USER MOD reduce.3.24.130724 H: found=0, std=0, add=790, rem=0, adj=30 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 142 LYS NZ :NH3+ -160:sc= 1.28 (180deg=-0.00592) USER MOD Set 1.2: A 144 ASN : amide:sc= 1.1 K(o=2.4,f=-17!) USER MOD Set 2.1: A 81 HIS : no HE2:sc= 1.07 K(o=1.1,f=-3.2!) USER MOD Set 2.2: A 124 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 57 LYS NZ :NH3+ -137:sc= 0.156 (180deg=0) USER MOD Set 3.2: A 59 TYR OH : rot 165:sc= 0.0386 USER MOD Set 4.1: A 52 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 53 HIS : no HD1:sc= -0.146 X(o=-0.15,f=0) USER MOD Single : A 54 MET CE :methyl -176:sc= 0 (180deg=-0.0277) USER MOD Single : A 56 LYS NZ :NH3+ 165:sc= -0.0418 (180deg=-0.283) USER MOD Single : A 58 CYS SG : rot 180:sc= 0.135 USER MOD Single : A 60 LYS NZ :NH3+ -134:sc= 0.748 (180deg=-2.44!) USER MOD Single : A 63 ASN : amide:sc= 0.0974 K(o=0.097,f=-9.3!) USER MOD Single : A 65 LYS NZ :NH3+ -138:sc= 1.25 (180deg=0.591) USER MOD Single : A 74 CYS SG : rot 67:sc= -0.676 USER MOD Single : A 75 LYS NZ :NH3+ 162:sc= 1.27 (180deg=1.11) USER MOD Single : A 76 MET CE :methyl 171:sc= -3.5! (180deg=-4.06!) USER MOD Single : A 77 GLN : amide:sc= -0.966 K(o=-0.97,f=-2.1!) USER MOD Single : A 78 THR OG1 : rot -32:sc= 1.27 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= 0.191 K(o=0.19,f=-10!) USER MOD Single : A 92 GLN : amide:sc= -0.618 K(o=-0.62,f=-6.5!) USER MOD Single : A 93 GLN : amide:sc= -0.358 X(o=-0.36,f=-0.35) USER MOD Single : A 96 HIS : no HD1:sc= -1.75 K(o=-1.8,f=-7.4!) USER MOD Single : A 97 SER OG : rot 180:sc= 0.034 USER MOD Single : A 102 SER OG : rot 180:sc= -0.0345 USER MOD Single : A 106 CYS SG : rot 164:sc= 1.39 USER MOD Single : A 107 ASN : amide:sc=-0.00918 X(o=-0.0092,f=-0.4) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 107:sc= 1.29 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 TYR OH : rot -15:sc= -0.697 USER MOD Single : A 128 ASN :FLIP amide:sc= -0.686 F(o=-3.4!,f=-0.69) USER MOD Single : A 131 CYS SG : rot 127:sc= 0.165 USER MOD Single : A 132 THR OG1 : rot 77:sc= 1.2 USER MOD Single : A 135 LYS NZ :NH3+ -167:sc= -0.0186 (180deg=-0.209) USER MOD Single : A 137 HIS : no HD1:sc= -1.52 K(o=-1.5,f=-2!) USER MOD Single : A 138 SER OG : rot -89:sc= -1.95! USER MOD Single : A 140 LYS NZ :NH3+ 167:sc= -0.0146 (180deg=-0.169) USER MOD Single : A 141 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000168) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 51 -21.318 3.111 4.195 1.00 11.48 N ATOM 2 CA GLY A 51 -22.618 2.715 3.609 1.00 11.08 C ATOM 3 C GLY A 51 -23.038 1.334 4.058 1.00 10.43 C ATOM 4 O GLY A 51 -23.166 1.074 5.255 1.00 10.45 O ATOM 0 HA2 GLY A 51 -23.381 3.438 3.896 1.00 11.08 H new ATOM 0 HA3 GLY A 51 -22.549 2.738 2.521 1.00 11.08 H new ATOM 10 N SER A 52 -23.232 0.443 3.104 1.00 10.08 N ATOM 11 CA SER A 52 -23.621 -0.922 3.401 1.00 9.69 C ATOM 12 C SER A 52 -22.609 -1.895 2.808 1.00 9.02 C ATOM 13 O SER A 52 -22.118 -2.795 3.489 1.00 8.98 O ATOM 14 CB SER A 52 -25.021 -1.202 2.844 1.00 10.27 C ATOM 15 OG SER A 52 -25.419 -2.541 3.089 1.00 10.53 O ATOM 0 H SER A 52 -23.125 0.643 2.109 1.00 10.08 H new ATOM 0 HA SER A 52 -23.642 -1.058 4.482 1.00 9.69 H new ATOM 0 HB2 SER A 52 -25.738 -0.519 3.299 1.00 10.27 H new ATOM 0 HB3 SER A 52 -25.033 -1.008 1.771 1.00 10.27 H new ATOM 0 HG SER A 52 -26.316 -2.688 2.723 1.00 10.53 H new ATOM 21 N HIS A 53 -22.294 -1.692 1.537 1.00 8.73 N ATOM 22 CA HIS A 53 -21.346 -2.538 0.827 1.00 8.32 C ATOM 23 C HIS A 53 -20.791 -1.779 -0.370 1.00 7.73 C ATOM 24 O HIS A 53 -21.513 -1.032 -1.031 1.00 7.87 O ATOM 25 CB HIS A 53 -22.009 -3.854 0.373 1.00 8.73 C ATOM 26 CG HIS A 53 -23.149 -3.682 -0.592 1.00 9.23 C ATOM 27 ND1 HIS A 53 -23.078 -4.159 -1.881 1.00 9.69 N ATOM 28 CD2 HIS A 53 -24.352 -3.082 -0.411 1.00 9.62 C ATOM 29 CE1 HIS A 53 -24.226 -3.837 -2.450 1.00 10.29 C ATOM 30 NE2 HIS A 53 -25.029 -3.184 -1.598 1.00 10.28 N ATOM 0 H HIS A 53 -22.686 -0.940 0.971 1.00 8.73 H new ATOM 0 HA HIS A 53 -20.530 -2.796 1.502 1.00 8.32 H new ATOM 0 HB2 HIS A 53 -21.251 -4.486 -0.090 1.00 8.73 H new ATOM 0 HB3 HIS A 53 -22.373 -4.384 1.253 1.00 8.73 H new ATOM 0 HD2 HIS A 53 -24.708 -2.614 0.495 1.00 9.62 H new ATOM 0 HE1 HIS A 53 -24.485 -4.070 -3.472 1.00 10.29 H new ATOM 0 HE2 HIS A 53 -25.965 -2.831 -1.796 1.00 10.28 H new ATOM 38 N MET A 54 -19.498 -1.946 -0.614 1.00 7.35 N ATOM 39 CA MET A 54 -18.837 -1.295 -1.734 1.00 7.08 C ATOM 40 C MET A 54 -19.342 -1.874 -3.051 1.00 6.25 C ATOM 41 O MET A 54 -19.613 -1.146 -4.006 1.00 6.50 O ATOM 42 CB MET A 54 -17.314 -1.471 -1.649 1.00 7.61 C ATOM 43 CG MET A 54 -16.686 -0.963 -0.358 1.00 8.34 C ATOM 44 SD MET A 54 -17.072 -1.994 1.071 1.00 8.78 S ATOM 45 CE MET A 54 -16.116 -1.177 2.347 1.00 9.55 C ATOM 0 H MET A 54 -18.884 -2.531 -0.047 1.00 7.35 H new ATOM 0 HA MET A 54 -19.070 -0.231 -1.691 1.00 7.08 H new ATOM 0 HB2 MET A 54 -17.077 -2.529 -1.760 1.00 7.61 H new ATOM 0 HB3 MET A 54 -16.854 -0.951 -2.490 1.00 7.61 H new ATOM 0 HG2 MET A 54 -15.604 -0.915 -0.482 1.00 8.34 H new ATOM 0 HG3 MET A 54 -17.031 0.054 -0.169 1.00 8.34 H new ATOM 0 HE1 MET A 54 -16.195 -1.740 3.277 1.00 9.55 H new ATOM 0 HE2 MET A 54 -15.071 -1.125 2.042 1.00 9.55 H new ATOM 0 HE3 MET A 54 -16.500 -0.168 2.500 1.00 9.55 H new ATOM 55 N GLY A 55 -19.431 -3.192 -3.098 1.00 5.61 N ATOM 56 CA GLY A 55 -19.945 -3.871 -4.270 1.00 5.11 C ATOM 57 C GLY A 55 -19.355 -5.254 -4.380 1.00 4.35 C ATOM 58 O GLY A 55 -20.004 -6.194 -4.842 1.00 4.69 O ATOM 0 H GLY A 55 -19.153 -3.812 -2.337 1.00 5.61 H new ATOM 0 HA2 GLY A 55 -21.032 -3.936 -4.212 1.00 5.11 H new ATOM 0 HA3 GLY A 55 -19.707 -3.295 -5.165 1.00 5.11 H new ATOM 62 N LYS A 56 -18.121 -5.373 -3.923 1.00 3.64 N ATOM 63 CA LYS A 56 -17.435 -6.646 -3.854 1.00 3.11 C ATOM 64 C LYS A 56 -16.969 -6.871 -2.420 1.00 2.55 C ATOM 65 O LYS A 56 -17.162 -6.003 -1.564 1.00 2.86 O ATOM 66 CB LYS A 56 -16.237 -6.666 -4.818 1.00 3.33 C ATOM 67 CG LYS A 56 -15.576 -8.031 -4.982 1.00 3.32 C ATOM 68 CD LYS A 56 -14.367 -7.953 -5.901 1.00 4.10 C ATOM 69 CE LYS A 56 -13.789 -9.330 -6.193 1.00 4.54 C ATOM 70 NZ LYS A 56 -14.749 -10.189 -6.934 1.00 5.01 N ATOM 0 H LYS A 56 -17.567 -4.585 -3.589 1.00 3.64 H new ATOM 0 HA LYS A 56 -18.114 -7.445 -4.150 1.00 3.11 H new ATOM 0 HB2 LYS A 56 -16.569 -6.318 -5.796 1.00 3.33 H new ATOM 0 HB3 LYS A 56 -15.490 -5.956 -4.463 1.00 3.33 H new ATOM 0 HG2 LYS A 56 -15.270 -8.409 -4.006 1.00 3.32 H new ATOM 0 HG3 LYS A 56 -16.298 -8.741 -5.387 1.00 3.32 H new ATOM 0 HD2 LYS A 56 -14.652 -7.473 -6.837 1.00 4.10 H new ATOM 0 HD3 LYS A 56 -13.601 -7.327 -5.442 1.00 4.10 H new ATOM 0 HE2 LYS A 56 -12.874 -9.223 -6.775 1.00 4.54 H new ATOM 0 HE3 LYS A 56 -13.516 -9.815 -5.256 1.00 4.54 H new ATOM 0 HZ1 LYS A 56 -14.246 -11.007 -7.333 1.00 5.01 H new ATOM 0 HZ2 LYS A 56 -15.491 -10.521 -6.285 1.00 5.01 H new ATOM 0 HZ3 LYS A 56 -15.183 -9.641 -7.704 1.00 5.01 H new ATOM 84 N LYS A 57 -16.402 -8.038 -2.159 1.00 2.28 N ATOM 85 CA LYS A 57 -15.768 -8.343 -0.888 1.00 1.87 C ATOM 86 C LYS A 57 -14.852 -7.218 -0.409 1.00 1.72 C ATOM 87 O LYS A 57 -14.134 -6.603 -1.199 1.00 2.48 O ATOM 88 CB LYS A 57 -14.964 -9.609 -1.050 1.00 1.84 C ATOM 89 CG LYS A 57 -15.818 -10.860 -1.144 1.00 2.16 C ATOM 90 CD LYS A 57 -15.041 -12.001 -1.763 1.00 2.61 C ATOM 91 CE LYS A 57 -13.865 -12.421 -0.900 1.00 3.28 C ATOM 92 NZ LYS A 57 -13.002 -13.414 -1.591 1.00 3.67 N ATOM 0 H LYS A 57 -16.369 -8.806 -2.829 1.00 2.28 H new ATOM 0 HA LYS A 57 -16.549 -8.463 -0.137 1.00 1.87 H new ATOM 0 HB2 LYS A 57 -14.351 -9.529 -1.948 1.00 1.84 H new ATOM 0 HB3 LYS A 57 -14.281 -9.707 -0.206 1.00 1.84 H new ATOM 0 HG2 LYS A 57 -16.161 -11.146 -0.150 1.00 2.16 H new ATOM 0 HG3 LYS A 57 -16.707 -10.654 -1.741 1.00 2.16 H new ATOM 0 HD2 LYS A 57 -15.704 -12.853 -1.912 1.00 2.61 H new ATOM 0 HD3 LYS A 57 -14.680 -11.702 -2.747 1.00 2.61 H new ATOM 0 HE2 LYS A 57 -13.273 -11.543 -0.640 1.00 3.28 H new ATOM 0 HE3 LYS A 57 -14.233 -12.846 0.034 1.00 3.28 H new ATOM 0 HZ1 LYS A 57 -12.735 -14.165 -0.924 1.00 3.67 H new ATOM 0 HZ2 LYS A 57 -13.522 -13.829 -2.390 1.00 3.67 H new ATOM 0 HZ3 LYS A 57 -12.144 -12.943 -1.944 1.00 3.67 H new ATOM 106 N CYS A 58 -14.870 -6.967 0.888 1.00 1.35 N ATOM 107 CA CYS A 58 -14.014 -5.962 1.487 1.00 1.14 C ATOM 108 C CYS A 58 -12.817 -6.642 2.134 1.00 0.88 C ATOM 109 O CYS A 58 -12.918 -7.788 2.583 1.00 1.38 O ATOM 110 CB CYS A 58 -14.811 -5.154 2.515 1.00 1.36 C ATOM 111 SG CYS A 58 -15.860 -6.164 3.587 1.00 1.88 S ATOM 0 H CYS A 58 -15.475 -7.451 1.551 1.00 1.35 H new ATOM 0 HA CYS A 58 -13.651 -5.276 0.722 1.00 1.14 H new ATOM 0 HB2 CYS A 58 -14.116 -4.586 3.134 1.00 1.36 H new ATOM 0 HB3 CYS A 58 -15.435 -4.431 1.990 1.00 1.36 H new ATOM 0 HG CYS A 58 -16.493 -5.396 4.424 1.00 1.88 H new ATOM 117 N TYR A 59 -11.688 -5.955 2.175 1.00 0.42 N ATOM 118 CA TYR A 59 -10.469 -6.557 2.700 1.00 0.31 C ATOM 119 C TYR A 59 -9.777 -5.637 3.694 1.00 0.30 C ATOM 120 O TYR A 59 -8.559 -5.655 3.789 1.00 0.33 O ATOM 121 CB TYR A 59 -9.477 -6.917 1.591 1.00 0.67 C ATOM 122 CG TYR A 59 -9.950 -8.010 0.670 1.00 1.01 C ATOM 123 CD1 TYR A 59 -10.956 -7.752 -0.218 1.00 1.22 C ATOM 124 CD2 TYR A 59 -9.386 -9.278 0.676 1.00 1.26 C ATOM 125 CE1 TYR A 59 -11.410 -8.711 -1.096 1.00 1.56 C ATOM 126 CE2 TYR A 59 -9.829 -10.254 -0.193 1.00 1.58 C ATOM 127 CZ TYR A 59 -10.843 -9.966 -1.080 1.00 1.66 C ATOM 128 OH TYR A 59 -11.288 -10.931 -1.955 1.00 2.04 O ATOM 0 H TYR A 59 -11.587 -4.991 1.856 1.00 0.42 H new ATOM 0 HA TYR A 59 -10.781 -7.472 3.204 1.00 0.31 H new ATOM 0 HB2 TYR A 59 -9.270 -6.024 1.001 1.00 0.67 H new ATOM 0 HB3 TYR A 59 -8.535 -7.224 2.047 1.00 0.67 H new ATOM 0 HD1 TYR A 59 -11.407 -6.771 -0.232 1.00 1.22 H new ATOM 0 HD2 TYR A 59 -8.590 -9.504 1.370 1.00 1.26 H new ATOM 0 HE1 TYR A 59 -12.204 -8.481 -1.791 1.00 1.56 H new ATOM 0 HE2 TYR A 59 -9.384 -11.238 -0.178 1.00 1.58 H new ATOM 0 HH TYR A 59 -10.642 -11.667 -1.987 1.00 2.04 H new ATOM 138 N LYS A 60 -10.549 -4.843 4.430 1.00 0.29 N ATOM 139 CA LYS A 60 -9.976 -3.800 5.293 1.00 0.29 C ATOM 140 C LYS A 60 -8.856 -4.344 6.187 1.00 0.25 C ATOM 141 O LYS A 60 -7.724 -3.870 6.127 1.00 0.26 O ATOM 142 CB LYS A 60 -11.098 -3.192 6.159 1.00 0.37 C ATOM 143 CG LYS A 60 -10.677 -2.016 7.040 1.00 0.57 C ATOM 144 CD LYS A 60 -9.938 -2.461 8.287 1.00 0.43 C ATOM 145 CE LYS A 60 -9.667 -1.288 9.200 1.00 0.76 C ATOM 146 NZ LYS A 60 -9.005 -0.168 8.480 1.00 1.62 N ATOM 0 H LYS A 60 -11.567 -4.896 4.451 1.00 0.29 H new ATOM 0 HA LYS A 60 -9.534 -3.034 4.656 1.00 0.29 H new ATOM 0 HB2 LYS A 60 -11.904 -2.863 5.503 1.00 0.37 H new ATOM 0 HB3 LYS A 60 -11.507 -3.975 6.797 1.00 0.37 H new ATOM 0 HG2 LYS A 60 -10.040 -1.344 6.464 1.00 0.57 H new ATOM 0 HG3 LYS A 60 -11.561 -1.448 7.329 1.00 0.57 H new ATOM 0 HD2 LYS A 60 -10.527 -3.210 8.816 1.00 0.43 H new ATOM 0 HD3 LYS A 60 -8.997 -2.935 8.007 1.00 0.43 H new ATOM 0 HE2 LYS A 60 -10.605 -0.939 9.631 1.00 0.76 H new ATOM 0 HE3 LYS A 60 -9.036 -1.611 10.028 1.00 0.76 H new ATOM 0 HZ1 LYS A 60 -8.209 0.187 9.047 1.00 1.62 H new ATOM 0 HZ2 LYS A 60 -8.652 -0.506 7.562 1.00 1.62 H new ATOM 0 HZ3 LYS A 60 -9.690 0.599 8.327 1.00 1.62 H new ATOM 160 N LEU A 61 -9.169 -5.353 6.989 1.00 0.25 N ATOM 161 CA LEU A 61 -8.181 -5.937 7.877 1.00 0.25 C ATOM 162 C LEU A 61 -6.988 -6.472 7.117 1.00 0.26 C ATOM 163 O LEU A 61 -5.841 -6.265 7.512 1.00 0.30 O ATOM 164 CB LEU A 61 -8.786 -7.053 8.698 1.00 0.30 C ATOM 165 CG LEU A 61 -8.817 -6.783 10.193 1.00 0.36 C ATOM 166 CD1 LEU A 61 -9.007 -8.083 10.949 1.00 0.66 C ATOM 167 CD2 LEU A 61 -7.550 -6.059 10.642 1.00 0.63 C ATOM 0 H LEU A 61 -10.094 -5.780 7.041 1.00 0.25 H new ATOM 0 HA LEU A 61 -7.843 -5.139 8.538 1.00 0.25 H new ATOM 0 HB2 LEU A 61 -9.804 -7.232 8.352 1.00 0.30 H new ATOM 0 HB3 LEU A 61 -8.222 -7.968 8.517 1.00 0.30 H new ATOM 0 HG LEU A 61 -9.661 -6.130 10.415 1.00 0.36 H new ATOM 0 HD11 LEU A 61 -9.028 -7.881 12.020 1.00 0.66 H new ATOM 0 HD12 LEU A 61 -9.947 -8.545 10.648 1.00 0.66 H new ATOM 0 HD13 LEU A 61 -8.182 -8.759 10.723 1.00 0.66 H new ATOM 0 HD21 LEU A 61 -7.596 -5.877 11.716 1.00 0.63 H new ATOM 0 HD22 LEU A 61 -6.679 -6.675 10.415 1.00 0.63 H new ATOM 0 HD23 LEU A 61 -7.469 -5.108 10.116 1.00 0.63 H new ATOM 179 N GLU A 62 -7.271 -7.177 6.045 1.00 0.25 N ATOM 180 CA GLU A 62 -6.251 -7.728 5.218 1.00 0.29 C ATOM 181 C GLU A 62 -5.347 -6.634 4.682 1.00 0.23 C ATOM 182 O GLU A 62 -4.131 -6.750 4.750 1.00 0.20 O ATOM 183 CB GLU A 62 -6.878 -8.498 4.077 1.00 0.39 C ATOM 184 CG GLU A 62 -6.006 -9.639 3.663 1.00 0.63 C ATOM 185 CD GLU A 62 -6.558 -10.452 2.513 1.00 1.48 C ATOM 186 OE1 GLU A 62 -7.587 -11.132 2.705 1.00 1.98 O ATOM 187 OE2 GLU A 62 -5.945 -10.449 1.425 1.00 2.20 O ATOM 0 H GLU A 62 -8.221 -7.378 5.731 1.00 0.25 H new ATOM 0 HA GLU A 62 -5.644 -8.408 5.816 1.00 0.29 H new ATOM 0 HB2 GLU A 62 -7.856 -8.873 4.380 1.00 0.39 H new ATOM 0 HB3 GLU A 62 -7.040 -7.832 3.229 1.00 0.39 H new ATOM 0 HG2 GLU A 62 -5.027 -9.251 3.383 1.00 0.63 H new ATOM 0 HG3 GLU A 62 -5.855 -10.296 4.519 1.00 0.63 H new ATOM 194 N ASN A 63 -5.946 -5.562 4.190 1.00 0.22 N ATOM 195 CA ASN A 63 -5.204 -4.491 3.550 1.00 0.19 C ATOM 196 C ASN A 63 -4.387 -3.716 4.560 1.00 0.15 C ATOM 197 O ASN A 63 -3.231 -3.391 4.305 1.00 0.16 O ATOM 198 CB ASN A 63 -6.159 -3.553 2.821 1.00 0.21 C ATOM 199 CG ASN A 63 -6.879 -4.231 1.678 1.00 0.27 C ATOM 200 OD1 ASN A 63 -6.402 -5.219 1.130 1.00 0.33 O ATOM 201 ND2 ASN A 63 -8.033 -3.699 1.308 1.00 0.27 N ATOM 0 H ASN A 63 -6.954 -5.411 4.223 1.00 0.22 H new ATOM 0 HA ASN A 63 -4.520 -4.937 2.828 1.00 0.19 H new ATOM 0 HB2 ASN A 63 -6.892 -3.165 3.528 1.00 0.21 H new ATOM 0 HB3 ASN A 63 -5.601 -2.698 2.438 1.00 0.21 H new ATOM 0 HD21 ASN A 63 -8.562 -4.112 0.540 1.00 0.27 H new ATOM 0 HD22 ASN A 63 -8.394 -2.876 1.791 1.00 0.27 H new ATOM 208 N GLU A 64 -4.992 -3.415 5.697 1.00 0.15 N ATOM 209 CA GLU A 64 -4.290 -2.855 6.812 1.00 0.16 C ATOM 210 C GLU A 64 -3.047 -3.660 7.108 1.00 0.14 C ATOM 211 O GLU A 64 -1.931 -3.143 7.084 1.00 0.17 O ATOM 212 CB GLU A 64 -5.216 -2.887 7.987 1.00 0.21 C ATOM 213 CG GLU A 64 -5.992 -1.611 8.141 1.00 0.30 C ATOM 214 CD GLU A 64 -6.344 -0.900 6.854 1.00 1.20 C ATOM 215 OE1 GLU A 64 -5.484 -0.172 6.323 1.00 1.77 O ATOM 216 OE2 GLU A 64 -7.506 -1.004 6.423 1.00 1.75 O ATOM 0 H GLU A 64 -5.989 -3.557 5.861 1.00 0.15 H new ATOM 0 HA GLU A 64 -3.981 -1.833 6.593 1.00 0.16 H new ATOM 0 HB2 GLU A 64 -5.910 -3.720 7.876 1.00 0.21 H new ATOM 0 HB3 GLU A 64 -4.641 -3.071 8.894 1.00 0.21 H new ATOM 0 HG2 GLU A 64 -6.915 -1.831 8.678 1.00 0.30 H new ATOM 0 HG3 GLU A 64 -5.415 -0.929 8.766 1.00 0.30 H new ATOM 223 N LYS A 65 -3.270 -4.940 7.346 1.00 0.13 N ATOM 224 CA LYS A 65 -2.221 -5.871 7.670 1.00 0.14 C ATOM 225 C LYS A 65 -1.181 -5.939 6.568 1.00 0.12 C ATOM 226 O LYS A 65 0.005 -5.795 6.821 1.00 0.14 O ATOM 227 CB LYS A 65 -2.829 -7.239 7.872 1.00 0.20 C ATOM 228 CG LYS A 65 -2.219 -7.979 9.030 1.00 0.44 C ATOM 229 CD LYS A 65 -1.149 -8.966 8.599 1.00 0.86 C ATOM 230 CE LYS A 65 -1.713 -10.042 7.689 1.00 1.32 C ATOM 231 NZ LYS A 65 -0.759 -11.164 7.505 1.00 1.93 N ATOM 0 H LYS A 65 -4.199 -5.361 7.318 1.00 0.13 H new ATOM 0 HA LYS A 65 -1.725 -5.533 8.580 1.00 0.14 H new ATOM 0 HB2 LYS A 65 -3.901 -7.135 8.037 1.00 0.20 H new ATOM 0 HB3 LYS A 65 -2.702 -7.827 6.963 1.00 0.20 H new ATOM 0 HG2 LYS A 65 -1.785 -7.261 9.726 1.00 0.44 H new ATOM 0 HG3 LYS A 65 -3.003 -8.512 9.568 1.00 0.44 H new ATOM 0 HD2 LYS A 65 -0.350 -8.434 8.082 1.00 0.86 H new ATOM 0 HD3 LYS A 65 -0.705 -9.430 9.480 1.00 0.86 H new ATOM 0 HE2 LYS A 65 -2.644 -10.422 8.109 1.00 1.32 H new ATOM 0 HE3 LYS A 65 -1.955 -9.608 6.719 1.00 1.32 H new ATOM 0 HZ1 LYS A 65 -0.757 -11.458 6.507 1.00 1.93 H new ATOM 0 HZ2 LYS A 65 0.196 -10.856 7.778 1.00 1.93 H new ATOM 0 HZ3 LYS A 65 -1.047 -11.966 8.101 1.00 1.93 H new ATOM 245 N LEU A 66 -1.645 -6.172 5.350 1.00 0.11 N ATOM 246 CA LEU A 66 -0.766 -6.250 4.185 1.00 0.10 C ATOM 247 C LEU A 66 0.086 -5.000 4.076 1.00 0.08 C ATOM 248 O LEU A 66 1.279 -5.075 3.797 1.00 0.08 O ATOM 249 CB LEU A 66 -1.576 -6.430 2.903 1.00 0.10 C ATOM 250 CG LEU A 66 -2.271 -7.778 2.748 1.00 0.14 C ATOM 251 CD1 LEU A 66 -3.142 -7.780 1.506 1.00 0.18 C ATOM 252 CD2 LEU A 66 -1.248 -8.897 2.682 1.00 0.17 C ATOM 0 H LEU A 66 -2.633 -6.312 5.138 1.00 0.11 H new ATOM 0 HA LEU A 66 -0.116 -7.116 4.315 1.00 0.10 H new ATOM 0 HB2 LEU A 66 -2.331 -5.645 2.858 1.00 0.10 H new ATOM 0 HB3 LEU A 66 -0.912 -6.283 2.051 1.00 0.10 H new ATOM 0 HG LEU A 66 -2.907 -7.944 3.618 1.00 0.14 H new ATOM 0 HD11 LEU A 66 -3.632 -8.748 1.407 1.00 0.18 H new ATOM 0 HD12 LEU A 66 -3.897 -6.998 1.590 1.00 0.18 H new ATOM 0 HD13 LEU A 66 -2.524 -7.595 0.628 1.00 0.18 H new ATOM 0 HD21 LEU A 66 -1.761 -9.853 2.571 1.00 0.17 H new ATOM 0 HD22 LEU A 66 -0.589 -8.738 1.828 1.00 0.17 H new ATOM 0 HD23 LEU A 66 -0.658 -8.906 3.599 1.00 0.17 H new ATOM 264 N PHE A 67 -0.534 -3.850 4.299 1.00 0.07 N ATOM 265 CA PHE A 67 0.186 -2.597 4.326 1.00 0.06 C ATOM 266 C PHE A 67 1.290 -2.635 5.374 1.00 0.06 C ATOM 267 O PHE A 67 2.425 -2.284 5.088 1.00 0.07 O ATOM 268 CB PHE A 67 -0.760 -1.432 4.612 1.00 0.08 C ATOM 269 CG PHE A 67 -0.049 -0.116 4.632 1.00 0.08 C ATOM 270 CD1 PHE A 67 0.750 0.242 3.567 1.00 0.08 C ATOM 271 CD2 PHE A 67 -0.166 0.747 5.708 1.00 0.12 C ATOM 272 CE1 PHE A 67 1.431 1.446 3.568 1.00 0.08 C ATOM 273 CE2 PHE A 67 0.507 1.952 5.714 1.00 0.12 C ATOM 274 CZ PHE A 67 1.306 2.299 4.640 1.00 0.09 C ATOM 0 H PHE A 67 -1.537 -3.765 4.464 1.00 0.07 H new ATOM 0 HA PHE A 67 0.636 -2.449 3.344 1.00 0.06 H new ATOM 0 HB2 PHE A 67 -1.543 -1.408 3.854 1.00 0.08 H new ATOM 0 HB3 PHE A 67 -1.250 -1.592 5.572 1.00 0.08 H new ATOM 0 HD1 PHE A 67 0.845 -0.425 2.723 1.00 0.08 H new ATOM 0 HD2 PHE A 67 -0.788 0.476 6.548 1.00 0.12 H new ATOM 0 HE1 PHE A 67 2.058 1.715 2.731 1.00 0.08 H new ATOM 0 HE2 PHE A 67 0.410 2.622 6.555 1.00 0.12 H new ATOM 0 HZ PHE A 67 1.833 3.242 4.643 1.00 0.09 H new ATOM 284 N GLU A 68 0.947 -3.062 6.581 1.00 0.08 N ATOM 285 CA GLU A 68 1.923 -3.177 7.660 1.00 0.09 C ATOM 286 C GLU A 68 2.990 -4.193 7.303 1.00 0.10 C ATOM 287 O GLU A 68 4.170 -3.974 7.546 1.00 0.12 O ATOM 288 CB GLU A 68 1.257 -3.610 8.962 1.00 0.14 C ATOM 289 CG GLU A 68 -0.034 -2.887 9.258 1.00 0.21 C ATOM 290 CD GLU A 68 -0.579 -3.201 10.632 1.00 0.87 C ATOM 291 OE1 GLU A 68 -1.110 -4.314 10.831 1.00 1.47 O ATOM 292 OE2 GLU A 68 -0.476 -2.332 11.523 1.00 1.19 O ATOM 0 H GLU A 68 -0.001 -3.335 6.840 1.00 0.08 H new ATOM 0 HA GLU A 68 2.374 -2.194 7.796 1.00 0.09 H new ATOM 0 HB2 GLU A 68 1.061 -4.681 8.919 1.00 0.14 H new ATOM 0 HB3 GLU A 68 1.951 -3.446 9.786 1.00 0.14 H new ATOM 0 HG2 GLU A 68 0.129 -1.813 9.174 1.00 0.21 H new ATOM 0 HG3 GLU A 68 -0.777 -3.157 8.507 1.00 0.21 H new ATOM 299 N GLU A 69 2.561 -5.295 6.707 1.00 0.10 N ATOM 300 CA GLU A 69 3.467 -6.364 6.309 1.00 0.12 C ATOM 301 C GLU A 69 4.507 -5.812 5.353 1.00 0.11 C ATOM 302 O GLU A 69 5.682 -6.176 5.399 1.00 0.14 O ATOM 303 CB GLU A 69 2.695 -7.487 5.616 1.00 0.15 C ATOM 304 CG GLU A 69 1.780 -8.293 6.518 1.00 0.25 C ATOM 305 CD GLU A 69 2.333 -9.673 6.816 1.00 0.81 C ATOM 306 OE1 GLU A 69 3.275 -10.106 6.118 1.00 1.34 O ATOM 307 OE2 GLU A 69 1.825 -10.337 7.742 1.00 1.21 O ATOM 0 H GLU A 69 1.581 -5.474 6.486 1.00 0.10 H new ATOM 0 HA GLU A 69 3.952 -6.763 7.200 1.00 0.12 H new ATOM 0 HB2 GLU A 69 2.098 -7.054 4.813 1.00 0.15 H new ATOM 0 HB3 GLU A 69 3.411 -8.165 5.151 1.00 0.15 H new ATOM 0 HG2 GLU A 69 1.630 -7.755 7.454 1.00 0.25 H new ATOM 0 HG3 GLU A 69 0.802 -8.390 6.046 1.00 0.25 H new ATOM 314 N PHE A 70 4.047 -4.913 4.500 1.00 0.09 N ATOM 315 CA PHE A 70 4.869 -4.284 3.511 1.00 0.09 C ATOM 316 C PHE A 70 5.673 -3.152 4.154 1.00 0.08 C ATOM 317 O PHE A 70 6.850 -2.968 3.865 1.00 0.10 O ATOM 318 CB PHE A 70 3.965 -3.765 2.400 1.00 0.09 C ATOM 319 CG PHE A 70 4.682 -3.118 1.266 1.00 0.09 C ATOM 320 CD1 PHE A 70 5.012 -1.791 1.346 1.00 0.12 C ATOM 321 CD2 PHE A 70 5.010 -3.829 0.124 1.00 0.11 C ATOM 322 CE1 PHE A 70 5.662 -1.165 0.312 1.00 0.14 C ATOM 323 CE2 PHE A 70 5.664 -3.210 -0.921 1.00 0.13 C ATOM 324 CZ PHE A 70 5.993 -1.872 -0.824 1.00 0.13 C ATOM 0 H PHE A 70 3.075 -4.603 4.484 1.00 0.09 H new ATOM 0 HA PHE A 70 5.580 -4.994 3.088 1.00 0.09 H new ATOM 0 HB2 PHE A 70 3.375 -4.595 2.013 1.00 0.09 H new ATOM 0 HB3 PHE A 70 3.264 -3.047 2.826 1.00 0.09 H new ATOM 0 HD1 PHE A 70 4.758 -1.231 2.233 1.00 0.12 H new ATOM 0 HD2 PHE A 70 4.752 -4.875 0.051 1.00 0.11 H new ATOM 0 HE1 PHE A 70 5.914 -0.118 0.388 1.00 0.14 H new ATOM 0 HE2 PHE A 70 5.917 -3.768 -1.810 1.00 0.13 H new ATOM 0 HZ PHE A 70 6.508 -1.381 -1.636 1.00 0.13 H new ATOM 334 N LEU A 71 5.005 -2.385 5.016 1.00 0.07 N ATOM 335 CA LEU A 71 5.625 -1.292 5.744 1.00 0.08 C ATOM 336 C LEU A 71 6.796 -1.762 6.601 1.00 0.08 C ATOM 337 O LEU A 71 7.905 -1.240 6.491 1.00 0.09 O ATOM 338 CB LEU A 71 4.589 -0.585 6.616 1.00 0.09 C ATOM 339 CG LEU A 71 4.073 0.728 6.042 1.00 0.10 C ATOM 340 CD1 LEU A 71 3.611 1.670 7.129 1.00 0.12 C ATOM 341 CD2 LEU A 71 5.148 1.384 5.228 1.00 0.10 C ATOM 0 H LEU A 71 4.015 -2.510 5.226 1.00 0.07 H new ATOM 0 HA LEU A 71 6.019 -0.593 5.006 1.00 0.08 H new ATOM 0 HB2 LEU A 71 3.744 -1.256 6.772 1.00 0.09 H new ATOM 0 HB3 LEU A 71 5.027 -0.392 7.595 1.00 0.09 H new ATOM 0 HG LEU A 71 3.215 0.500 5.409 1.00 0.10 H new ATOM 0 HD11 LEU A 71 3.250 2.595 6.680 1.00 0.12 H new ATOM 0 HD12 LEU A 71 2.805 1.204 7.696 1.00 0.12 H new ATOM 0 HD13 LEU A 71 4.444 1.892 7.797 1.00 0.12 H new ATOM 0 HD21 LEU A 71 4.774 2.323 4.820 1.00 0.10 H new ATOM 0 HD22 LEU A 71 6.013 1.583 5.861 1.00 0.10 H new ATOM 0 HD23 LEU A 71 5.440 0.724 4.411 1.00 0.10 H new ATOM 353 N GLU A 72 6.531 -2.732 7.466 1.00 0.08 N ATOM 354 CA GLU A 72 7.575 -3.345 8.292 1.00 0.11 C ATOM 355 C GLU A 72 8.686 -3.873 7.411 1.00 0.09 C ATOM 356 O GLU A 72 9.870 -3.710 7.711 1.00 0.12 O ATOM 357 CB GLU A 72 7.012 -4.492 9.122 1.00 0.19 C ATOM 358 CG GLU A 72 5.855 -4.074 9.988 1.00 0.26 C ATOM 359 CD GLU A 72 6.261 -3.112 11.085 1.00 0.59 C ATOM 360 OE1 GLU A 72 6.992 -3.529 12.005 1.00 0.89 O ATOM 361 OE2 GLU A 72 5.850 -1.933 11.037 1.00 1.13 O ATOM 0 H GLU A 72 5.598 -3.116 7.618 1.00 0.08 H new ATOM 0 HA GLU A 72 7.964 -2.580 8.964 1.00 0.11 H new ATOM 0 HB2 GLU A 72 6.690 -5.292 8.456 1.00 0.19 H new ATOM 0 HB3 GLU A 72 7.802 -4.900 9.752 1.00 0.19 H new ATOM 0 HG2 GLU A 72 5.091 -3.607 9.366 1.00 0.26 H new ATOM 0 HG3 GLU A 72 5.404 -4.959 10.436 1.00 0.26 H new ATOM 368 N LEU A 73 8.277 -4.524 6.333 1.00 0.10 N ATOM 369 CA LEU A 73 9.197 -4.984 5.297 1.00 0.11 C ATOM 370 C LEU A 73 10.075 -3.840 4.833 1.00 0.10 C ATOM 371 O LEU A 73 11.293 -3.957 4.834 1.00 0.12 O ATOM 372 CB LEU A 73 8.408 -5.547 4.108 1.00 0.14 C ATOM 373 CG LEU A 73 9.240 -5.979 2.898 1.00 0.20 C ATOM 374 CD1 LEU A 73 9.868 -7.339 3.125 1.00 0.49 C ATOM 375 CD2 LEU A 73 8.386 -5.988 1.641 1.00 0.46 C ATOM 0 H LEU A 73 7.299 -4.750 6.149 1.00 0.10 H new ATOM 0 HA LEU A 73 9.828 -5.770 5.712 1.00 0.11 H new ATOM 0 HB2 LEU A 73 7.831 -6.405 4.453 1.00 0.14 H new ATOM 0 HB3 LEU A 73 7.692 -4.792 3.782 1.00 0.14 H new ATOM 0 HG LEU A 73 10.045 -5.256 2.766 1.00 0.20 H new ATOM 0 HD11 LEU A 73 10.453 -7.620 2.249 1.00 0.49 H new ATOM 0 HD12 LEU A 73 10.519 -7.298 3.998 1.00 0.49 H new ATOM 0 HD13 LEU A 73 9.085 -8.078 3.291 1.00 0.49 H new ATOM 0 HD21 LEU A 73 8.994 -6.297 0.791 1.00 0.46 H new ATOM 0 HD22 LEU A 73 7.558 -6.686 1.769 1.00 0.46 H new ATOM 0 HD23 LEU A 73 7.993 -4.987 1.461 1.00 0.46 H new ATOM 387 N CYS A 74 9.453 -2.728 4.474 1.00 0.09 N ATOM 388 CA CYS A 74 10.196 -1.561 4.023 1.00 0.10 C ATOM 389 C CYS A 74 11.194 -1.118 5.081 1.00 0.11 C ATOM 390 O CYS A 74 12.350 -0.888 4.771 1.00 0.14 O ATOM 391 CB CYS A 74 9.252 -0.416 3.670 1.00 0.10 C ATOM 392 SG CYS A 74 8.159 -0.787 2.290 1.00 0.11 S ATOM 0 H CYS A 74 8.440 -2.609 4.486 1.00 0.09 H new ATOM 0 HA CYS A 74 10.745 -1.840 3.124 1.00 0.10 H new ATOM 0 HB2 CYS A 74 8.650 -0.170 4.544 1.00 0.10 H new ATOM 0 HB3 CYS A 74 9.841 0.469 3.429 1.00 0.10 H new ATOM 0 HG CYS A 74 7.328 -1.725 2.635 1.00 0.11 H new ATOM 398 N LYS A 75 10.776 -1.069 6.343 1.00 0.11 N ATOM 399 CA LYS A 75 11.676 -0.683 7.426 1.00 0.12 C ATOM 400 C LYS A 75 12.895 -1.608 7.478 1.00 0.13 C ATOM 401 O LYS A 75 13.931 -1.264 8.046 1.00 0.16 O ATOM 402 CB LYS A 75 10.942 -0.740 8.761 1.00 0.13 C ATOM 403 CG LYS A 75 9.736 0.160 8.848 1.00 0.18 C ATOM 404 CD LYS A 75 8.982 -0.108 10.129 1.00 0.20 C ATOM 405 CE LYS A 75 7.732 0.734 10.226 1.00 0.30 C ATOM 406 NZ LYS A 75 6.988 0.468 11.482 1.00 0.32 N ATOM 0 H LYS A 75 9.826 -1.290 6.640 1.00 0.11 H new ATOM 0 HA LYS A 75 12.015 0.336 7.237 1.00 0.12 H new ATOM 0 HB2 LYS A 75 10.627 -1.767 8.945 1.00 0.13 H new ATOM 0 HB3 LYS A 75 11.638 -0.472 9.556 1.00 0.13 H new ATOM 0 HG2 LYS A 75 10.048 1.204 8.812 1.00 0.18 H new ATOM 0 HG3 LYS A 75 9.084 -0.008 7.991 1.00 0.18 H new ATOM 0 HD2 LYS A 75 8.715 -1.164 10.180 1.00 0.20 H new ATOM 0 HD3 LYS A 75 9.628 0.099 10.982 1.00 0.20 H new ATOM 0 HE2 LYS A 75 7.999 1.790 10.178 1.00 0.30 H new ATOM 0 HE3 LYS A 75 7.088 0.529 9.371 1.00 0.30 H new ATOM 0 HZ1 LYS A 75 6.327 1.249 11.666 1.00 0.32 H new ATOM 0 HZ2 LYS A 75 6.456 -0.421 11.389 1.00 0.32 H new ATOM 0 HZ3 LYS A 75 7.659 0.389 12.273 1.00 0.32 H new ATOM 420 N MET A 76 12.754 -2.786 6.882 1.00 0.12 N ATOM 421 CA MET A 76 13.810 -3.777 6.868 1.00 0.13 C ATOM 422 C MET A 76 14.750 -3.577 5.678 1.00 0.14 C ATOM 423 O MET A 76 15.959 -3.774 5.800 1.00 0.16 O ATOM 424 CB MET A 76 13.199 -5.186 6.839 1.00 0.14 C ATOM 425 CG MET A 76 12.395 -5.511 8.084 1.00 0.15 C ATOM 426 SD MET A 76 12.010 -7.266 8.252 1.00 0.21 S ATOM 427 CE MET A 76 10.924 -7.514 6.853 1.00 0.40 C ATOM 0 H MET A 76 11.904 -3.076 6.397 1.00 0.12 H new ATOM 0 HA MET A 76 14.401 -3.659 7.776 1.00 0.13 H new ATOM 0 HB2 MET A 76 12.556 -5.279 5.964 1.00 0.14 H new ATOM 0 HB3 MET A 76 13.997 -5.920 6.727 1.00 0.14 H new ATOM 0 HG2 MET A 76 12.951 -5.183 8.962 1.00 0.15 H new ATOM 0 HG3 MET A 76 11.465 -4.943 8.065 1.00 0.15 H new ATOM 0 HE1 MET A 76 10.729 -8.579 6.728 1.00 0.40 H new ATOM 0 HE2 MET A 76 9.983 -6.991 7.025 1.00 0.40 H new ATOM 0 HE3 MET A 76 11.396 -7.123 5.952 1.00 0.40 H new ATOM 437 N GLN A 77 14.199 -3.182 4.531 1.00 0.14 N ATOM 438 CA GLN A 77 14.984 -3.070 3.305 1.00 0.15 C ATOM 439 C GLN A 77 15.239 -1.625 2.858 1.00 0.16 C ATOM 440 O GLN A 77 16.097 -1.386 2.010 1.00 0.22 O ATOM 441 CB GLN A 77 14.292 -3.835 2.177 1.00 0.19 C ATOM 442 CG GLN A 77 12.916 -4.366 2.526 1.00 0.21 C ATOM 443 CD GLN A 77 12.734 -5.810 2.129 1.00 0.38 C ATOM 444 OE1 GLN A 77 12.335 -6.122 1.012 1.00 0.83 O ATOM 445 NE2 GLN A 77 12.999 -6.698 3.069 1.00 0.25 N ATOM 0 H GLN A 77 13.215 -2.935 4.426 1.00 0.14 H new ATOM 0 HA GLN A 77 15.959 -3.502 3.529 1.00 0.15 H new ATOM 0 HB2 GLN A 77 14.205 -3.179 1.311 1.00 0.19 H new ATOM 0 HB3 GLN A 77 14.925 -4.671 1.881 1.00 0.19 H new ATOM 0 HG2 GLN A 77 12.753 -4.265 3.599 1.00 0.21 H new ATOM 0 HG3 GLN A 77 12.159 -3.758 2.030 1.00 0.21 H new ATOM 0 HE21 GLN A 77 13.329 -6.390 3.984 1.00 0.25 H new ATOM 0 HE22 GLN A 77 12.874 -7.693 2.881 1.00 0.25 H new ATOM 454 N THR A 78 14.516 -0.661 3.406 1.00 0.17 N ATOM 455 CA THR A 78 14.663 0.717 2.964 1.00 0.22 C ATOM 456 C THR A 78 15.427 1.534 3.986 1.00 0.30 C ATOM 457 O THR A 78 15.010 2.630 4.344 1.00 0.32 O ATOM 458 CB THR A 78 13.310 1.422 2.682 1.00 0.17 C ATOM 459 OG1 THR A 78 12.540 1.550 3.880 1.00 0.14 O ATOM 460 CG2 THR A 78 12.499 0.675 1.644 1.00 0.22 C ATOM 0 H THR A 78 13.830 -0.804 4.148 1.00 0.17 H new ATOM 0 HA THR A 78 15.215 0.662 2.026 1.00 0.22 H new ATOM 0 HB THR A 78 13.544 2.414 2.296 1.00 0.17 H new ATOM 0 HG1 THR A 78 12.729 0.793 4.473 1.00 0.14 H new ATOM 0 HG21 THR A 78 11.558 1.198 1.472 1.00 0.22 H new ATOM 0 HG22 THR A 78 13.061 0.623 0.711 1.00 0.22 H new ATOM 0 HG23 THR A 78 12.293 -0.334 2.000 1.00 0.22 H new ATOM 468 N ALA A 79 16.530 0.997 4.481 1.00 0.38 N ATOM 469 CA ALA A 79 17.394 1.739 5.387 1.00 0.50 C ATOM 470 C ALA A 79 17.831 3.067 4.788 1.00 0.52 C ATOM 471 O ALA A 79 17.981 4.060 5.498 1.00 0.55 O ATOM 472 CB ALA A 79 18.607 0.909 5.716 1.00 0.67 C ATOM 0 H ALA A 79 16.849 0.051 4.272 1.00 0.38 H new ATOM 0 HA ALA A 79 16.827 1.952 6.293 1.00 0.50 H new ATOM 0 HB1 ALA A 79 19.255 1.464 6.395 1.00 0.67 H new ATOM 0 HB2 ALA A 79 18.294 -0.020 6.192 1.00 0.67 H new ATOM 0 HB3 ALA A 79 19.152 0.681 4.800 1.00 0.67 H new ATOM 478 N ASP A 80 18.029 3.081 3.475 1.00 0.53 N ATOM 479 CA ASP A 80 18.432 4.290 2.774 1.00 0.57 C ATOM 480 C ASP A 80 17.268 5.263 2.674 1.00 0.52 C ATOM 481 O ASP A 80 17.451 6.463 2.474 1.00 0.57 O ATOM 482 CB ASP A 80 18.929 3.938 1.370 1.00 0.65 C ATOM 483 CG ASP A 80 19.467 5.136 0.612 1.00 1.21 C ATOM 484 OD1 ASP A 80 20.539 5.653 0.988 1.00 1.94 O ATOM 485 OD2 ASP A 80 18.837 5.548 -0.382 1.00 1.46 O ATOM 0 H ASP A 80 17.916 2.264 2.874 1.00 0.53 H new ATOM 0 HA ASP A 80 19.237 4.763 3.336 1.00 0.57 H new ATOM 0 HB2 ASP A 80 19.711 3.183 1.447 1.00 0.65 H new ATOM 0 HB3 ASP A 80 18.111 3.494 0.802 1.00 0.65 H new ATOM 490 N HIS A 81 16.069 4.732 2.828 1.00 0.43 N ATOM 491 CA HIS A 81 14.859 5.535 2.726 1.00 0.38 C ATOM 492 C HIS A 81 13.887 5.226 3.850 1.00 0.29 C ATOM 493 O HIS A 81 12.815 4.671 3.621 1.00 0.23 O ATOM 494 CB HIS A 81 14.177 5.326 1.373 1.00 0.41 C ATOM 495 CG HIS A 81 14.879 6.018 0.245 1.00 0.61 C ATOM 496 ND1 HIS A 81 14.679 7.345 -0.064 1.00 0.99 N ATOM 497 CD2 HIS A 81 15.793 5.561 -0.641 1.00 0.70 C ATOM 498 CE1 HIS A 81 15.431 7.670 -1.094 1.00 1.08 C ATOM 499 NE2 HIS A 81 16.121 6.608 -1.466 1.00 0.86 N ATOM 0 H HIS A 81 15.904 3.745 3.025 1.00 0.43 H new ATOM 0 HA HIS A 81 15.158 6.580 2.813 1.00 0.38 H new ATOM 0 HB2 HIS A 81 14.126 4.258 1.160 1.00 0.41 H new ATOM 0 HB3 HIS A 81 13.151 5.689 1.431 1.00 0.41 H new ATOM 0 HD1 HIS A 81 14.047 7.977 0.428 1.00 0.99 H new ATOM 0 HD2 HIS A 81 16.191 4.558 -0.690 1.00 0.70 H new ATOM 0 HE1 HIS A 81 15.476 8.644 -1.558 1.00 1.08 H new ATOM 508 N PRO A 82 14.240 5.595 5.089 1.00 0.32 N ATOM 509 CA PRO A 82 13.353 5.427 6.237 1.00 0.29 C ATOM 510 C PRO A 82 12.148 6.354 6.144 1.00 0.26 C ATOM 511 O PRO A 82 11.179 6.216 6.881 1.00 0.29 O ATOM 512 CB PRO A 82 14.230 5.786 7.430 1.00 0.38 C ATOM 513 CG PRO A 82 15.326 6.630 6.886 1.00 0.44 C ATOM 514 CD PRO A 82 15.535 6.193 5.469 1.00 0.41 C ATOM 0 HA PRO A 82 12.942 4.420 6.304 1.00 0.29 H new ATOM 0 HB2 PRO A 82 13.660 6.325 8.187 1.00 0.38 H new ATOM 0 HB3 PRO A 82 14.626 4.890 7.908 1.00 0.38 H new ATOM 0 HG2 PRO A 82 15.061 7.686 6.931 1.00 0.44 H new ATOM 0 HG3 PRO A 82 16.238 6.505 7.469 1.00 0.44 H new ATOM 0 HD2 PRO A 82 15.791 7.034 4.825 1.00 0.41 H new ATOM 0 HD3 PRO A 82 16.348 5.471 5.389 1.00 0.41 H new ATOM 522 N GLU A 83 12.240 7.295 5.211 1.00 0.23 N ATOM 523 CA GLU A 83 11.166 8.229 4.903 1.00 0.21 C ATOM 524 C GLU A 83 10.064 7.540 4.105 1.00 0.17 C ATOM 525 O GLU A 83 8.933 8.018 4.033 1.00 0.18 O ATOM 526 CB GLU A 83 11.740 9.363 4.071 1.00 0.28 C ATOM 527 CG GLU A 83 11.908 8.959 2.625 1.00 0.46 C ATOM 528 CD GLU A 83 12.720 9.932 1.807 1.00 0.55 C ATOM 529 OE1 GLU A 83 12.277 11.082 1.629 1.00 1.01 O ATOM 530 OE2 GLU A 83 13.803 9.538 1.331 1.00 0.95 O ATOM 0 H GLU A 83 13.074 7.431 4.640 1.00 0.23 H new ATOM 0 HA GLU A 83 10.741 8.604 5.834 1.00 0.21 H new ATOM 0 HB2 GLU A 83 11.083 10.230 4.133 1.00 0.28 H new ATOM 0 HB3 GLU A 83 12.704 9.664 4.480 1.00 0.28 H new ATOM 0 HG2 GLU A 83 12.385 7.980 2.585 1.00 0.46 H new ATOM 0 HG3 GLU A 83 10.923 8.852 2.171 1.00 0.46 H new ATOM 537 N VAL A 84 10.420 6.424 3.496 1.00 0.15 N ATOM 538 CA VAL A 84 9.530 5.700 2.619 1.00 0.14 C ATOM 539 C VAL A 84 8.322 5.172 3.374 1.00 0.11 C ATOM 540 O VAL A 84 7.211 5.186 2.862 1.00 0.11 O ATOM 541 CB VAL A 84 10.304 4.568 1.919 1.00 0.15 C ATOM 542 CG1 VAL A 84 9.473 3.328 1.757 1.00 0.16 C ATOM 543 CG2 VAL A 84 10.822 5.044 0.575 1.00 0.21 C ATOM 0 H VAL A 84 11.340 5.996 3.599 1.00 0.15 H new ATOM 0 HA VAL A 84 9.150 6.381 1.858 1.00 0.14 H new ATOM 0 HB VAL A 84 11.148 4.304 2.556 1.00 0.15 H new ATOM 0 HG11 VAL A 84 10.062 2.558 1.258 1.00 0.16 H new ATOM 0 HG12 VAL A 84 9.161 2.968 2.738 1.00 0.16 H new ATOM 0 HG13 VAL A 84 8.592 3.556 1.157 1.00 0.16 H new ATOM 0 HG21 VAL A 84 11.368 4.236 0.088 1.00 0.21 H new ATOM 0 HG22 VAL A 84 9.983 5.345 -0.053 1.00 0.21 H new ATOM 0 HG23 VAL A 84 11.488 5.894 0.722 1.00 0.21 H new ATOM 553 N VAL A 85 8.546 4.728 4.594 1.00 0.09 N ATOM 554 CA VAL A 85 7.473 4.259 5.440 1.00 0.09 C ATOM 555 C VAL A 85 6.482 5.372 5.778 1.00 0.10 C ATOM 556 O VAL A 85 5.293 5.208 5.564 1.00 0.10 O ATOM 557 CB VAL A 85 8.033 3.619 6.707 1.00 0.10 C ATOM 558 CG1 VAL A 85 6.940 3.398 7.724 1.00 0.13 C ATOM 559 CG2 VAL A 85 8.734 2.328 6.336 1.00 0.11 C ATOM 0 H VAL A 85 9.471 4.683 5.023 1.00 0.09 H new ATOM 0 HA VAL A 85 6.922 3.502 4.883 1.00 0.09 H new ATOM 0 HB VAL A 85 8.759 4.288 7.170 1.00 0.10 H new ATOM 0 HG11 VAL A 85 7.363 2.941 8.619 1.00 0.13 H new ATOM 0 HG12 VAL A 85 6.487 4.354 7.985 1.00 0.13 H new ATOM 0 HG13 VAL A 85 6.180 2.739 7.304 1.00 0.13 H new ATOM 0 HG21 VAL A 85 9.138 1.862 7.235 1.00 0.11 H new ATOM 0 HG22 VAL A 85 8.022 1.650 5.865 1.00 0.11 H new ATOM 0 HG23 VAL A 85 9.546 2.542 5.641 1.00 0.11 H new ATOM 569 N PRO A 86 6.945 6.500 6.331 1.00 0.12 N ATOM 570 CA PRO A 86 6.107 7.680 6.520 1.00 0.14 C ATOM 571 C PRO A 86 5.368 8.074 5.242 1.00 0.14 C ATOM 572 O PRO A 86 4.186 8.391 5.283 1.00 0.18 O ATOM 573 CB PRO A 86 7.073 8.790 6.915 1.00 0.18 C ATOM 574 CG PRO A 86 8.397 8.145 7.164 1.00 0.18 C ATOM 575 CD PRO A 86 8.286 6.678 6.870 1.00 0.14 C ATOM 0 HA PRO A 86 5.338 7.491 7.270 1.00 0.14 H new ATOM 0 HB2 PRO A 86 7.149 9.535 6.123 1.00 0.18 H new ATOM 0 HB3 PRO A 86 6.722 9.308 7.807 1.00 0.18 H new ATOM 0 HG2 PRO A 86 9.162 8.599 6.534 1.00 0.18 H new ATOM 0 HG3 PRO A 86 8.703 8.300 8.199 1.00 0.18 H new ATOM 0 HD2 PRO A 86 9.044 6.361 6.154 1.00 0.14 H new ATOM 0 HD3 PRO A 86 8.431 6.083 7.772 1.00 0.14 H new ATOM 583 N PHE A 87 6.066 8.024 4.109 1.00 0.13 N ATOM 584 CA PHE A 87 5.487 8.357 2.815 1.00 0.14 C ATOM 585 C PHE A 87 4.422 7.333 2.450 1.00 0.12 C ATOM 586 O PHE A 87 3.388 7.661 1.867 1.00 0.12 O ATOM 587 CB PHE A 87 6.595 8.366 1.756 1.00 0.18 C ATOM 588 CG PHE A 87 6.223 8.985 0.436 1.00 0.35 C ATOM 589 CD1 PHE A 87 4.949 9.456 0.212 1.00 0.35 C ATOM 590 CD2 PHE A 87 7.164 9.105 -0.574 1.00 0.85 C ATOM 591 CE1 PHE A 87 4.606 10.037 -0.993 1.00 0.43 C ATOM 592 CE2 PHE A 87 6.831 9.683 -1.785 1.00 1.01 C ATOM 593 CZ PHE A 87 5.549 10.151 -1.994 1.00 0.69 C ATOM 0 H PHE A 87 7.048 7.751 4.065 1.00 0.13 H new ATOM 0 HA PHE A 87 5.024 9.343 2.861 1.00 0.14 H new ATOM 0 HB2 PHE A 87 7.455 8.901 2.159 1.00 0.18 H new ATOM 0 HB3 PHE A 87 6.913 7.339 1.579 1.00 0.18 H new ATOM 0 HD1 PHE A 87 4.206 9.370 0.991 1.00 0.35 H new ATOM 0 HD2 PHE A 87 8.169 8.743 -0.413 1.00 0.85 H new ATOM 0 HE1 PHE A 87 3.602 10.401 -1.152 1.00 0.43 H new ATOM 0 HE2 PHE A 87 7.572 9.768 -2.566 1.00 1.01 H new ATOM 0 HZ PHE A 87 5.285 10.605 -2.938 1.00 0.69 H new ATOM 603 N LEU A 88 4.667 6.107 2.865 1.00 0.10 N ATOM 604 CA LEU A 88 3.781 5.007 2.582 1.00 0.09 C ATOM 605 C LEU A 88 2.570 5.145 3.456 1.00 0.08 C ATOM 606 O LEU A 88 1.425 5.062 3.010 1.00 0.09 O ATOM 607 CB LEU A 88 4.478 3.700 2.918 1.00 0.09 C ATOM 608 CG LEU A 88 4.986 2.910 1.733 1.00 0.10 C ATOM 609 CD1 LEU A 88 5.818 1.748 2.214 1.00 0.11 C ATOM 610 CD2 LEU A 88 3.828 2.412 0.902 1.00 0.10 C ATOM 0 H LEU A 88 5.490 5.849 3.410 1.00 0.10 H new ATOM 0 HA LEU A 88 3.500 5.012 1.529 1.00 0.09 H new ATOM 0 HB2 LEU A 88 5.320 3.916 3.576 1.00 0.09 H new ATOM 0 HB3 LEU A 88 3.786 3.073 3.481 1.00 0.09 H new ATOM 0 HG LEU A 88 5.605 3.559 1.113 1.00 0.10 H new ATOM 0 HD11 LEU A 88 6.182 1.182 1.357 1.00 0.11 H new ATOM 0 HD12 LEU A 88 6.666 2.121 2.789 1.00 0.11 H new ATOM 0 HD13 LEU A 88 5.209 1.100 2.844 1.00 0.11 H new ATOM 0 HD21 LEU A 88 4.207 1.845 0.052 1.00 0.10 H new ATOM 0 HD22 LEU A 88 3.192 1.770 1.512 1.00 0.10 H new ATOM 0 HD23 LEU A 88 3.247 3.261 0.541 1.00 0.10 H new ATOM 622 N TYR A 89 2.872 5.383 4.718 1.00 0.08 N ATOM 623 CA TYR A 89 1.894 5.522 5.748 1.00 0.09 C ATOM 624 C TYR A 89 0.954 6.654 5.400 1.00 0.09 C ATOM 625 O TYR A 89 -0.256 6.494 5.380 1.00 0.11 O ATOM 626 CB TYR A 89 2.620 5.852 7.048 1.00 0.10 C ATOM 627 CG TYR A 89 2.323 4.914 8.157 1.00 0.13 C ATOM 628 CD1 TYR A 89 1.046 4.466 8.336 1.00 0.14 C ATOM 629 CD2 TYR A 89 3.307 4.495 9.026 1.00 0.16 C ATOM 630 CE1 TYR A 89 0.728 3.613 9.354 1.00 0.19 C ATOM 631 CE2 TYR A 89 3.018 3.637 10.053 1.00 0.20 C ATOM 632 CZ TYR A 89 1.720 3.191 10.221 1.00 0.22 C ATOM 633 OH TYR A 89 1.420 2.339 11.259 1.00 0.27 O ATOM 0 H TYR A 89 3.831 5.485 5.050 1.00 0.08 H new ATOM 0 HA TYR A 89 1.321 4.601 5.854 1.00 0.09 H new ATOM 0 HB2 TYR A 89 3.694 5.852 6.863 1.00 0.10 H new ATOM 0 HB3 TYR A 89 2.350 6.862 7.357 1.00 0.10 H new ATOM 0 HD1 TYR A 89 0.271 4.793 7.658 1.00 0.14 H new ATOM 0 HD2 TYR A 89 4.319 4.848 8.895 1.00 0.16 H new ATOM 0 HE1 TYR A 89 -0.289 3.271 9.481 1.00 0.19 H new ATOM 0 HE2 TYR A 89 3.797 3.311 10.726 1.00 0.20 H new ATOM 0 HH TYR A 89 2.234 2.144 11.768 1.00 0.27 H new ATOM 643 N ASN A 90 1.565 7.781 5.087 1.00 0.09 N ATOM 644 CA ASN A 90 0.885 8.982 4.647 1.00 0.09 C ATOM 645 C ASN A 90 -0.053 8.682 3.502 1.00 0.09 C ATOM 646 O ASN A 90 -1.249 8.908 3.608 1.00 0.10 O ATOM 647 CB ASN A 90 1.961 9.976 4.232 1.00 0.11 C ATOM 648 CG ASN A 90 1.476 11.102 3.373 1.00 0.24 C ATOM 649 OD1 ASN A 90 0.850 12.045 3.848 1.00 0.43 O ATOM 650 ND2 ASN A 90 1.825 11.024 2.102 1.00 0.40 N ATOM 0 H ASN A 90 2.578 7.888 5.134 1.00 0.09 H new ATOM 0 HA ASN A 90 0.273 9.395 5.449 1.00 0.09 H new ATOM 0 HB2 ASN A 90 2.417 10.393 5.130 1.00 0.11 H new ATOM 0 HB3 ASN A 90 2.744 9.440 3.696 1.00 0.11 H new ATOM 0 HD21 ASN A 90 1.574 11.774 1.457 1.00 0.40 H new ATOM 0 HD22 ASN A 90 2.346 10.214 1.765 1.00 0.40 H new ATOM 657 N ARG A 91 0.495 8.128 2.433 1.00 0.08 N ATOM 658 CA ARG A 91 -0.273 7.740 1.271 1.00 0.10 C ATOM 659 C ARG A 91 -1.485 6.907 1.639 1.00 0.09 C ATOM 660 O ARG A 91 -2.592 7.176 1.183 1.00 0.11 O ATOM 661 CB ARG A 91 0.627 6.949 0.370 1.00 0.13 C ATOM 662 CG ARG A 91 1.433 7.838 -0.518 1.00 0.16 C ATOM 663 CD ARG A 91 0.585 8.390 -1.639 1.00 0.29 C ATOM 664 NE ARG A 91 -0.643 9.071 -1.232 1.00 0.88 N ATOM 665 CZ ARG A 91 -0.988 10.276 -1.691 1.00 1.05 C ATOM 666 NH1 ARG A 91 -0.110 11.011 -2.360 1.00 1.35 N ATOM 667 NH2 ARG A 91 -2.202 10.764 -1.473 1.00 1.64 N ATOM 0 H ARG A 91 1.493 7.935 2.351 1.00 0.08 H new ATOM 0 HA ARG A 91 -0.642 8.638 0.776 1.00 0.10 H new ATOM 0 HB2 ARG A 91 1.295 6.332 0.972 1.00 0.13 H new ATOM 0 HB3 ARG A 91 0.029 6.271 -0.239 1.00 0.13 H new ATOM 0 HG2 ARG A 91 1.852 8.658 0.065 1.00 0.16 H new ATOM 0 HG3 ARG A 91 2.273 7.280 -0.932 1.00 0.16 H new ATOM 0 HD2 ARG A 91 1.190 9.088 -2.217 1.00 0.29 H new ATOM 0 HD3 ARG A 91 0.319 7.570 -2.306 1.00 0.29 H new ATOM 0 HE ARG A 91 -1.263 8.605 -0.569 1.00 0.88 H new ATOM 0 HH11 ARG A 91 0.832 10.656 -2.525 1.00 1.35 H new ATOM 0 HH12 ARG A 91 -0.377 11.931 -2.710 1.00 1.35 H new ATOM 0 HH21 ARG A 91 -2.885 10.217 -0.949 1.00 1.64 H new ATOM 0 HH22 ARG A 91 -2.452 11.686 -1.829 1.00 1.64 H new ATOM 681 N GLN A 92 -1.256 5.907 2.465 1.00 0.09 N ATOM 682 CA GLN A 92 -2.303 4.993 2.881 1.00 0.12 C ATOM 683 C GLN A 92 -3.306 5.702 3.783 1.00 0.11 C ATOM 684 O GLN A 92 -4.515 5.607 3.587 1.00 0.13 O ATOM 685 CB GLN A 92 -1.658 3.814 3.600 1.00 0.18 C ATOM 686 CG GLN A 92 -2.433 2.515 3.491 1.00 0.35 C ATOM 687 CD GLN A 92 -3.413 2.277 4.623 1.00 0.42 C ATOM 688 OE1 GLN A 92 -3.942 3.204 5.231 1.00 1.05 O ATOM 689 NE2 GLN A 92 -3.655 1.016 4.903 1.00 0.36 N ATOM 0 H GLN A 92 -0.341 5.704 2.867 1.00 0.09 H new ATOM 0 HA GLN A 92 -2.849 4.632 2.009 1.00 0.12 H new ATOM 0 HB2 GLN A 92 -0.657 3.661 3.196 1.00 0.18 H new ATOM 0 HB3 GLN A 92 -1.541 4.066 4.654 1.00 0.18 H new ATOM 0 HG2 GLN A 92 -2.978 2.509 2.547 1.00 0.35 H new ATOM 0 HG3 GLN A 92 -1.727 1.686 3.457 1.00 0.35 H new ATOM 0 HE21 GLN A 92 -3.193 0.278 4.372 1.00 0.36 H new ATOM 0 HE22 GLN A 92 -4.305 0.775 5.651 1.00 0.36 H new ATOM 698 N GLN A 93 -2.788 6.441 4.748 1.00 0.12 N ATOM 699 CA GLN A 93 -3.609 7.156 5.712 1.00 0.14 C ATOM 700 C GLN A 93 -4.507 8.189 5.023 1.00 0.16 C ATOM 701 O GLN A 93 -5.648 8.411 5.430 1.00 0.20 O ATOM 702 CB GLN A 93 -2.719 7.845 6.748 1.00 0.15 C ATOM 703 CG GLN A 93 -2.061 6.892 7.733 1.00 0.15 C ATOM 704 CD GLN A 93 -3.000 5.838 8.276 1.00 0.21 C ATOM 705 OE1 GLN A 93 -3.733 6.067 9.236 1.00 0.28 O ATOM 706 NE2 GLN A 93 -2.932 4.654 7.697 1.00 0.22 N ATOM 0 H GLN A 93 -1.785 6.563 4.886 1.00 0.12 H new ATOM 0 HA GLN A 93 -4.251 6.431 6.211 1.00 0.14 H new ATOM 0 HB2 GLN A 93 -1.943 8.406 6.228 1.00 0.15 H new ATOM 0 HB3 GLN A 93 -3.318 8.567 7.303 1.00 0.15 H new ATOM 0 HG2 GLN A 93 -1.220 6.400 7.243 1.00 0.15 H new ATOM 0 HG3 GLN A 93 -1.654 7.467 8.565 1.00 0.15 H new ATOM 0 HE21 GLN A 93 -2.309 4.510 6.902 1.00 0.22 H new ATOM 0 HE22 GLN A 93 -3.502 3.883 8.044 1.00 0.22 H new ATOM 715 N ARG A 94 -3.984 8.809 3.971 1.00 0.14 N ATOM 716 CA ARG A 94 -4.702 9.859 3.258 1.00 0.15 C ATOM 717 C ARG A 94 -5.487 9.288 2.080 1.00 0.14 C ATOM 718 O ARG A 94 -6.159 10.018 1.347 1.00 0.19 O ATOM 719 CB ARG A 94 -3.709 10.914 2.791 1.00 0.21 C ATOM 720 CG ARG A 94 -2.757 10.425 1.725 1.00 0.76 C ATOM 721 CD ARG A 94 -1.504 11.290 1.652 1.00 0.64 C ATOM 722 NE ARG A 94 -1.762 12.591 1.015 1.00 0.86 N ATOM 723 CZ ARG A 94 -1.168 13.740 1.354 1.00 1.04 C ATOM 724 NH1 ARG A 94 -0.378 13.809 2.410 1.00 1.60 N ATOM 725 NH2 ARG A 94 -1.371 14.835 0.635 1.00 1.40 N ATOM 0 H ARG A 94 -3.060 8.601 3.592 1.00 0.14 H new ATOM 0 HA ARG A 94 -5.424 10.318 3.933 1.00 0.15 H new ATOM 0 HB2 ARG A 94 -4.259 11.773 2.407 1.00 0.21 H new ATOM 0 HB3 ARG A 94 -3.132 11.262 3.648 1.00 0.21 H new ATOM 0 HG2 ARG A 94 -2.476 9.393 1.933 1.00 0.76 H new ATOM 0 HG3 ARG A 94 -3.260 10.429 0.758 1.00 0.76 H new ATOM 0 HD2 ARG A 94 -1.117 11.451 2.658 1.00 0.64 H new ATOM 0 HD3 ARG A 94 -0.732 10.761 1.094 1.00 0.64 H new ATOM 0 HE ARG A 94 -2.445 12.618 0.258 1.00 0.86 H new ATOM 0 HH11 ARG A 94 -0.214 12.979 2.979 1.00 1.60 H new ATOM 0 HH12 ARG A 94 0.068 14.693 2.656 1.00 1.60 H new ATOM 0 HH21 ARG A 94 -1.983 14.803 -0.181 1.00 1.40 H new ATOM 0 HH22 ARG A 94 -0.916 15.709 0.898 1.00 1.40 H new ATOM 739 N ALA A 95 -5.389 7.983 1.901 1.00 0.12 N ATOM 740 CA ALA A 95 -6.138 7.287 0.860 1.00 0.12 C ATOM 741 C ALA A 95 -7.590 7.103 1.275 1.00 0.13 C ATOM 742 O ALA A 95 -7.962 7.396 2.413 1.00 0.17 O ATOM 743 CB ALA A 95 -5.507 5.938 0.544 1.00 0.13 C ATOM 0 H ALA A 95 -4.794 7.376 2.466 1.00 0.12 H new ATOM 0 HA ALA A 95 -6.107 7.900 -0.041 1.00 0.12 H new ATOM 0 HB1 ALA A 95 -6.084 5.440 -0.235 1.00 0.13 H new ATOM 0 HB2 ALA A 95 -4.484 6.087 0.198 1.00 0.13 H new ATOM 0 HB3 ALA A 95 -5.500 5.320 1.442 1.00 0.13 H new ATOM 749 N HIS A 96 -8.415 6.639 0.344 1.00 0.12 N ATOM 750 CA HIS A 96 -9.828 6.420 0.605 1.00 0.13 C ATOM 751 C HIS A 96 -10.015 5.199 1.477 1.00 0.13 C ATOM 752 O HIS A 96 -9.623 4.101 1.100 1.00 0.12 O ATOM 753 CB HIS A 96 -10.577 6.210 -0.708 1.00 0.14 C ATOM 754 CG HIS A 96 -12.021 6.585 -0.639 1.00 0.18 C ATOM 755 ND1 HIS A 96 -12.830 6.119 0.360 1.00 0.20 N ATOM 756 CD2 HIS A 96 -12.746 7.377 -1.464 1.00 0.23 C ATOM 757 CE1 HIS A 96 -14.024 6.630 0.127 1.00 0.23 C ATOM 758 NE2 HIS A 96 -14.025 7.400 -0.969 1.00 0.25 N ATOM 0 H HIS A 96 -8.124 6.406 -0.605 1.00 0.12 H new ATOM 0 HA HIS A 96 -10.223 7.298 1.117 1.00 0.13 H new ATOM 0 HB2 HIS A 96 -10.095 6.797 -1.490 1.00 0.14 H new ATOM 0 HB3 HIS A 96 -10.496 5.163 -1.000 1.00 0.14 H new ATOM 0 HD2 HIS A 96 -12.386 7.892 -2.343 1.00 0.23 H new ATOM 0 HE1 HIS A 96 -14.892 6.450 0.743 1.00 0.23 H new ATOM 0 HE2 HIS A 96 -14.821 7.905 -1.359 1.00 0.25 H new ATOM 766 N SER A 97 -10.608 5.405 2.646 1.00 0.16 N ATOM 767 CA SER A 97 -10.895 4.324 3.572 1.00 0.20 C ATOM 768 C SER A 97 -11.678 3.195 2.896 1.00 0.18 C ATOM 769 O SER A 97 -11.466 2.026 3.201 1.00 0.18 O ATOM 770 CB SER A 97 -11.679 4.875 4.762 1.00 0.29 C ATOM 771 OG SER A 97 -11.139 6.118 5.194 1.00 1.32 O ATOM 0 H SER A 97 -10.902 6.324 2.976 1.00 0.16 H new ATOM 0 HA SER A 97 -9.950 3.904 3.915 1.00 0.20 H new ATOM 0 HB2 SER A 97 -12.725 5.005 4.485 1.00 0.29 H new ATOM 0 HB3 SER A 97 -11.654 4.158 5.583 1.00 0.29 H new ATOM 0 HG SER A 97 -11.657 6.453 5.955 1.00 1.32 H new ATOM 777 N LEU A 98 -12.589 3.547 1.986 1.00 0.18 N ATOM 778 CA LEU A 98 -13.310 2.551 1.193 1.00 0.18 C ATOM 779 C LEU A 98 -12.363 1.722 0.350 1.00 0.15 C ATOM 780 O LEU A 98 -12.512 0.514 0.231 1.00 0.18 O ATOM 781 CB LEU A 98 -14.289 3.227 0.252 1.00 0.21 C ATOM 782 CG LEU A 98 -15.603 3.681 0.867 1.00 0.28 C ATOM 783 CD1 LEU A 98 -16.514 4.202 -0.226 1.00 0.57 C ATOM 784 CD2 LEU A 98 -16.269 2.545 1.623 1.00 0.61 C ATOM 0 H LEU A 98 -12.844 4.513 1.781 1.00 0.18 H new ATOM 0 HA LEU A 98 -13.835 1.907 1.899 1.00 0.18 H new ATOM 0 HB2 LEU A 98 -13.798 4.095 -0.188 1.00 0.21 H new ATOM 0 HB3 LEU A 98 -14.512 2.539 -0.564 1.00 0.21 H new ATOM 0 HG LEU A 98 -15.404 4.480 1.581 1.00 0.28 H new ATOM 0 HD11 LEU A 98 -17.457 4.528 0.212 1.00 0.57 H new ATOM 0 HD12 LEU A 98 -16.036 5.044 -0.728 1.00 0.57 H new ATOM 0 HD13 LEU A 98 -16.705 3.409 -0.949 1.00 0.57 H new ATOM 0 HD21 LEU A 98 -17.207 2.895 2.054 1.00 0.61 H new ATOM 0 HD22 LEU A 98 -16.469 1.721 0.939 1.00 0.61 H new ATOM 0 HD23 LEU A 98 -15.609 2.203 2.420 1.00 0.61 H new ATOM 796 N PHE A 99 -11.400 2.403 -0.231 1.00 0.12 N ATOM 797 CA PHE A 99 -10.398 1.771 -1.074 1.00 0.11 C ATOM 798 C PHE A 99 -9.474 0.907 -0.230 1.00 0.11 C ATOM 799 O PHE A 99 -9.160 -0.229 -0.590 1.00 0.12 O ATOM 800 CB PHE A 99 -9.593 2.834 -1.820 1.00 0.12 C ATOM 801 CG PHE A 99 -8.320 2.310 -2.395 1.00 0.13 C ATOM 802 CD1 PHE A 99 -8.349 1.358 -3.389 1.00 0.15 C ATOM 803 CD2 PHE A 99 -7.097 2.765 -1.934 1.00 0.18 C ATOM 804 CE1 PHE A 99 -7.181 0.862 -3.925 1.00 0.18 C ATOM 805 CE2 PHE A 99 -5.924 2.277 -2.463 1.00 0.20 C ATOM 806 CZ PHE A 99 -5.963 1.321 -3.460 1.00 0.18 C ATOM 0 H PHE A 99 -11.286 3.412 -0.135 1.00 0.12 H new ATOM 0 HA PHE A 99 -10.901 1.136 -1.804 1.00 0.11 H new ATOM 0 HB2 PHE A 99 -10.204 3.247 -2.623 1.00 0.12 H new ATOM 0 HB3 PHE A 99 -9.366 3.654 -1.138 1.00 0.12 H new ATOM 0 HD1 PHE A 99 -9.299 0.996 -3.753 1.00 0.15 H new ATOM 0 HD2 PHE A 99 -7.063 3.509 -1.152 1.00 0.18 H new ATOM 0 HE1 PHE A 99 -7.217 0.117 -4.706 1.00 0.18 H new ATOM 0 HE2 PHE A 99 -4.974 2.641 -2.099 1.00 0.20 H new ATOM 0 HZ PHE A 99 -5.044 0.933 -3.875 1.00 0.18 H new ATOM 816 N LEU A 100 -9.055 1.456 0.899 1.00 0.12 N ATOM 817 CA LEU A 100 -8.230 0.735 1.853 1.00 0.14 C ATOM 818 C LEU A 100 -8.963 -0.497 2.356 1.00 0.16 C ATOM 819 O LEU A 100 -8.352 -1.481 2.742 1.00 0.21 O ATOM 820 CB LEU A 100 -7.880 1.655 3.018 1.00 0.17 C ATOM 821 CG LEU A 100 -7.243 2.974 2.610 1.00 0.17 C ATOM 822 CD1 LEU A 100 -7.291 3.966 3.755 1.00 0.21 C ATOM 823 CD2 LEU A 100 -5.822 2.735 2.163 1.00 0.22 C ATOM 0 H LEU A 100 -9.277 2.411 1.179 1.00 0.12 H new ATOM 0 HA LEU A 100 -7.312 0.412 1.363 1.00 0.14 H new ATOM 0 HB2 LEU A 100 -8.787 1.864 3.585 1.00 0.17 H new ATOM 0 HB3 LEU A 100 -7.200 1.129 3.688 1.00 0.17 H new ATOM 0 HG LEU A 100 -7.805 3.399 1.778 1.00 0.17 H new ATOM 0 HD11 LEU A 100 -6.830 4.904 3.444 1.00 0.21 H new ATOM 0 HD12 LEU A 100 -8.328 4.147 4.036 1.00 0.21 H new ATOM 0 HD13 LEU A 100 -6.749 3.562 4.610 1.00 0.21 H new ATOM 0 HD21 LEU A 100 -5.368 3.682 1.871 1.00 0.22 H new ATOM 0 HD22 LEU A 100 -5.252 2.296 2.982 1.00 0.22 H new ATOM 0 HD23 LEU A 100 -5.818 2.053 1.312 1.00 0.22 H new ATOM 835 N ALA A 101 -10.284 -0.432 2.345 1.00 0.16 N ATOM 836 CA ALA A 101 -11.104 -1.569 2.715 1.00 0.19 C ATOM 837 C ALA A 101 -11.635 -2.310 1.487 1.00 0.21 C ATOM 838 O ALA A 101 -12.423 -3.244 1.620 1.00 0.37 O ATOM 839 CB ALA A 101 -12.266 -1.116 3.590 1.00 0.23 C ATOM 0 H ALA A 101 -10.811 0.401 2.082 1.00 0.16 H new ATOM 0 HA ALA A 101 -10.474 -2.260 3.275 1.00 0.19 H new ATOM 0 HB1 ALA A 101 -12.875 -1.978 3.862 1.00 0.23 H new ATOM 0 HB2 ALA A 101 -11.879 -0.646 4.494 1.00 0.23 H new ATOM 0 HB3 ALA A 101 -12.877 -0.399 3.041 1.00 0.23 H new ATOM 845 N SER A 102 -11.191 -1.923 0.295 1.00 0.13 N ATOM 846 CA SER A 102 -11.723 -2.525 -0.920 1.00 0.15 C ATOM 847 C SER A 102 -10.811 -3.619 -1.439 1.00 0.17 C ATOM 848 O SER A 102 -9.655 -3.754 -1.026 1.00 0.25 O ATOM 849 CB SER A 102 -11.960 -1.491 -2.022 1.00 0.18 C ATOM 850 OG SER A 102 -12.825 -2.003 -3.027 1.00 1.40 O ATOM 0 H SER A 102 -10.478 -1.209 0.146 1.00 0.13 H new ATOM 0 HA SER A 102 -12.685 -2.960 -0.649 1.00 0.15 H new ATOM 0 HB2 SER A 102 -12.393 -0.588 -1.591 1.00 0.18 H new ATOM 0 HB3 SER A 102 -11.007 -1.206 -2.468 1.00 0.18 H new ATOM 0 HG SER A 102 -12.962 -1.322 -3.719 1.00 1.40 H new ATOM 856 N ALA A 103 -11.364 -4.396 -2.340 1.00 0.20 N ATOM 857 CA ALA A 103 -10.657 -5.473 -2.997 1.00 0.21 C ATOM 858 C ALA A 103 -9.420 -4.973 -3.733 1.00 0.18 C ATOM 859 O ALA A 103 -8.381 -5.631 -3.731 1.00 0.19 O ATOM 860 CB ALA A 103 -11.598 -6.130 -3.971 1.00 0.27 C ATOM 0 H ALA A 103 -12.333 -4.297 -2.643 1.00 0.20 H new ATOM 0 HA ALA A 103 -10.320 -6.184 -2.242 1.00 0.21 H new ATOM 0 HB1 ALA A 103 -11.085 -6.947 -4.479 1.00 0.27 H new ATOM 0 HB2 ALA A 103 -12.462 -6.522 -3.434 1.00 0.27 H new ATOM 0 HB3 ALA A 103 -11.930 -5.397 -4.707 1.00 0.27 H new ATOM 866 N GLU A 104 -9.541 -3.818 -4.376 1.00 0.17 N ATOM 867 CA GLU A 104 -8.458 -3.296 -5.207 1.00 0.17 C ATOM 868 C GLU A 104 -7.158 -3.142 -4.424 1.00 0.14 C ATOM 869 O GLU A 104 -6.097 -3.531 -4.906 1.00 0.14 O ATOM 870 CB GLU A 104 -8.824 -1.960 -5.818 1.00 0.22 C ATOM 871 CG GLU A 104 -8.048 -1.668 -7.087 1.00 0.30 C ATOM 872 CD GLU A 104 -8.337 -0.299 -7.672 1.00 0.97 C ATOM 873 OE1 GLU A 104 -9.514 0.121 -7.666 1.00 1.29 O ATOM 874 OE2 GLU A 104 -7.383 0.355 -8.153 1.00 1.70 O ATOM 0 H GLU A 104 -10.371 -3.227 -4.340 1.00 0.17 H new ATOM 0 HA GLU A 104 -8.305 -4.028 -6.000 1.00 0.17 H new ATOM 0 HB2 GLU A 104 -9.892 -1.945 -6.038 1.00 0.22 H new ATOM 0 HB3 GLU A 104 -8.637 -1.169 -5.092 1.00 0.22 H new ATOM 0 HG2 GLU A 104 -6.981 -1.747 -6.877 1.00 0.30 H new ATOM 0 HG3 GLU A 104 -8.284 -2.429 -7.831 1.00 0.30 H new ATOM 881 N PHE A 105 -7.230 -2.577 -3.223 1.00 0.13 N ATOM 882 CA PHE A 105 -6.035 -2.395 -2.412 1.00 0.13 C ATOM 883 C PHE A 105 -5.446 -3.751 -2.053 1.00 0.12 C ATOM 884 O PHE A 105 -4.236 -3.913 -2.047 1.00 0.13 O ATOM 885 CB PHE A 105 -6.337 -1.592 -1.141 1.00 0.13 C ATOM 886 CG PHE A 105 -5.101 -1.083 -0.455 1.00 0.12 C ATOM 887 CD1 PHE A 105 -3.977 -0.763 -1.198 1.00 0.12 C ATOM 888 CD2 PHE A 105 -5.057 -0.914 0.923 1.00 0.14 C ATOM 889 CE1 PHE A 105 -2.833 -0.288 -0.587 1.00 0.13 C ATOM 890 CE2 PHE A 105 -3.910 -0.438 1.537 1.00 0.15 C ATOM 891 CZ PHE A 105 -2.800 -0.122 0.778 1.00 0.14 C ATOM 0 H PHE A 105 -8.093 -2.241 -2.795 1.00 0.13 H new ATOM 0 HA PHE A 105 -5.310 -1.828 -2.996 1.00 0.13 H new ATOM 0 HB2 PHE A 105 -6.977 -0.747 -1.396 1.00 0.13 H new ATOM 0 HB3 PHE A 105 -6.898 -2.219 -0.448 1.00 0.13 H new ATOM 0 HD1 PHE A 105 -3.995 -0.887 -2.271 1.00 0.12 H new ATOM 0 HD2 PHE A 105 -5.924 -1.156 1.520 1.00 0.14 H new ATOM 0 HE1 PHE A 105 -1.964 -0.047 -1.181 1.00 0.13 H new ATOM 0 HE2 PHE A 105 -3.884 -0.314 2.610 1.00 0.15 H new ATOM 0 HZ PHE A 105 -1.908 0.255 1.256 1.00 0.14 H new ATOM 901 N CYS A 106 -6.314 -4.726 -1.804 1.00 0.13 N ATOM 902 CA CYS A 106 -5.874 -6.090 -1.537 1.00 0.15 C ATOM 903 C CYS A 106 -5.083 -6.607 -2.726 1.00 0.15 C ATOM 904 O CYS A 106 -3.992 -7.151 -2.586 1.00 0.16 O ATOM 905 CB CYS A 106 -7.079 -7.004 -1.274 1.00 0.19 C ATOM 906 SG CYS A 106 -6.654 -8.754 -1.117 1.00 0.29 S ATOM 0 H CYS A 106 -7.326 -4.597 -1.782 1.00 0.13 H new ATOM 0 HA CYS A 106 -5.242 -6.090 -0.649 1.00 0.15 H new ATOM 0 HB2 CYS A 106 -7.577 -6.678 -0.361 1.00 0.19 H new ATOM 0 HB3 CYS A 106 -7.796 -6.886 -2.087 1.00 0.19 H new ATOM 0 HG CYS A 106 -7.647 -9.395 -0.576 1.00 0.29 H new ATOM 912 N ASN A 107 -5.661 -6.406 -3.895 1.00 0.14 N ATOM 913 CA ASN A 107 -5.057 -6.780 -5.170 1.00 0.16 C ATOM 914 C ASN A 107 -3.670 -6.180 -5.303 1.00 0.15 C ATOM 915 O ASN A 107 -2.682 -6.879 -5.520 1.00 0.17 O ATOM 916 CB ASN A 107 -5.929 -6.244 -6.304 1.00 0.18 C ATOM 917 CG ASN A 107 -6.158 -7.254 -7.409 1.00 0.24 C ATOM 918 OD1 ASN A 107 -5.301 -8.090 -7.695 1.00 0.32 O ATOM 919 ND2 ASN A 107 -7.325 -7.182 -8.030 1.00 0.34 N ATOM 0 H ASN A 107 -6.579 -5.971 -3.992 1.00 0.14 H new ATOM 0 HA ASN A 107 -4.981 -7.866 -5.217 1.00 0.16 H new ATOM 0 HB2 ASN A 107 -6.892 -5.935 -5.898 1.00 0.18 H new ATOM 0 HB3 ASN A 107 -5.460 -5.355 -6.725 1.00 0.18 H new ATOM 0 HD21 ASN A 107 -7.545 -7.837 -8.780 1.00 0.34 H new ATOM 0 HD22 ASN A 107 -8.004 -6.472 -7.758 1.00 0.34 H new ATOM 926 N ILE A 108 -3.627 -4.872 -5.147 1.00 0.13 N ATOM 927 CA ILE A 108 -2.417 -4.087 -5.287 1.00 0.13 C ATOM 928 C ILE A 108 -1.382 -4.491 -4.249 1.00 0.11 C ATOM 929 O ILE A 108 -0.208 -4.684 -4.562 1.00 0.12 O ATOM 930 CB ILE A 108 -2.793 -2.605 -5.130 1.00 0.14 C ATOM 931 CG1 ILE A 108 -3.617 -2.161 -6.341 1.00 0.17 C ATOM 932 CG2 ILE A 108 -1.568 -1.731 -4.944 1.00 0.14 C ATOM 933 CD1 ILE A 108 -4.455 -0.929 -6.089 1.00 0.17 C ATOM 0 H ILE A 108 -4.449 -4.314 -4.915 1.00 0.13 H new ATOM 0 HA ILE A 108 -1.973 -4.261 -6.267 1.00 0.13 H new ATOM 0 HB ILE A 108 -3.395 -2.491 -4.228 1.00 0.14 H new ATOM 0 HG12 ILE A 108 -2.943 -1.967 -7.176 1.00 0.17 H new ATOM 0 HG13 ILE A 108 -4.271 -2.979 -6.643 1.00 0.17 H new ATOM 0 HG21 ILE A 108 -1.876 -0.691 -4.837 1.00 0.14 H new ATOM 0 HG22 ILE A 108 -1.030 -2.044 -4.049 1.00 0.14 H new ATOM 0 HG23 ILE A 108 -0.916 -1.829 -5.812 1.00 0.14 H new ATOM 0 HD11 ILE A 108 -5.010 -0.676 -6.992 1.00 0.17 H new ATOM 0 HD12 ILE A 108 -5.154 -1.125 -5.276 1.00 0.17 H new ATOM 0 HD13 ILE A 108 -3.806 -0.097 -5.817 1.00 0.17 H new ATOM 945 N LEU A 109 -1.855 -4.643 -3.031 1.00 0.09 N ATOM 946 CA LEU A 109 -1.032 -5.017 -1.897 1.00 0.08 C ATOM 947 C LEU A 109 -0.443 -6.402 -2.051 1.00 0.09 C ATOM 948 O LEU A 109 0.766 -6.596 -1.933 1.00 0.10 O ATOM 949 CB LEU A 109 -1.878 -4.941 -0.646 1.00 0.08 C ATOM 950 CG LEU A 109 -1.810 -3.596 0.048 1.00 0.07 C ATOM 951 CD1 LEU A 109 -2.747 -3.569 1.218 1.00 0.09 C ATOM 952 CD2 LEU A 109 -0.398 -3.309 0.499 1.00 0.07 C ATOM 0 H LEU A 109 -2.838 -4.508 -2.795 1.00 0.09 H new ATOM 0 HA LEU A 109 -0.192 -4.325 -1.833 1.00 0.08 H new ATOM 0 HB2 LEU A 109 -2.915 -5.156 -0.904 1.00 0.08 H new ATOM 0 HB3 LEU A 109 -1.556 -5.716 0.049 1.00 0.08 H new ATOM 0 HG LEU A 109 -2.112 -2.823 -0.659 1.00 0.07 H new ATOM 0 HD11 LEU A 109 -2.689 -2.597 1.708 1.00 0.09 H new ATOM 0 HD12 LEU A 109 -3.766 -3.740 0.872 1.00 0.09 H new ATOM 0 HD13 LEU A 109 -2.468 -4.350 1.926 1.00 0.09 H new ATOM 0 HD21 LEU A 109 -0.365 -2.339 0.996 1.00 0.07 H new ATOM 0 HD22 LEU A 109 -0.073 -4.084 1.193 1.00 0.07 H new ATOM 0 HD23 LEU A 109 0.265 -3.296 -0.366 1.00 0.07 H new ATOM 964 N SER A 110 -1.304 -7.355 -2.324 1.00 0.10 N ATOM 965 CA SER A 110 -0.890 -8.730 -2.503 1.00 0.12 C ATOM 966 C SER A 110 0.142 -8.825 -3.620 1.00 0.12 C ATOM 967 O SER A 110 1.103 -9.589 -3.531 1.00 0.14 O ATOM 968 CB SER A 110 -2.104 -9.600 -2.798 1.00 0.15 C ATOM 969 OG SER A 110 -1.747 -10.956 -2.996 1.00 1.15 O ATOM 0 H SER A 110 -2.307 -7.202 -2.428 1.00 0.10 H new ATOM 0 HA SER A 110 -0.426 -9.091 -1.585 1.00 0.12 H new ATOM 0 HB2 SER A 110 -2.812 -9.528 -1.972 1.00 0.15 H new ATOM 0 HB3 SER A 110 -2.612 -9.225 -3.686 1.00 0.15 H new ATOM 0 HG SER A 110 -2.552 -11.483 -3.181 1.00 1.15 H new ATOM 975 N ARG A 111 -0.059 -8.025 -4.663 1.00 0.11 N ATOM 976 CA ARG A 111 0.898 -7.923 -5.750 1.00 0.12 C ATOM 977 C ARG A 111 2.260 -7.491 -5.243 1.00 0.11 C ATOM 978 O ARG A 111 3.245 -8.213 -5.379 1.00 0.13 O ATOM 979 CB ARG A 111 0.421 -6.894 -6.765 1.00 0.16 C ATOM 980 CG ARG A 111 -0.667 -7.381 -7.685 1.00 0.26 C ATOM 981 CD ARG A 111 -0.947 -6.365 -8.780 1.00 0.99 C ATOM 982 NE ARG A 111 -1.140 -5.021 -8.231 1.00 1.81 N ATOM 983 CZ ARG A 111 -0.539 -3.925 -8.703 1.00 2.57 C ATOM 984 NH1 ARG A 111 0.203 -3.994 -9.800 1.00 2.67 N ATOM 985 NH2 ARG A 111 -0.707 -2.756 -8.093 1.00 3.55 N ATOM 0 H ARG A 111 -0.884 -7.435 -4.775 1.00 0.11 H new ATOM 0 HA ARG A 111 0.980 -8.908 -6.210 1.00 0.12 H new ATOM 0 HB2 ARG A 111 0.061 -6.015 -6.230 1.00 0.16 H new ATOM 0 HB3 ARG A 111 1.272 -6.574 -7.367 1.00 0.16 H new ATOM 0 HG2 ARG A 111 -0.373 -8.331 -8.131 1.00 0.26 H new ATOM 0 HG3 ARG A 111 -1.577 -7.565 -7.113 1.00 0.26 H new ATOM 0 HD2 ARG A 111 -0.118 -6.354 -9.488 1.00 0.99 H new ATOM 0 HD3 ARG A 111 -1.836 -6.663 -9.335 1.00 0.99 H new ATOM 0 HE ARG A 111 -1.773 -4.915 -7.438 1.00 1.81 H new ATOM 0 HH11 ARG A 111 0.315 -4.885 -10.284 1.00 2.67 H new ATOM 0 HH12 ARG A 111 0.661 -3.157 -10.159 1.00 2.67 H new ATOM 0 HH21 ARG A 111 -1.296 -2.694 -7.262 1.00 3.55 H new ATOM 0 HH22 ARG A 111 -0.247 -1.921 -8.455 1.00 3.55 H new ATOM 999 N VAL A 112 2.295 -6.328 -4.619 1.00 0.10 N ATOM 1000 CA VAL A 112 3.557 -5.690 -4.285 1.00 0.10 C ATOM 1001 C VAL A 112 4.311 -6.438 -3.215 1.00 0.11 C ATOM 1002 O VAL A 112 5.507 -6.615 -3.334 1.00 0.12 O ATOM 1003 CB VAL A 112 3.400 -4.221 -3.845 1.00 0.10 C ATOM 1004 CG1 VAL A 112 3.187 -3.328 -5.043 1.00 0.11 C ATOM 1005 CG2 VAL A 112 2.267 -4.048 -2.861 1.00 0.10 C ATOM 0 H VAL A 112 1.467 -5.806 -4.333 1.00 0.10 H new ATOM 0 HA VAL A 112 4.128 -5.712 -5.213 1.00 0.10 H new ATOM 0 HB VAL A 112 4.324 -3.932 -3.344 1.00 0.10 H new ATOM 0 HG11 VAL A 112 3.078 -2.295 -4.712 1.00 0.11 H new ATOM 0 HG12 VAL A 112 4.044 -3.406 -5.712 1.00 0.11 H new ATOM 0 HG13 VAL A 112 2.285 -3.637 -5.571 1.00 0.11 H new ATOM 0 HG21 VAL A 112 2.190 -2.999 -2.576 1.00 0.10 H new ATOM 0 HG22 VAL A 112 1.333 -4.369 -3.322 1.00 0.10 H new ATOM 0 HG23 VAL A 112 2.460 -4.652 -1.974 1.00 0.10 H new ATOM 1015 N LEU A 113 3.620 -6.873 -2.179 1.00 0.10 N ATOM 1016 CA LEU A 113 4.264 -7.590 -1.093 1.00 0.11 C ATOM 1017 C LEU A 113 4.981 -8.830 -1.591 1.00 0.12 C ATOM 1018 O LEU A 113 6.167 -9.032 -1.336 1.00 0.14 O ATOM 1019 CB LEU A 113 3.237 -7.980 -0.053 1.00 0.11 C ATOM 1020 CG LEU A 113 3.143 -6.993 1.086 1.00 0.12 C ATOM 1021 CD1 LEU A 113 2.011 -6.017 0.850 1.00 0.31 C ATOM 1022 CD2 LEU A 113 3.002 -7.711 2.410 1.00 0.28 C ATOM 0 H LEU A 113 2.615 -6.743 -2.065 1.00 0.10 H new ATOM 0 HA LEU A 113 5.006 -6.926 -0.649 1.00 0.11 H new ATOM 0 HB2 LEU A 113 2.261 -8.069 -0.530 1.00 0.11 H new ATOM 0 HB3 LEU A 113 3.488 -8.963 0.346 1.00 0.11 H new ATOM 0 HG LEU A 113 4.069 -6.419 1.128 1.00 0.12 H new ATOM 0 HD11 LEU A 113 1.958 -5.313 1.681 1.00 0.31 H new ATOM 0 HD12 LEU A 113 2.188 -5.472 -0.077 1.00 0.31 H new ATOM 0 HD13 LEU A 113 1.070 -6.562 0.776 1.00 0.31 H new ATOM 0 HD21 LEU A 113 2.936 -6.979 3.215 1.00 0.28 H new ATOM 0 HD22 LEU A 113 2.099 -8.321 2.399 1.00 0.28 H new ATOM 0 HD23 LEU A 113 3.870 -8.351 2.571 1.00 0.28 H new ATOM 1034 N SER A 114 4.236 -9.639 -2.307 1.00 0.13 N ATOM 1035 CA SER A 114 4.746 -10.883 -2.875 1.00 0.15 C ATOM 1036 C SER A 114 5.928 -10.611 -3.800 1.00 0.15 C ATOM 1037 O SER A 114 6.932 -11.327 -3.780 1.00 0.17 O ATOM 1038 CB SER A 114 3.633 -11.604 -3.636 1.00 0.17 C ATOM 1039 OG SER A 114 2.476 -11.742 -2.825 1.00 1.00 O ATOM 0 H SER A 114 3.254 -9.460 -2.518 1.00 0.13 H new ATOM 0 HA SER A 114 5.091 -11.520 -2.060 1.00 0.15 H new ATOM 0 HB2 SER A 114 3.385 -11.048 -4.540 1.00 0.17 H new ATOM 0 HB3 SER A 114 3.980 -12.588 -3.952 1.00 0.17 H new ATOM 0 HG SER A 114 1.785 -11.119 -3.132 1.00 1.00 H new ATOM 1045 N ARG A 115 5.804 -9.565 -4.600 1.00 0.13 N ATOM 1046 CA ARG A 115 6.876 -9.144 -5.480 1.00 0.14 C ATOM 1047 C ARG A 115 8.052 -8.599 -4.675 1.00 0.14 C ATOM 1048 O ARG A 115 9.205 -8.870 -4.982 1.00 0.18 O ATOM 1049 CB ARG A 115 6.357 -8.070 -6.429 1.00 0.17 C ATOM 1050 CG ARG A 115 5.344 -8.578 -7.435 1.00 0.24 C ATOM 1051 CD ARG A 115 4.775 -7.433 -8.249 1.00 0.35 C ATOM 1052 NE ARG A 115 3.797 -7.881 -9.242 1.00 0.84 N ATOM 1053 CZ ARG A 115 3.363 -7.135 -10.260 1.00 1.19 C ATOM 1054 NH1 ARG A 115 3.825 -5.902 -10.440 1.00 1.20 N ATOM 1055 NH2 ARG A 115 2.458 -7.625 -11.101 1.00 1.83 N ATOM 0 H ARG A 115 4.964 -8.989 -4.656 1.00 0.13 H new ATOM 0 HA ARG A 115 7.221 -10.005 -6.052 1.00 0.14 H new ATOM 0 HB2 ARG A 115 5.904 -7.270 -5.844 1.00 0.17 H new ATOM 0 HB3 ARG A 115 7.200 -7.634 -6.965 1.00 0.17 H new ATOM 0 HG2 ARG A 115 5.815 -9.303 -8.098 1.00 0.24 H new ATOM 0 HG3 ARG A 115 4.538 -9.097 -6.916 1.00 0.24 H new ATOM 0 HD2 ARG A 115 4.304 -6.714 -7.579 1.00 0.35 H new ATOM 0 HD3 ARG A 115 5.588 -6.912 -8.754 1.00 0.35 H new ATOM 0 HE ARG A 115 3.423 -8.825 -9.150 1.00 0.84 H new ATOM 0 HH11 ARG A 115 4.518 -5.518 -9.797 1.00 1.20 H new ATOM 0 HH12 ARG A 115 3.487 -5.340 -11.221 1.00 1.20 H new ATOM 0 HH21 ARG A 115 2.097 -8.569 -10.968 1.00 1.83 H new ATOM 0 HH22 ARG A 115 2.125 -7.057 -11.880 1.00 1.83 H new ATOM 1069 N ALA A 116 7.731 -7.837 -3.642 1.00 0.13 N ATOM 1070 CA ALA A 116 8.734 -7.149 -2.823 1.00 0.14 C ATOM 1071 C ALA A 116 9.641 -8.124 -2.088 1.00 0.16 C ATOM 1072 O ALA A 116 10.838 -7.895 -1.968 1.00 0.18 O ATOM 1073 CB ALA A 116 8.048 -6.209 -1.848 1.00 0.15 C ATOM 0 H ALA A 116 6.770 -7.674 -3.342 1.00 0.13 H new ATOM 0 HA ALA A 116 9.371 -6.570 -3.492 1.00 0.14 H new ATOM 0 HB1 ALA A 116 8.799 -5.701 -1.243 1.00 0.15 H new ATOM 0 HB2 ALA A 116 7.468 -5.471 -2.402 1.00 0.15 H new ATOM 0 HB3 ALA A 116 7.384 -6.779 -1.199 1.00 0.15 H new ATOM 1079 N ARG A 117 9.069 -9.207 -1.596 1.00 0.19 N ATOM 1080 CA ARG A 117 9.860 -10.237 -0.935 1.00 0.24 C ATOM 1081 C ARG A 117 10.810 -10.925 -1.908 1.00 0.26 C ATOM 1082 O ARG A 117 11.888 -11.386 -1.530 1.00 0.32 O ATOM 1083 CB ARG A 117 8.959 -11.265 -0.274 1.00 0.28 C ATOM 1084 CG ARG A 117 8.587 -10.892 1.140 1.00 0.61 C ATOM 1085 CD ARG A 117 7.178 -10.337 1.241 1.00 0.34 C ATOM 1086 NE ARG A 117 6.807 -10.046 2.624 1.00 1.22 N ATOM 1087 CZ ARG A 117 5.573 -10.169 3.102 1.00 1.38 C ATOM 1088 NH1 ARG A 117 4.610 -10.664 2.336 1.00 1.30 N ATOM 1089 NH2 ARG A 117 5.320 -9.829 4.360 1.00 2.33 N ATOM 0 H ARG A 117 8.068 -9.399 -1.639 1.00 0.19 H new ATOM 0 HA ARG A 117 10.459 -9.745 -0.168 1.00 0.24 H new ATOM 0 HB2 ARG A 117 8.051 -11.380 -0.866 1.00 0.28 H new ATOM 0 HB3 ARG A 117 9.461 -12.233 -0.270 1.00 0.28 H new ATOM 0 HG2 ARG A 117 8.675 -11.770 1.780 1.00 0.61 H new ATOM 0 HG3 ARG A 117 9.294 -10.152 1.515 1.00 0.61 H new ATOM 0 HD2 ARG A 117 7.102 -9.427 0.645 1.00 0.34 H new ATOM 0 HD3 ARG A 117 6.474 -11.054 0.819 1.00 0.34 H new ATOM 0 HE ARG A 117 7.539 -9.730 3.260 1.00 1.22 H new ATOM 0 HH11 ARG A 117 4.816 -10.951 1.379 1.00 1.30 H new ATOM 0 HH12 ARG A 117 3.663 -10.758 2.704 1.00 1.30 H new ATOM 0 HH21 ARG A 117 6.070 -9.476 4.954 1.00 2.33 H new ATOM 0 HH22 ARG A 117 4.375 -9.921 4.733 1.00 2.33 H new ATOM 1103 N SER A 118 10.406 -10.976 -3.162 1.00 0.26 N ATOM 1104 CA SER A 118 11.209 -11.591 -4.209 1.00 0.31 C ATOM 1105 C SER A 118 12.207 -10.591 -4.750 1.00 0.28 C ATOM 1106 O SER A 118 13.321 -10.938 -5.147 1.00 0.32 O ATOM 1107 CB SER A 118 10.317 -12.053 -5.351 1.00 0.37 C ATOM 1108 OG SER A 118 10.925 -13.092 -6.101 1.00 0.68 O ATOM 0 H SER A 118 9.517 -10.595 -3.486 1.00 0.26 H new ATOM 0 HA SER A 118 11.734 -12.446 -3.782 1.00 0.31 H new ATOM 0 HB2 SER A 118 9.365 -12.401 -4.951 1.00 0.37 H new ATOM 0 HB3 SER A 118 10.098 -11.210 -6.007 1.00 0.37 H new ATOM 0 HG SER A 118 10.325 -13.367 -6.826 1.00 0.68 H new ATOM 1114 N ARG A 119 11.788 -9.348 -4.758 1.00 0.23 N ATOM 1115 CA ARG A 119 12.563 -8.281 -5.310 1.00 0.20 C ATOM 1116 C ARG A 119 12.590 -7.080 -4.392 1.00 0.18 C ATOM 1117 O ARG A 119 11.926 -6.073 -4.637 1.00 0.17 O ATOM 1118 CB ARG A 119 11.972 -7.906 -6.643 1.00 0.25 C ATOM 1119 CG ARG A 119 12.604 -8.645 -7.784 1.00 0.33 C ATOM 1120 CD ARG A 119 13.989 -8.092 -8.064 1.00 0.33 C ATOM 1121 NE ARG A 119 14.603 -8.689 -9.244 1.00 0.55 N ATOM 1122 CZ ARG A 119 15.570 -8.107 -9.946 1.00 0.97 C ATOM 1123 NH1 ARG A 119 16.057 -6.933 -9.560 1.00 1.48 N ATOM 1124 NH2 ARG A 119 16.056 -8.703 -11.025 1.00 1.19 N ATOM 0 H ARG A 119 10.889 -9.054 -4.376 1.00 0.23 H new ATOM 0 HA ARG A 119 13.593 -8.615 -5.431 1.00 0.20 H new ATOM 0 HB2 ARG A 119 10.901 -8.110 -6.632 1.00 0.25 H new ATOM 0 HB3 ARG A 119 12.090 -6.834 -6.800 1.00 0.25 H new ATOM 0 HG2 ARG A 119 12.670 -9.707 -7.547 1.00 0.33 H new ATOM 0 HG3 ARG A 119 11.982 -8.555 -8.674 1.00 0.33 H new ATOM 0 HD2 ARG A 119 13.925 -7.012 -8.199 1.00 0.33 H new ATOM 0 HD3 ARG A 119 14.628 -8.267 -7.198 1.00 0.33 H new ATOM 0 HE ARG A 119 14.272 -9.605 -9.548 1.00 0.55 H new ATOM 0 HH11 ARG A 119 15.689 -6.478 -8.725 1.00 1.48 H new ATOM 0 HH12 ARG A 119 16.799 -6.487 -10.099 1.00 1.48 H new ATOM 0 HH21 ARG A 119 15.688 -9.608 -11.317 1.00 1.19 H new ATOM 0 HH22 ARG A 119 16.798 -8.256 -11.564 1.00 1.19 H new ATOM 1138 N PRO A 120 13.374 -7.173 -3.323 1.00 0.19 N ATOM 1139 CA PRO A 120 13.554 -6.079 -2.381 1.00 0.19 C ATOM 1140 C PRO A 120 14.320 -4.909 -2.999 1.00 0.20 C ATOM 1141 O PRO A 120 14.406 -3.831 -2.413 1.00 0.21 O ATOM 1142 CB PRO A 120 14.345 -6.730 -1.256 1.00 0.23 C ATOM 1143 CG PRO A 120 15.096 -7.807 -1.930 1.00 0.25 C ATOM 1144 CD PRO A 120 14.124 -8.368 -2.915 1.00 0.22 C ATOM 0 HA PRO A 120 12.611 -5.643 -2.053 1.00 0.19 H new ATOM 0 HB2 PRO A 120 15.014 -6.018 -0.773 1.00 0.23 H new ATOM 0 HB3 PRO A 120 13.688 -7.125 -0.482 1.00 0.23 H new ATOM 0 HG2 PRO A 120 15.987 -7.422 -2.425 1.00 0.25 H new ATOM 0 HG3 PRO A 120 15.428 -8.566 -1.221 1.00 0.25 H new ATOM 0 HD2 PRO A 120 14.626 -8.842 -3.759 1.00 0.22 H new ATOM 0 HD3 PRO A 120 13.477 -9.121 -2.465 1.00 0.22 H new ATOM 1152 N ALA A 121 14.876 -5.127 -4.191 1.00 0.20 N ATOM 1153 CA ALA A 121 15.481 -4.037 -4.951 1.00 0.22 C ATOM 1154 C ALA A 121 14.389 -3.276 -5.669 1.00 0.19 C ATOM 1155 O ALA A 121 14.446 -2.059 -5.837 1.00 0.21 O ATOM 1156 CB ALA A 121 16.490 -4.558 -5.959 1.00 0.25 C ATOM 0 H ALA A 121 14.919 -6.039 -4.646 1.00 0.20 H new ATOM 0 HA ALA A 121 16.009 -3.381 -4.259 1.00 0.22 H new ATOM 0 HB1 ALA A 121 16.922 -3.721 -6.508 1.00 0.25 H new ATOM 0 HB2 ALA A 121 17.281 -5.096 -5.437 1.00 0.25 H new ATOM 0 HB3 ALA A 121 15.993 -5.231 -6.657 1.00 0.25 H new ATOM 1162 N LYS A 122 13.385 -4.026 -6.087 1.00 0.16 N ATOM 1163 CA LYS A 122 12.227 -3.459 -6.739 1.00 0.16 C ATOM 1164 C LYS A 122 11.204 -2.998 -5.717 1.00 0.11 C ATOM 1165 O LYS A 122 10.133 -2.535 -6.080 1.00 0.11 O ATOM 1166 CB LYS A 122 11.600 -4.448 -7.704 1.00 0.20 C ATOM 1167 CG LYS A 122 12.326 -4.516 -9.030 1.00 0.27 C ATOM 1168 CD LYS A 122 11.490 -5.215 -10.078 1.00 0.41 C ATOM 1169 CE LYS A 122 10.139 -4.549 -10.255 1.00 0.79 C ATOM 1170 NZ LYS A 122 9.382 -5.127 -11.397 1.00 1.07 N ATOM 0 H LYS A 122 13.353 -5.040 -5.983 1.00 0.16 H new ATOM 0 HA LYS A 122 12.561 -2.593 -7.310 1.00 0.16 H new ATOM 0 HB2 LYS A 122 11.592 -5.438 -7.248 1.00 0.20 H new ATOM 0 HB3 LYS A 122 10.561 -4.169 -7.878 1.00 0.20 H new ATOM 0 HG2 LYS A 122 12.567 -3.508 -9.367 1.00 0.27 H new ATOM 0 HG3 LYS A 122 13.271 -5.045 -8.903 1.00 0.27 H new ATOM 0 HD2 LYS A 122 12.023 -5.214 -11.029 1.00 0.41 H new ATOM 0 HD3 LYS A 122 11.347 -6.257 -9.794 1.00 0.41 H new ATOM 0 HE2 LYS A 122 9.557 -4.660 -9.340 1.00 0.79 H new ATOM 0 HE3 LYS A 122 10.279 -3.480 -10.416 1.00 0.79 H new ATOM 0 HZ1 LYS A 122 8.465 -4.645 -11.485 1.00 1.07 H new ATOM 0 HZ2 LYS A 122 9.926 -4.999 -12.274 1.00 1.07 H new ATOM 0 HZ3 LYS A 122 9.226 -6.142 -11.232 1.00 1.07 H new ATOM 1184 N LEU A 123 11.523 -3.161 -4.438 1.00 0.10 N ATOM 1185 CA LEU A 123 10.704 -2.635 -3.361 1.00 0.08 C ATOM 1186 C LEU A 123 10.271 -1.200 -3.623 1.00 0.08 C ATOM 1187 O LEU A 123 9.114 -0.874 -3.442 1.00 0.13 O ATOM 1188 CB LEU A 123 11.475 -2.705 -2.057 1.00 0.12 C ATOM 1189 CG LEU A 123 10.719 -2.198 -0.843 1.00 0.14 C ATOM 1190 CD1 LEU A 123 9.427 -2.964 -0.661 1.00 0.12 C ATOM 1191 CD2 LEU A 123 11.577 -2.309 0.389 1.00 0.23 C ATOM 0 H LEU A 123 12.355 -3.660 -4.123 1.00 0.10 H new ATOM 0 HA LEU A 123 9.803 -3.246 -3.299 1.00 0.08 H new ATOM 0 HB2 LEU A 123 11.768 -3.740 -1.879 1.00 0.12 H new ATOM 0 HB3 LEU A 123 12.394 -2.128 -2.163 1.00 0.12 H new ATOM 0 HG LEU A 123 10.473 -1.148 -1.002 1.00 0.14 H new ATOM 0 HD11 LEU A 123 8.900 -2.585 0.215 1.00 0.12 H new ATOM 0 HD12 LEU A 123 8.801 -2.837 -1.544 1.00 0.12 H new ATOM 0 HD13 LEU A 123 9.648 -4.022 -0.522 1.00 0.12 H new ATOM 0 HD21 LEU A 123 11.023 -1.942 1.253 1.00 0.23 H new ATOM 0 HD22 LEU A 123 11.850 -3.352 0.550 1.00 0.23 H new ATOM 0 HD23 LEU A 123 12.481 -1.714 0.258 1.00 0.23 H new ATOM 1203 N TYR A 124 11.185 -0.358 -4.089 1.00 0.11 N ATOM 1204 CA TYR A 124 10.863 1.008 -4.428 1.00 0.10 C ATOM 1205 C TYR A 124 9.843 1.067 -5.542 1.00 0.11 C ATOM 1206 O TYR A 124 9.016 1.953 -5.573 1.00 0.14 O ATOM 1207 CB TYR A 124 12.131 1.747 -4.819 1.00 0.14 C ATOM 1208 CG TYR A 124 13.048 1.878 -3.652 1.00 0.57 C ATOM 1209 CD1 TYR A 124 12.497 1.996 -2.408 1.00 0.33 C ATOM 1210 CD2 TYR A 124 14.424 1.876 -3.775 1.00 1.30 C ATOM 1211 CE1 TYR A 124 13.272 2.114 -1.292 1.00 0.74 C ATOM 1212 CE2 TYR A 124 15.228 1.993 -2.662 1.00 1.74 C ATOM 1213 CZ TYR A 124 14.646 2.113 -1.415 1.00 1.45 C ATOM 1214 OH TYR A 124 15.435 2.228 -0.295 1.00 1.89 O ATOM 0 H TYR A 124 12.162 -0.608 -4.239 1.00 0.11 H new ATOM 0 HA TYR A 124 10.423 1.491 -3.556 1.00 0.10 H new ATOM 0 HB2 TYR A 124 12.635 1.213 -5.625 1.00 0.14 H new ATOM 0 HB3 TYR A 124 11.878 2.736 -5.201 1.00 0.14 H new ATOM 0 HD1 TYR A 124 11.422 1.996 -2.306 1.00 0.33 H new ATOM 0 HD2 TYR A 124 14.874 1.782 -4.752 1.00 1.30 H new ATOM 0 HE1 TYR A 124 12.813 2.208 -0.319 1.00 0.74 H new ATOM 0 HE2 TYR A 124 16.303 1.991 -2.764 1.00 1.74 H new ATOM 0 HH TYR A 124 16.379 2.209 -0.557 1.00 1.89 H new ATOM 1224 N VAL A 125 9.857 0.085 -6.418 1.00 0.10 N ATOM 1225 CA VAL A 125 8.891 0.030 -7.498 1.00 0.12 C ATOM 1226 C VAL A 125 7.514 -0.159 -6.897 1.00 0.11 C ATOM 1227 O VAL A 125 6.544 0.486 -7.269 1.00 0.14 O ATOM 1228 CB VAL A 125 9.179 -1.166 -8.418 1.00 0.15 C ATOM 1229 CG1 VAL A 125 8.211 -1.215 -9.570 1.00 0.20 C ATOM 1230 CG2 VAL A 125 10.606 -1.144 -8.914 1.00 0.18 C ATOM 0 H VAL A 125 10.525 -0.686 -6.405 1.00 0.10 H new ATOM 0 HA VAL A 125 8.950 0.952 -8.076 1.00 0.12 H new ATOM 0 HB VAL A 125 9.043 -2.073 -7.828 1.00 0.15 H new ATOM 0 HG11 VAL A 125 8.441 -2.072 -10.202 1.00 0.20 H new ATOM 0 HG12 VAL A 125 7.195 -1.309 -9.187 1.00 0.20 H new ATOM 0 HG13 VAL A 125 8.295 -0.299 -10.155 1.00 0.20 H new ATOM 0 HG21 VAL A 125 10.779 -2.003 -9.563 1.00 0.18 H new ATOM 0 HG22 VAL A 125 10.783 -0.225 -9.473 1.00 0.18 H new ATOM 0 HG23 VAL A 125 11.287 -1.188 -8.064 1.00 0.18 H new ATOM 1240 N TYR A 126 7.491 -1.055 -5.939 1.00 0.07 N ATOM 1241 CA TYR A 126 6.294 -1.467 -5.227 1.00 0.08 C ATOM 1242 C TYR A 126 5.839 -0.392 -4.250 1.00 0.08 C ATOM 1243 O TYR A 126 4.650 -0.108 -4.129 1.00 0.10 O ATOM 1244 CB TYR A 126 6.646 -2.771 -4.520 1.00 0.11 C ATOM 1245 CG TYR A 126 7.246 -3.776 -5.472 1.00 0.15 C ATOM 1246 CD1 TYR A 126 6.811 -3.865 -6.792 1.00 0.18 C ATOM 1247 CD2 TYR A 126 8.265 -4.609 -5.063 1.00 0.21 C ATOM 1248 CE1 TYR A 126 7.381 -4.763 -7.670 1.00 0.25 C ATOM 1249 CE2 TYR A 126 8.841 -5.509 -5.938 1.00 0.27 C ATOM 1250 CZ TYR A 126 8.395 -5.583 -7.237 1.00 0.28 C ATOM 1251 OH TYR A 126 8.967 -6.479 -8.111 1.00 0.36 O ATOM 0 H TYR A 126 8.331 -1.537 -5.619 1.00 0.07 H new ATOM 0 HA TYR A 126 5.457 -1.616 -5.909 1.00 0.08 H new ATOM 0 HB2 TYR A 126 7.350 -2.569 -3.713 1.00 0.11 H new ATOM 0 HB3 TYR A 126 5.750 -3.191 -4.064 1.00 0.11 H new ATOM 0 HD1 TYR A 126 6.015 -3.220 -7.134 1.00 0.18 H new ATOM 0 HD2 TYR A 126 8.618 -4.557 -4.044 1.00 0.21 H new ATOM 0 HE1 TYR A 126 7.033 -4.821 -8.691 1.00 0.25 H new ATOM 0 HE2 TYR A 126 9.640 -6.154 -5.603 1.00 0.27 H new ATOM 0 HH TYR A 126 8.395 -6.576 -8.901 1.00 0.36 H new ATOM 1261 N ILE A 127 6.797 0.201 -3.559 1.00 0.08 N ATOM 1262 CA ILE A 127 6.552 1.339 -2.691 1.00 0.11 C ATOM 1263 C ILE A 127 5.989 2.491 -3.498 1.00 0.12 C ATOM 1264 O ILE A 127 4.957 3.067 -3.156 1.00 0.14 O ATOM 1265 CB ILE A 127 7.863 1.783 -2.020 1.00 0.11 C ATOM 1266 CG1 ILE A 127 8.339 0.720 -1.050 1.00 0.12 C ATOM 1267 CG2 ILE A 127 7.707 3.109 -1.304 1.00 0.12 C ATOM 1268 CD1 ILE A 127 9.789 0.879 -0.683 1.00 0.13 C ATOM 0 H ILE A 127 7.773 -0.096 -3.585 1.00 0.08 H new ATOM 0 HA ILE A 127 5.835 1.046 -1.924 1.00 0.11 H new ATOM 0 HB ILE A 127 8.607 1.916 -2.805 1.00 0.11 H new ATOM 0 HG12 ILE A 127 7.732 0.761 -0.145 1.00 0.12 H new ATOM 0 HG13 ILE A 127 8.186 -0.265 -1.492 1.00 0.12 H new ATOM 0 HG21 ILE A 127 8.655 3.387 -0.843 1.00 0.12 H new ATOM 0 HG22 ILE A 127 7.412 3.876 -2.020 1.00 0.12 H new ATOM 0 HG23 ILE A 127 6.942 3.018 -0.533 1.00 0.12 H new ATOM 0 HD11 ILE A 127 10.076 0.092 0.014 1.00 0.13 H new ATOM 0 HD12 ILE A 127 10.402 0.810 -1.582 1.00 0.13 H new ATOM 0 HD13 ILE A 127 9.941 1.851 -0.214 1.00 0.13 H new ATOM 1280 N ASN A 128 6.681 2.815 -4.580 1.00 0.12 N ATOM 1281 CA ASN A 128 6.226 3.872 -5.481 1.00 0.15 C ATOM 1282 C ASN A 128 4.872 3.510 -6.082 1.00 0.12 C ATOM 1283 O ASN A 128 4.015 4.377 -6.250 1.00 0.12 O ATOM 1284 CB ASN A 128 7.229 4.141 -6.609 1.00 0.20 C ATOM 1285 CG ASN A 128 8.550 4.759 -6.159 1.00 0.30 C ATOM 1286 OD1 ASN A 128 8.964 4.506 -4.923 1.00 0.82 O flip ATOM 1287 ND2 ASN A 128 9.191 5.481 -6.921 1.00 0.42 N flip ATOM 0 H ASN A 128 7.554 2.367 -4.857 1.00 0.12 H new ATOM 0 HA ASN A 128 6.136 4.781 -4.887 1.00 0.15 H new ATOM 0 HB2 ASN A 128 7.439 3.202 -7.120 1.00 0.20 H new ATOM 0 HB3 ASN A 128 6.764 4.804 -7.339 1.00 0.20 H new ATOM 0 HD21 ASN A 128 8.848 5.658 -7.865 1.00 0.42 H new ATOM 0 HD22 ASN A 128 10.065 5.903 -6.609 1.00 0.42 H new ATOM 1294 N GLU A 129 4.690 2.230 -6.414 1.00 0.11 N ATOM 1295 CA GLU A 129 3.415 1.732 -6.914 1.00 0.10 C ATOM 1296 C GLU A 129 2.296 2.026 -5.947 1.00 0.09 C ATOM 1297 O GLU A 129 1.340 2.712 -6.277 1.00 0.14 O ATOM 1298 CB GLU A 129 3.469 0.233 -7.118 1.00 0.14 C ATOM 1299 CG GLU A 129 2.884 -0.204 -8.432 1.00 0.26 C ATOM 1300 CD GLU A 129 1.499 0.339 -8.723 1.00 1.41 C ATOM 1301 OE1 GLU A 129 1.383 1.517 -9.117 1.00 2.29 O ATOM 1302 OE2 GLU A 129 0.523 -0.435 -8.607 1.00 1.55 O ATOM 0 H GLU A 129 5.417 1.518 -6.343 1.00 0.11 H new ATOM 0 HA GLU A 129 3.227 2.238 -7.861 1.00 0.10 H new ATOM 0 HB2 GLU A 129 4.506 -0.099 -7.060 1.00 0.14 H new ATOM 0 HB3 GLU A 129 2.932 -0.258 -6.307 1.00 0.14 H new ATOM 0 HG2 GLU A 129 3.556 0.104 -9.233 1.00 0.26 H new ATOM 0 HG3 GLU A 129 2.843 -1.293 -8.451 1.00 0.26 H new ATOM 1309 N LEU A 130 2.449 1.507 -4.747 1.00 0.07 N ATOM 1310 CA LEU A 130 1.444 1.635 -3.716 1.00 0.08 C ATOM 1311 C LEU A 130 1.194 3.104 -3.431 1.00 0.09 C ATOM 1312 O LEU A 130 0.059 3.523 -3.255 1.00 0.10 O ATOM 1313 CB LEU A 130 1.895 0.914 -2.456 1.00 0.08 C ATOM 1314 CG LEU A 130 0.762 0.335 -1.614 1.00 0.09 C ATOM 1315 CD1 LEU A 130 0.051 -0.780 -2.359 1.00 0.10 C ATOM 1316 CD2 LEU A 130 1.301 -0.174 -0.296 1.00 0.08 C ATOM 0 H LEU A 130 3.276 0.984 -4.460 1.00 0.07 H new ATOM 0 HA LEU A 130 0.514 1.179 -4.057 1.00 0.08 H new ATOM 0 HB2 LEU A 130 2.570 0.106 -2.738 1.00 0.08 H new ATOM 0 HB3 LEU A 130 2.468 1.608 -1.842 1.00 0.08 H new ATOM 0 HG LEU A 130 0.040 1.127 -1.418 1.00 0.09 H new ATOM 0 HD11 LEU A 130 -0.753 -1.177 -1.739 1.00 0.10 H new ATOM 0 HD12 LEU A 130 -0.366 -0.389 -3.287 1.00 0.10 H new ATOM 0 HD13 LEU A 130 0.760 -1.576 -2.587 1.00 0.10 H new ATOM 0 HD21 LEU A 130 0.484 -0.585 0.297 1.00 0.08 H new ATOM 0 HD22 LEU A 130 2.042 -0.952 -0.482 1.00 0.08 H new ATOM 0 HD23 LEU A 130 1.767 0.648 0.248 1.00 0.08 H new ATOM 1328 N CYS A 131 2.264 3.890 -3.426 1.00 0.11 N ATOM 1329 CA CYS A 131 2.153 5.332 -3.267 1.00 0.13 C ATOM 1330 C CYS A 131 1.313 5.927 -4.397 1.00 0.13 C ATOM 1331 O CYS A 131 0.440 6.755 -4.165 1.00 0.14 O ATOM 1332 CB CYS A 131 3.542 5.977 -3.250 1.00 0.18 C ATOM 1333 SG CYS A 131 3.524 7.784 -3.279 1.00 1.39 S ATOM 0 H CYS A 131 3.220 3.550 -3.531 1.00 0.11 H new ATOM 0 HA CYS A 131 1.661 5.537 -2.316 1.00 0.13 H new ATOM 0 HB2 CYS A 131 4.073 5.645 -2.358 1.00 0.18 H new ATOM 0 HB3 CYS A 131 4.107 5.617 -4.110 1.00 0.18 H new ATOM 0 HG CYS A 131 4.228 8.241 -2.286 1.00 1.39 H new ATOM 1339 N THR A 132 1.580 5.484 -5.616 1.00 0.12 N ATOM 1340 CA THR A 132 0.828 5.934 -6.785 1.00 0.14 C ATOM 1341 C THR A 132 -0.625 5.489 -6.669 1.00 0.11 C ATOM 1342 O THR A 132 -1.546 6.260 -6.894 1.00 0.15 O ATOM 1343 CB THR A 132 1.444 5.384 -8.088 1.00 0.17 C ATOM 1344 OG1 THR A 132 2.800 5.833 -8.209 1.00 0.20 O ATOM 1345 CG2 THR A 132 0.653 5.830 -9.307 1.00 0.24 C ATOM 0 H THR A 132 2.316 4.809 -5.826 1.00 0.12 H new ATOM 0 HA THR A 132 0.873 7.022 -6.821 1.00 0.14 H new ATOM 0 HB THR A 132 1.414 4.295 -8.041 1.00 0.17 H new ATOM 0 HG1 THR A 132 3.373 5.309 -7.611 1.00 0.20 H new ATOM 0 HG21 THR A 132 1.114 5.425 -10.208 1.00 0.24 H new ATOM 0 HG22 THR A 132 -0.372 5.466 -9.229 1.00 0.24 H new ATOM 0 HG23 THR A 132 0.649 6.919 -9.360 1.00 0.24 H new ATOM 1353 N VAL A 133 -0.794 4.231 -6.314 1.00 0.09 N ATOM 1354 CA VAL A 133 -2.082 3.647 -5.985 1.00 0.07 C ATOM 1355 C VAL A 133 -2.859 4.495 -4.980 1.00 0.07 C ATOM 1356 O VAL A 133 -4.042 4.790 -5.162 1.00 0.08 O ATOM 1357 CB VAL A 133 -1.842 2.247 -5.402 1.00 0.07 C ATOM 1358 CG1 VAL A 133 -3.042 1.734 -4.639 1.00 0.08 C ATOM 1359 CG2 VAL A 133 -1.455 1.283 -6.504 1.00 0.10 C ATOM 0 H VAL A 133 -0.021 3.569 -6.244 1.00 0.09 H new ATOM 0 HA VAL A 133 -2.681 3.596 -6.894 1.00 0.07 H new ATOM 0 HB VAL A 133 -1.021 2.323 -4.689 1.00 0.07 H new ATOM 0 HG11 VAL A 133 -2.825 0.741 -4.245 1.00 0.08 H new ATOM 0 HG12 VAL A 133 -3.265 2.411 -3.814 1.00 0.08 H new ATOM 0 HG13 VAL A 133 -3.902 1.680 -5.307 1.00 0.08 H new ATOM 0 HG21 VAL A 133 -1.287 0.293 -6.079 1.00 0.10 H new ATOM 0 HG22 VAL A 133 -2.257 1.231 -7.240 1.00 0.10 H new ATOM 0 HG23 VAL A 133 -0.542 1.630 -6.987 1.00 0.10 H new ATOM 1369 N LEU A 134 -2.173 4.882 -3.927 1.00 0.10 N ATOM 1370 CA LEU A 134 -2.763 5.655 -2.847 1.00 0.11 C ATOM 1371 C LEU A 134 -2.978 7.103 -3.272 1.00 0.14 C ATOM 1372 O LEU A 134 -3.870 7.790 -2.774 1.00 0.18 O ATOM 1373 CB LEU A 134 -1.847 5.550 -1.632 1.00 0.12 C ATOM 1374 CG LEU A 134 -1.694 4.122 -1.098 1.00 0.12 C ATOM 1375 CD1 LEU A 134 -0.578 4.039 -0.077 1.00 0.17 C ATOM 1376 CD2 LEU A 134 -3.005 3.625 -0.512 1.00 0.16 C ATOM 0 H LEU A 134 -1.184 4.670 -3.792 1.00 0.10 H new ATOM 0 HA LEU A 134 -3.746 5.259 -2.591 1.00 0.11 H new ATOM 0 HB2 LEU A 134 -0.863 5.937 -1.895 1.00 0.12 H new ATOM 0 HB3 LEU A 134 -2.238 6.186 -0.837 1.00 0.12 H new ATOM 0 HG LEU A 134 -1.428 3.475 -1.934 1.00 0.12 H new ATOM 0 HD11 LEU A 134 -0.492 3.015 0.285 1.00 0.17 H new ATOM 0 HD12 LEU A 134 0.362 4.341 -0.540 1.00 0.17 H new ATOM 0 HD13 LEU A 134 -0.800 4.702 0.759 1.00 0.17 H new ATOM 0 HD21 LEU A 134 -2.875 2.609 -0.139 1.00 0.16 H new ATOM 0 HD22 LEU A 134 -3.308 4.277 0.307 1.00 0.16 H new ATOM 0 HD23 LEU A 134 -3.774 3.632 -1.284 1.00 0.16 H new ATOM 1388 N LYS A 135 -2.142 7.556 -4.193 1.00 0.14 N ATOM 1389 CA LYS A 135 -2.292 8.838 -4.825 1.00 0.17 C ATOM 1390 C LYS A 135 -3.518 8.797 -5.719 1.00 0.15 C ATOM 1391 O LYS A 135 -4.241 9.781 -5.868 1.00 0.18 O ATOM 1392 CB LYS A 135 -1.046 9.124 -5.665 1.00 0.23 C ATOM 1393 CG LYS A 135 -0.544 10.541 -5.557 1.00 0.56 C ATOM 1394 CD LYS A 135 -1.621 11.529 -5.943 1.00 0.68 C ATOM 1395 CE LYS A 135 -1.989 11.422 -7.417 1.00 1.32 C ATOM 1396 NZ LYS A 135 -0.849 11.729 -8.321 1.00 1.82 N ATOM 0 H LYS A 135 -1.332 7.029 -4.520 1.00 0.14 H new ATOM 0 HA LYS A 135 -2.411 9.622 -4.077 1.00 0.17 H new ATOM 0 HB2 LYS A 135 -0.251 8.444 -5.360 1.00 0.23 H new ATOM 0 HB3 LYS A 135 -1.267 8.907 -6.710 1.00 0.23 H new ATOM 0 HG2 LYS A 135 -0.215 10.737 -4.537 1.00 0.56 H new ATOM 0 HG3 LYS A 135 0.324 10.673 -6.203 1.00 0.56 H new ATOM 0 HD2 LYS A 135 -2.508 11.355 -5.334 1.00 0.68 H new ATOM 0 HD3 LYS A 135 -1.279 12.541 -5.727 1.00 0.68 H new ATOM 0 HE2 LYS A 135 -2.350 10.414 -7.624 1.00 1.32 H new ATOM 0 HE3 LYS A 135 -2.811 12.105 -7.632 1.00 1.32 H new ATOM 0 HZ1 LYS A 135 -1.200 11.858 -9.291 1.00 1.82 H new ATOM 0 HZ2 LYS A 135 -0.380 12.601 -8.004 1.00 1.82 H new ATOM 0 HZ3 LYS A 135 -0.168 10.943 -8.301 1.00 1.82 H new ATOM 1410 N ALA A 136 -3.754 7.625 -6.273 1.00 0.13 N ATOM 1411 CA ALA A 136 -4.797 7.422 -7.239 1.00 0.14 C ATOM 1412 C ALA A 136 -6.152 7.337 -6.563 1.00 0.16 C ATOM 1413 O ALA A 136 -7.152 7.835 -7.078 1.00 0.21 O ATOM 1414 CB ALA A 136 -4.515 6.140 -8.003 1.00 0.17 C ATOM 0 H ALA A 136 -3.219 6.784 -6.059 1.00 0.13 H new ATOM 0 HA ALA A 136 -4.818 8.268 -7.925 1.00 0.14 H new ATOM 0 HB1 ALA A 136 -5.301 5.975 -8.740 1.00 0.17 H new ATOM 0 HB2 ALA A 136 -3.554 6.223 -8.510 1.00 0.17 H new ATOM 0 HB3 ALA A 136 -4.488 5.301 -7.308 1.00 0.17 H new ATOM 1420 N HIS A 137 -6.174 6.704 -5.401 1.00 0.18 N ATOM 1421 CA HIS A 137 -7.422 6.398 -4.724 1.00 0.23 C ATOM 1422 C HIS A 137 -7.446 7.007 -3.331 1.00 0.24 C ATOM 1423 O HIS A 137 -7.776 6.343 -2.349 1.00 0.25 O ATOM 1424 CB HIS A 137 -7.607 4.885 -4.642 1.00 0.24 C ATOM 1425 CG HIS A 137 -7.414 4.192 -5.956 1.00 0.26 C ATOM 1426 ND1 HIS A 137 -7.965 4.639 -7.130 1.00 0.29 N ATOM 1427 CD2 HIS A 137 -6.685 3.103 -6.280 1.00 0.30 C ATOM 1428 CE1 HIS A 137 -7.583 3.858 -8.117 1.00 0.32 C ATOM 1429 NE2 HIS A 137 -6.808 2.907 -7.631 1.00 0.34 N ATOM 0 H HIS A 137 -5.338 6.392 -4.906 1.00 0.18 H new ATOM 0 HA HIS A 137 -8.243 6.830 -5.297 1.00 0.23 H new ATOM 0 HB2 HIS A 137 -6.901 4.478 -3.918 1.00 0.24 H new ATOM 0 HB3 HIS A 137 -8.608 4.668 -4.268 1.00 0.24 H new ATOM 0 HD2 HIS A 137 -6.109 2.496 -5.598 1.00 0.30 H new ATOM 0 HE1 HIS A 137 -7.858 3.976 -9.155 1.00 0.32 H new ATOM 0 HE2 HIS A 137 -6.375 2.156 -8.168 1.00 0.34 H new ATOM 1438 N SER A 138 -7.068 8.266 -3.255 1.00 0.26 N ATOM 1439 CA SER A 138 -7.138 9.018 -2.026 1.00 0.30 C ATOM 1440 C SER A 138 -8.554 9.552 -1.821 1.00 0.36 C ATOM 1441 O SER A 138 -9.235 9.904 -2.784 1.00 0.56 O ATOM 1442 CB SER A 138 -6.125 10.152 -2.111 1.00 0.40 C ATOM 1443 OG SER A 138 -5.971 10.577 -3.455 1.00 1.23 O ATOM 0 H SER A 138 -6.703 8.795 -4.047 1.00 0.26 H new ATOM 0 HA SER A 138 -6.902 8.385 -1.171 1.00 0.30 H new ATOM 0 HB2 SER A 138 -6.453 10.988 -1.494 1.00 0.40 H new ATOM 0 HB3 SER A 138 -5.165 9.821 -1.715 1.00 0.40 H new ATOM 0 HG SER A 138 -5.261 10.055 -3.884 1.00 1.23 H new ATOM 1449 N ALA A 139 -9.001 9.599 -0.571 1.00 0.26 N ATOM 1450 CA ALA A 139 -10.357 10.033 -0.264 1.00 0.34 C ATOM 1451 C ALA A 139 -10.490 11.539 -0.443 1.00 0.72 C ATOM 1452 O ALA A 139 -11.326 12.008 -1.213 1.00 1.10 O ATOM 1453 CB ALA A 139 -10.726 9.620 1.149 1.00 0.26 C ATOM 0 H ALA A 139 -8.444 9.342 0.244 1.00 0.26 H new ATOM 0 HA ALA A 139 -11.047 9.551 -0.957 1.00 0.34 H new ATOM 0 HB1 ALA A 139 -11.741 9.948 1.371 1.00 0.26 H new ATOM 0 HB2 ALA A 139 -10.668 8.535 1.238 1.00 0.26 H new ATOM 0 HB3 ALA A 139 -10.034 10.079 1.855 1.00 0.26 H new ATOM 1459 N LYS A 140 -9.655 12.295 0.253 1.00 1.04 N ATOM 1460 CA LYS A 140 -9.646 13.737 0.101 1.00 1.45 C ATOM 1461 C LYS A 140 -8.260 14.194 -0.326 1.00 1.34 C ATOM 1462 O LYS A 140 -7.402 14.495 0.503 1.00 1.80 O ATOM 1463 CB LYS A 140 -10.072 14.435 1.392 1.00 2.25 C ATOM 1464 CG LYS A 140 -10.224 15.939 1.228 1.00 3.01 C ATOM 1465 CD LYS A 140 -11.016 16.549 2.367 1.00 3.61 C ATOM 1466 CE LYS A 140 -10.276 16.448 3.690 1.00 4.40 C ATOM 1467 NZ LYS A 140 -9.012 17.230 3.697 1.00 4.94 N ATOM 0 H LYS A 140 -8.978 11.934 0.925 1.00 1.04 H new ATOM 0 HA LYS A 140 -10.367 14.010 -0.669 1.00 1.45 H new ATOM 0 HB2 LYS A 140 -11.018 14.014 1.732 1.00 2.25 H new ATOM 0 HB3 LYS A 140 -9.335 14.232 2.169 1.00 2.25 H new ATOM 0 HG2 LYS A 140 -9.238 16.402 1.181 1.00 3.01 H new ATOM 0 HG3 LYS A 140 -10.722 16.154 0.282 1.00 3.01 H new ATOM 0 HD2 LYS A 140 -11.222 17.596 2.146 1.00 3.61 H new ATOM 0 HD3 LYS A 140 -11.979 16.045 2.450 1.00 3.61 H new ATOM 0 HE2 LYS A 140 -10.923 16.802 4.492 1.00 4.40 H new ATOM 0 HE3 LYS A 140 -10.053 15.402 3.899 1.00 4.40 H new ATOM 0 HZ1 LYS A 140 -8.660 17.312 4.672 1.00 4.94 H new ATOM 0 HZ2 LYS A 140 -8.301 16.747 3.111 1.00 4.94 H new ATOM 0 HZ3 LYS A 140 -9.189 18.180 3.312 1.00 4.94 H new ATOM 1481 N LYS A 141 -8.040 14.195 -1.626 1.00 1.51 N ATOM 1482 CA LYS A 141 -6.767 14.590 -2.190 1.00 2.10 C ATOM 1483 C LYS A 141 -6.776 16.098 -2.487 1.00 2.90 C ATOM 1484 O LYS A 141 -7.600 16.842 -1.956 1.00 3.44 O ATOM 1485 CB LYS A 141 -6.517 13.761 -3.464 1.00 2.17 C ATOM 1486 CG LYS A 141 -5.088 13.817 -3.994 1.00 2.04 C ATOM 1487 CD LYS A 141 -4.863 12.859 -5.156 1.00 2.31 C ATOM 1488 CE LYS A 141 -5.934 12.971 -6.236 1.00 3.03 C ATOM 1489 NZ LYS A 141 -5.982 14.320 -6.862 1.00 3.84 N ATOM 0 H LYS A 141 -8.738 13.923 -2.319 1.00 1.51 H new ATOM 0 HA LYS A 141 -5.958 14.400 -1.485 1.00 2.10 H new ATOM 0 HB2 LYS A 141 -6.773 12.721 -3.260 1.00 2.17 H new ATOM 0 HB3 LYS A 141 -7.193 14.109 -4.245 1.00 2.17 H new ATOM 0 HG2 LYS A 141 -4.862 14.834 -4.316 1.00 2.04 H new ATOM 0 HG3 LYS A 141 -4.395 13.576 -3.188 1.00 2.04 H new ATOM 0 HD2 LYS A 141 -3.887 13.056 -5.598 1.00 2.31 H new ATOM 0 HD3 LYS A 141 -4.841 11.837 -4.778 1.00 2.31 H new ATOM 0 HE2 LYS A 141 -5.746 12.224 -7.007 1.00 3.03 H new ATOM 0 HE3 LYS A 141 -6.907 12.742 -5.802 1.00 3.03 H new ATOM 0 HZ1 LYS A 141 -6.738 14.345 -7.576 1.00 3.84 H new ATOM 0 HZ2 LYS A 141 -6.172 15.035 -6.131 1.00 3.84 H new ATOM 0 HZ3 LYS A 141 -5.069 14.524 -7.317 1.00 3.84 H new ATOM 1503 N LYS A 142 -5.873 16.519 -3.356 1.00 3.43 N ATOM 1504 CA LYS A 142 -5.684 17.917 -3.736 1.00 4.37 C ATOM 1505 C LYS A 142 -4.987 17.897 -5.079 1.00 4.96 C ATOM 1506 O LYS A 142 -5.257 18.694 -5.971 1.00 5.45 O ATOM 1507 CB LYS A 142 -4.796 18.700 -2.748 1.00 5.00 C ATOM 1508 CG LYS A 142 -5.204 18.621 -1.300 1.00 5.31 C ATOM 1509 CD LYS A 142 -4.266 17.737 -0.492 1.00 5.43 C ATOM 1510 CE LYS A 142 -3.214 18.557 0.249 1.00 6.16 C ATOM 1511 NZ LYS A 142 -2.353 19.357 -0.666 1.00 6.56 N ATOM 0 H LYS A 142 -5.232 15.884 -3.832 1.00 3.43 H new ATOM 0 HA LYS A 142 -6.655 18.412 -3.750 1.00 4.37 H new ATOM 0 HB2 LYS A 142 -3.773 18.334 -2.839 1.00 5.00 H new ATOM 0 HB3 LYS A 142 -4.788 19.748 -3.048 1.00 5.00 H new ATOM 0 HG2 LYS A 142 -5.217 19.623 -0.872 1.00 5.31 H new ATOM 0 HG3 LYS A 142 -6.220 18.231 -1.230 1.00 5.31 H new ATOM 0 HD2 LYS A 142 -4.844 17.154 0.225 1.00 5.43 H new ATOM 0 HD3 LYS A 142 -3.773 17.028 -1.156 1.00 5.43 H new ATOM 0 HE2 LYS A 142 -3.711 19.227 0.951 1.00 6.16 H new ATOM 0 HE3 LYS A 142 -2.587 17.887 0.837 1.00 6.16 H new ATOM 0 HZ1 LYS A 142 -1.473 19.616 -0.177 1.00 6.56 H new ATOM 0 HZ2 LYS A 142 -2.127 18.794 -1.511 1.00 6.56 H new ATOM 0 HZ3 LYS A 142 -2.857 20.221 -0.951 1.00 6.56 H new ATOM 1525 N LEU A 143 -4.103 16.912 -5.182 1.00 5.33 N ATOM 1526 CA LEU A 143 -3.229 16.672 -6.304 1.00 6.23 C ATOM 1527 C LEU A 143 -2.172 15.715 -5.782 1.00 7.01 C ATOM 1528 O LEU A 143 -1.718 14.798 -6.464 1.00 7.76 O ATOM 1529 CB LEU A 143 -2.563 17.948 -6.806 1.00 6.61 C ATOM 1530 CG LEU A 143 -1.558 17.712 -7.917 1.00 6.79 C ATOM 1531 CD1 LEU A 143 -2.257 17.249 -9.184 1.00 7.64 C ATOM 1532 CD2 LEU A 143 -0.735 18.958 -8.180 1.00 6.92 C ATOM 0 H LEU A 143 -3.976 16.225 -4.438 1.00 5.33 H new ATOM 0 HA LEU A 143 -3.791 16.274 -7.149 1.00 6.23 H new ATOM 0 HB2 LEU A 143 -3.332 18.633 -7.163 1.00 6.61 H new ATOM 0 HB3 LEU A 143 -2.061 18.438 -5.972 1.00 6.61 H new ATOM 0 HG LEU A 143 -0.878 16.923 -7.595 1.00 6.79 H new ATOM 0 HD11 LEU A 143 -1.518 17.086 -9.968 1.00 7.64 H new ATOM 0 HD12 LEU A 143 -2.789 16.318 -8.987 1.00 7.64 H new ATOM 0 HD13 LEU A 143 -2.967 18.011 -9.507 1.00 7.64 H new ATOM 0 HD21 LEU A 143 -0.022 18.761 -8.981 1.00 6.92 H new ATOM 0 HD22 LEU A 143 -1.395 19.774 -8.474 1.00 6.92 H new ATOM 0 HD23 LEU A 143 -0.195 19.235 -7.274 1.00 6.92 H new ATOM 1544 N ASN A 144 -1.848 15.950 -4.516 1.00 7.08 N ATOM 1545 CA ASN A 144 -0.961 15.093 -3.752 1.00 8.03 C ATOM 1546 C ASN A 144 -1.744 14.386 -2.645 1.00 8.20 C ATOM 1547 O ASN A 144 -1.782 13.141 -2.647 1.00 8.61 O ATOM 1548 CB ASN A 144 0.223 15.882 -3.170 1.00 8.72 C ATOM 1549 CG ASN A 144 -0.185 17.049 -2.290 1.00 9.25 C ATOM 1550 OD1 ASN A 144 -1.206 17.704 -2.517 1.00 9.46 O ATOM 1551 ND2 ASN A 144 0.616 17.315 -1.272 1.00 9.73 N ATOM 1552 OXT ASN A 144 -2.359 15.078 -1.809 1.00 8.17 O ATOM 0 H ASN A 144 -2.199 16.750 -3.989 1.00 7.08 H new ATOM 0 HA ASN A 144 -0.548 14.342 -4.426 1.00 8.03 H new ATOM 0 HB2 ASN A 144 0.848 15.204 -2.589 1.00 8.72 H new ATOM 0 HB3 ASN A 144 0.835 16.256 -3.990 1.00 8.72 H new ATOM 0 HD21 ASN A 144 0.399 18.086 -0.640 1.00 9.73 H new ATOM 0 HD22 ASN A 144 1.451 16.749 -1.119 1.00 9.73 H new TER 1559 ASN A 144