 HD2 LYS A 60 -10.832 -2.996 8.700 1.00 0.43 H new ATOM 0 HD3 LYS A 60 -9.163 -2.775 8.213 1.00 0.43 H new ATOM 0 HE2 LYS A 60 -9.351 -1.527 10.202 1.00 0.76 H new ATOM 0 HE3 LYS A 60 -9.426 -0.323 8.931 1.00 0.76 H new ATOM 0 HZ1 LYS A 60 -11.135 -0.136 10.745 1.00 1.62 H new ATOM 0 HZ2 LYS A 60 -11.749 -0.129 9.161 1.00 1.62 H new ATOM 0 HZ3 LYS A 60 -11.867 -1.531 10.111 1.00 1.62 H new ATOM 160 N LEU A 61 -9.277 -5.067 6.950 1.00 0.25 N ATOM 161 CA LEU A 61 -8.356 -5.742 7.841 1.00 0.25 C ATOM 162 C LEU A 61 -7.167 -6.288 7.084 1.00 0.26 C ATOM 163 O LEU A 61 -6.025 -6.175 7.526 1.00 0.30 O ATOM 164 CB LEU A 61 -9.055 -6.874 8.561 1.00 0.30 C ATOM 165 CG LEU A 61 -9.140 -6.698 10.069 1.00 0.36 C ATOM 166 CD1 LEU A 61 -9.430 -8.031 10.737 1.00 0.66 C ATOM 167 CD2 LEU A 61 -7.861 -6.062 10.617 1.00 0.63 C ATOM 0 H LEU A 61 -10.227 -5.438 6.960 1.00 0.25 H new ATOM 0 HA LEU A 61 -8.002 -5.011 8.568 1.00 0.25 H new ATOM 0 HB2 LEU A 61 -10.064 -6.975 8.161 1.00 0.30 H new ATOM 0 HB3 LEU A 61 -8.531 -7.805 8.344 1.00 0.30 H new ATOM 0 HG LEU A 61 -9.963 -6.020 10.296 1.00 0.36 H new ATOM 0 HD11 LEU A 61 -9.488 -7.892 11.817 1.00 0.66 H new ATOM 0 HD12 LEU A 61 -10.378 -8.423 10.370 1.00 0.66 H new ATOM 0 HD13 LEU A 61 -8.632 -8.736 10.505 1.00 0.66 H new ATOM 0 HD21 LEU A 61 -7.946 -5.946 11.698 1.00 0.63 H new ATOM 0 HD22 LEU A 61 -7.009 -6.702 10.386 1.00 0.63 H new ATOM 0 HD23 LEU A 61 -7.715 -5.084 10.158 1.00 0.63 H new ATOM 179 N GLU A 62 -7.455 -6.898 5.957 1.00 0.25 N ATOM 180 CA GLU A 62 -6.433 -7.411 5.080 1.00 0.29 C ATOM 181 C GLU A 62 -5.461 -6.323 4.668 1.00 0.23 C ATOM 182 O GLU A 62 -4.265 -6.466 4.847 1.00 0.20 O ATOM 183 CB GLU A 62 -7.084 -8.028 3.863 1.00 0.39 C ATOM 184 CG GLU A 62 -6.986 -9.531 3.868 1.00 0.63 C ATOM 185 CD GLU A 62 -5.633 -10.060 3.443 1.00 1.48 C ATOM 186 OE1 GLU A 62 -4.673 -9.948 4.229 1.00 1.98 O ATOM 187 OE2 GLU A 62 -5.533 -10.635 2.338 1.00 2.20 O ATOM 0 H GLU A 62 -8.407 -7.052 5.624 1.00 0.25 H new ATOM 0 HA GLU A 62 -5.863 -8.171 5.615 1.00 0.29 H new ATOM 0 HB2 GLU A 62 -8.133 -7.734 3.825 1.00 0.39 H new ATOM 0 HB3 GLU A 62 -6.611 -7.637 2.962 1.00 0.39 H new ATOM 0 HG2 GLU A 62 -7.209 -9.896 4.870 1.00 0.63 H new ATOM 0 HG3 GLU A 62 -7.749 -9.937 3.204 1.00 0.63 H new ATOM 194 N ASN A 63 -5.987 -5.224 4.163 1.00 0.22 N ATOM 195 CA ASN A 63 -5.178 -4.185 3.558 1.00 0.19 C ATOM 196 C ASN A 63 -4.384 -3.418 4.595 1.00 0.15 C ATOM 197 O ASN A 63 -3.211 -3.127 4.378 1.00 0.16 O ATOM 198 CB ASN A 63 -6.061 -3.247 2.749 1.00 0.21 C ATOM 199 CG ASN A 63 -6.654 -3.929 1.533 1.00 0.27 C ATOM 200 OD1 ASN A 63 -6.073 -4.865 0.992 1.00 0.33 O ATOM 201 ND2 ASN A 63 -7.814 -3.466 1.100 1.00 0.27 N ATOM 0 H ASN A 63 -6.988 -5.027 4.161 1.00 0.22 H new ATOM 0 HA ASN A 63 -4.459 -4.660 2.891 1.00 0.19 H new ATOM 0 HB2 ASN A 63 -6.865 -2.871 3.382 1.00 0.21 H new ATOM 0 HB3 ASN A 63 -5.476 -2.384 2.431 1.00 0.21 H new ATOM 0 HD21 ASN A 63 -8.260 -3.889 0.286 1.00 0.27 H new ATOM 0 HD22 ASN A 63 -8.263 -2.686 1.580 1.00 0.27 H new ATOM 208 N GLU A 64 -5.015 -3.090 5.715 1.00 0.15 N ATOM 209 CA GLU A 64 -4.331 -2.550 6.852 1.00 0.16 C ATOM 210 C GLU A 64 -3.132 -3.407 7.214 1.00 0.14 C ATOM 211 O GLU A 64 -1.999 -2.936 7.282 1.00 0.17 O ATOM 212 CB GLU A 64 -5.312 -2.525 7.985 1.00 0.21 C ATOM 213 CG GLU A 64 -6.123 -1.257 8.019 1.00 0.30 C ATOM 214 CD GLU A 64 -6.515 -0.691 6.671 1.00 1.20 C ATOM 215 OE1 GLU A 64 -5.648 -0.103 5.999 1.00 1.77 O ATOM 216 OE2 GLU A 64 -7.675 -0.887 6.262 1.00 1.75 O ATOM 0 H GLU A 64 -6.021 -3.197 5.847 1.00 0.15 H new ATOM 0 HA GLU A 64 -3.961 -1.548 6.635 1.00 0.16 H new ATOM 0 HB2 GLU A 64 -5.983 -3.379 7.899 1.00 0.21 H new ATOM 0 HB3 GLU A 64 -4.776 -2.635 8.928 1.00 0.21 H new ATOM 0 HG2 GLU A 64 -7.031 -1.444 8.592 1.00 0.30 H new ATOM 0 HG3 GLU A 64 -5.556 -0.499 8.559 1.00 0.30 H new ATOM 223 N LYS A 65 -3.411 -4.684 7.405 1.00 0.13 N ATOM 224 CA LYS A 65 -2.433 -5.653 7.798 1.00 0.14 C ATOM 225 C LYS A 65 -1.365 -5.850 6.722 1.00 0.12 C ATOM 226 O LYS A 65 -0.175 -5.784 7.013 1.00 0.14 O ATOM 227 CB LYS A 65 -3.180 -6.922 8.095 1.00 0.20 C ATOM 228 CG LYS A 65 -2.355 -8.153 8.004 1.00 0.44 C ATOM 229 CD LYS A 65 -1.405 -8.312 9.176 1.00 0.86 C ATOM 230 CE LYS A 65 -0.738 -9.676 9.157 1.00 1.32 C ATOM 231 NZ LYS A 65 0.289 -9.805 10.225 1.00 1.93 N ATOM 0 H LYS A 65 -4.346 -5.073 7.286 1.00 0.13 H new ATOM 0 HA LYS A 65 -1.888 -5.317 8.681 1.00 0.14 H new ATOM 0 HB2 LYS A 65 -3.602 -6.855 9.098 1.00 0.20 H new ATOM 0 HB3 LYS A 65 -4.017 -7.008 7.402 1.00 0.20 H new ATOM 0 HG2 LYS A 65 -3.011 -9.022 7.954 1.00 0.44 H new ATOM 0 HG3 LYS A 65 -1.781 -8.133 7.077 1.00 0.44 H new ATOM 0 HD2 LYS A 65 -0.645 -7.531 9.141 1.00 0.86 H new ATOM 0 HD3 LYS A 65 -1.951 -8.183 10.111 1.00 0.86 H new ATOM 0 HE2 LYS A 65 -1.493 -10.451 9.284 1.00 1.32 H new ATOM 0 HE3 LYS A 65 -0.273 -9.840 8.185 1.00 1.32 H new ATOM 0 HZ1 LYS A 65 0.721 -10.750 10.179 1.00 1.93 H new ATOM 0 HZ2 LYS A 65 1.023 -9.081 10.090 1.00 1.93 H new ATOM 0 HZ3 LYS A 65 -0.159 -9.674 11.155 1.00 1.93 H new ATOM 245 N LEU A 66 -1.798 -6.076 5.483 1.00 0.11 N ATOM 246 CA LEU A 66 -0.884 -6.231 4.354 1.00 0.10 C ATOM 247 C LEU A 66 0.011 -5.011 4.228 1.00 0.08 C ATOM 248 O LEU A 66 1.214 -5.130 3.994 1.00 0.08 O ATOM 249 CB LEU A 66 -1.665 -6.431 3.053 1.00 0.10 C ATOM 250 CG LEU A 66 -2.468 -7.728 2.959 1.00 0.14 C ATOM 251 CD1 LEU A 66 -3.433 -7.669 1.785 1.00 0.18 C ATOM 252 CD2 LEU A 66 -1.526 -8.908 2.817 1.00 0.17 C ATOM 0 H LEU A 66 -2.784 -6.156 5.235 1.00 0.11 H new ATOM 0 HA LEU A 66 -0.267 -7.111 4.535 1.00 0.10 H new ATOM 0 HB2 LEU A 66 -2.349 -5.591 2.928 1.00 0.10 H new ATOM 0 HB3 LEU A 66 -0.963 -6.398 2.220 1.00 0.10 H new ATOM 0 HG LEU A 66 -3.050 -7.852 3.872 1.00 0.14 H new ATOM 0 HD11 LEU A 66 -3.998 -8.600 1.731 1.00 0.18 H new ATOM 0 HD12 LEU A 66 -4.121 -6.835 1.921 1.00 0.18 H new ATOM 0 HD13 LEU A 66 -2.873 -7.530 0.860 1.00 0.18 H new ATOM 0 HD21 LEU A 66 -2.104 -9.829 2.751 1.00 0.17 H new ATOM 0 HD22 LEU A 66 -0.928 -8.789 1.914 1.00 0.17 H new ATOM 0 HD23 LEU A 66 -0.868 -8.955 3.685 1.00 0.17 H new ATOM 264 N PHE A 67 -0.583 -3.836 4.394 1.00 0.07 N ATOM 265 CA PHE A 67 0.159 -2.594 4.374 1.00 0.06 C ATOM 266 C PHE A 67 1.267 -2.628 5.414 1.00 0.06 C ATOM 267 O PHE A 67 2.403 -2.292 5.116 1.00 0.07 O ATOM 268 CB PHE A 67 -0.762 -1.404 4.637 1.00 0.08 C ATOM 269 CG PHE A 67 -0.035 -0.100 4.625 1.00 0.08 C ATOM 270 CD1 PHE A 67 0.782 0.216 3.562 1.00 0.08 C ATOM 271 CD2 PHE A 67 -0.160 0.796 5.670 1.00 0.12 C ATOM 272 CE1 PHE A 67 1.473 1.414 3.537 1.00 0.08 C ATOM 273 CE2 PHE A 67 0.524 1.993 5.652 1.00 0.12 C ATOM 274 CZ PHE A 67 1.341 2.300 4.582 1.00 0.09 C ATOM 0 H PHE A 67 -1.585 -3.723 4.545 1.00 0.07 H new ATOM 0 HA PHE A 67 0.599 -2.478 3.384 1.00 0.06 H new ATOM 0 HB2 PHE A 67 -1.548 -1.384 3.882 1.00 0.08 H new ATOM 0 HB3 PHE A 67 -1.251 -1.534 5.603 1.00 0.08 H new ATOM 0 HD1 PHE A 67 0.884 -0.478 2.741 1.00 0.08 H new ATOM 0 HD2 PHE A 67 -0.799 0.557 6.507 1.00 0.12 H new ATOM 0 HE1 PHE A 67 2.113 1.653 2.701 1.00 0.08 H new ATOM 0 HE2 PHE A 67 0.421 2.688 6.472 1.00 0.12 H new ATOM 0 HZ PHE A 67 1.877 3.237 4.565 1.00 0.09 H new ATOM 284 N GLU A 68 0.923 -3.040 6.625 1.00 0.08 N ATOM 285 CA GLU A 68 1.904 -3.160 7.700 1.00 0.09 C ATOM 286 C GLU A 68 2.975 -4.163 7.335 1.00 0.10 C ATOM 287 O GLU A 68 4.152 -3.922 7.561 1.00 0.12 O ATOM 288 CB GLU A 68 1.252 -3.611 9.002 1.00 0.14 C ATOM 289 CG GLU A 68 0.031 -2.819 9.372 1.00 0.21 C ATOM 290 CD GLU A 68 -0.431 -3.094 10.784 1.00 0.87 C ATOM 291 OE1 GLU A 68 -0.981 -4.192 11.031 1.00 1.47 O ATOM 292 OE2 GLU A 68 -0.260 -2.215 11.655 1.00 1.19 O ATOM 0 H GLU A 68 -0.028 -3.298 6.891 1.00 0.08 H new ATOM 0 HA GLU A 68 2.344 -2.173 7.839 1.00 0.09 H new ATOM 0 HB2 GLU A 68 0.980 -4.663 8.916 1.00 0.14 H new ATOM 0 HB3 GLU A 68 1.981 -3.535 9.808 1.00 0.14 H new ATOM 0 HG2 GLU A 68 0.245 -1.756 9.264 1.00 0.21 H new ATOM 0 HG3 GLU A 68 -0.775 -3.054 8.677 1.00 0.21 H new ATOM 299 N GLU A 69 2.559 -5.281 6.767 1.00 0.10 N ATOM 300 CA GLU A 69 3.486 -6.343 6.394 1.00 0.12 C ATOM 301 C GLU A 69 4.516 -5.815 5.412 1.00 0.11 C ATOM 302 O GLU A 69 5.698 -6.155 5.472 1.00 0.14 O ATOM 303 CB GLU A 69 2.721 -7.489 5.748 1.00 0.15 C ATOM 304 CG GLU A 69 1.666 -8.103 6.637 1.00 0.25 C ATOM 305 CD GLU A 69 2.249 -8.803 7.840 1.00 0.81 C ATOM 306 OE1 GLU A 69 2.788 -9.915 7.674 1.00 1.34 O ATOM 307 OE2 GLU A 69 2.145 -8.265 8.961 1.00 1.21 O ATOM 0 H GLU A 69 1.582 -5.480 6.552 1.00 0.10 H new ATOM 0 HA GLU A 69 3.992 -6.699 7.292 1.00 0.12 H new ATOM 0 HB2 GLU A 69 2.247 -7.127 4.836 1.00 0.15 H new ATOM 0 HB3 GLU A 69 3.429 -8.264 5.453 1.00 0.15 H new ATOM 0 HG2 GLU A 69 0.982 -7.324 6.972 1.00 0.25 H new ATOM 0 HG3 GLU A 69 1.079 -8.815 6.057 1.00 0.25 H new ATOM 314 N PHE A 70 4.037 -4.968 4.522 1.00 0.09 N ATOM 315 CA PHE A 70 4.849 -4.366 3.503 1.00 0.09 C ATOM 316 C PHE A 70 5.646 -3.214 4.105 1.00 0.08 C ATOM 317 O PHE A 70 6.817 -3.025 3.795 1.00 0.10 O ATOM 318 CB PHE A 70 3.938 -3.894 2.375 1.00 0.09 C ATOM 319 CG PHE A 70 4.639 -3.206 1.254 1.00 0.09 C ATOM 320 CD1 PHE A 70 4.875 -1.856 1.327 1.00 0.12 C ATOM 321 CD2 PHE A 70 5.047 -3.902 0.128 1.00 0.11 C ATOM 322 CE1 PHE A 70 5.503 -1.195 0.300 1.00 0.14 C ATOM 323 CE2 PHE A 70 5.685 -3.246 -0.909 1.00 0.13 C ATOM 324 CZ PHE A 70 5.915 -1.887 -0.821 1.00 0.13 C ATOM 0 H PHE A 70 3.059 -4.680 4.493 1.00 0.09 H new ATOM 0 HA PHE A 70 5.561 -5.084 3.097 1.00 0.09 H new ATOM 0 HB2 PHE A 70 3.401 -4.755 1.976 1.00 0.09 H new ATOM 0 HB3 PHE A 70 3.191 -3.216 2.789 1.00 0.09 H new ATOM 0 HD1 PHE A 70 4.563 -1.307 2.203 1.00 0.12 H new ATOM 0 HD2 PHE A 70 4.866 -4.964 0.059 1.00 0.11 H new ATOM 0 HE1 PHE A 70 5.675 -0.131 0.370 1.00 0.14 H new ATOM 0 HE2 PHE A 70 6.002 -3.794 -1.784 1.00 0.13 H new ATOM 0 HZ PHE A 70 6.415 -1.368 -1.626 1.00 0.13 H new ATOM 334 N LEU A 71 4.986 -2.440 4.962 1.00 0.07 N ATOM 335 CA LEU A 71 5.619 -1.351 5.675 1.00 0.08 C ATOM 336 C LEU A 71 6.795 -1.831 6.518 1.00 0.08 C ATOM 337 O LEU A 71 7.907 -1.325 6.387 1.00 0.09 O ATOM 338 CB LEU A 71 4.601 -0.627 6.550 1.00 0.09 C ATOM 339 CG LEU A 71 4.105 0.689 5.967 1.00 0.10 C ATOM 340 CD1 LEU A 71 3.624 1.631 7.045 1.00 0.12 C ATOM 341 CD2 LEU A 71 5.202 1.336 5.173 1.00 0.10 C ATOM 0 H LEU A 71 3.996 -2.556 5.177 1.00 0.07 H new ATOM 0 HA LEU A 71 6.010 -0.656 4.932 1.00 0.08 H new ATOM 0 HB2 LEU A 71 3.747 -1.284 6.715 1.00 0.09 H new ATOM 0 HB3 LEU A 71 5.048 -0.435 7.525 1.00 0.09 H new ATOM 0 HG LEU A 71 3.258 0.471 5.316 1.00 0.10 H new ATOM 0 HD11 LEU A 71 3.278 2.559 6.590 1.00 0.12 H new ATOM 0 HD12 LEU A 71 2.804 1.168 7.593 1.00 0.12 H new ATOM 0 HD13 LEU A 71 4.443 1.847 7.731 1.00 0.12 H new ATOM 0 HD21 LEU A 71 4.843 2.278 4.757 1.00 0.10 H new ATOM 0 HD22 LEU A 71 6.056 1.528 5.822 1.00 0.10 H new ATOM 0 HD23 LEU A 71 5.504 0.673 4.362 1.00 0.10 H new ATOM 353 N GLU A 72 6.533 -2.795 7.391 1.00 0.08 N ATOM 354 CA GLU A 72 7.582 -3.433 8.192 1.00 0.11 C ATOM 355 C GLU A 72 8.692 -3.925 7.297 1.00 0.09 C ATOM 356 O GLU A 72 9.871 -3.716 7.571 1.00 0.12 O ATOM 357 CB GLU A 72 7.030 -4.616 8.975 1.00 0.19 C ATOM 358 CG GLU A 72 5.962 -4.213 9.949 1.00 0.26 C ATOM 359 CD GLU A 72 6.484 -3.281 11.025 1.00 0.59 C ATOM 360 OE1 GLU A 72 7.602 -3.505 11.522 1.00 0.89 O ATOM 361 OE2 GLU A 72 5.768 -2.319 11.380 1.00 1.13 O ATOM 0 H GLU A 72 5.596 -3.158 7.567 1.00 0.08 H new ATOM 0 HA GLU A 72 7.964 -2.688 8.890 1.00 0.11 H new ATOM 0 HB2 GLU A 72 6.624 -5.350 8.279 1.00 0.19 H new ATOM 0 HB3 GLU A 72 7.843 -5.102 9.513 1.00 0.19 H new ATOM 0 HG2 GLU A 72 5.149 -3.724 9.412 1.00 0.26 H new ATOM 0 HG3 GLU A 72 5.544 -5.105 10.416 1.00 0.26 H new ATOM 368 N LEU A 73 8.285 -4.597 6.237 1.00 0.10 N ATOM 369 CA LEU A 73 9.209 -5.052 5.207 1.00 0.11 C ATOM 370 C LEU A 73 10.072 -3.903 4.724 1.00 0.10 C ATOM 371 O LEU A 73 11.292 -4.009 4.714 1.00 0.12 O ATOM 372 CB LEU A 73 8.433 -5.640 4.028 1.00 0.14 C ATOM 373 CG LEU A 73 9.282 -6.077 2.833 1.00 0.20 C ATOM 374 CD1 LEU A 73 9.913 -7.431 3.082 1.00 0.49 C ATOM 375 CD2 LEU A 73 8.448 -6.106 1.568 1.00 0.46 C ATOM 0 H LEU A 73 7.311 -4.844 6.063 1.00 0.10 H new ATOM 0 HA LEU A 73 9.851 -5.821 5.636 1.00 0.11 H new ATOM 0 HB2 LEU A 73 7.865 -6.500 4.382 1.00 0.14 H new ATOM 0 HB3 LEU A 73 7.710 -4.900 3.686 1.00 0.14 H new ATOM 0 HG LEU A 73 10.082 -5.348 2.704 1.00 0.20 H new ATOM 0 HD11 LEU A 73 10.511 -7.718 2.217 1.00 0.49 H new ATOM 0 HD12 LEU A 73 10.552 -7.378 3.964 1.00 0.49 H new ATOM 0 HD13 LEU A 73 9.131 -8.173 3.245 1.00 0.49 H new ATOM 0 HD21 LEU A 73 9.070 -6.419 0.729 1.00 0.46 H new ATOM 0 HD22 LEU A 73 7.624 -6.809 1.691 1.00 0.46 H new ATOM 0 HD23 LEU A 73 8.049 -5.111 1.372 1.00 0.46 H new ATOM 387 N CYS A 74 9.439 -2.801 4.352 1.00 0.09 N ATOM 388 CA CYS A 74 10.171 -1.628 3.896 1.00 0.10 C ATOM 389 C CYS A 74 11.152 -1.167 4.963 1.00 0.11 C ATOM 390 O CYS A 74 12.315 -0.943 4.669 1.00 0.14 O ATOM 391 CB CYS A 74 9.218 -0.497 3.520 1.00 0.10 C ATOM 392 SG CYS A 74 8.132 -0.901 2.142 1.00 0.11 S ATOM 0 H CYS A 74 8.425 -2.694 4.356 1.00 0.09 H new ATOM 0 HA CYS A 74 10.731 -1.905 3.003 1.00 0.10 H new ATOM 0 HB2 CYS A 74 8.611 -0.241 4.388 1.00 0.10 H new ATOM 0 HB3 CYS A 74 9.800 0.389 3.266 1.00 0.10 H new ATOM 0 HG CYS A 74 7.307 -1.839 2.501 1.00 0.11 H new ATOM 398 N LYS A 75 10.705 -1.104 6.217 1.00 0.11 N ATOM 399 CA LYS A 75 11.574 -0.697 7.320 1.00 0.12 C ATOM 400 C LYS A 75 12.807 -1.600 7.401 1.00 0.13 C ATOM 401 O LYS A 75 13.829 -1.229 7.978 1.00 0.16 O ATOM 402 CB LYS A 75 10.803 -0.764 8.640 1.00 0.13 C ATOM 403 CG LYS A 75 9.521 0.038 8.639 1.00 0.18 C ATOM 404 CD LYS A 75 8.705 -0.235 9.883 1.00 0.20 C ATOM 405 CE LYS A 75 7.337 0.414 9.794 1.00 0.30 C ATOM 406 NZ LYS A 75 6.523 0.182 11.015 1.00 0.32 N ATOM 0 H LYS A 75 9.749 -1.329 6.494 1.00 0.11 H new ATOM 0 HA LYS A 75 11.902 0.327 7.139 1.00 0.12 H new ATOM 0 HB2 LYS A 75 10.569 -1.805 8.861 1.00 0.13 H new ATOM 0 HB3 LYS A 75 11.445 -0.404 9.444 1.00 0.13 H new ATOM 0 HG2 LYS A 75 9.754 1.101 8.580 1.00 0.18 H new ATOM 0 HG3 LYS A 75 8.934 -0.210 7.754 1.00 0.18 H new ATOM 0 HD2 LYS A 75 8.592 -1.311 10.018 1.00 0.20 H new ATOM 0 HD3 LYS A 75 9.234 0.143 10.758 1.00 0.20 H new ATOM 0 HE2 LYS A 75 7.455 1.486 9.637 1.00 0.30 H new ATOM 0 HE3 LYS A 75 6.807 0.021 8.926 1.00 0.30 H new ATOM 0 HZ1 LYS A 75 5.854 0.968 11.141 1.00 0.32 H new ATOM 0 HZ2 LYS A 75 5.996 -0.709 10.917 1.00 0.32 H new ATOM 0 HZ3 LYS A 75 7.149 0.124 11.844 1.00 0.32 H new ATOM 420 N MET A 76 12.696 -2.785 6.811 1.00 0.12 N ATOM 421 CA MET A 76 13.778 -3.752 6.811 1.00 0.13 C ATOM 422 C MET A 76 14.717 -3.548 5.621 1.00 0.14 C ATOM 423 O MET A 76 15.933 -3.670 5.761 1.00 0.16 O ATOM 424 CB MET A 76 13.200 -5.172 6.797 1.00 0.14 C ATOM 425 CG MET A 76 12.392 -5.498 8.040 1.00 0.15 C ATOM 426 SD MET A 76 12.040 -7.257 8.216 1.00 0.21 S ATOM 427 CE MET A 76 10.999 -7.553 6.794 1.00 0.40 C ATOM 0 H MET A 76 11.857 -3.097 6.323 1.00 0.12 H new ATOM 0 HA MET A 76 14.364 -3.606 7.718 1.00 0.13 H new ATOM 0 HB2 MET A 76 12.567 -5.292 5.918 1.00 0.14 H new ATOM 0 HB3 MET A 76 14.016 -5.889 6.703 1.00 0.14 H new ATOM 0 HG2 MET A 76 12.935 -5.153 8.920 1.00 0.15 H new ATOM 0 HG3 MET A 76 11.452 -4.947 8.009 1.00 0.15 H new ATOM 0 HE1 MET A 76 10.921 -8.626 6.617 1.00 0.40 H new ATOM 0 HE2 MET A 76 10.006 -7.142 6.978 1.00 0.40 H new ATOM 0 HE3 MET A 76 11.434 -7.072 5.918 1.00 0.40 H new ATOM 437 N GLN A 77 14.165 -3.229 4.450 1.00 0.14 N ATOM 438 CA GLN A 77 14.965 -3.147 3.234 1.00 0.15 C ATOM 439 C GLN A 77 15.241 -1.709 2.774 1.00 0.16 C ATOM 440 O GLN A 77 16.131 -1.486 1.950 1.00 0.22 O ATOM 441 CB GLN A 77 14.288 -3.914 2.096 1.00 0.19 C ATOM 442 CG GLN A 77 12.926 -4.494 2.427 1.00 0.21 C ATOM 443 CD GLN A 77 12.857 -5.987 2.209 1.00 0.38 C ATOM 444 OE1 GLN A 77 12.582 -6.456 1.110 1.00 0.83 O ATOM 445 NE2 GLN A 77 13.060 -6.745 3.269 1.00 0.25 N ATOM 0 H GLN A 77 13.174 -3.025 4.321 1.00 0.14 H new ATOM 0 HA GLN A 77 15.926 -3.597 3.482 1.00 0.15 H new ATOM 0 HB2 GLN A 77 14.182 -3.246 1.242 1.00 0.19 H new ATOM 0 HB3 GLN A 77 14.945 -4.726 1.786 1.00 0.19 H new ATOM 0 HG2 GLN A 77 12.684 -4.272 3.466 1.00 0.21 H new ATOM 0 HG3 GLN A 77 12.169 -4.006 1.812 1.00 0.21 H new ATOM 0 HE21 GLN A 77 13.287 -6.317 4.166 1.00 0.25 H new ATOM 0 HE22 GLN A 77 12.990 -7.760 3.191 1.00 0.25 H new ATOM 454 N THR A 78 14.500 -0.734 3.291 1.00 0.17 N ATOM 455 CA THR A 78 14.648 0.645 2.836 1.00 0.22 C ATOM 456 C THR A 78 15.451 1.459 3.830 1.00 0.30 C ATOM 457 O THR A 78 15.061 2.561 4.197 1.00 0.32 O ATOM 458 CB THR A 78 13.295 1.360 2.606 1.00 0.17 C ATOM 459 OG1 THR A 78 12.582 1.501 3.837 1.00 0.14 O ATOM 460 CG2 THR A 78 12.437 0.612 1.607 1.00 0.22 C ATOM 0 H THR A 78 13.798 -0.870 4.018 1.00 0.17 H new ATOM 0 HA THR A 78 15.168 0.581 1.880 1.00 0.22 H new ATOM 0 HB THR A 78 13.515 2.348 2.202 1.00 0.17 H new ATOM 0 HG1 THR A 78 12.768 0.730 4.413 1.00 0.14 H new ATOM 0 HG21 THR A 78 11.494 1.141 1.469 1.00 0.22 H new ATOM 0 HG22 THR A 78 12.961 0.549 0.653 1.00 0.22 H new ATOM 0 HG23 THR A 78 12.238 -0.393 1.979 1.00 0.22 H new ATOM 468 N ALA A 79 16.553 0.906 4.295 1.00 0.38 N ATOM 469 CA ALA A 79 17.454 1.624 5.177 1.00 0.50 C ATOM 470 C ALA A 79 17.901 2.956 4.589 1.00 0.52 C ATOM 471 O ALA A 79 18.112 3.927 5.317 1.00 0.55 O ATOM 472 CB ALA A 79 18.660 0.764 5.448 1.00 0.67 C ATOM 0 H ALA A 79 16.849 -0.045 4.075 1.00 0.38 H new ATOM 0 HA ALA A 79 16.917 1.841 6.100 1.00 0.50 H new ATOM 0 HB1 ALA A 79 19.344 1.295 6.110 1.00 0.67 H new ATOM 0 HB2 ALA A 79 18.345 -0.166 5.921 1.00 0.67 H new ATOM 0 HB3 ALA A 79 19.165 0.540 4.509 1.00 0.67 H new ATOM 478 N ASP A 80 18.057 3.003 3.271 1.00 0.53 N ATOM 479 CA ASP A 80 18.499 4.213 2.601 1.00 0.57 C ATOM 480 C ASP A 80 17.325 5.169 2.410 1.00 0.52 C ATOM 481 O ASP A 80 17.498 6.364 2.169 1.00 0.57 O ATOM 482 CB ASP A 80 19.123 3.846 1.252 1.00 0.65 C ATOM 483 CG ASP A 80 19.745 5.025 0.532 1.00 1.21 C ATOM 484 OD1 ASP A 80 20.860 5.437 0.910 1.00 1.94 O ATOM 485 OD2 ASP A 80 19.140 5.521 -0.442 1.00 1.46 O ATOM 0 H ASP A 80 17.883 2.215 2.648 1.00 0.53 H new ATOM 0 HA ASP A 80 19.248 4.715 3.214 1.00 0.57 H new ATOM 0 HB2 ASP A 80 19.886 3.083 1.409 1.00 0.65 H new ATOM 0 HB3 ASP A 80 18.357 3.404 0.615 1.00 0.65 H new ATOM 490 N HIS A 81 16.124 4.624 2.538 1.00 0.43 N ATOM 491 CA HIS A 81 14.897 5.414 2.425 1.00 0.38 C ATOM 492 C HIS A 81 13.946 5.130 3.580 1.00 0.29 C ATOM 493 O HIS A 81 12.875 4.564 3.382 1.00 0.23 O ATOM 494 CB HIS A 81 14.168 5.139 1.100 1.00 0.41 C ATOM 495 CG HIS A 81 14.770 5.824 -0.092 1.00 0.61 C ATOM 496 ND1 HIS A 81 14.075 6.724 -0.875 1.00 0.99 N ATOM 497 CD2 HIS A 81 16.003 5.732 -0.638 1.00 0.70 C ATOM 498 CE1 HIS A 81 14.860 7.154 -1.848 1.00 1.08 C ATOM 499 NE2 HIS A 81 16.035 6.568 -1.727 1.00 0.86 N ATOM 0 H HIS A 81 15.968 3.633 2.721 1.00 0.43 H new ATOM 0 HA HIS A 81 15.198 6.461 2.455 1.00 0.38 H new ATOM 0 HB2 HIS A 81 14.160 4.064 0.920 1.00 0.41 H new ATOM 0 HB3 HIS A 81 13.129 5.454 1.199 1.00 0.41 H new ATOM 0 HD2 HIS A 81 16.814 5.114 -0.283 1.00 0.70 H new ATOM 0 HE1 HIS A 81 14.585 7.865 -2.613 1.00 1.08 H new ATOM 0 HE2 HIS A 81 16.836 6.712 -2.341 1.00 0.86 H new ATOM 508 N PRO A 82 14.315 5.528 4.805 1.00 0.32 N ATOM 509 CA PRO A 82 13.457 5.351 5.976 1.00 0.29 C ATOM 510 C PRO A 82 12.227 6.247 5.896 1.00 0.26 C ATOM 511 O PRO A 82 11.234 6.039 6.585 1.00 0.29 O ATOM 512 CB PRO A 82 14.351 5.753 7.143 1.00 0.38 C ATOM 513 CG PRO A 82 15.399 6.631 6.560 1.00 0.44 C ATOM 514 CD PRO A 82 15.591 6.179 5.146 1.00 0.41 C ATOM 0 HA PRO A 82 13.074 4.334 6.067 1.00 0.29 H new ATOM 0 HB2 PRO A 82 13.782 6.278 7.910 1.00 0.38 H new ATOM 0 HB3 PRO A 82 14.793 4.877 7.618 1.00 0.38 H new ATOM 0 HG2 PRO A 82 15.093 7.677 6.595 1.00 0.44 H new ATOM 0 HG3 PRO A 82 16.329 6.552 7.123 1.00 0.44 H new ATOM 0 HD2 PRO A 82 15.801 7.019 4.483 1.00 0.41 H new ATOM 0 HD3 PRO A 82 16.428 5.487 5.058 1.00 0.41 H new ATOM 522 N GLU A 83 12.321 7.234 5.018 1.00 0.23 N ATOM 523 CA GLU A 83 11.244 8.175 4.734 1.00 0.21 C ATOM 524 C GLU A 83 10.112 7.495 3.974 1.00 0.17 C ATOM 525 O GLU A 83 8.985 7.988 3.921 1.00 0.18 O ATOM 526 CB GLU A 83 11.816 9.281 3.870 1.00 0.28 C ATOM 527 CG GLU A 83 12.324 8.719 2.567 1.00 0.46 C ATOM 528 CD GLU A 83 13.458 9.507 1.960 1.00 0.55 C ATOM 529 OE1 GLU A 83 13.185 10.574 1.377 1.00 1.01 O ATOM 530 OE2 GLU A 83 14.621 9.078 2.069 1.00 0.95 O ATOM 0 H GLU A 83 13.164 7.408 4.471 1.00 0.23 H new ATOM 0 HA GLU A 83 10.844 8.563 5.671 1.00 0.21 H new ATOM 0 HB2 GLU A 83 11.051 10.032 3.676 1.00 0.28 H new ATOM 0 HB3 GLU A 83 12.627 9.782 4.399 1.00 0.28 H new ATOM 0 HG2 GLU A 83 12.654 7.693 2.730 1.00 0.46 H new ATOM 0 HG3 GLU A 83 11.500 8.679 1.854 1.00 0.46 H new ATOM 537 N VAL A 84 10.445 6.367 3.376 1.00 0.15 N ATOM 538 CA VAL A 84 9.539 5.636 2.522 1.00 0.14 C ATOM 539 C VAL A 84 8.337 5.131 3.298 1.00 0.11 C ATOM 540 O VAL A 84 7.221 5.143 2.798 1.00 0.11 O ATOM 541 CB VAL A 84 10.300 4.489 1.834 1.00 0.15 C ATOM 542 CG1 VAL A 84 9.455 3.254 1.694 1.00 0.16 C ATOM 543 CG2 VAL A 84 10.807 4.950 0.480 1.00 0.21 C ATOM 0 H VAL A 84 11.362 5.931 3.473 1.00 0.15 H new ATOM 0 HA VAL A 84 9.153 6.306 1.754 1.00 0.14 H new ATOM 0 HB VAL A 84 11.148 4.222 2.465 1.00 0.15 H new ATOM 0 HG11 VAL A 84 10.033 2.471 1.203 1.00 0.16 H new ATOM 0 HG12 VAL A 84 9.145 2.911 2.681 1.00 0.16 H new ATOM 0 HG13 VAL A 84 8.573 3.483 1.096 1.00 0.16 H new ATOM 0 HG21 VAL A 84 11.345 4.135 -0.004 1.00 0.21 H new ATOM 0 HG22 VAL A 84 9.963 5.247 -0.142 1.00 0.21 H new ATOM 0 HG23 VAL A 84 11.477 5.799 0.612 1.00 0.21 H new ATOM 553 N VAL A 85 8.570 4.716 4.523 1.00 0.09 N ATOM 554 CA VAL A 85 7.505 4.263 5.382 1.00 0.09 C ATOM 555 C VAL A 85 6.529 5.388 5.726 1.00 0.10 C ATOM 556 O VAL A 85 5.337 5.242 5.517 1.00 0.10 O ATOM 557 CB VAL A 85 8.077 3.625 6.645 1.00 0.10 C ATOM 558 CG1 VAL A 85 6.998 3.425 7.683 1.00 0.13 C ATOM 559 CG2 VAL A 85 8.761 2.325 6.276 1.00 0.11 C ATOM 0 H VAL A 85 9.497 4.684 4.947 1.00 0.09 H new ATOM 0 HA VAL A 85 6.938 3.508 4.837 1.00 0.09 H new ATOM 0 HB VAL A 85 8.817 4.290 7.091 1.00 0.10 H new ATOM 0 HG11 VAL A 85 7.430 2.969 8.574 1.00 0.13 H new ATOM 0 HG12 VAL A 85 6.561 4.389 7.944 1.00 0.13 H new ATOM 0 HG13 VAL A 85 6.223 2.773 7.281 1.00 0.13 H new ATOM 0 HG21 VAL A 85 9.172 1.863 7.173 1.00 0.11 H new ATOM 0 HG22 VAL A 85 8.037 1.650 5.819 1.00 0.11 H new ATOM 0 HG23 VAL A 85 9.566 2.525 5.569 1.00 0.11 H new ATOM 569 N PRO A 86 7.008 6.514 6.273 1.00 0.12 N ATOM 570 CA PRO A 86 6.179 7.701 6.467 1.00 0.14 C ATOM 571 C PRO A 86 5.428 8.094 5.197 1.00 0.14 C ATOM 572 O PRO A 86 4.260 8.454 5.253 1.00 0.18 O ATOM 573 CB PRO A 86 7.157 8.807 6.844 1.00 0.18 C ATOM 574 CG PRO A 86 8.488 8.161 7.050 1.00 0.18 C ATOM 575 CD PRO A 86 8.360 6.689 6.791 1.00 0.14 C ATOM 0 HA PRO A 86 5.419 7.520 7.227 1.00 0.14 H new ATOM 0 HB2 PRO A 86 7.211 9.559 6.057 1.00 0.18 H new ATOM 0 HB3 PRO A 86 6.831 9.317 7.751 1.00 0.18 H new ATOM 0 HG2 PRO A 86 9.227 8.599 6.379 1.00 0.18 H new ATOM 0 HG3 PRO A 86 8.838 8.336 8.067 1.00 0.18 H new ATOM 0 HD2 PRO A 86 9.105 6.348 6.072 1.00 0.14 H new ATOM 0 HD3 PRO A 86 8.511 6.113 7.704 1.00 0.14 H new ATOM 583 N PHE A 87 6.109 8.000 4.053 1.00 0.13 N ATOM 584 CA PHE A 87 5.532 8.339 2.758 1.00 0.14 C ATOM 585 C PHE A 87 4.462 7.322 2.393 1.00 0.12 C ATOM 586 O PHE A 87 3.426 7.655 1.810 1.00 0.12 O ATOM 587 CB PHE A 87 6.648 8.334 1.702 1.00 0.18 C ATOM 588 CG PHE A 87 6.279 8.921 0.369 1.00 0.35 C ATOM 589 CD1 PHE A 87 5.019 9.430 0.146 1.00 0.35 C ATOM 590 CD2 PHE A 87 7.213 8.977 -0.653 1.00 0.85 C ATOM 591 CE1 PHE A 87 4.686 9.987 -1.072 1.00 0.43 C ATOM 592 CE2 PHE A 87 6.889 9.529 -1.875 1.00 1.01 C ATOM 593 CZ PHE A 87 5.623 10.036 -2.085 1.00 0.69 C ATOM 0 H PHE A 87 7.078 7.686 4.002 1.00 0.13 H new ATOM 0 HA PHE A 87 5.075 9.327 2.801 1.00 0.14 H new ATOM 0 HB2 PHE A 87 7.502 8.884 2.098 1.00 0.18 H new ATOM 0 HB3 PHE A 87 6.975 7.306 1.549 1.00 0.18 H new ATOM 0 HD1 PHE A 87 4.282 9.393 0.934 1.00 0.35 H new ATOM 0 HD2 PHE A 87 8.206 8.584 -0.491 1.00 0.85 H new ATOM 0 HE1 PHE A 87 3.694 10.384 -1.233 1.00 0.43 H new ATOM 0 HE2 PHE A 87 7.624 9.564 -2.665 1.00 1.01 H new ATOM 0 HZ PHE A 87 5.366 10.470 -3.040 1.00 0.69 H new ATOM 603 N LEU A 88 4.702 6.094 2.809 1.00 0.10 N ATOM 604 CA LEU A 88 3.814 4.999 2.526 1.00 0.09 C ATOM 605 C LEU A 88 2.609 5.147 3.403 1.00 0.08 C ATOM 606 O LEU A 88 1.462 5.085 2.959 1.00 0.09 O ATOM 607 CB LEU A 88 4.502 3.685 2.859 1.00 0.09 C ATOM 608 CG LEU A 88 5.001 2.888 1.674 1.00 0.10 C ATOM 609 CD1 LEU A 88 5.834 1.726 2.147 1.00 0.11 C ATOM 610 CD2 LEU A 88 3.836 2.387 0.855 1.00 0.10 C ATOM 0 H LEU A 88 5.523 5.833 3.355 1.00 0.10 H new ATOM 0 HA LEU A 88 3.535 5.003 1.472 1.00 0.09 H new ATOM 0 HB2 LEU A 88 5.347 3.894 3.515 1.00 0.09 H new ATOM 0 HB3 LEU A 88 3.806 3.065 3.424 1.00 0.09 H new ATOM 0 HG LEU A 88 5.617 3.536 1.051 1.00 0.10 H new ATOM 0 HD11 LEU A 88 6.189 1.158 1.287 1.00 0.11 H new ATOM 0 HD12 LEU A 88 6.688 2.097 2.714 1.00 0.11 H new ATOM 0 HD13 LEU A 88 5.229 1.080 2.784 1.00 0.11 H new ATOM 0 HD21 LEU A 88 4.208 1.815 0.005 1.00 0.10 H new ATOM 0 HD22 LEU A 88 3.204 1.749 1.473 1.00 0.10 H new ATOM 0 HD23 LEU A 88 3.253 3.235 0.495 1.00 0.10 H new ATOM 622 N TYR A 89 2.914 5.372 4.666 1.00 0.08 N ATOM 623 CA TYR A 89 1.940 5.500 5.700 1.00 0.09 C ATOM 624 C TYR A 89 1.007 6.646 5.380 1.00 0.09 C ATOM 625 O TYR A 89 -0.201 6.501 5.382 1.00 0.11 O ATOM 626 CB TYR A 89 2.666 5.793 7.010 1.00 0.10 C ATOM 627 CG TYR A 89 2.351 4.825 8.094 1.00 0.13 C ATOM 628 CD1 TYR A 89 1.064 4.393 8.258 1.00 0.14 C ATOM 629 CD2 TYR A 89 3.329 4.354 8.947 1.00 0.16 C ATOM 630 CE1 TYR A 89 0.731 3.505 9.240 1.00 0.19 C ATOM 631 CE2 TYR A 89 3.022 3.459 9.942 1.00 0.20 C ATOM 632 CZ TYR A 89 1.715 3.032 10.091 1.00 0.22 C ATOM 633 OH TYR A 89 1.393 2.142 11.088 1.00 0.27 O ATOM 0 H TYR A 89 3.874 5.471 4.996 1.00 0.08 H new ATOM 0 HA TYR A 89 1.361 4.580 5.784 1.00 0.09 H new ATOM 0 HB2 TYR A 89 3.741 5.786 6.829 1.00 0.10 H new ATOM 0 HB3 TYR A 89 2.405 6.797 7.344 1.00 0.10 H new ATOM 0 HD1 TYR A 89 0.294 4.762 7.596 1.00 0.14 H new ATOM 0 HD2 TYR A 89 4.348 4.694 8.830 1.00 0.16 H new ATOM 0 HE1 TYR A 89 -0.291 3.174 9.352 1.00 0.19 H new ATOM 0 HE2 TYR A 89 3.794 3.092 10.602 1.00 0.20 H new ATOM 0 HH TYR A 89 2.200 1.911 11.593 1.00 0.27 H new ATOM 643 N ASN A 90 1.621 7.775 5.081 1.00 0.09 N ATOM 644 CA ASN A 90 0.941 8.991 4.677 1.00 0.09 C ATOM 645 C ASN A 90 -0.028 8.721 3.544 1.00 0.09 C ATOM 646 O ASN A 90 -1.222 8.915 3.692 1.00 0.10 O ATOM 647 CB ASN A 90 2.032 9.972 4.261 1.00 0.11 C ATOM 648 CG ASN A 90 1.583 11.169 3.474 1.00 0.24 C ATOM 649 OD1 ASN A 90 1.096 12.156 4.021 1.00 0.43 O ATOM 650 ND2 ASN A 90 1.837 11.108 2.180 1.00 0.40 N ATOM 0 H ASN A 90 2.636 7.874 5.113 1.00 0.09 H new ATOM 0 HA ASN A 90 0.343 9.401 5.491 1.00 0.09 H new ATOM 0 HB2 ASN A 90 2.538 10.323 5.160 1.00 0.11 H new ATOM 0 HB3 ASN A 90 2.772 9.431 3.670 1.00 0.11 H new ATOM 0 HD21 ASN A 90 1.628 11.907 1.581 1.00 0.40 H new ATOM 0 HD22 ASN A 90 2.242 10.262 1.779 1.00 0.40 H new ATOM 657 N ARG A 91 0.492 8.224 2.440 1.00 0.08 N ATOM 658 CA ARG A 91 -0.322 7.905 1.271 1.00 0.10 C ATOM 659 C ARG A 91 -1.515 7.039 1.652 1.00 0.09 C ATOM 660 O ARG A 91 -2.637 7.294 1.224 1.00 0.11 O ATOM 661 CB ARG A 91 0.520 7.166 0.227 1.00 0.13 C ATOM 662 CG ARG A 91 1.371 8.063 -0.644 1.00 0.16 C ATOM 663 CD ARG A 91 0.511 8.937 -1.535 1.00 0.29 C ATOM 664 NE ARG A 91 1.322 9.783 -2.407 1.00 0.88 N ATOM 665 CZ ARG A 91 1.388 11.109 -2.322 1.00 1.05 C ATOM 666 NH1 ARG A 91 0.654 11.761 -1.431 1.00 1.35 N ATOM 667 NH2 ARG A 91 2.186 11.783 -3.137 1.00 1.64 N ATOM 0 H ARG A 91 1.486 8.028 2.322 1.00 0.08 H new ATOM 0 HA ARG A 91 -0.687 8.844 0.855 1.00 0.10 H new ATOM 0 HB2 ARG A 91 1.170 6.456 0.739 1.00 0.13 H new ATOM 0 HB3 ARG A 91 -0.145 6.585 -0.412 1.00 0.13 H new ATOM 0 HG2 ARG A 91 2.004 8.690 -0.016 1.00 0.16 H new ATOM 0 HG3 ARG A 91 2.035 7.455 -1.258 1.00 0.16 H new ATOM 0 HD2 ARG A 91 -0.141 8.308 -2.142 1.00 0.29 H new ATOM 0 HD3 ARG A 91 -0.134 9.563 -0.918 1.00 0.29 H new ATOM 0 HE ARG A 91 1.876 9.325 -3.131 1.00 0.88 H new ATOM 0 HH11 ARG A 91 0.034 11.246 -0.806 1.00 1.35 H new ATOM 0 HH12 ARG A 91 0.709 12.778 -1.371 1.00 1.35 H new ATOM 0 HH21 ARG A 91 2.748 11.285 -3.828 1.00 1.64 H new ATOM 0 HH22 ARG A 91 2.238 12.800 -3.074 1.00 1.64 H new ATOM 681 N GLN A 92 -1.258 6.030 2.467 1.00 0.09 N ATOM 682 CA GLN A 92 -2.281 5.081 2.873 1.00 0.12 C ATOM 683 C GLN A 92 -3.264 5.727 3.845 1.00 0.11 C ATOM 684 O GLN A 92 -4.477 5.586 3.710 1.00 0.13 O ATOM 685 CB GLN A 92 -1.603 3.870 3.509 1.00 0.18 C ATOM 686 CG GLN A 92 -2.409 2.594 3.397 1.00 0.35 C ATOM 687 CD GLN A 92 -3.296 2.322 4.597 1.00 0.42 C ATOM 688 OE1 GLN A 92 -3.712 3.229 5.313 1.00 1.05 O ATOM 689 NE2 GLN A 92 -3.595 1.057 4.803 1.00 0.36 N ATOM 0 H GLN A 92 -0.337 5.846 2.865 1.00 0.09 H new ATOM 0 HA GLN A 92 -2.849 4.762 2.000 1.00 0.12 H new ATOM 0 HB2 GLN A 92 -0.632 3.719 3.037 1.00 0.18 H new ATOM 0 HB3 GLN A 92 -1.416 4.080 4.562 1.00 0.18 H new ATOM 0 HG2 GLN A 92 -3.030 2.645 2.502 1.00 0.35 H new ATOM 0 HG3 GLN A 92 -1.726 1.755 3.264 1.00 0.35 H new ATOM 0 HE21 GLN A 92 -3.226 0.338 4.181 1.00 0.36 H new ATOM 0 HE22 GLN A 92 -4.196 0.796 5.585 1.00 0.36 H new ATOM 698 N GLN A 93 -2.724 6.455 4.808 1.00 0.12 N ATOM 699 CA GLN A 93 -3.522 7.146 5.812 1.00 0.14 C ATOM 700 C GLN A 93 -4.460 8.159 5.159 1.00 0.16 C ATOM 701 O GLN A 93 -5.574 8.394 5.628 1.00 0.20 O ATOM 702 CB GLN A 93 -2.607 7.858 6.816 1.00 0.15 C ATOM 703 CG GLN A 93 -1.923 6.922 7.796 1.00 0.15 C ATOM 704 CD GLN A 93 -2.870 5.923 8.418 1.00 0.21 C ATOM 705 OE1 GLN A 93 -3.512 6.198 9.430 1.00 0.28 O ATOM 706 NE2 GLN A 93 -2.933 4.747 7.828 1.00 0.22 N ATOM 0 H GLN A 93 -1.718 6.585 4.918 1.00 0.12 H new ATOM 0 HA GLN A 93 -4.124 6.404 6.337 1.00 0.14 H new ATOM 0 HB2 GLN A 93 -1.846 8.414 6.268 1.00 0.15 H new ATOM 0 HB3 GLN A 93 -3.194 8.587 7.374 1.00 0.15 H new ATOM 0 HG2 GLN A 93 -1.125 6.386 7.282 1.00 0.15 H new ATOM 0 HG3 GLN A 93 -1.455 7.510 8.585 1.00 0.15 H new ATOM 0 HE21 GLN A 93 -2.381 4.567 6.990 1.00 0.22 H new ATOM 0 HE22 GLN A 93 -3.534 4.017 8.209 1.00 0.22 H new ATOM 715 N ARG A 94 -3.988 8.761 4.080 1.00 0.14 N ATOM 716 CA ARG A 94 -4.743 9.784 3.370 1.00 0.15 C ATOM 717 C ARG A 94 -5.630 9.174 2.284 1.00 0.14 C ATOM 718 O ARG A 94 -6.422 9.874 1.642 1.00 0.19 O ATOM 719 CB ARG A 94 -3.770 10.776 2.748 1.00 0.21 C ATOM 720 CG ARG A 94 -2.707 11.248 3.714 1.00 0.76 C ATOM 721 CD ARG A 94 -1.639 12.053 3.011 1.00 0.64 C ATOM 722 NE ARG A 94 -2.194 13.187 2.275 1.00 0.86 N ATOM 723 CZ ARG A 94 -2.368 13.209 0.957 1.00 1.04 C ATOM 724 NH1 ARG A 94 -2.091 12.133 0.232 1.00 1.60 N ATOM 725 NH2 ARG A 94 -2.856 14.290 0.371 1.00 1.40 N ATOM 0 H ARG A 94 -3.076 8.557 3.672 1.00 0.14 H new ATOM 0 HA ARG A 94 -5.394 10.291 4.082 1.00 0.15 H new ATOM 0 HB2 ARG A 94 -3.290 10.313 1.886 1.00 0.21 H new ATOM 0 HB3 ARG A 94 -4.326 11.638 2.379 1.00 0.21 H new ATOM 0 HG2 ARG A 94 -3.166 11.854 4.495 1.00 0.76 H new ATOM 0 HG3 ARG A 94 -2.252 10.388 4.205 1.00 0.76 H new ATOM 0 HD2 ARG A 94 -0.919 12.416 3.744 1.00 0.64 H new ATOM 0 HD3 ARG A 94 -1.094 11.407 2.322 1.00 0.64 H new ATOM 0 HE ARG A 94 -2.465 14.014 2.806 1.00 0.86 H new ATOM 0 HH11 ARG A 94 -1.744 11.288 0.686 1.00 1.60 H new ATOM 0 HH12 ARG A 94 -2.225 12.151 -0.779 1.00 1.60 H new ATOM 0 HH21 ARG A 94 -3.099 15.108 0.930 1.00 1.40 H new ATOM 0 HH22 ARG A 94 -2.989 14.306 -0.640 1.00 1.40 H new ATOM 739 N ALA A 95 -5.501 7.870 2.092 1.00 0.12 N ATOM 740 CA ALA A 95 -6.249 7.170 1.055 1.00 0.12 C ATOM 741 C ALA A 95 -7.696 6.956 1.472 1.00 0.13 C ATOM 742 O ALA A 95 -8.052 7.113 2.643 1.00 0.17 O ATOM 743 CB ALA A 95 -5.598 5.835 0.724 1.00 0.13 C ATOM 0 H ALA A 95 -4.884 7.272 2.642 1.00 0.12 H new ATOM 0 HA ALA A 95 -6.237 7.795 0.162 1.00 0.12 H new ATOM 0 HB1 ALA A 95 -6.174 5.332 -0.052 1.00 0.13 H new ATOM 0 HB2 ALA A 95 -4.581 6.004 0.369 1.00 0.13 H new ATOM 0 HB3 ALA A 95 -5.571 5.212 1.618 1.00 0.13 H new ATOM 749 N HIS A 96 -8.527 6.610 0.499 1.00 0.12 N ATOM 750 CA HIS A 96 -9.936 6.361 0.742 1.00 0.13 C ATOM 751 C HIS A 96 -10.112 5.106 1.567 1.00 0.13 C ATOM 752 O HIS A 96 -9.691 4.032 1.153 1.00 0.12 O ATOM 753 CB HIS A 96 -10.676 6.193 -0.583 1.00 0.14 C ATOM 754 CG HIS A 96 -12.113 6.568 -0.479 1.00 0.18 C ATOM 755 ND1 HIS A 96 -12.913 6.007 0.474 1.00 0.20 N ATOM 756 CD2 HIS A 96 -12.825 7.481 -1.179 1.00 0.23 C ATOM 757 CE1 HIS A 96 -14.085 6.583 0.347 1.00 0.23 C ATOM 758 NE2 HIS A 96 -14.087 7.488 -0.643 1.00 0.25 N ATOM 0 H HIS A 96 -8.244 6.495 -0.474 1.00 0.12 H new ATOM 0 HA HIS A 96 -10.346 7.213 1.285 1.00 0.13 H new ATOM 0 HB2 HIS A 96 -10.197 6.808 -1.345 1.00 0.14 H new ATOM 0 HB3 HIS A 96 -10.596 5.157 -0.912 1.00 0.14 H new ATOM 0 HD2 HIS A 96 -12.469 8.086 -2.000 1.00 0.23 H new ATOM 0 HE1 HIS A 96 -14.942 6.356 0.964 1.00 0.23 H new ATOM 0 HE2 HIS A 96 -14.873 8.067 -0.939 1.00 0.25 H new ATOM 766 N SER A 97 -10.726 5.245 2.736 1.00 0.16 N ATOM 767 CA SER A 97 -10.996 4.109 3.602 1.00 0.20 C ATOM 768 C SER A 97 -11.816 3.042 2.879 1.00 0.18 C ATOM 769 O SER A 97 -11.658 1.856 3.149 1.00 0.18 O ATOM 770 CB SER A 97 -11.713 4.569 4.878 1.00 0.29 C ATOM 771 OG SER A 97 -11.927 3.487 5.772 1.00 1.32 O ATOM 0 H SER A 97 -11.047 6.140 3.106 1.00 0.16 H new ATOM 0 HA SER A 97 -10.041 3.662 3.879 1.00 0.20 H new ATOM 0 HB2 SER A 97 -11.121 5.339 5.372 1.00 0.29 H new ATOM 0 HB3 SER A 97 -12.670 5.021 4.616 1.00 0.29 H new ATOM 0 HG SER A 97 -12.384 3.812 6.576 1.00 1.32 H new ATOM 777 N LEU A 98 -12.700 3.453 1.970 1.00 0.18 N ATOM 778 CA LEU A 98 -13.418 2.501 1.127 1.00 0.18 C ATOM 779 C LEU A 98 -12.461 1.704 0.265 1.00 0.15 C ATOM 780 O LEU A 98 -12.611 0.500 0.092 1.00 0.18 O ATOM 781 CB LEU A 98 -14.382 3.218 0.205 1.00 0.21 C ATOM 782 CG LEU A 98 -15.714 3.613 0.817 1.00 0.28 C ATOM 783 CD1 LEU A 98 -16.603 4.200 -0.258 1.00 0.57 C ATOM 784 CD2 LEU A 98 -16.388 2.421 1.479 1.00 0.61 C ATOM 0 H LEU A 98 -12.934 4.431 1.800 1.00 0.18 H new ATOM 0 HA LEU A 98 -13.961 1.833 1.796 1.00 0.18 H new ATOM 0 HB2 LEU A 98 -13.895 4.118 -0.170 1.00 0.21 H new ATOM 0 HB3 LEU A 98 -14.575 2.578 -0.656 1.00 0.21 H new ATOM 0 HG LEU A 98 -15.539 4.361 1.590 1.00 0.28 H new ATOM 0 HD11 LEU A 98 -17.561 4.485 0.177 1.00 0.57 H new ATOM 0 HD12 LEU A 98 -16.123 5.080 -0.687 1.00 0.57 H new ATOM 0 HD13 LEU A 98 -16.766 3.459 -1.040 1.00 0.57 H new ATOM 0 HD21 LEU A 98 -17.340 2.734 1.909 1.00 0.61 H new ATOM 0 HD22 LEU A 98 -16.563 1.643 0.736 1.00 0.61 H new ATOM 0 HD23 LEU A 98 -15.745 2.031 2.268 1.00 0.61 H new ATOM 796 N PHE A 99 -11.486 2.408 -0.273 1.00 0.12 N ATOM 797 CA PHE A 99 -10.465 1.809 -1.116 1.00 0.11 C ATOM 798 C PHE A 99 -9.552 0.924 -0.280 1.00 0.11 C ATOM 799 O PHE A 99 -9.206 -0.187 -0.679 1.00 0.12 O ATOM 800 CB PHE A 99 -9.649 2.897 -1.815 1.00 0.12 C ATOM 801 CG PHE A 99 -8.374 2.386 -2.402 1.00 0.13 C ATOM 802 CD1 PHE A 99 -8.406 1.491 -3.445 1.00 0.15 C ATOM 803 CD2 PHE A 99 -7.151 2.795 -1.902 1.00 0.18 C ATOM 804 CE1 PHE A 99 -7.238 1.002 -3.992 1.00 0.18 C ATOM 805 CE2 PHE A 99 -5.977 2.313 -2.442 1.00 0.20 C ATOM 806 CZ PHE A 99 -6.021 1.414 -3.489 1.00 0.18 C ATOM 0 H PHE A 99 -11.377 3.413 -0.139 1.00 0.12 H new ATOM 0 HA PHE A 99 -10.952 1.197 -1.875 1.00 0.11 H new ATOM 0 HB2 PHE A 99 -10.252 3.344 -2.605 1.00 0.12 H new ATOM 0 HB3 PHE A 99 -9.422 3.688 -1.101 1.00 0.12 H new ATOM 0 HD1 PHE A 99 -9.357 1.167 -3.841 1.00 0.15 H new ATOM 0 HD2 PHE A 99 -7.115 3.497 -1.082 1.00 0.18 H new ATOM 0 HE1 PHE A 99 -7.276 0.299 -4.811 1.00 0.18 H new ATOM 0 HE2 PHE A 99 -5.026 2.638 -2.047 1.00 0.20 H new ATOM 0 HZ PHE A 99 -5.104 1.034 -3.914 1.00 0.18 H new ATOM 816 N LEU A 100 -9.176 1.428 0.885 1.00 0.12 N ATOM 817 CA LEU A 100 -8.359 0.682 1.829 1.00 0.14 C ATOM 818 C LEU A 100 -9.099 -0.554 2.306 1.00 0.16 C ATOM 819 O LEU A 100 -8.496 -1.524 2.734 1.00 0.21 O ATOM 820 CB LEU A 100 -8.008 1.567 3.020 1.00 0.17 C ATOM 821 CG LEU A 100 -7.322 2.872 2.657 1.00 0.17 C ATOM 822 CD1 LEU A 100 -7.399 3.845 3.817 1.00 0.21 C ATOM 823 CD2 LEU A 100 -5.885 2.604 2.273 1.00 0.22 C ATOM 0 H LEU A 100 -9.428 2.364 1.202 1.00 0.12 H new ATOM 0 HA LEU A 100 -7.442 0.370 1.329 1.00 0.14 H new ATOM 0 HB2 LEU A 100 -8.922 1.793 3.570 1.00 0.17 H new ATOM 0 HB3 LEU A 100 -7.360 1.006 3.694 1.00 0.17 H new ATOM 0 HG LEU A 100 -7.831 3.321 1.804 1.00 0.17 H new ATOM 0 HD11 LEU A 100 -6.903 4.777 3.544 1.00 0.21 H new ATOM 0 HD12 LEU A 100 -8.444 4.046 4.055 1.00 0.21 H new ATOM 0 HD13 LEU A 100 -6.905 3.413 4.688 1.00 0.21 H new ATOM 0 HD21 LEU A 100 -5.397 3.543 2.013 1.00 0.22 H new ATOM 0 HD22 LEU A 100 -5.364 2.144 3.113 1.00 0.22 H new ATOM 0 HD23 LEU A 100 -5.857 1.931 1.416 1.00 0.22 H new ATOM 835 N ALA A 101 -10.418 -0.508 2.242 1.00 0.16 N ATOM 836 CA ALA A 101 -11.228 -1.672 2.555 1.00 0.19 C ATOM 837 C ALA A 101 -11.691 -2.392 1.292 1.00 0.21 C ATOM 838 O ALA A 101 -12.467 -3.349 1.369 1.00 0.37 O ATOM 839 CB ALA A 101 -12.428 -1.266 3.391 1.00 0.23 C ATOM 0 H ALA A 101 -10.950 0.321 1.977 1.00 0.16 H new ATOM 0 HA ALA A 101 -10.607 -2.363 3.125 1.00 0.19 H new ATOM 0 HB1 ALA A 101 -13.027 -2.147 3.619 1.00 0.23 H new ATOM 0 HB2 ALA A 101 -12.087 -0.809 4.320 1.00 0.23 H new ATOM 0 HB3 ALA A 101 -13.033 -0.550 2.835 1.00 0.23 H new ATOM 845 N SER A 102 -11.205 -1.959 0.132 1.00 0.13 N ATOM 846 CA SER A 102 -11.684 -2.512 -1.125 1.00 0.15 C ATOM 847 C SER A 102 -10.732 -3.558 -1.678 1.00 0.17 C ATOM 848 O SER A 102 -9.568 -3.656 -1.277 1.00 0.25 O ATOM 849 CB SER A 102 -11.915 -1.429 -2.174 1.00 0.18 C ATOM 850 OG SER A 102 -12.882 -1.845 -3.123 1.00 1.40 O ATOM 0 H SER A 102 -10.490 -1.237 0.039 1.00 0.13 H new ATOM 0 HA SER A 102 -12.639 -2.988 -0.902 1.00 0.15 H new ATOM 0 HB2 SER A 102 -12.247 -0.511 -1.689 1.00 0.18 H new ATOM 0 HB3 SER A 102 -10.977 -1.201 -2.680 1.00 0.18 H new ATOM 0 HG SER A 102 -13.016 -1.136 -3.786 1.00 1.40 H new ATOM 856 N ALA A 103 -11.259 -4.332 -2.601 1.00 0.20 N ATOM 857 CA ALA A 103 -10.522 -5.383 -3.270 1.00 0.21 C ATOM 858 C ALA A 103 -9.272 -4.858 -3.960 1.00 0.18 C ATOM 859 O ALA A 103 -8.216 -5.487 -3.907 1.00 0.19 O ATOM 860 CB ALA A 103 -11.427 -6.027 -4.285 1.00 0.27 C ATOM 0 H ALA A 103 -12.226 -4.248 -2.913 1.00 0.20 H new ATOM 0 HA ALA A 103 -10.197 -6.106 -2.522 1.00 0.21 H new ATOM 0 HB1 ALA A 103 -10.888 -6.822 -4.800 1.00 0.27 H new ATOM 0 HB2 ALA A 103 -12.298 -6.446 -3.782 1.00 0.27 H new ATOM 0 HB3 ALA A 103 -11.751 -5.280 -5.010 1.00 0.27 H new ATOM 866 N GLU A 104 -9.400 -3.705 -4.606 1.00 0.17 N ATOM 867 CA GLU A 104 -8.315 -3.160 -5.419 1.00 0.17 C ATOM 868 C GLU A 104 -7.027 -3.019 -4.619 1.00 0.14 C ATOM 869 O GLU A 104 -5.965 -3.426 -5.083 1.00 0.14 O ATOM 870 CB GLU A 104 -8.687 -1.813 -6.005 1.00 0.22 C ATOM 871 CG GLU A 104 -7.868 -1.460 -7.233 1.00 0.30 C ATOM 872 CD GLU A 104 -8.140 -0.064 -7.756 1.00 0.97 C ATOM 873 OE1 GLU A 104 -9.299 0.400 -7.652 1.00 1.29 O ATOM 874 OE2 GLU A 104 -7.197 0.586 -8.249 1.00 1.70 O ATOM 0 H GLU A 104 -10.242 -3.129 -4.584 1.00 0.17 H new ATOM 0 HA GLU A 104 -8.149 -3.870 -6.230 1.00 0.17 H new ATOM 0 HB2 GLU A 104 -9.745 -1.816 -6.268 1.00 0.22 H new ATOM 0 HB3 GLU A 104 -8.549 -1.042 -5.247 1.00 0.22 H new ATOM 0 HG2 GLU A 104 -6.809 -1.550 -6.992 1.00 0.30 H new ATOM 0 HG3 GLU A 104 -8.078 -2.183 -8.021 1.00 0.30 H new ATOM 881 N PHE A 105 -7.110 -2.457 -3.417 1.00 0.13 N ATOM 882 CA PHE A 105 -5.924 -2.267 -2.598 1.00 0.13 C ATOM 883 C PHE A 105 -5.333 -3.616 -2.217 1.00 0.12 C ATOM 884 O PHE A 105 -4.120 -3.766 -2.177 1.00 0.13 O ATOM 885 CB PHE A 105 -6.254 -1.452 -1.341 1.00 0.13 C ATOM 886 CG PHE A 105 -5.034 -0.975 -0.602 1.00 0.12 C ATOM 887 CD1 PHE A 105 -3.873 -0.697 -1.297 1.00 0.12 C ATOM 888 CD2 PHE A 105 -5.047 -0.793 0.774 1.00 0.14 C ATOM 889 CE1 PHE A 105 -2.745 -0.251 -0.639 1.00 0.13 C ATOM 890 CE2 PHE A 105 -3.918 -0.348 1.436 1.00 0.15 C ATOM 891 CZ PHE A 105 -2.766 -0.073 0.726 1.00 0.14 C ATOM 0 H PHE A 105 -7.978 -2.129 -2.994 1.00 0.13 H new ATOM 0 HA PHE A 105 -5.188 -1.710 -3.178 1.00 0.13 H new ATOM 0 HB2 PHE A 105 -6.859 -0.590 -1.624 1.00 0.13 H new ATOM 0 HB3 PHE A 105 -6.861 -2.061 -0.671 1.00 0.13 H new ATOM 0 HD1 PHE A 105 -3.848 -0.830 -2.368 1.00 0.12 H new ATOM 0 HD2 PHE A 105 -5.948 -1.001 1.333 1.00 0.14 H new ATOM 0 HE1 PHE A 105 -1.844 -0.041 -1.196 1.00 0.13 H new ATOM 0 HE2 PHE A 105 -3.937 -0.216 2.508 1.00 0.15 H new ATOM 0 HZ PHE A 105 -1.884 0.281 1.240 1.00 0.14 H new ATOM 901 N CYS A 106 -6.193 -4.599 -1.974 1.00 0.13 N ATOM 902 CA CYS A 106 -5.738 -5.947 -1.652 1.00 0.15 C ATOM 903 C CYS A 106 -4.996 -6.531 -2.842 1.00 0.15 C ATOM 904 O CYS A 106 -3.924 -7.120 -2.700 1.00 0.16 O ATOM 905 CB CYS A 106 -6.927 -6.838 -1.281 1.00 0.19 C ATOM 906 SG CYS A 106 -6.454 -8.465 -0.654 1.00 0.29 S ATOM 0 H CYS A 106 -7.207 -4.488 -1.994 1.00 0.13 H new ATOM 0 HA CYS A 106 -5.064 -5.900 -0.796 1.00 0.15 H new ATOM 0 HB2 CYS A 106 -7.528 -6.330 -0.527 1.00 0.19 H new ATOM 0 HB3 CYS A 106 -7.560 -6.968 -2.159 1.00 0.19 H new ATOM 0 HG CYS A 106 -7.468 -9.008 -0.047 1.00 0.29 H new ATOM 912 N ASN A 107 -5.588 -6.348 -4.011 1.00 0.14 N ATOM 913 CA ASN A 107 -4.992 -6.738 -5.287 1.00 0.16 C ATOM 914 C ASN A 107 -3.588 -6.185 -5.401 1.00 0.15 C ATOM 915 O ASN A 107 -2.625 -6.904 -5.642 1.00 0.17 O ATOM 916 CB ASN A 107 -5.825 -6.147 -6.426 1.00 0.18 C ATOM 917 CG ASN A 107 -5.996 -7.088 -7.600 1.00 0.24 C ATOM 918 OD1 ASN A 107 -5.134 -7.922 -7.880 1.00 0.32 O ATOM 919 ND2 ASN A 107 -7.108 -6.948 -8.305 1.00 0.34 N ATOM 0 H ASN A 107 -6.508 -5.919 -4.106 1.00 0.14 H new ATOM 0 HA ASN A 107 -4.966 -7.826 -5.344 1.00 0.16 H new ATOM 0 HB2 ASN A 107 -6.808 -5.874 -6.043 1.00 0.18 H new ATOM 0 HB3 ASN A 107 -5.352 -5.228 -6.773 1.00 0.18 H new ATOM 0 HD21 ASN A 107 -7.277 -7.544 -9.115 1.00 0.34 H new ATOM 0 HD22 ASN A 107 -7.796 -6.244 -8.038 1.00 0.34 H new ATOM 926 N ILE A 108 -3.507 -4.891 -5.205 1.00 0.13 N ATOM 927 CA ILE A 108 -2.272 -4.143 -5.309 1.00 0.13 C ATOM 928 C ILE A 108 -1.281 -4.570 -4.232 1.00 0.11 C ATOM 929 O ILE A 108 -0.115 -4.837 -4.510 1.00 0.12 O ATOM 930 CB ILE A 108 -2.619 -2.647 -5.161 1.00 0.14 C ATOM 931 CG1 ILE A 108 -3.449 -2.184 -6.363 1.00 0.17 C ATOM 932 CG2 ILE A 108 -1.376 -1.798 -4.990 1.00 0.14 C ATOM 933 CD1 ILE A 108 -4.300 -0.960 -6.097 1.00 0.17 C ATOM 0 H ILE A 108 -4.313 -4.314 -4.964 1.00 0.13 H new ATOM 0 HA ILE A 108 -1.800 -4.334 -6.273 1.00 0.13 H new ATOM 0 HB ILE A 108 -3.213 -2.521 -4.256 1.00 0.14 H new ATOM 0 HG12 ILE A 108 -2.776 -1.971 -7.194 1.00 0.17 H new ATOM 0 HG13 ILE A 108 -4.097 -3.001 -6.679 1.00 0.17 H new ATOM 0 HG21 ILE A 108 -1.662 -0.751 -4.889 1.00 0.14 H new ATOM 0 HG22 ILE A 108 -0.839 -2.115 -4.096 1.00 0.14 H new ATOM 0 HG23 ILE A 108 -0.732 -1.916 -5.862 1.00 0.14 H new ATOM 0 HD11 ILE A 108 -4.855 -0.700 -6.998 1.00 0.17 H new ATOM 0 HD12 ILE A 108 -5.000 -1.172 -5.289 1.00 0.17 H new ATOM 0 HD13 ILE A 108 -3.659 -0.126 -5.812 1.00 0.17 H new ATOM 945 N LEU A 109 -1.780 -4.651 -3.014 1.00 0.09 N ATOM 946 CA LEU A 109 -0.989 -5.011 -1.851 1.00 0.08 C ATOM 947 C LEU A 109 -0.396 -6.399 -1.961 1.00 0.09 C ATOM 948 O LEU A 109 0.816 -6.579 -1.845 1.00 0.10 O ATOM 949 CB LEU A 109 -1.862 -4.919 -0.618 1.00 0.08 C ATOM 950 CG LEU A 109 -1.795 -3.575 0.077 1.00 0.07 C ATOM 951 CD1 LEU A 109 -2.772 -3.530 1.216 1.00 0.09 C ATOM 952 CD2 LEU A 109 -0.394 -3.320 0.580 1.00 0.07 C ATOM 0 H LEU A 109 -2.760 -4.466 -2.800 1.00 0.09 H new ATOM 0 HA LEU A 109 -0.153 -4.314 -1.783 1.00 0.08 H new ATOM 0 HB2 LEU A 109 -2.895 -5.121 -0.900 1.00 0.08 H new ATOM 0 HB3 LEU A 109 -1.565 -5.697 0.085 1.00 0.08 H new ATOM 0 HG LEU A 109 -2.058 -2.796 -0.639 1.00 0.07 H new ATOM 0 HD11 LEU A 109 -2.714 -2.559 1.707 1.00 0.09 H new ATOM 0 HD12 LEU A 109 -3.782 -3.684 0.836 1.00 0.09 H new ATOM 0 HD13 LEU A 109 -2.531 -4.314 1.933 1.00 0.09 H new ATOM 0 HD21 LEU A 109 -0.357 -2.351 1.078 1.00 0.07 H new ATOM 0 HD22 LEU A 109 -0.113 -4.102 1.286 1.00 0.07 H new ATOM 0 HD23 LEU A 109 0.300 -3.323 -0.260 1.00 0.07 H new ATOM 964 N SER A 110 -1.254 -7.371 -2.186 1.00 0.10 N ATOM 965 CA SER A 110 -0.824 -8.748 -2.313 1.00 0.12 C ATOM 966 C SER A 110 0.188 -8.872 -3.448 1.00 0.12 C ATOM 967 O SER A 110 1.144 -9.646 -3.366 1.00 0.14 O ATOM 968 CB SER A 110 -2.034 -9.648 -2.539 1.00 0.15 C ATOM 969 OG SER A 110 -1.668 -11.012 -2.649 1.00 1.15 O ATOM 0 H SER A 110 -2.260 -7.232 -2.285 1.00 0.10 H new ATOM 0 HA SER A 110 -0.335 -9.068 -1.393 1.00 0.12 H new ATOM 0 HB2 SER A 110 -2.735 -9.526 -1.714 1.00 0.15 H new ATOM 0 HB3 SER A 110 -2.552 -9.337 -3.446 1.00 0.15 H new ATOM 0 HG SER A 110 -2.471 -11.556 -2.792 1.00 1.15 H new ATOM 975 N ARG A 111 -0.019 -8.080 -4.498 1.00 0.11 N ATOM 976 CA ARG A 111 0.924 -8.001 -5.599 1.00 0.12 C ATOM 977 C ARG A 111 2.286 -7.530 -5.127 1.00 0.11 C ATOM 978 O ARG A 111 3.279 -8.244 -5.253 1.00 0.13 O ATOM 979 CB ARG A 111 0.405 -7.041 -6.668 1.00 0.16 C ATOM 980 CG ARG A 111 -0.536 -7.694 -7.648 1.00 0.26 C ATOM 981 CD ARG A 111 -0.827 -6.810 -8.848 1.00 0.99 C ATOM 982 NE ARG A 111 -1.677 -5.672 -8.508 1.00 1.81 N ATOM 983 CZ ARG A 111 -1.853 -4.612 -9.300 1.00 2.57 C ATOM 984 NH1 ARG A 111 -1.222 -4.528 -10.462 1.00 2.67 N ATOM 985 NH2 ARG A 111 -2.667 -3.633 -8.931 1.00 3.55 N ATOM 0 H ARG A 111 -0.839 -7.482 -4.605 1.00 0.11 H new ATOM 0 HA ARG A 111 1.027 -9.002 -6.018 1.00 0.12 H new ATOM 0 HB2 ARG A 111 -0.106 -6.209 -6.183 1.00 0.16 H new ATOM 0 HB3 ARG A 111 1.251 -6.621 -7.212 1.00 0.16 H new ATOM 0 HG2 ARG A 111 -0.105 -8.635 -7.989 1.00 0.26 H new ATOM 0 HG3 ARG A 111 -1.471 -7.936 -7.143 1.00 0.26 H new ATOM 0 HD2 ARG A 111 0.112 -6.447 -9.265 1.00 0.99 H new ATOM 0 HD3 ARG A 111 -1.311 -7.403 -9.624 1.00 0.99 H new ATOM 0 HE ARG A 111 -2.165 -5.688 -7.612 1.00 1.81 H new ATOM 0 HH11 ARG A 111 -0.596 -5.277 -10.758 1.00 2.67 H new ATOM 0 HH12 ARG A 111 -1.362 -3.714 -11.061 1.00 2.67 H new ATOM 0 HH21 ARG A 111 -3.161 -3.689 -8.040 1.00 3.55 H new ATOM 0 HH22 ARG A 111 -2.800 -2.824 -9.538 1.00 3.55 H new ATOM 999 N VAL A 112 2.321 -6.345 -4.540 1.00 0.10 N ATOM 1000 CA VAL A 112 3.588 -5.704 -4.219 1.00 0.10 C ATOM 1001 C VAL A 112 4.338 -6.436 -3.131 1.00 0.11 C ATOM 1002 O VAL A 112 5.539 -6.611 -3.235 1.00 0.12 O ATOM 1003 CB VAL A 112 3.438 -4.227 -3.814 1.00 0.10 C ATOM 1004 CG1 VAL A 112 3.203 -3.367 -5.029 1.00 0.11 C ATOM 1005 CG2 VAL A 112 2.321 -4.027 -2.819 1.00 0.10 C ATOM 0 H VAL A 112 1.494 -5.810 -4.277 1.00 0.10 H new ATOM 0 HA VAL A 112 4.160 -5.746 -5.146 1.00 0.10 H new ATOM 0 HB VAL A 112 4.370 -3.927 -3.335 1.00 0.10 H new ATOM 0 HG11 VAL A 112 3.099 -2.326 -4.723 1.00 0.11 H new ATOM 0 HG12 VAL A 112 4.048 -3.462 -5.711 1.00 0.11 H new ATOM 0 HG13 VAL A 112 2.292 -3.690 -5.532 1.00 0.11 H new ATOM 0 HG21 VAL A 112 2.249 -2.971 -2.560 1.00 0.10 H new ATOM 0 HG22 VAL A 112 1.380 -4.358 -3.258 1.00 0.10 H new ATOM 0 HG23 VAL A 112 2.526 -4.608 -1.920 1.00 0.10 H new ATOM 1015 N LEU A 113 3.633 -6.860 -2.097 1.00 0.10 N ATOM 1016 CA LEU A 113 4.250 -7.587 -0.998 1.00 0.11 C ATOM 1017 C LEU A 113 4.995 -8.811 -1.497 1.00 0.12 C ATOM 1018 O LEU A 113 6.185 -8.995 -1.234 1.00 0.14 O ATOM 1019 CB LEU A 113 3.177 -8.014 -0.009 1.00 0.11 C ATOM 1020 CG LEU A 113 3.076 -7.116 1.199 1.00 0.12 C ATOM 1021 CD1 LEU A 113 1.706 -6.468 1.264 1.00 0.31 C ATOM 1022 CD2 LEU A 113 3.381 -7.902 2.456 1.00 0.28 C ATOM 0 H LEU A 113 2.629 -6.713 -1.994 1.00 0.10 H new ATOM 0 HA LEU A 113 4.967 -6.927 -0.511 1.00 0.11 H new ATOM 0 HB2 LEU A 113 2.213 -8.034 -0.518 1.00 0.11 H new ATOM 0 HB3 LEU A 113 3.384 -9.032 0.322 1.00 0.11 H new ATOM 0 HG LEU A 113 3.813 -6.318 1.115 1.00 0.12 H new ATOM 0 HD11 LEU A 113 1.650 -5.823 2.141 1.00 0.31 H new ATOM 0 HD12 LEU A 113 1.542 -5.873 0.365 1.00 0.31 H new ATOM 0 HD13 LEU A 113 0.941 -7.241 1.332 1.00 0.31 H new ATOM 0 HD21 LEU A 113 3.306 -7.246 3.323 1.00 0.28 H new ATOM 0 HD22 LEU A 113 2.667 -8.719 2.556 1.00 0.28 H new ATOM 0 HD23 LEU A 113 4.391 -8.308 2.395 1.00 0.28 H new ATOM 1034 N SER A 114 4.271 -9.615 -2.233 1.00 0.13 N ATOM 1035 CA SER A 114 4.791 -10.860 -2.778 1.00 0.15 C ATOM 1036 C SER A 114 5.973 -10.593 -3.696 1.00 0.15 C ATOM 1037 O SER A 114 6.986 -11.297 -3.645 1.00 0.17 O ATOM 1038 CB SER A 114 3.681 -11.604 -3.515 1.00 0.17 C ATOM 1039 OG SER A 114 2.548 -11.774 -2.672 1.00 1.00 O ATOM 0 H SER A 114 3.298 -9.431 -2.477 1.00 0.13 H new ATOM 0 HA SER A 114 5.145 -11.486 -1.958 1.00 0.15 H new ATOM 0 HB2 SER A 114 3.396 -11.050 -4.409 1.00 0.17 H new ATOM 0 HB3 SER A 114 4.045 -12.577 -3.845 1.00 0.17 H new ATOM 0 HG SER A 114 1.828 -11.179 -2.968 1.00 1.00 H new ATOM 1045 N ARG A 115 5.849 -9.553 -4.507 1.00 0.13 N ATOM 1046 CA ARG A 115 6.936 -9.123 -5.368 1.00 0.14 C ATOM 1047 C ARG A 115 8.112 -8.663 -4.531 1.00 0.14 C ATOM 1048 O ARG A 115 9.244 -9.052 -4.762 1.00 0.18 O ATOM 1049 CB ARG A 115 6.493 -7.949 -6.230 1.00 0.17 C ATOM 1050 CG ARG A 115 5.457 -8.258 -7.286 1.00 0.24 C ATOM 1051 CD ARG A 115 4.942 -6.950 -7.849 1.00 0.35 C ATOM 1052 NE ARG A 115 4.010 -7.106 -8.953 1.00 0.84 N ATOM 1053 CZ ARG A 115 3.415 -6.074 -9.546 1.00 1.19 C ATOM 1054 NH1 ARG A 115 3.645 -4.839 -9.112 1.00 1.20 N ATOM 1055 NH2 ARG A 115 2.598 -6.270 -10.568 1.00 1.83 N ATOM 0 H ARG A 115 5.002 -8.990 -4.586 1.00 0.13 H new ATOM 0 HA ARG A 115 7.222 -9.967 -5.996 1.00 0.14 H new ATOM 0 HB2 ARG A 115 6.096 -7.173 -5.576 1.00 0.17 H new ATOM 0 HB3 ARG A 115 7.372 -7.533 -6.722 1.00 0.17 H new ATOM 0 HG2 ARG A 115 5.893 -8.866 -8.078 1.00 0.24 H new ATOM 0 HG3 ARG A 115 4.638 -8.834 -6.856 1.00 0.24 H new ATOM 0 HD2 ARG A 115 4.453 -6.391 -7.051 1.00 0.35 H new ATOM 0 HD3 ARG A 115 5.790 -6.352 -8.185 1.00 0.35 H new ATOM 0 HE ARG A 115 3.803 -8.047 -9.288 1.00 0.84 H new ATOM 0 HH11 ARG A 115 4.276 -4.684 -8.326 1.00 1.20 H new ATOM 0 HH12 ARG A 115 3.190 -4.046 -9.565 1.00 1.20 H new ATOM 0 HH21 ARG A 115 2.421 -7.216 -10.905 1.00 1.83 H new ATOM 0 HH22 ARG A 115 2.145 -5.475 -11.018 1.00 1.83 H new ATOM 1069 N ALA A 116 7.807 -7.825 -3.557 1.00 0.13 N ATOM 1070 CA ALA A 116 8.822 -7.126 -2.772 1.00 0.14 C ATOM 1071 C ALA A 116 9.711 -8.080 -1.991 1.00 0.16 C ATOM 1072 O ALA A 116 10.911 -7.857 -1.870 1.00 0.18 O ATOM 1073 CB ALA A 116 8.156 -6.127 -1.848 1.00 0.15 C ATOM 0 H ALA A 116 6.849 -7.606 -3.284 1.00 0.13 H new ATOM 0 HA ALA A 116 9.473 -6.596 -3.467 1.00 0.14 H new ATOM 0 HB1 ALA A 116 8.916 -5.608 -1.264 1.00 0.15 H new ATOM 0 HB2 ALA A 116 7.595 -5.403 -2.439 1.00 0.15 H new ATOM 0 HB3 ALA A 116 7.477 -6.650 -1.175 1.00 0.15 H new ATOM 1079 N ARG A 117 9.126 -9.141 -1.463 1.00 0.19 N ATOM 1080 CA ARG A 117 9.907 -10.151 -0.760 1.00 0.24 C ATOM 1081 C ARG A 117 10.839 -10.900 -1.707 1.00 0.26 C ATOM 1082 O ARG A 117 11.858 -11.446 -1.290 1.00 0.32 O ATOM 1083 CB ARG A 117 8.999 -11.118 -0.015 1.00 0.28 C ATOM 1084 CG ARG A 117 8.653 -10.616 1.366 1.00 0.61 C ATOM 1085 CD ARG A 117 7.252 -10.031 1.443 1.00 0.34 C ATOM 1086 NE ARG A 117 6.224 -11.069 1.480 1.00 1.22 N ATOM 1087 CZ ARG A 117 5.459 -11.318 2.544 1.00 1.38 C ATOM 1088 NH1 ARG A 117 5.631 -10.628 3.664 1.00 1.30 N ATOM 1089 NH2 ARG A 117 4.536 -12.270 2.490 1.00 2.33 N ATOM 0 H ARG A 117 8.124 -9.327 -1.505 1.00 0.19 H new ATOM 0 HA ARG A 117 10.529 -9.634 -0.029 1.00 0.24 H new ATOM 0 HB2 ARG A 117 8.083 -11.269 -0.586 1.00 0.28 H new ATOM 0 HB3 ARG A 117 9.489 -12.088 0.064 1.00 0.28 H new ATOM 0 HG2 ARG A 117 8.740 -11.436 2.079 1.00 0.61 H new ATOM 0 HG3 ARG A 117 9.376 -9.857 1.664 1.00 0.61 H new ATOM 0 HD2 ARG A 117 7.169 -9.407 2.333 1.00 0.34 H new ATOM 0 HD3 ARG A 117 7.082 -9.384 0.583 1.00 0.34 H new ATOM 0 HE ARG A 117 6.083 -11.636 0.644 1.00 1.22 H new ATOM 0 HH11 ARG A 117 6.349 -9.905 3.713 1.00 1.30 H new ATOM 0 HH12 ARG A 117 5.045 -10.820 4.476 1.00 1.30 H new ATOM 0 HH21 ARG A 117 4.411 -12.812 1.635 1.00 2.33 H new ATOM 0 HH22 ARG A 117 3.951 -12.460 3.304 1.00 2.33 H new ATOM 1103 N SER A 118 10.485 -10.915 -2.978 1.00 0.26 N ATOM 1104 CA SER A 118 11.330 -11.512 -4.010 1.00 0.31 C ATOM 1105 C SER A 118 12.305 -10.482 -4.534 1.00 0.28 C ATOM 1106 O SER A 118 13.468 -10.771 -4.822 1.00 0.32 O ATOM 1107 CB SER A 118 10.475 -11.994 -5.171 1.00 0.37 C ATOM 1108 OG SER A 118 11.192 -12.871 -6.030 1.00 0.68 O ATOM 0 H SER A 118 9.613 -10.519 -3.328 1.00 0.26 H new ATOM 0 HA SER A 118 11.869 -12.352 -3.571 1.00 0.31 H new ATOM 0 HB2 SER A 118 9.593 -12.505 -4.785 1.00 0.37 H new ATOM 0 HB3 SER A 118 10.121 -11.136 -5.742 1.00 0.37 H new ATOM 0 HG SER A 118 10.609 -13.160 -6.763 1.00 0.68 H new ATOM 1114 N ARG A 119 11.806 -9.275 -4.638 1.00 0.23 N ATOM 1115 CA ARG A 119 12.502 -8.197 -5.279 1.00 0.20 C ATOM 1116 C ARG A 119 12.582 -6.979 -4.386 1.00 0.18 C ATOM 1117 O ARG A 119 11.916 -5.973 -4.626 1.00 0.17 O ATOM 1118 CB ARG A 119 11.770 -7.850 -6.556 1.00 0.25 C ATOM 1119 CG ARG A 119 12.207 -8.672 -7.734 1.00 0.33 C ATOM 1120 CD ARG A 119 13.604 -8.277 -8.150 1.00 0.33 C ATOM 1121 NE ARG A 119 14.611 -9.209 -7.644 1.00 0.55 N ATOM 1122 CZ ARG A 119 15.868 -8.866 -7.356 1.00 0.97 C ATOM 1123 NH1 ARG A 119 16.306 -7.636 -7.605 1.00 1.48 N ATOM 1124 NH2 ARG A 119 16.693 -9.762 -6.836 1.00 1.19 N ATOM 0 H ARG A 119 10.890 -9.014 -4.273 1.00 0.23 H new ATOM 0 HA ARG A 119 13.523 -8.513 -5.494 1.00 0.20 H new ATOM 0 HB2 ARG A 119 10.700 -7.989 -6.402 1.00 0.25 H new ATOM 0 HB3 ARG A 119 11.926 -6.795 -6.780 1.00 0.25 H new ATOM 0 HG2 ARG A 119 12.181 -9.731 -7.478 1.00 0.33 H new ATOM 0 HG3 ARG A 119 11.517 -8.527 -8.565 1.00 0.33 H new ATOM 0 HD2 ARG A 119 13.661 -8.238 -9.238 1.00 0.33 H new ATOM 0 HD3 ARG A 119 13.822 -7.274 -7.783 1.00 0.33 H new ATOM 0 HE ARG A 119 14.336 -10.181 -7.503 1.00 0.55 H new ATOM 0 HH11 ARG A 119 15.680 -6.946 -8.019 1.00 1.48 H new ATOM 0 HH12 ARG A 119 17.268 -7.382 -7.382 1.00 1.48 H new ATOM 0 HH21 ARG A 119 16.367 -10.712 -6.657 1.00 1.19 H new ATOM 0 HH22 ARG A 119 17.654 -9.502 -6.615 1.00 1.19 H new ATOM 1138 N PRO A 120 13.419 -7.045 -3.357 1.00 0.19 N ATOM 1139 CA PRO A 120 13.624 -5.936 -2.433 1.00 0.19 C ATOM 1140 C PRO A 120 14.382 -4.782 -3.085 1.00 0.20 C ATOM 1141 O PRO A 120 14.540 -3.712 -2.500 1.00 0.21 O ATOM 1142 CB PRO A 120 14.437 -6.580 -1.320 1.00 0.23 C ATOM 1143 CG PRO A 120 15.203 -7.634 -2.015 1.00 0.25 C ATOM 1144 CD PRO A 120 14.221 -8.220 -2.978 1.00 0.22 C ATOM 0 HA PRO A 120 12.692 -5.488 -2.088 1.00 0.19 H new ATOM 0 HB2 PRO A 120 15.096 -5.859 -0.836 1.00 0.23 H new ATOM 0 HB3 PRO A 120 13.795 -6.997 -0.544 1.00 0.23 H new ATOM 0 HG2 PRO A 120 16.071 -7.222 -2.531 1.00 0.25 H new ATOM 0 HG3 PRO A 120 15.574 -8.384 -1.317 1.00 0.25 H new ATOM 0 HD2 PRO A 120 14.714 -8.671 -3.839 1.00 0.22 H new ATOM 0 HD3 PRO A 120 13.612 -8.997 -2.516 1.00 0.22 H new ATOM 1152 N ALA A 121 14.840 -5.004 -4.314 1.00 0.20 N ATOM 1153 CA ALA A 121 15.455 -3.944 -5.098 1.00 0.22 C ATOM 1154 C ALA A 121 14.366 -3.177 -5.812 1.00 0.19 C ATOM 1155 O ALA A 121 14.419 -1.956 -5.962 1.00 0.21 O ATOM 1156 CB ALA A 121 16.423 -4.519 -6.110 1.00 0.25 C ATOM 0 H ALA A 121 14.796 -5.907 -4.785 1.00 0.20 H new ATOM 0 HA ALA A 121 16.011 -3.281 -4.434 1.00 0.22 H new ATOM 0 HB1 ALA A 121 16.871 -3.709 -6.685 1.00 0.25 H new ATOM 0 HB2 ALA A 121 17.206 -5.072 -5.591 1.00 0.25 H new ATOM 0 HB3 ALA A 121 15.890 -5.190 -6.783 1.00 0.25 H new ATOM 1162 N LYS A 122 13.366 -3.933 -6.233 1.00 0.16 N ATOM 1163 CA LYS A 122 12.196 -3.379 -6.872 1.00 0.16 C ATOM 1164 C LYS A 122 11.194 -2.919 -5.832 1.00 0.11 C ATOM 1165 O LYS A 122 10.127 -2.438 -6.173 1.00 0.11 O ATOM 1166 CB LYS A 122 11.546 -4.390 -7.795 1.00 0.20 C ATOM 1167 CG LYS A 122 12.251 -4.535 -9.123 1.00 0.27 C ATOM 1168 CD LYS A 122 11.300 -5.072 -10.170 1.00 0.41 C ATOM 1169 CE LYS A 122 10.067 -4.198 -10.310 1.00 0.79 C ATOM 1170 NZ LYS A 122 9.091 -4.767 -11.270 1.00 1.07 N ATOM 0 H LYS A 122 13.348 -4.948 -6.139 1.00 0.16 H new ATOM 0 HA LYS A 122 12.516 -2.524 -7.467 1.00 0.16 H new ATOM 0 HB2 LYS A 122 11.521 -5.360 -7.298 1.00 0.20 H new ATOM 0 HB3 LYS A 122 10.512 -4.096 -7.972 1.00 0.20 H new ATOM 0 HG2 LYS A 122 12.644 -3.569 -9.441 1.00 0.27 H new ATOM 0 HG3 LYS A 122 13.103 -5.207 -9.018 1.00 0.27 H new ATOM 0 HD2 LYS A 122 11.813 -5.134 -11.130 1.00 0.41 H new ATOM 0 HD3 LYS A 122 10.999 -6.085 -9.903 1.00 0.41 H new ATOM 0 HE2 LYS A 122 9.592 -4.082 -9.336 1.00 0.79 H new ATOM 0 HE3 LYS A 122 10.363 -3.203 -10.641 1.00 0.79 H new ATOM 0 HZ1 LYS A 122 8.264 -4.140 -11.337 1.00 1.07 H new ATOM 0 HZ2 LYS A 122 9.535 -4.854 -12.206 1.00 1.07 H new ATOM 0 HZ3 LYS A 122 8.788 -5.706 -10.942 1.00 1.07 H new ATOM 1184 N LEU A 123 11.524 -3.118 -4.562 1.00 0.10 N ATOM 1185 CA LEU A 123 10.719 -2.616 -3.464 1.00 0.08 C ATOM 1186 C LEU A 123 10.290 -1.176 -3.684 1.00 0.08 C ATOM 1187 O LEU A 123 9.140 -0.847 -3.467 1.00 0.13 O ATOM 1188 CB LEU A 123 11.500 -2.725 -2.174 1.00 0.12 C ATOM 1189 CG LEU A 123 10.766 -2.234 -0.938 1.00 0.14 C ATOM 1190 CD1 LEU A 123 9.461 -2.981 -0.761 1.00 0.12 C ATOM 1191 CD2 LEU A 123 11.637 -2.399 0.278 1.00 0.23 C ATOM 0 H LEU A 123 12.355 -3.631 -4.268 1.00 0.10 H new ATOM 0 HA LEU A 123 9.816 -3.223 -3.409 1.00 0.08 H new ATOM 0 HB2 LEU A 123 11.779 -3.768 -2.023 1.00 0.12 H new ATOM 0 HB3 LEU A 123 12.426 -2.159 -2.278 1.00 0.12 H new ATOM 0 HG LEU A 123 10.537 -1.176 -1.065 1.00 0.14 H new ATOM 0 HD11 LEU A 123 8.950 -2.615 0.130 1.00 0.12 H new ATOM 0 HD12 LEU A 123 8.828 -2.820 -1.634 1.00 0.12 H new ATOM 0 HD13 LEU A 123 9.664 -4.046 -0.651 1.00 0.12 H new ATOM 0 HD21 LEU A 123 11.102 -2.044 1.159 1.00 0.23 H new ATOM 0 HD22 LEU A 123 11.888 -3.452 0.405 1.00 0.23 H new ATOM 0 HD23 LEU A 123 12.552 -1.820 0.151 1.00 0.23 H new ATOM 1203 N TYR A 124 11.200 -0.326 -4.140 1.00 0.11 N ATOM 1204 CA TYR A 124 10.867 1.042 -4.448 1.00 0.10 C ATOM 1205 C TYR A 124 9.828 1.116 -5.545 1.00 0.11 C ATOM 1206 O TYR A 124 8.999 2.002 -5.543 1.00 0.14 O ATOM 1207 CB TYR A 124 12.124 1.800 -4.840 1.00 0.14 C ATOM 1208 CG TYR A 124 13.044 1.962 -3.676 1.00 0.57 C ATOM 1209 CD1 TYR A 124 12.503 2.003 -2.421 1.00 0.33 C ATOM 1210 CD2 TYR A 124 14.417 2.071 -3.815 1.00 1.30 C ATOM 1211 CE1 TYR A 124 13.282 2.150 -1.310 1.00 0.74 C ATOM 1212 CE2 TYR A 124 15.223 2.220 -2.707 1.00 1.74 C ATOM 1213 CZ TYR A 124 14.653 2.258 -1.449 1.00 1.45 C ATOM 1214 OH TYR A 124 15.451 2.414 -0.337 1.00 1.89 O ATOM 0 H TYR A 124 12.177 -0.570 -4.303 1.00 0.11 H new ATOM 0 HA TYR A 124 10.438 1.505 -3.560 1.00 0.10 H new ATOM 0 HB2 TYR A 124 12.637 1.268 -5.641 1.00 0.14 H new ATOM 0 HB3 TYR A 124 11.853 2.781 -5.231 1.00 0.14 H new ATOM 0 HD1 TYR A 124 11.433 1.917 -2.306 1.00 0.33 H new ATOM 0 HD2 TYR A 124 14.860 2.039 -4.799 1.00 1.30 H new ATOM 0 HE1 TYR A 124 12.831 2.182 -0.329 1.00 0.74 H new ATOM 0 HE2 TYR A 124 16.293 2.307 -2.821 1.00 1.74 H new ATOM 0 HH TYR A 124 16.389 2.473 -0.613 1.00 1.89 H new ATOM 1224 N VAL A 125 9.828 0.153 -6.445 1.00 0.10 N ATOM 1225 CA VAL A 125 8.836 0.121 -7.504 1.00 0.12 C ATOM 1226 C VAL A 125 7.484 -0.097 -6.874 1.00 0.11 C ATOM 1227 O VAL A 125 6.515 0.569 -7.186 1.00 0.14 O ATOM 1228 CB VAL A 125 9.091 -1.042 -8.475 1.00 0.15 C ATOM 1229 CG1 VAL A 125 8.057 -1.064 -9.581 1.00 0.20 C ATOM 1230 CG2 VAL A 125 10.493 -0.976 -9.035 1.00 0.18 C ATOM 0 H VAL A 125 10.499 -0.615 -6.466 1.00 0.10 H new ATOM 0 HA VAL A 125 8.887 1.060 -8.055 1.00 0.12 H new ATOM 0 HB VAL A 125 8.997 -1.975 -7.919 1.00 0.15 H new ATOM 0 HG11 VAL A 125 8.261 -1.897 -10.254 1.00 0.20 H new ATOM 0 HG12 VAL A 125 7.064 -1.182 -9.148 1.00 0.20 H new ATOM 0 HG13 VAL A 125 8.101 -0.128 -10.138 1.00 0.20 H new ATOM 0 HG21 VAL A 125 10.651 -1.809 -9.720 1.00 0.18 H new ATOM 0 HG22 VAL A 125 10.627 -0.036 -9.570 1.00 0.18 H new ATOM 0 HG23 VAL A 125 11.214 -1.035 -8.219 1.00 0.18 H new ATOM 1240 N TYR A 126 7.488 -1.026 -5.946 1.00 0.07 N ATOM 1241 CA TYR A 126 6.308 -1.481 -5.233 1.00 0.08 C ATOM 1242 C TYR A 126 5.842 -0.432 -4.230 1.00 0.08 C ATOM 1243 O TYR A 126 4.648 -0.176 -4.087 1.00 0.10 O ATOM 1244 CB TYR A 126 6.690 -2.798 -4.556 1.00 0.11 C ATOM 1245 CG TYR A 126 7.303 -3.772 -5.537 1.00 0.15 C ATOM 1246 CD1 TYR A 126 6.866 -3.818 -6.856 1.00 0.18 C ATOM 1247 CD2 TYR A 126 8.333 -4.614 -5.161 1.00 0.21 C ATOM 1248 CE1 TYR A 126 7.435 -4.678 -7.768 1.00 0.25 C ATOM 1249 CE2 TYR A 126 8.910 -5.484 -6.074 1.00 0.27 C ATOM 1250 CZ TYR A 126 8.454 -5.507 -7.374 1.00 0.28 C ATOM 1251 OH TYR A 126 9.020 -6.364 -8.287 1.00 0.36 O ATOM 0 H TYR A 126 8.340 -1.504 -5.654 1.00 0.07 H new ATOM 0 HA TYR A 126 5.468 -1.637 -5.910 1.00 0.08 H new ATOM 0 HB2 TYR A 126 7.396 -2.601 -3.749 1.00 0.11 H new ATOM 0 HB3 TYR A 126 5.805 -3.245 -4.104 1.00 0.11 H new ATOM 0 HD1 TYR A 126 6.065 -3.166 -7.171 1.00 0.18 H new ATOM 0 HD2 TYR A 126 8.693 -4.594 -4.143 1.00 0.21 H new ATOM 0 HE1 TYR A 126 7.081 -4.700 -8.788 1.00 0.25 H new ATOM 0 HE2 TYR A 126 9.712 -6.139 -5.768 1.00 0.27 H new ATOM 0 HH TYR A 126 8.441 -6.432 -9.075 1.00 0.36 H new ATOM 1261 N ILE A 127 6.796 0.174 -3.545 1.00 0.08 N ATOM 1262 CA ILE A 127 6.543 1.306 -2.672 1.00 0.11 C ATOM 1263 C ILE A 127 5.964 2.458 -3.472 1.00 0.12 C ATOM 1264 O ILE A 127 4.913 3.003 -3.134 1.00 0.14 O ATOM 1265 CB ILE A 127 7.856 1.757 -2.007 1.00 0.11 C ATOM 1266 CG1 ILE A 127 8.345 0.694 -1.037 1.00 0.12 C ATOM 1267 CG2 ILE A 127 7.700 3.090 -1.299 1.00 0.12 C ATOM 1268 CD1 ILE A 127 9.807 0.838 -0.710 1.00 0.13 C ATOM 0 H ILE A 127 7.776 -0.108 -3.580 1.00 0.08 H new ATOM 0 HA ILE A 127 5.831 1.005 -1.904 1.00 0.11 H new ATOM 0 HB ILE A 127 8.598 1.890 -2.794 1.00 0.11 H new ATOM 0 HG12 ILE A 127 7.763 0.752 -0.117 1.00 0.12 H new ATOM 0 HG13 ILE A 127 8.168 -0.293 -1.465 1.00 0.12 H new ATOM 0 HG21 ILE A 127 8.649 3.373 -0.843 1.00 0.12 H new ATOM 0 HG22 ILE A 127 7.402 3.852 -2.019 1.00 0.12 H new ATOM 0 HG23 ILE A 127 6.937 3.004 -0.525 1.00 0.12 H new ATOM 0 HD11 ILE A 127 10.103 0.054 -0.014 1.00 0.13 H new ATOM 0 HD12 ILE A 127 10.394 0.752 -1.624 1.00 0.13 H new ATOM 0 HD13 ILE A 127 9.984 1.813 -0.255 1.00 0.13 H new ATOM 1280 N ASN A 128 6.659 2.815 -4.545 1.00 0.12 N ATOM 1281 CA ASN A 128 6.190 3.875 -5.440 1.00 0.15 C ATOM 1282 C ASN A 128 4.854 3.486 -6.061 1.00 0.12 C ATOM 1283 O ASN A 128 4.000 4.337 -6.288 1.00 0.12 O ATOM 1284 CB ASN A 128 7.198 4.167 -6.561 1.00 0.20 C ATOM 1285 CG ASN A 128 8.516 4.785 -6.095 1.00 0.30 C ATOM 1286 OD1 ASN A 128 9.168 5.505 -6.851 1.00 0.82 O ATOM 1287 ND2 ASN A 128 8.908 4.534 -4.852 1.00 0.42 N ATOM 0 H ASN A 128 7.545 2.391 -4.819 1.00 0.12 H new ATOM 0 HA ASN A 128 6.076 4.777 -4.838 1.00 0.15 H new ATOM 0 HB2 ASN A 128 7.415 3.237 -7.086 1.00 0.20 H new ATOM 0 HB3 ASN A 128 6.733 4.839 -7.282 1.00 0.20 H new ATOM 0 HD21 ASN A 128 9.773 4.942 -4.498 1.00 0.42 H new ATOM 0 HD22 ASN A 128 8.344 3.933 -4.251 1.00 0.42 H new ATOM 1294 N GLU A 129 4.689 2.195 -6.333 1.00 0.11 N ATOM 1295 CA GLU A 129 3.460 1.657 -6.898 1.00 0.10 C ATOM 1296 C GLU A 129 2.297 1.878 -5.957 1.00 0.09 C ATOM 1297 O GLU A 129 1.285 2.464 -6.326 1.00 0.14 O ATOM 1298 CB GLU A 129 3.616 0.162 -7.184 1.00 0.14 C ATOM 1299 CG GLU A 129 3.321 -0.191 -8.609 1.00 0.26 C ATOM 1300 CD GLU A 129 3.644 -1.630 -8.972 1.00 1.41 C ATOM 1301 OE1 GLU A 129 4.752 -2.103 -8.619 1.00 2.29 O ATOM 1302 OE2 GLU A 129 2.795 -2.307 -9.585 1.00 1.55 O ATOM 0 H GLU A 129 5.408 1.491 -6.166 1.00 0.11 H new ATOM 0 HA GLU A 129 3.259 2.181 -7.833 1.00 0.10 H new ATOM 0 HB2 GLU A 129 4.633 -0.145 -6.942 1.00 0.14 H new ATOM 0 HB3 GLU A 129 2.949 -0.400 -6.530 1.00 0.14 H new ATOM 0 HG2 GLU A 129 2.265 -0.006 -8.807 1.00 0.26 H new ATOM 0 HG3 GLU A 129 3.888 0.473 -9.261 1.00 0.26 H new ATOM 1309 N LEU A 130 2.472 1.420 -4.736 1.00 0.07 N ATOM 1310 CA LEU A 130 1.464 1.547 -3.706 1.00 0.08 C ATOM 1311 C LEU A 130 1.197 3.018 -3.427 1.00 0.09 C ATOM 1312 O LEU A 130 0.055 3.430 -3.273 1.00 0.10 O ATOM 1313 CB LEU A 130 1.927 0.846 -2.440 1.00 0.08 C ATOM 1314 CG LEU A 130 0.804 0.274 -1.593 1.00 0.09 C ATOM 1315 CD1 LEU A 130 0.091 -0.835 -2.337 1.00 0.10 C ATOM 1316 CD2 LEU A 130 1.355 -0.234 -0.280 1.00 0.08 C ATOM 0 H LEU A 130 3.322 0.947 -4.429 1.00 0.07 H new ATOM 0 HA LEU A 130 0.540 1.079 -4.047 1.00 0.08 H new ATOM 0 HB2 LEU A 130 2.606 0.039 -2.714 1.00 0.08 H new ATOM 0 HB3 LEU A 130 2.498 1.552 -1.836 1.00 0.08 H new ATOM 0 HG LEU A 130 0.082 1.064 -1.387 1.00 0.09 H new ATOM 0 HD11 LEU A 130 -0.711 -1.233 -1.715 1.00 0.10 H new ATOM 0 HD12 LEU A 130 -0.329 -0.441 -3.262 1.00 0.10 H new ATOM 0 HD13 LEU A 130 0.799 -1.630 -2.570 1.00 0.10 H new ATOM 0 HD21 LEU A 130 0.543 -0.643 0.322 1.00 0.08 H new ATOM 0 HD22 LEU A 130 2.092 -1.014 -0.472 1.00 0.08 H new ATOM 0 HD23 LEU A 130 1.828 0.587 0.258 1.00 0.08 H new ATOM 1328 N CYS A 131 2.264 3.808 -3.399 1.00 0.11 N ATOM 1329 CA CYS A 131 2.149 5.250 -3.228 1.00 0.13 C ATOM 1330 C CYS A 131 1.323 5.851 -4.364 1.00 0.13 C ATOM 1331 O CYS A 131 0.455 6.689 -4.139 1.00 0.14 O ATOM 1332 CB CYS A 131 3.539 5.894 -3.198 1.00 0.18 C ATOM 1333 SG CYS A 131 3.521 7.701 -3.257 1.00 1.39 S ATOM 0 H CYS A 131 3.222 3.472 -3.493 1.00 0.11 H new ATOM 0 HA CYS A 131 1.648 5.448 -2.281 1.00 0.13 H new ATOM 0 HB2 CYS A 131 4.055 5.577 -2.292 1.00 0.18 H new ATOM 0 HB3 CYS A 131 4.119 5.520 -4.042 1.00 0.18 H new ATOM 0 HG CYS A 131 4.265 8.174 -2.301 1.00 1.39 H new ATOM 1339 N THR A 132 1.595 5.387 -5.576 1.00 0.12 N ATOM 1340 CA THR A 132 0.884 5.835 -6.769 1.00 0.14 C ATOM 1341 C THR A 132 -0.574 5.400 -6.700 1.00 0.11 C ATOM 1342 O THR A 132 -1.485 6.125 -7.093 1.00 0.15 O ATOM 1343 CB THR A 132 1.551 5.249 -8.035 1.00 0.17 C ATOM 1344 OG1 THR A 132 2.853 5.825 -8.211 1.00 0.20 O ATOM 1345 CG2 THR A 132 0.711 5.484 -9.278 1.00 0.24 C ATOM 0 H THR A 132 2.315 4.689 -5.762 1.00 0.12 H new ATOM 0 HA THR A 132 0.927 6.923 -6.818 1.00 0.14 H new ATOM 0 HB THR A 132 1.640 4.172 -7.894 1.00 0.17 H new ATOM 0 HG1 THR A 132 3.480 5.416 -7.578 1.00 0.20 H new ATOM 0 HG21 THR A 132 1.216 5.057 -10.144 1.00 0.24 H new ATOM 0 HG22 THR A 132 -0.262 5.009 -9.154 1.00 0.24 H new ATOM 0 HG23 THR A 132 0.576 6.555 -9.429 1.00 0.24 H new ATOM 1353 N VAL A 133 -0.764 4.214 -6.166 1.00 0.09 N ATOM 1354 CA VAL A 133 -2.071 3.635 -5.936 1.00 0.07 C ATOM 1355 C VAL A 133 -2.870 4.462 -4.946 1.00 0.07 C ATOM 1356 O VAL A 133 -4.041 4.778 -5.162 1.00 0.08 O ATOM 1357 CB VAL A 133 -1.874 2.220 -5.390 1.00 0.07 C ATOM 1358 CG1 VAL A 133 -3.058 1.737 -4.583 1.00 0.08 C ATOM 1359 CG2 VAL A 133 -1.579 1.270 -6.526 1.00 0.10 C ATOM 0 H VAL A 133 0.004 3.610 -5.872 1.00 0.09 H new ATOM 0 HA VAL A 133 -2.627 3.613 -6.873 1.00 0.07 H new ATOM 0 HB VAL A 133 -1.025 2.248 -4.708 1.00 0.07 H new ATOM 0 HG11 VAL A 133 -2.864 0.728 -4.220 1.00 0.08 H new ATOM 0 HG12 VAL A 133 -3.216 2.403 -3.735 1.00 0.08 H new ATOM 0 HG13 VAL A 133 -3.949 1.731 -5.211 1.00 0.08 H new ATOM 0 HG21 VAL A 133 -1.439 0.263 -6.132 1.00 0.10 H new ATOM 0 HG22 VAL A 133 -2.413 1.272 -7.228 1.00 0.10 H new ATOM 0 HG23 VAL A 133 -0.671 1.588 -7.039 1.00 0.10 H new ATOM 1369 N LEU A 134 -2.217 4.809 -3.862 1.00 0.10 N ATOM 1370 CA LEU A 134 -2.838 5.578 -2.808 1.00 0.11 C ATOM 1371 C LEU A 134 -3.056 7.011 -3.267 1.00 0.14 C ATOM 1372 O LEU A 134 -4.025 7.653 -2.885 1.00 0.18 O ATOM 1373 CB LEU A 134 -1.952 5.524 -1.576 1.00 0.12 C ATOM 1374 CG LEU A 134 -1.675 4.111 -1.060 1.00 0.12 C ATOM 1375 CD1 LEU A 134 -0.572 4.130 -0.022 1.00 0.17 C ATOM 1376 CD2 LEU A 134 -2.938 3.496 -0.489 1.00 0.16 C ATOM 0 H LEU A 134 -1.242 4.567 -3.685 1.00 0.10 H new ATOM 0 HA LEU A 134 -3.813 5.158 -2.561 1.00 0.11 H new ATOM 0 HB2 LEU A 134 -1.002 6.007 -1.805 1.00 0.12 H new ATOM 0 HB3 LEU A 134 -2.421 6.103 -0.780 1.00 0.12 H new ATOM 0 HG LEU A 134 -1.344 3.497 -1.898 1.00 0.12 H new ATOM 0 HD11 LEU A 134 -0.389 3.116 0.333 1.00 0.17 H new ATOM 0 HD12 LEU A 134 0.340 4.528 -0.467 1.00 0.17 H new ATOM 0 HD13 LEU A 134 -0.872 4.759 0.816 1.00 0.17 H new ATOM 0 HD21 LEU A 134 -2.722 2.491 -0.127 1.00 0.16 H new ATOM 0 HD22 LEU A 134 -3.300 4.109 0.336 1.00 0.16 H new ATOM 0 HD23 LEU A 134 -3.701 3.445 -1.266 1.00 0.16 H new ATOM 1388 N LYS A 135 -2.159 7.483 -4.120 1.00 0.14 N ATOM 1389 CA LYS A 135 -2.244 8.775 -4.723 1.00 0.17 C ATOM 1390 C LYS A 135 -3.453 8.799 -5.637 1.00 0.15 C ATOM 1391 O LYS A 135 -4.133 9.813 -5.788 1.00 0.18 O ATOM 1392 CB LYS A 135 -0.956 8.980 -5.521 1.00 0.23 C ATOM 1393 CG LYS A 135 -0.543 10.414 -5.672 1.00 0.56 C ATOM 1394 CD LYS A 135 -1.525 11.177 -6.529 1.00 0.68 C ATOM 1395 CE LYS A 135 -1.562 10.647 -7.958 1.00 1.32 C ATOM 1396 NZ LYS A 135 -0.227 10.683 -8.612 1.00 1.82 N ATOM 0 H LYS A 135 -1.337 6.953 -4.409 1.00 0.14 H new ATOM 0 HA LYS A 135 -2.354 9.569 -3.984 1.00 0.17 H new ATOM 0 HB2 LYS A 135 -0.150 8.432 -5.034 1.00 0.23 H new ATOM 0 HB3 LYS A 135 -1.084 8.545 -6.512 1.00 0.23 H new ATOM 0 HG2 LYS A 135 -0.474 10.881 -4.689 1.00 0.56 H new ATOM 0 HG3 LYS A 135 0.450 10.464 -6.119 1.00 0.56 H new ATOM 0 HD2 LYS A 135 -2.520 11.108 -6.090 1.00 0.68 H new ATOM 0 HD3 LYS A 135 -1.254 12.233 -6.540 1.00 0.68 H new ATOM 0 HE2 LYS A 135 -1.933 9.622 -7.953 1.00 1.32 H new ATOM 0 HE3 LYS A 135 -2.266 11.238 -8.543 1.00 1.32 H new ATOM 0 HZ1 LYS A 135 -0.338 10.543 -9.636 1.00 1.82 H new ATOM 0 HZ2 LYS A 135 0.221 11.605 -8.435 1.00 1.82 H new ATOM 0 HZ3 LYS A 135 0.371 9.927 -8.222 1.00 1.82 H new ATOM 1410 N ALA A 136 -3.720 7.645 -6.214 1.00 0.13 N ATOM 1411 CA ALA A 136 -4.786 7.486 -7.159 1.00 0.14 C ATOM 1412 C ALA A 136 -6.128 7.456 -6.452 1.00 0.16 C ATOM 1413 O ALA A 136 -7.129 7.952 -6.966 1.00 0.21 O ATOM 1414 CB ALA A 136 -4.566 6.201 -7.934 1.00 0.17 C ATOM 0 H ALA A 136 -3.194 6.790 -6.033 1.00 0.13 H new ATOM 0 HA ALA A 136 -4.791 8.332 -7.846 1.00 0.14 H new ATOM 0 HB1 ALA A 136 -5.371 6.069 -8.656 1.00 0.17 H new ATOM 0 HB2 ALA A 136 -3.612 6.252 -8.459 1.00 0.17 H new ATOM 0 HB3 ALA A 136 -4.556 5.357 -7.244 1.00 0.17 H new ATOM 1420 N HIS A 137 -6.140 6.881 -5.258 1.00 0.18 N ATOM 1421 CA HIS A 137 -7.389 6.623 -4.555 1.00 0.23 C ATOM 1422 C HIS A 137 -7.364 7.212 -3.151 1.00 0.24 C ATOM 1423 O HIS A 137 -7.789 6.574 -2.189 1.00 0.25 O ATOM 1424 CB HIS A 137 -7.655 5.117 -4.499 1.00 0.24 C ATOM 1425 CG HIS A 137 -7.523 4.438 -5.828 1.00 0.26 C ATOM 1426 ND1 HIS A 137 -8.095 4.926 -6.976 1.00 0.29 N ATOM 1427 CD2 HIS A 137 -6.835 3.335 -6.196 1.00 0.30 C ATOM 1428 CE1 HIS A 137 -7.762 4.158 -7.990 1.00 0.32 C ATOM 1429 NE2 HIS A 137 -6.999 3.177 -7.548 1.00 0.34 N ATOM 0 H HIS A 137 -5.302 6.585 -4.757 1.00 0.18 H new ATOM 0 HA HIS A 137 -8.197 7.108 -5.104 1.00 0.23 H new ATOM 0 HB2 HIS A 137 -6.960 4.659 -3.795 1.00 0.24 H new ATOM 0 HB3 HIS A 137 -8.659 4.947 -4.111 1.00 0.24 H new ATOM 0 HD2 HIS A 137 -6.260 2.694 -5.544 1.00 0.30 H new ATOM 0 HE1 HIS A 137 -8.064 4.306 -9.016 1.00 0.32 H new ATOM 0 HE2 HIS A 137 -6.599 2.429 -8.115 1.00 0.34 H new ATOM 1438 N SER A 138 -6.842 8.421 -3.046 1.00 0.26 N ATOM 1439 CA SER A 138 -6.876 9.173 -1.812 1.00 0.30 C ATOM 1440 C SER A 138 -8.246 9.813 -1.619 1.00 0.36 C ATOM 1441 O SER A 138 -8.808 10.384 -2.551 1.00 0.56 O ATOM 1442 CB SER A 138 -5.813 10.252 -1.867 1.00 0.40 C ATOM 1443 OG SER A 138 -4.534 9.762 -1.505 1.00 1.23 O ATOM 0 H SER A 138 -6.383 8.906 -3.817 1.00 0.26 H new ATOM 0 HA SER A 138 -6.685 8.502 -0.974 1.00 0.30 H new ATOM 0 HB2 SER A 138 -5.770 10.666 -2.874 1.00 0.40 H new ATOM 0 HB3 SER A 138 -6.090 11.067 -1.199 1.00 0.40 H new ATOM 0 HG SER A 138 -4.175 9.215 -2.235 1.00 1.23 H new ATOM 1449 N ALA A 139 -8.780 9.717 -0.411 1.00 0.26 N ATOM 1450 CA ALA A 139 -10.063 10.319 -0.093 1.00 0.34 C ATOM 1451 C ALA A 139 -9.876 11.786 0.259 1.00 0.72 C ATOM 1452 O ALA A 139 -10.571 12.658 -0.263 1.00 1.10 O ATOM 1453 CB ALA A 139 -10.704 9.584 1.072 1.00 0.26 C ATOM 0 H ALA A 139 -8.341 9.225 0.368 1.00 0.26 H new ATOM 0 HA ALA A 139 -10.715 10.244 -0.963 1.00 0.34 H new ATOM 0 HB1 ALA A 139 -11.666 10.041 1.305 1.00 0.26 H new ATOM 0 HB2 ALA A 139 -10.854 8.538 0.804 1.00 0.26 H new ATOM 0 HB3 ALA A 139 -10.052 9.645 1.944 1.00 0.26 H new ATOM 1459 N LYS A 140 -8.938 12.047 1.167 1.00 1.04 N ATOM 1460 CA LYS A 140 -8.594 13.412 1.558 1.00 1.45 C ATOM 1461 C LYS A 140 -7.816 14.147 0.471 1.00 1.34 C ATOM 1462 O LYS A 140 -7.241 15.207 0.719 1.00 1.80 O ATOM 1463 CB LYS A 140 -7.802 13.410 2.865 1.00 2.25 C ATOM 1464 CG LYS A 140 -8.635 12.994 4.060 1.00 3.01 C ATOM 1465 CD LYS A 140 -7.855 13.109 5.355 1.00 3.61 C ATOM 1466 CE LYS A 140 -8.770 12.964 6.558 1.00 4.40 C ATOM 1467 NZ LYS A 140 -9.793 14.044 6.603 1.00 4.94 N ATOM 0 H LYS A 140 -8.400 11.326 1.648 1.00 1.04 H new ATOM 0 HA LYS A 140 -9.531 13.948 1.706 1.00 1.45 H new ATOM 0 HB2 LYS A 140 -6.953 12.734 2.768 1.00 2.25 H new ATOM 0 HB3 LYS A 140 -7.398 14.407 3.040 1.00 2.25 H new ATOM 0 HG2 LYS A 140 -9.527 13.617 4.116 1.00 3.01 H new ATOM 0 HG3 LYS A 140 -8.972 11.966 3.928 1.00 3.01 H new ATOM 0 HD2 LYS A 140 -7.082 12.341 5.387 1.00 3.61 H new ATOM 0 HD3 LYS A 140 -7.348 14.073 5.394 1.00 3.61 H new ATOM 0 HE2 LYS A 140 -9.266 11.994 6.524 1.00 4.40 H new ATOM 0 HE3 LYS A 140 -8.176 12.986 7.472 1.00 4.40 H new ATOM 0 HZ1 LYS A 140 -10.132 14.160 7.579 1.00 4.94 H new ATOM 0 HZ2 LYS A 140 -9.371 14.936 6.275 1.00 4.94 H new ATOM 0 HZ3 LYS A 140 -10.592 13.791 5.987 1.00 4.94 H new ATOM 1481 N LYS A 141 -7.796 13.584 -0.729 1.00 1.51 N ATOM 1482 CA LYS A 141 -7.226 14.247 -1.885 1.00 2.10 C ATOM 1483 C LYS A 141 -8.185 15.338 -2.369 1.00 2.90 C ATOM 1484 O LYS A 141 -8.821 15.206 -3.415 1.00 3.44 O ATOM 1485 CB LYS A 141 -6.966 13.200 -2.976 1.00 2.17 C ATOM 1486 CG LYS A 141 -6.331 13.729 -4.248 1.00 2.04 C ATOM 1487 CD LYS A 141 -4.997 14.400 -3.983 1.00 2.31 C ATOM 1488 CE LYS A 141 -4.388 14.921 -5.273 1.00 3.03 C ATOM 1489 NZ LYS A 141 -3.061 15.549 -5.056 1.00 3.84 N ATOM 0 H LYS A 141 -8.174 12.657 -0.925 1.00 1.51 H new ATOM 0 HA LYS A 141 -6.279 14.723 -1.629 1.00 2.10 H new ATOM 0 HB2 LYS A 141 -6.321 12.423 -2.564 1.00 2.17 H new ATOM 0 HB3 LYS A 141 -7.913 12.725 -3.233 1.00 2.17 H new ATOM 0 HG2 LYS A 141 -6.190 12.908 -4.951 1.00 2.04 H new ATOM 0 HG3 LYS A 141 -7.007 14.441 -4.721 1.00 2.04 H new ATOM 0 HD2 LYS A 141 -5.132 15.223 -3.281 1.00 2.31 H new ATOM 0 HD3 LYS A 141 -4.315 13.690 -3.514 1.00 2.31 H new ATOM 0 HE2 LYS A 141 -4.287 14.099 -5.982 1.00 3.03 H new ATOM 0 HE3 LYS A 141 -5.063 15.649 -5.723 1.00 3.03 H new ATOM 0 HZ1 LYS A 141 -2.685 15.889 -5.964 1.00 3.84 H new ATOM 0 HZ2 LYS A 141 -3.159 16.350 -4.400 1.00 3.84 H new ATOM 0 HZ3 LYS A 141 -2.407 14.848 -4.652 1.00 3.84 H new ATOM 1503 N LYS A 142 -8.263 16.416 -1.584 1.00 3.43 N ATOM 1504 CA LYS A 142 -9.196 17.518 -1.825 1.00 4.37 C ATOM 1505 C LYS A 142 -10.627 17.022 -2.022 1.00 4.96 C ATOM 1506 O LYS A 142 -11.363 16.780 -1.062 1.00 5.45 O ATOM 1507 CB LYS A 142 -8.776 18.353 -3.048 1.00 5.00 C ATOM 1508 CG LYS A 142 -7.660 19.343 -2.790 1.00 5.31 C ATOM 1509 CD LYS A 142 -6.356 18.662 -2.419 1.00 5.43 C ATOM 1510 CE LYS A 142 -5.295 19.677 -2.033 1.00 6.16 C ATOM 1511 NZ LYS A 142 -5.725 20.502 -0.874 1.00 6.56 N ATOM 0 H LYS A 142 -7.677 16.549 -0.759 1.00 3.43 H new ATOM 0 HA LYS A 142 -9.165 18.146 -0.935 1.00 4.37 H new ATOM 0 HB2 LYS A 142 -8.465 17.675 -3.843 1.00 5.00 H new ATOM 0 HB3 LYS A 142 -9.647 18.896 -3.415 1.00 5.00 H new ATOM 0 HG2 LYS A 142 -7.507 19.954 -3.680 1.00 5.31 H new ATOM 0 HG3 LYS A 142 -7.955 20.018 -1.987 1.00 5.31 H new ATOM 0 HD2 LYS A 142 -6.525 17.976 -1.589 1.00 5.43 H new ATOM 0 HD3 LYS A 142 -6.003 18.065 -3.260 1.00 5.43 H new ATOM 0 HE2 LYS A 142 -4.367 19.160 -1.788 1.00 6.16 H new ATOM 0 HE3 LYS A 142 -5.084 20.325 -2.884 1.00 6.16 H new ATOM 0 HZ1 LYS A 142 -4.893 20.946 -0.436 1.00 6.56 H new ATOM 0 HZ2 LYS A 142 -6.381 21.241 -1.198 1.00 6.56 H new ATOM 0 HZ3 LYS A 142 -6.203 19.897 -0.176 1.00 6.56 H new ATOM 1525 N LEU A 143 -10.983 16.858 -3.284 1.00 5.33 N ATOM 1526 CA LEU A 143 -12.298 16.438 -3.702 1.00 6.23 C ATOM 1527 C LEU A 143 -12.171 15.820 -5.086 1.00 7.01 C ATOM 1528 O LEU A 143 -12.721 14.755 -5.362 1.00 7.76 O ATOM 1529 CB LEU A 143 -13.255 17.631 -3.733 1.00 6.61 C ATOM 1530 CG LEU A 143 -14.625 17.340 -4.336 1.00 6.79 C ATOM 1531 CD1 LEU A 143 -15.394 16.343 -3.485 1.00 7.64 C ATOM 1532 CD2 LEU A 143 -15.419 18.626 -4.506 1.00 6.92 C ATOM 0 H LEU A 143 -10.344 17.019 -4.063 1.00 5.33 H new ATOM 0 HA LEU A 143 -12.703 15.709 -3.000 1.00 6.23 H new ATOM 0 HB2 LEU A 143 -13.392 17.995 -2.715 1.00 6.61 H new ATOM 0 HB3 LEU A 143 -12.789 18.437 -4.299 1.00 6.61 H new ATOM 0 HG LEU A 143 -14.474 16.896 -5.320 1.00 6.79 H new ATOM 0 HD11 LEU A 143 -16.367 16.153 -3.937 1.00 7.64 H new ATOM 0 HD12 LEU A 143 -14.834 15.410 -3.423 1.00 7.64 H new ATOM 0 HD13 LEU A 143 -15.533 16.750 -2.483 1.00 7.64 H new ATOM 0 HD21 LEU A 143 -16.393 18.398 -4.938 1.00 6.92 H new ATOM 0 HD22 LEU A 143 -15.555 19.101 -3.534 1.00 6.92 H new ATOM 0 HD23 LEU A 143 -14.879 19.302 -5.168 1.00 6.92 H new ATOM 1544 N ASN A 144 -11.417 16.500 -5.948 1.00 7.08 N ATOM 1545 CA ASN A 144 -11.090 15.987 -7.270 1.00 8.03 C ATOM 1546 C ASN A 144 -9.988 16.846 -7.878 1.00 8.20 C ATOM 1547 O ASN A 144 -8.824 16.400 -7.908 1.00 8.61 O ATOM 1548 CB ASN A 144 -12.318 15.979 -8.187 1.00 8.72 C ATOM 1549 CG ASN A 144 -12.059 15.248 -9.493 1.00 9.25 C ATOM 1550 OD1 ASN A 144 -11.595 15.835 -10.470 1.00 9.46 O ATOM 1551 ND2 ASN A 144 -12.364 13.960 -9.519 1.00 9.73 N ATOM 1552 OXT ASN A 144 -10.281 17.995 -8.269 1.00 8.17 O ATOM 0 H ASN A 144 -11.019 17.417 -5.748 1.00 7.08 H new ATOM 0 HA ASN A 144 -10.748 14.957 -7.169 1.00 8.03 H new ATOM 0 HB2 ASN A 144 -13.152 15.507 -7.669 1.00 8.72 H new ATOM 0 HB3 ASN A 144 -12.615 17.006 -8.401 1.00 8.72 H new ATOM 0 HD21 ASN A 144 -12.216 13.418 -10.370 1.00 9.73 H new ATOM 0 HD22 ASN A 144 -12.747 13.510 -8.688 1.00 9.73 H new TER 1559 ASN A 144