USER MOD reduce.3.24.130724 H: found=0, std=0, add=689, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 690 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 14 LYS NZ :NH3+ -123:sc= -4.35! (180deg=0) USER MOD Set 1.2: A 53 HIS : no HD1:sc= -6.6! C(o=-11!,f=-6.9!) USER MOD Single : A 12 LYS NZ :NH3+ -115:sc= -0.516 (180deg=-0.925) USER MOD Single : A 20 SER OG : rot -99:sc= 0.139 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= -2.17! C(o=-2.2!,f=-5.7!) USER MOD Single : A 36 THR OG1 : rot 21:sc= 1.15 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 155:sc= -0.0928 (180deg=-0.778) USER MOD Single : A 50 ASN : amide:sc= -11.2! C(o=-11!,f=-10!) USER MOD Single : A 57 THR OG1 : rot -66:sc= 0.91 USER MOD Single : A 59 LYS NZ :NH3+ -124:sc= -4.72! (180deg=-8.16!) USER MOD Single : A 60 LYS NZ :NH3+ 154:sc= 0.0392 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= -0.226 X(o=-0.23,f=-0.59!) USER MOD Single : A 65 LYS NZ :NH3+ -106:sc= -1.61 (180deg=-4.13!) USER MOD Single : A 68 SER OG : rot 180:sc= -0.416 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ -179:sc= -7.94! (180deg=-7.98!) USER MOD Single : A 79 SER OG : rot -56:sc= -1.29! USER MOD Single : A 80 ASN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0.00794 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 MET CE :methyl -120:sc= -1.81 (180deg=-7.01!) USER MOD Single : A 86 LYS NZ :NH3+ 177:sc= -4.09! (180deg=-4.14!) USER MOD ----------------------------------------------------------------- ATOM 46 N GLU A 5 -11.962 1.583 -5.329 1.00 1.58 N ATOM 47 CA GLU A 5 -12.239 0.215 -4.803 1.00 1.64 C ATOM 48 C GLU A 5 -10.954 -0.372 -4.223 1.00 1.26 C ATOM 49 O GLU A 5 -9.877 -0.112 -4.713 1.00 1.71 O ATOM 50 CB GLU A 5 -12.743 -0.670 -5.944 1.00 2.56 C ATOM 51 CG GLU A 5 -14.028 -0.074 -6.518 1.00 3.25 C ATOM 52 CD GLU A 5 -14.582 -0.998 -7.605 1.00 4.18 C ATOM 53 OE1 GLU A 5 -13.886 -1.929 -7.973 1.00 4.72 O ATOM 54 OE2 GLU A 5 -15.692 -0.757 -8.050 1.00 4.68 O ATOM 0 HA GLU A 5 -12.997 0.265 -4.022 1.00 1.64 H new ATOM 0 HB2 GLU A 5 -11.984 -0.745 -6.723 1.00 2.56 H new ATOM 0 HB3 GLU A 5 -12.928 -1.681 -5.581 1.00 2.56 H new ATOM 0 HG2 GLU A 5 -14.766 0.056 -5.726 1.00 3.25 H new ATOM 0 HG3 GLU A 5 -13.829 0.914 -6.933 1.00 3.25 H new ATOM 61 N VAL A 6 -11.052 -1.203 -3.224 1.00 1.37 N ATOM 62 CA VAL A 6 -9.844 -1.840 -2.656 1.00 1.13 C ATOM 63 C VAL A 6 -9.234 -2.706 -3.743 1.00 0.99 C ATOM 64 O VAL A 6 -9.769 -2.808 -4.826 1.00 1.03 O ATOM 65 CB VAL A 6 -10.237 -2.699 -1.450 1.00 1.36 C ATOM 66 CG1 VAL A 6 -10.557 -1.798 -0.252 1.00 2.38 C ATOM 67 CG2 VAL A 6 -11.483 -3.517 -1.800 1.00 1.54 C ATOM 0 H VAL A 6 -11.929 -1.467 -2.776 1.00 1.37 H new ATOM 0 HA VAL A 6 -9.126 -1.091 -2.321 1.00 1.13 H new ATOM 0 HB VAL A 6 -9.410 -3.362 -1.197 1.00 1.36 H new ATOM 0 HG11 VAL A 6 -10.836 -2.414 0.603 1.00 2.38 H new ATOM 0 HG12 VAL A 6 -9.679 -1.203 0.001 1.00 2.38 H new ATOM 0 HG13 VAL A 6 -11.384 -1.135 -0.506 1.00 2.38 H new ATOM 0 HG21 VAL A 6 -11.767 -4.131 -0.945 1.00 1.54 H new ATOM 0 HG22 VAL A 6 -12.302 -2.843 -2.051 1.00 1.54 H new ATOM 0 HG23 VAL A 6 -11.268 -4.161 -2.653 1.00 1.54 H new ATOM 77 N GLY A 7 -8.142 -3.352 -3.477 1.00 0.95 N ATOM 78 CA GLY A 7 -7.549 -4.224 -4.517 1.00 0.96 C ATOM 79 C GLY A 7 -6.573 -3.458 -5.385 1.00 0.91 C ATOM 80 O GLY A 7 -6.277 -3.864 -6.474 1.00 1.47 O ATOM 0 H GLY A 7 -7.637 -3.315 -2.592 1.00 0.95 H new ATOM 0 HA2 GLY A 7 -7.038 -5.062 -4.044 1.00 0.96 H new ATOM 0 HA3 GLY A 7 -8.341 -4.643 -5.138 1.00 0.96 H new ATOM 84 N ARG A 8 -6.109 -2.338 -4.941 1.00 0.62 N ATOM 85 CA ARG A 8 -5.215 -1.509 -5.789 1.00 0.60 C ATOM 86 C ARG A 8 -4.078 -0.983 -4.915 1.00 0.52 C ATOM 87 O ARG A 8 -4.054 -1.220 -3.724 1.00 0.57 O ATOM 88 CB ARG A 8 -5.999 -0.299 -6.295 1.00 0.67 C ATOM 89 CG ARG A 8 -6.346 0.628 -5.117 1.00 1.19 C ATOM 90 CD ARG A 8 -7.357 1.687 -5.568 1.00 1.16 C ATOM 91 NE ARG A 8 -7.571 2.677 -4.467 1.00 1.98 N ATOM 92 CZ ARG A 8 -8.153 2.328 -3.348 1.00 2.55 C ATOM 93 NH1 ARG A 8 -8.566 1.107 -3.170 1.00 2.63 N ATOM 94 NH2 ARG A 8 -8.325 3.212 -2.404 1.00 3.56 N ATOM 0 H ARG A 8 -6.309 -1.952 -4.018 1.00 0.62 H new ATOM 0 HA ARG A 8 -4.835 -2.101 -6.621 1.00 0.60 H new ATOM 0 HB2 ARG A 8 -5.411 0.243 -7.035 1.00 0.67 H new ATOM 0 HB3 ARG A 8 -6.912 -0.628 -6.792 1.00 0.67 H new ATOM 0 HG2 ARG A 8 -6.759 0.045 -4.294 1.00 1.19 H new ATOM 0 HG3 ARG A 8 -5.443 1.110 -4.744 1.00 1.19 H new ATOM 0 HD2 ARG A 8 -6.993 2.194 -6.461 1.00 1.16 H new ATOM 0 HD3 ARG A 8 -8.302 1.213 -5.833 1.00 1.16 H new ATOM 0 HE ARG A 8 -7.258 3.640 -4.591 1.00 1.98 H new ATOM 0 HH11 ARG A 8 -8.437 0.413 -3.906 1.00 2.63 H new ATOM 0 HH12 ARG A 8 -9.019 0.844 -2.294 1.00 2.63 H new ATOM 0 HH21 ARG A 8 -8.006 4.171 -2.540 1.00 3.56 H new ATOM 0 HH22 ARG A 8 -8.778 2.944 -1.530 1.00 3.56 H new ATOM 108 N ILE A 9 -3.136 -0.292 -5.501 1.00 0.50 N ATOM 109 CA ILE A 9 -1.980 0.234 -4.704 1.00 0.51 C ATOM 110 C ILE A 9 -2.101 1.726 -4.461 1.00 0.41 C ATOM 111 O ILE A 9 -2.676 2.487 -5.232 1.00 0.39 O ATOM 112 CB ILE A 9 -0.639 -0.130 -5.342 1.00 0.64 C ATOM 113 CG1 ILE A 9 -0.552 -1.661 -5.391 1.00 1.05 C ATOM 114 CG2 ILE A 9 0.540 0.425 -4.514 1.00 0.92 C ATOM 115 CD1 ILE A 9 0.712 -2.097 -6.122 1.00 1.43 C ATOM 0 H ILE A 9 -3.114 -0.067 -6.496 1.00 0.50 H new ATOM 0 HA ILE A 9 -2.012 -0.254 -3.730 1.00 0.51 H new ATOM 0 HB ILE A 9 -0.578 0.304 -6.340 1.00 0.64 H new ATOM 0 HG12 ILE A 9 -0.552 -2.064 -4.378 1.00 1.05 H new ATOM 0 HG13 ILE A 9 -1.430 -2.066 -5.895 1.00 1.05 H new ATOM 0 HG21 ILE A 9 1.481 0.151 -4.991 1.00 0.92 H new ATOM 0 HG22 ILE A 9 0.465 1.511 -4.457 1.00 0.92 H new ATOM 0 HG23 ILE A 9 0.508 0.006 -3.508 1.00 0.92 H new ATOM 0 HD11 ILE A 9 0.760 -3.186 -6.149 1.00 1.43 H new ATOM 0 HD12 ILE A 9 0.695 -1.709 -7.141 1.00 1.43 H new ATOM 0 HD13 ILE A 9 1.586 -1.708 -5.600 1.00 1.43 H new ATOM 127 N CYS A 10 -1.604 2.096 -3.316 1.00 0.40 N ATOM 128 CA CYS A 10 -1.670 3.504 -2.859 1.00 0.35 C ATOM 129 C CYS A 10 -0.287 4.099 -2.691 1.00 0.35 C ATOM 130 O CYS A 10 0.677 3.408 -2.485 1.00 0.40 O ATOM 131 CB CYS A 10 -2.324 3.547 -1.494 1.00 0.36 C ATOM 132 SG CYS A 10 -1.017 3.535 -0.227 1.00 1.19 S ATOM 0 H CYS A 10 -1.143 1.462 -2.663 1.00 0.40 H new ATOM 0 HA CYS A 10 -2.229 4.066 -3.607 1.00 0.35 H new ATOM 0 HB2 CYS A 10 -2.938 4.442 -1.396 1.00 0.36 H new ATOM 0 HB3 CYS A 10 -2.986 2.691 -1.364 1.00 0.36 H new ATOM 137 N VAL A 11 -0.222 5.390 -2.780 1.00 0.34 N ATOM 138 CA VAL A 11 1.096 6.124 -2.626 1.00 0.41 C ATOM 139 C VAL A 11 0.993 7.233 -1.564 1.00 0.41 C ATOM 140 O VAL A 11 0.039 7.960 -1.555 1.00 0.39 O ATOM 141 CB VAL A 11 1.463 6.759 -3.969 1.00 0.53 C ATOM 142 CG1 VAL A 11 2.837 7.421 -3.871 1.00 0.79 C ATOM 143 CG2 VAL A 11 1.494 5.680 -5.054 1.00 0.95 C ATOM 0 H VAL A 11 -1.026 5.993 -2.955 1.00 0.34 H new ATOM 0 HA VAL A 11 1.858 5.411 -2.310 1.00 0.41 H new ATOM 0 HB VAL A 11 0.718 7.512 -4.224 1.00 0.53 H new ATOM 0 HG11 VAL A 11 3.093 7.871 -4.830 1.00 0.79 H new ATOM 0 HG12 VAL A 11 2.815 8.193 -3.102 1.00 0.79 H new ATOM 0 HG13 VAL A 11 3.584 6.671 -3.611 1.00 0.79 H new ATOM 0 HG21 VAL A 11 1.755 6.133 -6.010 1.00 0.95 H new ATOM 0 HG22 VAL A 11 2.236 4.925 -4.795 1.00 0.95 H new ATOM 0 HG23 VAL A 11 0.512 5.212 -5.130 1.00 0.95 H new ATOM 153 N LYS A 12 1.925 7.417 -0.656 1.00 0.50 N ATOM 154 CA LYS A 12 1.722 8.512 0.337 1.00 0.58 C ATOM 155 C LYS A 12 2.275 9.825 -0.207 1.00 0.66 C ATOM 156 O LYS A 12 3.348 9.862 -0.776 1.00 0.86 O ATOM 157 CB LYS A 12 2.504 8.164 1.608 1.00 0.77 C ATOM 158 CG LYS A 12 1.911 6.914 2.262 1.00 1.44 C ATOM 159 CD LYS A 12 2.585 6.662 3.615 1.00 1.81 C ATOM 160 CE LYS A 12 2.112 5.321 4.180 1.00 2.64 C ATOM 161 NZ LYS A 12 2.504 4.225 3.246 1.00 3.12 N ATOM 0 H LYS A 12 2.785 6.877 -0.563 1.00 0.50 H new ATOM 0 HA LYS A 12 0.656 8.618 0.541 1.00 0.58 H new ATOM 0 HB2 LYS A 12 3.553 7.994 1.364 1.00 0.77 H new ATOM 0 HB3 LYS A 12 2.470 9.000 2.306 1.00 0.77 H new ATOM 0 HG2 LYS A 12 0.837 7.040 2.399 1.00 1.44 H new ATOM 0 HG3 LYS A 12 2.050 6.051 1.610 1.00 1.44 H new ATOM 0 HD2 LYS A 12 3.669 6.657 3.498 1.00 1.81 H new ATOM 0 HD3 LYS A 12 2.343 7.467 4.309 1.00 1.81 H new ATOM 0 HE2 LYS A 12 2.553 5.152 5.162 1.00 2.64 H new ATOM 0 HE3 LYS A 12 1.030 5.331 4.313 1.00 2.64 H new ATOM 0 HZ1 LYS A 12 1.649 3.783 2.851 1.00 3.12 H new ATOM 0 HZ2 LYS A 12 3.080 4.617 2.473 1.00 3.12 H new ATOM 0 HZ3 LYS A 12 3.057 3.511 3.762 1.00 3.12 H new ATOM 175 N VAL A 13 1.563 10.918 0.008 1.00 0.63 N ATOM 176 CA VAL A 13 2.097 12.227 -0.461 1.00 0.80 C ATOM 177 C VAL A 13 2.156 13.230 0.692 1.00 0.93 C ATOM 178 O VAL A 13 1.151 13.611 1.257 1.00 0.88 O ATOM 179 CB VAL A 13 1.135 12.764 -1.508 1.00 0.82 C ATOM 180 CG1 VAL A 13 1.692 14.047 -2.126 1.00 1.69 C ATOM 181 CG2 VAL A 13 0.919 11.710 -2.592 1.00 1.27 C ATOM 0 H VAL A 13 0.658 10.951 0.477 1.00 0.63 H new ATOM 0 HA VAL A 13 3.101 12.090 -0.861 1.00 0.80 H new ATOM 0 HB VAL A 13 0.180 12.992 -1.034 1.00 0.82 H new ATOM 0 HG11 VAL A 13 0.995 14.423 -2.875 1.00 1.69 H new ATOM 0 HG12 VAL A 13 1.827 14.797 -1.347 1.00 1.69 H new ATOM 0 HG13 VAL A 13 2.652 13.837 -2.598 1.00 1.69 H new ATOM 0 HG21 VAL A 13 0.229 12.096 -3.342 1.00 1.27 H new ATOM 0 HG22 VAL A 13 1.872 11.473 -3.064 1.00 1.27 H new ATOM 0 HG23 VAL A 13 0.501 10.808 -2.145 1.00 1.27 H new ATOM 191 N LYS A 14 3.330 13.709 0.981 1.00 1.19 N ATOM 192 CA LYS A 14 3.516 14.749 2.036 1.00 1.42 C ATOM 193 C LYS A 14 4.873 15.398 1.779 1.00 1.67 C ATOM 194 O LYS A 14 5.645 14.911 0.979 1.00 1.73 O ATOM 195 CB LYS A 14 3.502 14.157 3.462 1.00 1.43 C ATOM 196 CG LYS A 14 2.149 13.512 3.780 1.00 1.52 C ATOM 197 CD LYS A 14 2.135 13.070 5.244 1.00 1.56 C ATOM 198 CE LYS A 14 0.837 12.315 5.532 1.00 2.28 C ATOM 199 NZ LYS A 14 0.930 11.661 6.867 1.00 2.43 N ATOM 0 H LYS A 14 4.192 13.418 0.520 1.00 1.19 H new ATOM 0 HA LYS A 14 2.693 15.462 1.983 1.00 1.42 H new ATOM 0 HB2 LYS A 14 4.294 13.414 3.558 1.00 1.43 H new ATOM 0 HB3 LYS A 14 3.713 14.943 4.187 1.00 1.43 H new ATOM 0 HG2 LYS A 14 1.342 14.221 3.594 1.00 1.52 H new ATOM 0 HG3 LYS A 14 1.978 12.656 3.127 1.00 1.52 H new ATOM 0 HD2 LYS A 14 2.994 12.432 5.451 1.00 1.56 H new ATOM 0 HD3 LYS A 14 2.217 13.938 5.899 1.00 1.56 H new ATOM 0 HE2 LYS A 14 -0.009 13.002 5.510 1.00 2.28 H new ATOM 0 HE3 LYS A 14 0.660 11.566 4.760 1.00 2.28 H new ATOM 0 HZ1 LYS A 14 0.773 10.638 6.764 1.00 2.43 H new ATOM 0 HZ2 LYS A 14 1.874 11.828 7.270 1.00 2.43 H new ATOM 0 HZ3 LYS A 14 0.208 12.060 7.500 1.00 2.43 H new ATOM 213 N GLY A 15 5.200 16.463 2.444 1.00 1.91 N ATOM 214 CA GLY A 15 6.535 17.076 2.209 1.00 2.20 C ATOM 215 C GLY A 15 7.517 16.307 3.092 1.00 2.22 C ATOM 216 O GLY A 15 7.119 15.373 3.752 1.00 2.26 O ATOM 0 H GLY A 15 4.612 16.933 3.132 1.00 1.91 H new ATOM 0 HA2 GLY A 15 6.817 17.004 1.159 1.00 2.20 H new ATOM 0 HA3 GLY A 15 6.528 18.135 2.465 1.00 2.20 H new ATOM 220 N ARG A 16 8.779 16.657 3.105 1.00 2.31 N ATOM 221 CA ARG A 16 9.778 15.900 3.934 1.00 2.37 C ATOM 222 C ARG A 16 9.492 14.385 3.912 1.00 2.28 C ATOM 223 O ARG A 16 8.616 13.898 4.591 1.00 2.27 O ATOM 224 CB ARG A 16 9.721 16.402 5.379 1.00 2.49 C ATOM 225 CG ARG A 16 10.147 17.871 5.431 1.00 2.87 C ATOM 226 CD ARG A 16 10.197 18.338 6.888 1.00 3.02 C ATOM 227 NE ARG A 16 10.399 19.814 6.930 1.00 3.63 N ATOM 228 CZ ARG A 16 10.913 20.376 7.992 1.00 4.15 C ATOM 229 NH1 ARG A 16 11.253 19.645 9.019 1.00 4.18 N ATOM 230 NH2 ARG A 16 11.084 21.668 8.026 1.00 4.93 N ATOM 0 H ARG A 16 9.166 17.438 2.575 1.00 2.31 H new ATOM 0 HA ARG A 16 10.769 16.068 3.512 1.00 2.37 H new ATOM 0 HB2 ARG A 16 8.711 16.292 5.773 1.00 2.49 H new ATOM 0 HB3 ARG A 16 10.376 15.801 6.009 1.00 2.49 H new ATOM 0 HG2 ARG A 16 11.125 17.994 4.965 1.00 2.87 H new ATOM 0 HG3 ARG A 16 9.445 18.484 4.866 1.00 2.87 H new ATOM 0 HD2 ARG A 16 9.271 18.072 7.398 1.00 3.02 H new ATOM 0 HD3 ARG A 16 11.007 17.834 7.415 1.00 3.02 H new ATOM 0 HE ARG A 16 10.136 20.387 6.128 1.00 3.63 H new ATOM 0 HH11 ARG A 16 11.118 18.634 8.993 1.00 4.18 H new ATOM 0 HH12 ARG A 16 11.654 20.085 9.847 1.00 4.18 H new ATOM 0 HH21 ARG A 16 10.817 22.239 7.224 1.00 4.93 H new ATOM 0 HH22 ARG A 16 11.485 22.108 8.854 1.00 4.93 H new ATOM 244 N GLU A 17 10.290 13.644 3.176 1.00 2.28 N ATOM 245 CA GLU A 17 10.165 12.152 3.100 1.00 2.23 C ATOM 246 C GLU A 17 8.707 11.676 3.169 1.00 1.93 C ATOM 247 O GLU A 17 8.053 11.757 4.189 1.00 2.50 O ATOM 248 CB GLU A 17 10.957 11.534 4.260 1.00 2.57 C ATOM 249 CG GLU A 17 10.981 10.008 4.129 1.00 2.68 C ATOM 250 CD GLU A 17 11.689 9.402 5.342 1.00 2.78 C ATOM 251 OE1 GLU A 17 12.093 10.161 6.208 1.00 3.13 O ATOM 252 OE2 GLU A 17 11.815 8.190 5.385 1.00 3.04 O ATOM 0 H GLU A 17 11.046 14.026 2.608 1.00 2.28 H new ATOM 0 HA GLU A 17 10.561 11.832 2.136 1.00 2.23 H new ATOM 0 HB2 GLU A 17 11.975 11.922 4.262 1.00 2.57 H new ATOM 0 HB3 GLU A 17 10.505 11.818 5.211 1.00 2.57 H new ATOM 0 HG2 GLU A 17 9.964 9.623 4.058 1.00 2.68 H new ATOM 0 HG3 GLU A 17 11.496 9.719 3.213 1.00 2.68 H new ATOM 259 N ALA A 18 8.192 11.172 2.080 1.00 1.46 N ATOM 260 CA ALA A 18 6.769 10.702 2.075 1.00 1.34 C ATOM 261 C ALA A 18 6.490 9.799 0.873 1.00 1.18 C ATOM 262 O ALA A 18 5.354 9.555 0.517 1.00 1.77 O ATOM 263 CB ALA A 18 5.859 11.917 1.994 1.00 1.78 C ATOM 0 H ALA A 18 8.689 11.064 1.196 1.00 1.46 H new ATOM 0 HA ALA A 18 6.585 10.133 2.986 1.00 1.34 H new ATOM 0 HB1 ALA A 18 4.818 11.593 1.989 1.00 1.78 H new ATOM 0 HB2 ALA A 18 6.034 12.561 2.856 1.00 1.78 H new ATOM 0 HB3 ALA A 18 6.071 12.470 1.079 1.00 1.78 H new ATOM 269 N GLY A 19 7.513 9.301 0.248 1.00 1.06 N ATOM 270 CA GLY A 19 7.318 8.417 -0.925 1.00 1.02 C ATOM 271 C GLY A 19 7.183 6.983 -0.423 1.00 0.78 C ATOM 272 O GLY A 19 8.170 6.299 -0.232 1.00 0.90 O ATOM 0 H GLY A 19 8.486 9.471 0.503 1.00 1.06 H new ATOM 0 HA2 GLY A 19 6.427 8.711 -1.479 1.00 1.02 H new ATOM 0 HA3 GLY A 19 8.162 8.502 -1.610 1.00 1.02 H new ATOM 276 N SER A 20 5.980 6.487 -0.290 1.00 0.62 N ATOM 277 CA SER A 20 5.829 5.053 0.100 1.00 0.54 C ATOM 278 C SER A 20 4.615 4.465 -0.610 1.00 0.48 C ATOM 279 O SER A 20 3.576 5.093 -0.661 1.00 0.53 O ATOM 280 CB SER A 20 5.628 4.962 1.607 1.00 0.71 C ATOM 281 OG SER A 20 6.816 5.380 2.268 1.00 1.36 O ATOM 0 H SER A 20 5.110 7.001 -0.431 1.00 0.62 H new ATOM 0 HA SER A 20 6.723 4.497 -0.184 1.00 0.54 H new ATOM 0 HB2 SER A 20 4.790 5.588 1.912 1.00 0.71 H new ATOM 0 HB3 SER A 20 5.381 3.939 1.891 1.00 0.71 H new ATOM 0 HG SER A 20 7.332 4.593 2.541 1.00 1.36 H new ATOM 287 N LYS A 21 4.708 3.265 -1.133 1.00 0.45 N ATOM 288 CA LYS A 21 3.521 2.664 -1.806 1.00 0.44 C ATOM 289 C LYS A 21 2.890 1.627 -0.888 1.00 0.39 C ATOM 290 O LYS A 21 3.580 0.845 -0.278 1.00 0.39 O ATOM 291 CB LYS A 21 3.957 2.018 -3.118 1.00 0.51 C ATOM 292 CG LYS A 21 4.474 3.125 -4.027 1.00 1.45 C ATOM 293 CD LYS A 21 4.831 2.576 -5.401 1.00 1.74 C ATOM 294 CE LYS A 21 5.470 3.691 -6.232 1.00 2.27 C ATOM 295 NZ LYS A 21 5.520 3.275 -7.661 1.00 3.16 N ATOM 0 H LYS A 21 5.546 2.684 -1.122 1.00 0.45 H new ATOM 0 HA LYS A 21 2.785 3.438 -2.021 1.00 0.44 H new ATOM 0 HB2 LYS A 21 4.734 1.275 -2.939 1.00 0.51 H new ATOM 0 HB3 LYS A 21 3.121 1.498 -3.585 1.00 0.51 H new ATOM 0 HG2 LYS A 21 3.717 3.903 -4.127 1.00 1.45 H new ATOM 0 HG3 LYS A 21 5.351 3.590 -3.578 1.00 1.45 H new ATOM 0 HD2 LYS A 21 5.520 1.737 -5.304 1.00 1.74 H new ATOM 0 HD3 LYS A 21 3.938 2.199 -5.900 1.00 1.74 H new ATOM 0 HE2 LYS A 21 4.895 4.611 -6.129 1.00 2.27 H new ATOM 0 HE3 LYS A 21 6.476 3.901 -5.867 1.00 2.27 H new ATOM 0 HZ1 LYS A 21 5.954 4.031 -8.228 1.00 3.16 H new ATOM 0 HZ2 LYS A 21 6.086 2.407 -7.750 1.00 3.16 H new ATOM 0 HZ3 LYS A 21 4.555 3.096 -8.004 1.00 3.16 H new ATOM 309 N CYS A 22 1.587 1.570 -0.818 1.00 0.39 N ATOM 310 CA CYS A 22 0.959 0.530 0.042 1.00 0.38 C ATOM 311 C CYS A 22 -0.114 -0.177 -0.742 1.00 0.36 C ATOM 312 O CYS A 22 -0.682 0.352 -1.669 1.00 0.39 O ATOM 313 CB CYS A 22 0.277 1.142 1.260 1.00 0.46 C ATOM 314 SG CYS A 22 -1.348 1.827 0.798 1.00 0.78 S ATOM 0 H CYS A 22 0.941 2.187 -1.310 1.00 0.39 H new ATOM 0 HA CYS A 22 1.751 -0.146 0.363 1.00 0.38 H new ATOM 0 HB2 CYS A 22 0.153 0.385 2.035 1.00 0.46 H new ATOM 0 HB3 CYS A 22 0.905 1.928 1.680 1.00 0.46 H new ATOM 319 N VAL A 23 -0.425 -1.343 -0.323 1.00 0.34 N ATOM 320 CA VAL A 23 -1.505 -2.115 -0.988 1.00 0.35 C ATOM 321 C VAL A 23 -2.713 -2.061 -0.059 1.00 0.37 C ATOM 322 O VAL A 23 -2.583 -2.205 1.141 1.00 0.39 O ATOM 323 CB VAL A 23 -1.050 -3.564 -1.206 1.00 0.39 C ATOM 324 CG1 VAL A 23 -2.119 -4.337 -1.984 1.00 0.43 C ATOM 325 CG2 VAL A 23 0.256 -3.564 -2.004 1.00 0.41 C ATOM 0 H VAL A 23 0.022 -1.815 0.464 1.00 0.34 H new ATOM 0 HA VAL A 23 -1.752 -1.700 -1.965 1.00 0.35 H new ATOM 0 HB VAL A 23 -0.896 -4.043 -0.239 1.00 0.39 H new ATOM 0 HG11 VAL A 23 -1.788 -5.365 -2.134 1.00 0.43 H new ATOM 0 HG12 VAL A 23 -3.052 -4.335 -1.420 1.00 0.43 H new ATOM 0 HG13 VAL A 23 -2.279 -3.862 -2.952 1.00 0.43 H new ATOM 0 HG21 VAL A 23 0.585 -4.591 -2.163 1.00 0.41 H new ATOM 0 HG22 VAL A 23 0.093 -3.082 -2.968 1.00 0.41 H new ATOM 0 HG23 VAL A 23 1.021 -3.019 -1.450 1.00 0.41 H new ATOM 335 N ILE A 24 -3.882 -1.814 -0.593 1.00 0.37 N ATOM 336 CA ILE A 24 -5.082 -1.705 0.288 1.00 0.41 C ATOM 337 C ILE A 24 -5.905 -2.975 0.206 1.00 0.41 C ATOM 338 O ILE A 24 -6.235 -3.435 -0.870 1.00 0.41 O ATOM 339 CB ILE A 24 -5.932 -0.528 -0.196 1.00 0.44 C ATOM 340 CG1 ILE A 24 -5.082 0.742 -0.189 1.00 0.45 C ATOM 341 CG2 ILE A 24 -7.141 -0.341 0.718 1.00 0.48 C ATOM 342 CD1 ILE A 24 -5.886 1.900 -0.774 1.00 0.51 C ATOM 0 H ILE A 24 -4.056 -1.684 -1.590 1.00 0.37 H new ATOM 0 HA ILE A 24 -4.766 -1.553 1.320 1.00 0.41 H new ATOM 0 HB ILE A 24 -6.284 -0.731 -1.207 1.00 0.44 H new ATOM 0 HG12 ILE A 24 -4.772 0.979 0.829 1.00 0.45 H new ATOM 0 HG13 ILE A 24 -4.173 0.587 -0.771 1.00 0.45 H new ATOM 0 HG21 ILE A 24 -7.738 0.499 0.364 1.00 0.48 H new ATOM 0 HG22 ILE A 24 -7.747 -1.247 0.709 1.00 0.48 H new ATOM 0 HG23 ILE A 24 -6.801 -0.142 1.734 1.00 0.48 H new ATOM 0 HD11 ILE A 24 -5.278 2.805 -0.768 1.00 0.51 H new ATOM 0 HD12 ILE A 24 -6.173 1.663 -1.798 1.00 0.51 H new ATOM 0 HD13 ILE A 24 -6.782 2.061 -0.174 1.00 0.51 H new ATOM 354 N VAL A 25 -6.264 -3.546 1.341 1.00 0.44 N ATOM 355 CA VAL A 25 -7.091 -4.777 1.275 1.00 0.45 C ATOM 356 C VAL A 25 -8.143 -4.815 2.391 1.00 0.65 C ATOM 357 O VAL A 25 -8.151 -5.715 3.200 1.00 1.30 O ATOM 358 CB VAL A 25 -6.109 -5.929 1.547 1.00 0.65 C ATOM 359 CG1 VAL A 25 -6.506 -7.171 0.782 1.00 1.10 C ATOM 360 CG2 VAL A 25 -4.689 -5.536 1.136 1.00 0.68 C ATOM 0 H VAL A 25 -6.024 -3.217 2.276 1.00 0.44 H new ATOM 0 HA VAL A 25 -7.606 -4.833 0.316 1.00 0.45 H new ATOM 0 HB VAL A 25 -6.140 -6.136 2.617 1.00 0.65 H new ATOM 0 HG11 VAL A 25 -5.795 -7.970 0.992 1.00 1.10 H new ATOM 0 HG12 VAL A 25 -7.504 -7.483 1.088 1.00 1.10 H new ATOM 0 HG13 VAL A 25 -6.505 -6.956 -0.287 1.00 1.10 H new ATOM 0 HG21 VAL A 25 -4.010 -6.365 1.337 1.00 0.68 H new ATOM 0 HG22 VAL A 25 -4.670 -5.301 0.072 1.00 0.68 H new ATOM 0 HG23 VAL A 25 -4.374 -4.662 1.706 1.00 0.68 H new ATOM 370 N ASP A 26 -9.116 -3.949 2.337 1.00 0.41 N ATOM 371 CA ASP A 26 -10.267 -4.014 3.290 1.00 0.53 C ATOM 372 C ASP A 26 -11.016 -2.701 3.230 1.00 0.43 C ATOM 373 O ASP A 26 -10.382 -1.647 3.175 1.00 0.45 O ATOM 374 CB ASP A 26 -9.848 -4.185 4.742 1.00 0.76 C ATOM 375 CG ASP A 26 -11.084 -4.467 5.597 1.00 0.99 C ATOM 376 OD1 ASP A 26 -12.151 -4.623 5.026 1.00 1.48 O ATOM 377 OD2 ASP A 26 -10.944 -4.518 6.807 1.00 1.56 O ATOM 0 H ASP A 26 -9.166 -3.185 1.663 1.00 0.41 H new ATOM 0 HA ASP A 26 -10.861 -4.877 2.990 1.00 0.53 H new ATOM 0 HB2 ASP A 26 -9.135 -5.005 4.832 1.00 0.76 H new ATOM 0 HB3 ASP A 26 -9.345 -3.285 5.095 1.00 0.76 H new ATOM 382 N ILE A 27 -12.299 -2.715 3.443 1.00 0.57 N ATOM 383 CA ILE A 27 -13.012 -1.424 3.595 1.00 0.65 C ATOM 384 C ILE A 27 -13.656 -1.511 4.974 1.00 0.63 C ATOM 385 O ILE A 27 -14.468 -2.376 5.230 1.00 0.79 O ATOM 386 CB ILE A 27 -14.087 -1.285 2.517 1.00 0.94 C ATOM 387 CG1 ILE A 27 -14.841 0.029 2.720 1.00 1.59 C ATOM 388 CG2 ILE A 27 -15.070 -2.455 2.608 1.00 1.36 C ATOM 389 CD1 ILE A 27 -15.658 0.347 1.467 1.00 1.80 C ATOM 0 H ILE A 27 -12.877 -3.552 3.517 1.00 0.57 H new ATOM 0 HA ILE A 27 -12.350 -0.564 3.495 1.00 0.65 H new ATOM 0 HB ILE A 27 -13.614 -1.290 1.535 1.00 0.94 H new ATOM 0 HG12 ILE A 27 -15.498 -0.047 3.586 1.00 1.59 H new ATOM 0 HG13 ILE A 27 -14.138 0.837 2.923 1.00 1.59 H new ATOM 0 HG21 ILE A 27 -15.833 -2.350 1.837 1.00 1.36 H new ATOM 0 HG22 ILE A 27 -14.534 -3.393 2.462 1.00 1.36 H new ATOM 0 HG23 ILE A 27 -15.544 -2.457 3.590 1.00 1.36 H new ATOM 0 HD11 ILE A 27 -16.196 1.284 1.611 1.00 1.80 H new ATOM 0 HD12 ILE A 27 -14.990 0.440 0.611 1.00 1.80 H new ATOM 0 HD13 ILE A 27 -16.372 -0.456 1.284 1.00 1.80 H new ATOM 401 N ILE A 28 -13.290 -0.648 5.878 1.00 0.57 N ATOM 402 CA ILE A 28 -13.869 -0.716 7.246 1.00 0.58 C ATOM 403 C ILE A 28 -15.008 0.272 7.366 1.00 0.66 C ATOM 404 O ILE A 28 -16.174 -0.049 7.253 1.00 0.71 O ATOM 405 CB ILE A 28 -12.733 -0.351 8.213 1.00 0.57 C ATOM 406 CG1 ILE A 28 -11.621 -1.376 8.029 1.00 0.68 C ATOM 407 CG2 ILE A 28 -13.195 -0.318 9.671 1.00 0.61 C ATOM 408 CD1 ILE A 28 -10.424 -1.016 8.898 1.00 0.77 C ATOM 0 H ILE A 28 -12.615 0.102 5.728 1.00 0.57 H new ATOM 0 HA ILE A 28 -14.266 -1.706 7.469 1.00 0.58 H new ATOM 0 HB ILE A 28 -12.380 0.655 7.984 1.00 0.57 H new ATOM 0 HG12 ILE A 28 -11.985 -2.369 8.292 1.00 0.68 H new ATOM 0 HG13 ILE A 28 -11.321 -1.414 6.982 1.00 0.68 H new ATOM 0 HG21 ILE A 28 -12.354 -0.055 10.313 1.00 0.61 H new ATOM 0 HG22 ILE A 28 -13.985 0.424 9.786 1.00 0.61 H new ATOM 0 HG23 ILE A 28 -13.575 -1.299 9.955 1.00 0.61 H new ATOM 0 HD11 ILE A 28 -9.636 -1.756 8.757 1.00 0.77 H new ATOM 0 HD12 ILE A 28 -10.052 -0.032 8.615 1.00 0.77 H new ATOM 0 HD13 ILE A 28 -10.726 -1.002 9.945 1.00 0.77 H new ATOM 420 N ASP A 29 -14.632 1.484 7.587 1.00 1.01 N ATOM 421 CA ASP A 29 -15.590 2.583 7.725 1.00 1.18 C ATOM 422 C ASP A 29 -15.525 3.415 6.465 1.00 1.33 C ATOM 423 O ASP A 29 -14.591 3.341 5.692 1.00 2.10 O ATOM 424 CB ASP A 29 -15.243 3.440 8.923 1.00 1.03 C ATOM 425 CG ASP A 29 -16.354 4.464 9.161 1.00 1.72 C ATOM 426 OD1 ASP A 29 -17.330 4.111 9.802 1.00 2.26 O ATOM 427 OD2 ASP A 29 -16.209 5.583 8.698 1.00 2.40 O ATOM 0 H ASP A 29 -13.656 1.766 7.681 1.00 1.01 H new ATOM 0 HA ASP A 29 -16.594 2.186 7.873 1.00 1.18 H new ATOM 0 HB2 ASP A 29 -15.117 2.814 9.806 1.00 1.03 H new ATOM 0 HB3 ASP A 29 -14.294 3.950 8.755 1.00 1.03 H new ATOM 432 N ASP A 30 -16.523 4.176 6.246 1.00 1.29 N ATOM 433 CA ASP A 30 -16.537 4.988 5.016 1.00 1.39 C ATOM 434 C ASP A 30 -15.259 5.842 4.947 1.00 1.13 C ATOM 435 O ASP A 30 -14.705 6.020 3.880 1.00 1.20 O ATOM 436 CB ASP A 30 -17.760 5.899 5.021 1.00 1.64 C ATOM 437 CG ASP A 30 -19.024 5.048 4.892 1.00 1.90 C ATOM 438 OD1 ASP A 30 -18.895 3.874 4.585 1.00 2.09 O ATOM 439 OD2 ASP A 30 -20.099 5.585 5.103 1.00 2.55 O ATOM 0 H ASP A 30 -17.334 4.280 6.856 1.00 1.29 H new ATOM 0 HA ASP A 30 -16.579 4.330 4.148 1.00 1.39 H new ATOM 0 HB2 ASP A 30 -17.791 6.480 5.943 1.00 1.64 H new ATOM 0 HB3 ASP A 30 -17.701 6.611 4.197 1.00 1.64 H new ATOM 444 N ASN A 31 -14.772 6.375 6.053 1.00 0.91 N ATOM 445 CA ASN A 31 -13.534 7.206 5.975 1.00 0.77 C ATOM 446 C ASN A 31 -12.238 6.423 6.304 1.00 0.58 C ATOM 447 O ASN A 31 -11.167 7.012 6.274 1.00 0.53 O ATOM 448 CB ASN A 31 -13.671 8.365 6.962 1.00 0.86 C ATOM 449 CG ASN A 31 -14.867 9.233 6.565 1.00 1.29 C ATOM 450 OD1 ASN A 31 -15.338 9.162 5.447 1.00 2.10 O ATOM 451 ND2 ASN A 31 -15.382 10.053 7.438 1.00 1.60 N ATOM 0 H ASN A 31 -15.174 6.269 6.984 1.00 0.91 H new ATOM 0 HA ASN A 31 -13.441 7.550 4.945 1.00 0.77 H new ATOM 0 HB2 ASN A 31 -13.806 7.982 7.973 1.00 0.86 H new ATOM 0 HB3 ASN A 31 -12.760 8.963 6.967 1.00 0.86 H new ATOM 0 HD21 ASN A 31 -16.180 10.635 7.183 1.00 1.60 H new ATOM 0 HD22 ASN A 31 -14.987 10.113 8.376 1.00 1.60 H new ATOM 458 N PHE A 32 -12.302 5.131 6.612 1.00 0.56 N ATOM 459 CA PHE A 32 -11.049 4.360 6.935 1.00 0.45 C ATOM 460 C PHE A 32 -10.822 3.159 6.001 1.00 0.45 C ATOM 461 O PHE A 32 -11.745 2.494 5.574 1.00 0.52 O ATOM 462 CB PHE A 32 -11.114 3.902 8.398 1.00 0.48 C ATOM 463 CG PHE A 32 -10.996 5.102 9.333 1.00 0.54 C ATOM 464 CD1 PHE A 32 -12.124 5.820 9.756 1.00 1.52 C ATOM 465 CD2 PHE A 32 -9.724 5.495 9.777 1.00 1.09 C ATOM 466 CE1 PHE A 32 -11.981 6.915 10.617 1.00 1.60 C ATOM 467 CE2 PHE A 32 -9.584 6.588 10.639 1.00 1.13 C ATOM 468 CZ PHE A 32 -10.712 7.297 11.059 1.00 0.80 C ATOM 0 H PHE A 32 -13.164 4.588 6.651 1.00 0.56 H new ATOM 0 HA PHE A 32 -10.199 5.024 6.781 1.00 0.45 H new ATOM 0 HB2 PHE A 32 -12.053 3.380 8.582 1.00 0.48 H new ATOM 0 HB3 PHE A 32 -10.311 3.194 8.601 1.00 0.48 H new ATOM 0 HD1 PHE A 32 -13.107 5.527 9.416 1.00 1.52 H new ATOM 0 HD2 PHE A 32 -8.849 4.951 9.452 1.00 1.09 H new ATOM 0 HE1 PHE A 32 -12.853 7.465 10.940 1.00 1.60 H new ATOM 0 HE2 PHE A 32 -8.603 6.884 10.980 1.00 1.13 H new ATOM 0 HZ PHE A 32 -10.603 8.140 11.725 1.00 0.80 H new ATOM 478 N VAL A 33 -9.572 2.885 5.703 1.00 0.40 N ATOM 479 CA VAL A 33 -9.203 1.732 4.817 1.00 0.42 C ATOM 480 C VAL A 33 -8.068 0.905 5.467 1.00 0.39 C ATOM 481 O VAL A 33 -7.344 1.405 6.304 1.00 0.36 O ATOM 482 CB VAL A 33 -8.758 2.259 3.451 1.00 0.44 C ATOM 483 CG1 VAL A 33 -9.879 3.109 2.848 1.00 0.49 C ATOM 484 CG2 VAL A 33 -7.499 3.115 3.610 1.00 0.42 C ATOM 0 H VAL A 33 -8.776 3.424 6.044 1.00 0.40 H new ATOM 0 HA VAL A 33 -10.071 1.086 4.685 1.00 0.42 H new ATOM 0 HB VAL A 33 -8.539 1.418 2.793 1.00 0.44 H new ATOM 0 HG11 VAL A 33 -9.566 3.486 1.875 1.00 0.49 H new ATOM 0 HG12 VAL A 33 -10.775 2.499 2.730 1.00 0.49 H new ATOM 0 HG13 VAL A 33 -10.096 3.948 3.510 1.00 0.49 H new ATOM 0 HG21 VAL A 33 -7.187 3.487 2.634 1.00 0.42 H new ATOM 0 HG22 VAL A 33 -7.712 3.957 4.269 1.00 0.42 H new ATOM 0 HG23 VAL A 33 -6.700 2.511 4.040 1.00 0.42 H new ATOM 494 N LEU A 34 -7.860 -0.327 5.029 1.00 0.43 N ATOM 495 CA LEU A 34 -6.698 -1.126 5.585 1.00 0.44 C ATOM 496 C LEU A 34 -5.565 -1.089 4.564 1.00 0.43 C ATOM 497 O LEU A 34 -5.795 -1.310 3.395 1.00 0.47 O ATOM 498 CB LEU A 34 -7.067 -2.594 5.853 1.00 0.55 C ATOM 499 CG LEU A 34 -5.949 -3.298 6.652 1.00 0.62 C ATOM 500 CD1 LEU A 34 -6.552 -4.468 7.433 1.00 0.93 C ATOM 501 CD2 LEU A 34 -4.847 -3.841 5.721 1.00 0.73 C ATOM 0 H LEU A 34 -8.427 -0.805 4.329 1.00 0.43 H new ATOM 0 HA LEU A 34 -6.407 -0.680 6.536 1.00 0.44 H new ATOM 0 HB2 LEU A 34 -8.004 -2.644 6.407 1.00 0.55 H new ATOM 0 HB3 LEU A 34 -7.228 -3.113 4.908 1.00 0.55 H new ATOM 0 HG LEU A 34 -5.503 -2.568 7.327 1.00 0.62 H new ATOM 0 HD11 LEU A 34 -5.768 -4.970 8.000 1.00 0.93 H new ATOM 0 HD12 LEU A 34 -7.313 -4.094 8.119 1.00 0.93 H new ATOM 0 HD13 LEU A 34 -7.006 -5.174 6.738 1.00 0.93 H new ATOM 0 HD21 LEU A 34 -4.076 -4.330 6.316 1.00 0.73 H new ATOM 0 HD22 LEU A 34 -5.280 -4.560 5.026 1.00 0.73 H new ATOM 0 HD23 LEU A 34 -4.405 -3.017 5.161 1.00 0.73 H new ATOM 513 N VAL A 35 -4.345 -0.837 4.983 1.00 0.42 N ATOM 514 CA VAL A 35 -3.218 -0.819 3.998 1.00 0.43 C ATOM 515 C VAL A 35 -2.084 -1.733 4.455 1.00 0.44 C ATOM 516 O VAL A 35 -1.839 -1.884 5.632 1.00 0.46 O ATOM 517 CB VAL A 35 -2.700 0.624 3.839 1.00 0.47 C ATOM 518 CG1 VAL A 35 -3.839 1.522 3.360 1.00 0.46 C ATOM 519 CG2 VAL A 35 -2.184 1.181 5.176 1.00 0.52 C ATOM 0 H VAL A 35 -4.085 -0.646 5.951 1.00 0.42 H new ATOM 0 HA VAL A 35 -3.584 -1.184 3.039 1.00 0.43 H new ATOM 0 HB VAL A 35 -1.883 0.609 3.117 1.00 0.47 H new ATOM 0 HG11 VAL A 35 -3.474 2.543 3.247 1.00 0.46 H new ATOM 0 HG12 VAL A 35 -4.209 1.160 2.400 1.00 0.46 H new ATOM 0 HG13 VAL A 35 -4.648 1.504 4.090 1.00 0.46 H new ATOM 0 HG21 VAL A 35 -1.825 2.200 5.031 1.00 0.52 H new ATOM 0 HG22 VAL A 35 -2.993 1.181 5.907 1.00 0.52 H new ATOM 0 HG23 VAL A 35 -1.367 0.557 5.539 1.00 0.52 H new ATOM 529 N THR A 36 -1.356 -2.303 3.518 1.00 0.45 N ATOM 530 CA THR A 36 -0.192 -3.153 3.918 1.00 0.48 C ATOM 531 C THR A 36 0.994 -2.998 2.947 1.00 0.48 C ATOM 532 O THR A 36 0.824 -2.742 1.771 1.00 0.48 O ATOM 533 CB THR A 36 -0.636 -4.617 3.981 1.00 0.56 C ATOM 534 OG1 THR A 36 0.337 -5.375 4.686 1.00 0.63 O ATOM 535 CG2 THR A 36 -0.801 -5.169 2.567 1.00 0.60 C ATOM 0 H THR A 36 -1.516 -2.217 2.514 1.00 0.45 H new ATOM 0 HA THR A 36 0.150 -2.824 4.899 1.00 0.48 H new ATOM 0 HB THR A 36 -1.592 -4.684 4.500 1.00 0.56 H new ATOM 0 HG1 THR A 36 0.872 -4.778 5.249 1.00 0.63 H new ATOM 0 HG21 THR A 36 -1.117 -6.211 2.618 1.00 0.60 H new ATOM 0 HG22 THR A 36 -1.553 -4.587 2.035 1.00 0.60 H new ATOM 0 HG23 THR A 36 0.150 -5.104 2.038 1.00 0.60 H new ATOM 543 N GLY A 37 2.198 -3.190 3.445 1.00 0.52 N ATOM 544 CA GLY A 37 3.422 -3.106 2.590 1.00 0.55 C ATOM 545 C GLY A 37 4.595 -3.729 3.373 1.00 0.70 C ATOM 546 O GLY A 37 4.498 -3.896 4.568 1.00 0.84 O ATOM 0 H GLY A 37 2.382 -3.405 4.425 1.00 0.52 H new ATOM 0 HA2 GLY A 37 3.267 -3.636 1.650 1.00 0.55 H new ATOM 0 HA3 GLY A 37 3.640 -2.068 2.338 1.00 0.55 H new ATOM 550 N PRO A 38 5.704 -4.063 2.759 1.00 0.74 N ATOM 551 CA PRO A 38 6.848 -4.608 3.534 1.00 0.93 C ATOM 552 C PRO A 38 7.391 -3.529 4.473 1.00 0.99 C ATOM 553 O PRO A 38 7.730 -2.446 4.036 1.00 0.94 O ATOM 554 CB PRO A 38 7.896 -4.984 2.489 1.00 0.94 C ATOM 555 CG PRO A 38 7.244 -4.827 1.155 1.00 0.82 C ATOM 556 CD PRO A 38 5.990 -3.969 1.334 1.00 0.69 C ATOM 0 HA PRO A 38 6.567 -5.464 4.148 1.00 0.93 H new ATOM 0 HB2 PRO A 38 8.772 -4.341 2.570 1.00 0.94 H new ATOM 0 HB3 PRO A 38 8.238 -6.009 2.635 1.00 0.94 H new ATOM 0 HG2 PRO A 38 7.929 -4.356 0.450 1.00 0.82 H new ATOM 0 HG3 PRO A 38 6.982 -5.801 0.743 1.00 0.82 H new ATOM 0 HD2 PRO A 38 6.164 -2.937 1.028 1.00 0.69 H new ATOM 0 HD3 PRO A 38 5.160 -4.343 0.734 1.00 0.69 H new ATOM 564 N LYS A 39 7.473 -3.779 5.746 1.00 1.20 N ATOM 565 CA LYS A 39 7.989 -2.712 6.649 1.00 1.37 C ATOM 566 C LYS A 39 9.429 -2.307 6.271 1.00 1.39 C ATOM 567 O LYS A 39 9.801 -1.160 6.298 1.00 1.45 O ATOM 568 CB LYS A 39 7.991 -3.231 8.088 1.00 1.66 C ATOM 569 CG LYS A 39 8.356 -2.093 9.046 1.00 2.17 C ATOM 570 CD LYS A 39 8.413 -2.624 10.479 1.00 2.45 C ATOM 571 CE LYS A 39 8.626 -1.460 11.449 1.00 3.15 C ATOM 572 NZ LYS A 39 9.884 -1.675 12.215 1.00 3.44 N ATOM 0 H LYS A 39 7.212 -4.656 6.196 1.00 1.20 H new ATOM 0 HA LYS A 39 7.342 -1.840 6.550 1.00 1.37 H new ATOM 0 HB2 LYS A 39 7.010 -3.632 8.342 1.00 1.66 H new ATOM 0 HB3 LYS A 39 8.705 -4.048 8.189 1.00 1.66 H new ATOM 0 HG2 LYS A 39 9.319 -1.665 8.768 1.00 2.17 H new ATOM 0 HG3 LYS A 39 7.619 -1.293 8.973 1.00 2.17 H new ATOM 0 HD2 LYS A 39 7.488 -3.148 10.721 1.00 2.45 H new ATOM 0 HD3 LYS A 39 9.223 -3.346 10.578 1.00 2.45 H new ATOM 0 HE2 LYS A 39 8.679 -0.520 10.900 1.00 3.15 H new ATOM 0 HE3 LYS A 39 7.780 -1.383 12.132 1.00 3.15 H new ATOM 0 HZ1 LYS A 39 10.029 -0.884 12.874 1.00 3.44 H new ATOM 0 HZ2 LYS A 39 9.817 -2.564 12.751 1.00 3.44 H new ATOM 0 HZ3 LYS A 39 10.687 -1.728 11.556 1.00 3.44 H new ATOM 586 N ASP A 40 10.253 -3.270 5.997 1.00 1.42 N ATOM 587 CA ASP A 40 11.695 -2.991 5.691 1.00 1.48 C ATOM 588 C ASP A 40 11.906 -2.152 4.425 1.00 1.35 C ATOM 589 O ASP A 40 12.828 -1.366 4.336 1.00 1.42 O ATOM 590 CB ASP A 40 12.428 -4.324 5.524 1.00 1.59 C ATOM 591 CG ASP A 40 12.457 -5.065 6.864 1.00 1.79 C ATOM 592 OD1 ASP A 40 12.149 -4.444 7.867 1.00 2.27 O ATOM 593 OD2 ASP A 40 12.787 -6.239 6.861 1.00 2.01 O ATOM 0 H ASP A 40 9.995 -4.256 5.969 1.00 1.42 H new ATOM 0 HA ASP A 40 12.088 -2.409 6.525 1.00 1.48 H new ATOM 0 HB2 ASP A 40 11.929 -4.933 4.771 1.00 1.59 H new ATOM 0 HB3 ASP A 40 13.444 -4.150 5.171 1.00 1.59 H new ATOM 598 N ILE A 41 11.113 -2.381 3.426 1.00 1.20 N ATOM 599 CA ILE A 41 11.313 -1.678 2.124 1.00 1.13 C ATOM 600 C ILE A 41 10.474 -0.408 1.945 1.00 1.03 C ATOM 601 O ILE A 41 10.976 0.699 1.977 1.00 1.27 O ATOM 602 CB ILE A 41 11.001 -2.649 0.997 1.00 1.10 C ATOM 603 CG1 ILE A 41 11.947 -3.849 1.106 1.00 1.29 C ATOM 604 CG2 ILE A 41 11.207 -1.938 -0.345 1.00 1.11 C ATOM 605 CD1 ILE A 41 11.541 -4.904 0.086 1.00 2.05 C ATOM 0 H ILE A 41 10.326 -3.029 3.449 1.00 1.20 H new ATOM 0 HA ILE A 41 12.352 -1.349 2.108 1.00 1.13 H new ATOM 0 HB ILE A 41 9.969 -2.993 1.065 1.00 1.10 H new ATOM 0 HG12 ILE A 41 12.975 -3.533 0.930 1.00 1.29 H new ATOM 0 HG13 ILE A 41 11.909 -4.266 2.112 1.00 1.29 H new ATOM 0 HG21 ILE A 41 10.985 -2.627 -1.160 1.00 1.11 H new ATOM 0 HG22 ILE A 41 10.541 -1.077 -0.407 1.00 1.11 H new ATOM 0 HG23 ILE A 41 12.241 -1.603 -0.424 1.00 1.11 H new ATOM 0 HD11 ILE A 41 12.212 -5.760 0.161 1.00 2.05 H new ATOM 0 HD12 ILE A 41 10.519 -5.226 0.283 1.00 2.05 H new ATOM 0 HD13 ILE A 41 11.601 -4.482 -0.917 1.00 2.05 H new ATOM 617 N THR A 42 9.200 -0.577 1.763 1.00 0.78 N ATOM 618 CA THR A 42 8.291 0.586 1.584 1.00 0.75 C ATOM 619 C THR A 42 8.158 1.347 2.913 1.00 0.90 C ATOM 620 O THR A 42 8.048 2.557 2.963 1.00 1.07 O ATOM 621 CB THR A 42 6.939 0.073 1.124 1.00 0.56 C ATOM 622 OG1 THR A 42 7.121 -0.765 -0.009 1.00 1.03 O ATOM 623 CG2 THR A 42 6.076 1.260 0.718 1.00 1.10 C ATOM 0 H THR A 42 8.740 -1.487 1.730 1.00 0.78 H new ATOM 0 HA THR A 42 8.692 1.271 0.837 1.00 0.75 H new ATOM 0 HB THR A 42 6.461 -0.485 1.929 1.00 0.56 H new ATOM 0 HG1 THR A 42 6.251 -1.101 -0.310 1.00 1.03 H new ATOM 0 HG21 THR A 42 5.101 0.904 0.385 1.00 1.10 H new ATOM 0 HG22 THR A 42 5.947 1.925 1.572 1.00 1.10 H new ATOM 0 HG23 THR A 42 6.561 1.802 -0.094 1.00 1.10 H new ATOM 631 N GLY A 43 8.168 0.602 3.980 1.00 0.93 N ATOM 632 CA GLY A 43 8.040 1.186 5.351 1.00 1.12 C ATOM 633 C GLY A 43 6.637 0.974 5.948 1.00 0.97 C ATOM 634 O GLY A 43 6.470 1.078 7.147 1.00 1.10 O ATOM 0 H GLY A 43 8.262 -0.414 3.963 1.00 0.93 H new ATOM 0 HA2 GLY A 43 8.784 0.734 6.007 1.00 1.12 H new ATOM 0 HA3 GLY A 43 8.258 2.253 5.311 1.00 1.12 H new ATOM 638 N VAL A 44 5.624 0.674 5.169 1.00 0.78 N ATOM 639 CA VAL A 44 4.268 0.468 5.796 1.00 0.70 C ATOM 640 C VAL A 44 4.123 -1.017 6.101 1.00 0.72 C ATOM 641 O VAL A 44 4.220 -1.812 5.203 1.00 0.80 O ATOM 642 CB VAL A 44 3.166 0.877 4.776 1.00 0.61 C ATOM 643 CG1 VAL A 44 3.759 0.898 3.379 1.00 0.79 C ATOM 644 CG2 VAL A 44 1.977 -0.093 4.813 1.00 1.06 C ATOM 0 H VAL A 44 5.667 0.564 4.156 1.00 0.78 H new ATOM 0 HA VAL A 44 4.168 1.067 6.701 1.00 0.70 H new ATOM 0 HB VAL A 44 2.801 1.868 5.047 1.00 0.61 H new ATOM 0 HG11 VAL A 44 2.990 1.184 2.662 1.00 0.79 H new ATOM 0 HG12 VAL A 44 4.576 1.618 3.341 1.00 0.79 H new ATOM 0 HG13 VAL A 44 4.137 -0.093 3.129 1.00 0.79 H new ATOM 0 HG21 VAL A 44 1.227 0.223 4.088 1.00 1.06 H new ATOM 0 HG22 VAL A 44 2.319 -1.098 4.566 1.00 1.06 H new ATOM 0 HG23 VAL A 44 1.539 -0.094 5.811 1.00 1.06 H new ATOM 654 N LYS A 45 3.852 -1.425 7.325 1.00 0.80 N ATOM 655 CA LYS A 45 3.668 -2.893 7.544 1.00 0.91 C ATOM 656 C LYS A 45 2.192 -3.176 7.311 1.00 0.78 C ATOM 657 O LYS A 45 1.789 -3.591 6.249 1.00 0.83 O ATOM 658 CB LYS A 45 4.047 -3.256 8.987 1.00 1.14 C ATOM 659 CG LYS A 45 4.013 -4.777 9.155 1.00 1.87 C ATOM 660 CD LYS A 45 4.329 -5.139 10.608 1.00 2.04 C ATOM 661 CE LYS A 45 4.445 -6.659 10.741 1.00 2.84 C ATOM 662 NZ LYS A 45 5.598 -7.141 9.927 1.00 3.49 N ATOM 0 H LYS A 45 3.754 -0.830 8.147 1.00 0.80 H new ATOM 0 HA LYS A 45 4.297 -3.479 6.874 1.00 0.91 H new ATOM 0 HB2 LYS A 45 5.042 -2.876 9.220 1.00 1.14 H new ATOM 0 HB3 LYS A 45 3.354 -2.786 9.686 1.00 1.14 H new ATOM 0 HG2 LYS A 45 3.031 -5.162 8.879 1.00 1.87 H new ATOM 0 HG3 LYS A 45 4.738 -5.243 8.487 1.00 1.87 H new ATOM 0 HD2 LYS A 45 5.260 -4.664 10.918 1.00 2.04 H new ATOM 0 HD3 LYS A 45 3.545 -4.764 11.266 1.00 2.04 H new ATOM 0 HE2 LYS A 45 4.584 -6.934 11.787 1.00 2.84 H new ATOM 0 HE3 LYS A 45 3.524 -7.136 10.405 1.00 2.84 H new ATOM 0 HZ1 LYS A 45 5.946 -8.040 10.317 1.00 3.49 H new ATOM 0 HZ2 LYS A 45 5.292 -7.285 8.943 1.00 3.49 H new ATOM 0 HZ3 LYS A 45 6.360 -6.434 9.952 1.00 3.49 H new ATOM 676 N ARG A 46 1.384 -2.887 8.291 1.00 0.67 N ATOM 677 CA ARG A 46 -0.082 -3.047 8.148 1.00 0.59 C ATOM 678 C ARG A 46 -0.743 -2.055 9.082 1.00 0.54 C ATOM 679 O ARG A 46 -0.571 -2.142 10.281 1.00 0.59 O ATOM 680 CB ARG A 46 -0.505 -4.445 8.581 1.00 0.62 C ATOM 681 CG ARG A 46 -2.007 -4.628 8.332 1.00 0.62 C ATOM 682 CD ARG A 46 -2.423 -5.989 8.865 1.00 0.73 C ATOM 683 NE ARG A 46 -3.847 -6.266 8.516 1.00 1.39 N ATOM 684 CZ ARG A 46 -4.152 -6.873 7.399 1.00 1.89 C ATOM 685 NH1 ARG A 46 -3.217 -7.198 6.546 1.00 2.10 N ATOM 686 NH2 ARG A 46 -5.399 -7.142 7.128 1.00 2.78 N ATOM 0 H ARG A 46 1.687 -2.540 9.201 1.00 0.67 H new ATOM 0 HA ARG A 46 -0.369 -2.886 7.109 1.00 0.59 H new ATOM 0 HB2 ARG A 46 0.060 -5.195 8.027 1.00 0.62 H new ATOM 0 HB3 ARG A 46 -0.280 -4.593 9.637 1.00 0.62 H new ATOM 0 HG2 ARG A 46 -2.572 -3.839 8.828 1.00 0.62 H new ATOM 0 HG3 ARG A 46 -2.226 -4.556 7.267 1.00 0.62 H new ATOM 0 HD2 ARG A 46 -1.781 -6.764 8.446 1.00 0.73 H new ATOM 0 HD3 ARG A 46 -2.294 -6.019 9.947 1.00 0.73 H new ATOM 0 HE ARG A 46 -4.589 -5.979 9.154 1.00 1.39 H new ATOM 0 HH11 ARG A 46 -2.242 -6.978 6.750 1.00 2.10 H new ATOM 0 HH12 ARG A 46 -3.462 -7.671 5.676 1.00 2.10 H new ATOM 0 HH21 ARG A 46 -6.132 -6.879 7.786 1.00 2.78 H new ATOM 0 HH22 ARG A 46 -5.641 -7.615 6.258 1.00 2.78 H new ATOM 700 N ARG A 47 -1.512 -1.132 8.596 1.00 0.50 N ATOM 701 CA ARG A 47 -2.168 -0.202 9.534 1.00 0.51 C ATOM 702 C ARG A 47 -3.429 0.384 8.889 1.00 0.43 C ATOM 703 O ARG A 47 -3.605 0.327 7.691 1.00 0.40 O ATOM 704 CB ARG A 47 -1.182 0.902 9.931 1.00 0.65 C ATOM 705 CG ARG A 47 -0.766 1.691 8.688 1.00 0.69 C ATOM 706 CD ARG A 47 0.366 2.655 9.048 1.00 0.88 C ATOM 707 NE ARG A 47 -0.087 3.577 10.129 1.00 1.51 N ATOM 708 CZ ARG A 47 0.516 4.721 10.304 1.00 2.07 C ATOM 709 NH1 ARG A 47 1.521 5.053 9.541 1.00 2.26 N ATOM 710 NH2 ARG A 47 0.116 5.534 11.245 1.00 3.10 N ATOM 0 H ARG A 47 -1.711 -0.984 7.607 1.00 0.50 H new ATOM 0 HA ARG A 47 -2.468 -0.736 10.436 1.00 0.51 H new ATOM 0 HB2 ARG A 47 -1.642 1.569 10.660 1.00 0.65 H new ATOM 0 HB3 ARG A 47 -0.304 0.465 10.407 1.00 0.65 H new ATOM 0 HG2 ARG A 47 -0.440 1.008 7.903 1.00 0.69 H new ATOM 0 HG3 ARG A 47 -1.618 2.245 8.294 1.00 0.69 H new ATOM 0 HD2 ARG A 47 1.242 2.096 9.376 1.00 0.88 H new ATOM 0 HD3 ARG A 47 0.663 3.227 8.169 1.00 0.88 H new ATOM 0 HE ARG A 47 -0.867 3.314 10.731 1.00 1.51 H new ATOM 0 HH11 ARG A 47 1.836 4.418 8.807 1.00 2.26 H new ATOM 0 HH12 ARG A 47 1.992 5.947 9.678 1.00 2.26 H new ATOM 0 HH21 ARG A 47 -0.668 5.275 11.844 1.00 3.10 H new ATOM 0 HH22 ARG A 47 0.588 6.428 11.381 1.00 3.10 H new ATOM 724 N ARG A 48 -4.302 0.951 9.672 1.00 0.46 N ATOM 725 CA ARG A 48 -5.547 1.557 9.109 1.00 0.40 C ATOM 726 C ARG A 48 -5.320 3.061 8.893 1.00 0.40 C ATOM 727 O ARG A 48 -4.750 3.707 9.750 1.00 0.49 O ATOM 728 CB ARG A 48 -6.656 1.355 10.138 1.00 0.44 C ATOM 729 CG ARG A 48 -8.001 1.766 9.557 1.00 1.30 C ATOM 730 CD ARG A 48 -9.083 1.517 10.617 1.00 1.32 C ATOM 731 NE ARG A 48 -8.920 2.493 11.732 1.00 1.71 N ATOM 732 CZ ARG A 48 -9.860 2.620 12.629 1.00 2.17 C ATOM 733 NH1 ARG A 48 -10.926 1.868 12.568 1.00 2.17 N ATOM 734 NH2 ARG A 48 -9.733 3.495 13.589 1.00 3.00 N ATOM 0 H ARG A 48 -4.209 1.023 10.685 1.00 0.46 H new ATOM 0 HA ARG A 48 -5.813 1.096 8.158 1.00 0.40 H new ATOM 0 HB2 ARG A 48 -6.690 0.310 10.445 1.00 0.44 H new ATOM 0 HB3 ARG A 48 -6.444 1.943 11.031 1.00 0.44 H new ATOM 0 HG2 ARG A 48 -7.985 2.818 9.271 1.00 1.30 H new ATOM 0 HG3 ARG A 48 -8.215 1.193 8.655 1.00 1.30 H new ATOM 0 HD2 ARG A 48 -10.073 1.619 10.172 1.00 1.32 H new ATOM 0 HD3 ARG A 48 -9.007 0.498 10.997 1.00 1.32 H new ATOM 0 HE ARG A 48 -8.075 3.061 11.794 1.00 1.71 H new ATOM 0 HH11 ARG A 48 -11.024 1.182 11.820 1.00 2.17 H new ATOM 0 HH12 ARG A 48 -11.661 1.967 13.269 1.00 2.17 H new ATOM 0 HH21 ARG A 48 -8.899 4.080 13.639 1.00 3.00 H new ATOM 0 HH22 ARG A 48 -10.468 3.594 14.290 1.00 3.00 H new ATOM 748 N VAL A 49 -5.768 3.648 7.791 1.00 0.35 N ATOM 749 CA VAL A 49 -5.562 5.126 7.616 1.00 0.41 C ATOM 750 C VAL A 49 -6.876 5.820 7.213 1.00 0.38 C ATOM 751 O VAL A 49 -7.741 5.247 6.581 1.00 0.37 O ATOM 752 CB VAL A 49 -4.513 5.384 6.529 1.00 0.50 C ATOM 753 CG1 VAL A 49 -3.224 4.636 6.874 1.00 1.63 C ATOM 754 CG2 VAL A 49 -5.036 4.910 5.173 1.00 1.04 C ATOM 0 H VAL A 49 -6.254 3.177 7.028 1.00 0.35 H new ATOM 0 HA VAL A 49 -5.221 5.532 8.568 1.00 0.41 H new ATOM 0 HB VAL A 49 -4.310 6.454 6.476 1.00 0.50 H new ATOM 0 HG11 VAL A 49 -2.478 4.820 6.100 1.00 1.63 H new ATOM 0 HG12 VAL A 49 -2.845 4.987 7.834 1.00 1.63 H new ATOM 0 HG13 VAL A 49 -3.429 3.567 6.934 1.00 1.63 H new ATOM 0 HG21 VAL A 49 -4.284 5.098 4.407 1.00 1.04 H new ATOM 0 HG22 VAL A 49 -5.249 3.842 5.218 1.00 1.04 H new ATOM 0 HG23 VAL A 49 -5.949 5.452 4.925 1.00 1.04 H new ATOM 764 N ASN A 50 -7.004 7.062 7.595 1.00 0.39 N ATOM 765 CA ASN A 50 -8.228 7.870 7.283 1.00 0.42 C ATOM 766 C ASN A 50 -8.131 8.537 5.896 1.00 0.42 C ATOM 767 O ASN A 50 -7.107 8.506 5.242 1.00 0.39 O ATOM 768 CB ASN A 50 -8.385 8.941 8.364 1.00 0.48 C ATOM 769 CG ASN A 50 -7.304 10.008 8.193 1.00 1.38 C ATOM 770 OD1 ASN A 50 -6.366 9.825 7.442 1.00 2.28 O ATOM 771 ND2 ASN A 50 -7.383 11.111 8.883 1.00 1.90 N ATOM 0 H ASN A 50 -6.294 7.567 8.125 1.00 0.39 H new ATOM 0 HA ASN A 50 -9.094 7.208 7.266 1.00 0.42 H new ATOM 0 HB2 ASN A 50 -9.373 9.397 8.297 1.00 0.48 H new ATOM 0 HB3 ASN A 50 -8.309 8.488 9.352 1.00 0.48 H new ATOM 0 HD21 ASN A 50 -6.657 11.822 8.793 1.00 1.90 H new ATOM 0 HD22 ASN A 50 -8.171 11.263 9.513 1.00 1.90 H new ATOM 778 N ILE A 51 -9.209 9.146 5.462 1.00 0.51 N ATOM 779 CA ILE A 51 -9.249 9.845 4.127 1.00 0.56 C ATOM 780 C ILE A 51 -8.155 10.916 4.041 1.00 0.57 C ATOM 781 O ILE A 51 -7.686 11.253 2.972 1.00 0.59 O ATOM 782 CB ILE A 51 -10.595 10.542 3.943 1.00 0.73 C ATOM 783 CG1 ILE A 51 -11.710 9.500 3.980 1.00 0.81 C ATOM 784 CG2 ILE A 51 -10.597 11.261 2.588 1.00 0.81 C ATOM 785 CD1 ILE A 51 -13.080 10.193 3.967 1.00 1.41 C ATOM 0 H ILE A 51 -10.084 9.191 5.985 1.00 0.51 H new ATOM 0 HA ILE A 51 -9.095 9.092 3.354 1.00 0.56 H new ATOM 0 HB ILE A 51 -10.757 11.266 4.741 1.00 0.73 H new ATOM 0 HG12 ILE A 51 -11.623 8.833 3.123 1.00 0.81 H new ATOM 0 HG13 ILE A 51 -11.614 8.884 4.874 1.00 0.81 H new ATOM 0 HG21 ILE A 51 -11.554 11.763 2.444 1.00 0.81 H new ATOM 0 HG22 ILE A 51 -9.794 11.997 2.566 1.00 0.81 H new ATOM 0 HG23 ILE A 51 -10.445 10.534 1.790 1.00 0.81 H new ATOM 0 HD11 ILE A 51 -13.868 9.441 3.994 1.00 1.41 H new ATOM 0 HD12 ILE A 51 -13.168 10.842 4.838 1.00 1.41 H new ATOM 0 HD13 ILE A 51 -13.178 10.789 3.060 1.00 1.41 H new ATOM 797 N LEU A 52 -7.779 11.482 5.147 1.00 0.61 N ATOM 798 CA LEU A 52 -6.753 12.563 5.138 1.00 0.70 C ATOM 799 C LEU A 52 -5.511 12.065 4.409 1.00 0.64 C ATOM 800 O LEU A 52 -4.844 12.830 3.740 1.00 0.75 O ATOM 801 CB LEU A 52 -6.403 12.965 6.575 1.00 0.76 C ATOM 802 CG LEU A 52 -7.667 13.434 7.309 1.00 0.85 C ATOM 803 CD1 LEU A 52 -7.297 13.892 8.721 1.00 1.25 C ATOM 804 CD2 LEU A 52 -8.292 14.616 6.563 1.00 1.08 C ATOM 0 H LEU A 52 -8.141 11.242 6.070 1.00 0.61 H new ATOM 0 HA LEU A 52 -7.147 13.439 4.622 1.00 0.70 H new ATOM 0 HB2 LEU A 52 -5.959 12.119 7.101 1.00 0.76 H new ATOM 0 HB3 LEU A 52 -5.659 13.762 6.568 1.00 0.76 H new ATOM 0 HG LEU A 52 -8.376 12.607 7.355 1.00 0.85 H new ATOM 0 HD11 LEU A 52 -8.194 14.225 9.242 1.00 1.25 H new ATOM 0 HD12 LEU A 52 -6.847 13.062 9.266 1.00 1.25 H new ATOM 0 HD13 LEU A 52 -6.585 14.715 8.662 1.00 1.25 H new ATOM 0 HD21 LEU A 52 -9.189 14.945 7.088 1.00 1.08 H new ATOM 0 HD22 LEU A 52 -7.576 15.437 6.518 1.00 1.08 H new ATOM 0 HD23 LEU A 52 -8.556 14.309 5.551 1.00 1.08 H new ATOM 816 N HIS A 53 -5.254 10.784 4.438 1.00 0.52 N ATOM 817 CA HIS A 53 -4.119 10.252 3.630 1.00 0.55 C ATOM 818 C HIS A 53 -4.735 9.321 2.589 1.00 0.45 C ATOM 819 O HIS A 53 -4.851 8.132 2.812 1.00 0.50 O ATOM 820 CB HIS A 53 -3.196 9.441 4.543 1.00 0.70 C ATOM 821 CG HIS A 53 -2.579 10.350 5.571 1.00 0.84 C ATOM 822 ND1 HIS A 53 -2.017 9.862 6.743 1.00 1.50 N ATOM 823 CD2 HIS A 53 -2.434 11.714 5.625 1.00 1.35 C ATOM 824 CE1 HIS A 53 -1.567 10.916 7.447 1.00 1.35 C ATOM 825 NE2 HIS A 53 -1.797 12.066 6.809 1.00 1.20 N ATOM 0 H HIS A 53 -5.773 10.092 4.978 1.00 0.52 H new ATOM 0 HA HIS A 53 -3.545 11.053 3.164 1.00 0.55 H new ATOM 0 HB2 HIS A 53 -3.759 8.648 5.035 1.00 0.70 H new ATOM 0 HB3 HIS A 53 -2.416 8.959 3.953 1.00 0.70 H new ATOM 0 HD2 HIS A 53 -2.764 12.407 4.865 1.00 1.35 H new ATOM 0 HE1 HIS A 53 -1.080 10.841 8.408 1.00 1.35 H new ATOM 0 HE2 HIS A 53 -1.556 13.006 7.124 1.00 1.20 H new ATOM 834 N LEU A 54 -5.115 9.840 1.444 1.00 0.42 N ATOM 835 CA LEU A 54 -5.705 8.988 0.376 1.00 0.43 C ATOM 836 C LEU A 54 -4.898 9.152 -0.902 1.00 0.36 C ATOM 837 O LEU A 54 -4.699 10.251 -1.380 1.00 0.39 O ATOM 838 CB LEU A 54 -7.149 9.431 0.138 1.00 0.59 C ATOM 839 CG LEU A 54 -7.836 8.484 -0.851 1.00 0.92 C ATOM 840 CD1 LEU A 54 -8.097 7.128 -0.186 1.00 1.56 C ATOM 841 CD2 LEU A 54 -9.164 9.104 -1.279 1.00 1.29 C ATOM 0 H LEU A 54 -5.038 10.829 1.207 1.00 0.42 H new ATOM 0 HA LEU A 54 -5.687 7.940 0.677 1.00 0.43 H new ATOM 0 HB2 LEU A 54 -7.694 9.441 1.082 1.00 0.59 H new ATOM 0 HB3 LEU A 54 -7.165 10.449 -0.251 1.00 0.59 H new ATOM 0 HG LEU A 54 -7.194 8.333 -1.719 1.00 0.92 H new ATOM 0 HD11 LEU A 54 -8.586 6.462 -0.897 1.00 1.56 H new ATOM 0 HD12 LEU A 54 -7.150 6.690 0.130 1.00 1.56 H new ATOM 0 HD13 LEU A 54 -8.741 7.267 0.683 1.00 1.56 H new ATOM 0 HD21 LEU A 54 -9.665 8.440 -1.984 1.00 1.29 H new ATOM 0 HD22 LEU A 54 -9.797 9.248 -0.404 1.00 1.29 H new ATOM 0 HD23 LEU A 54 -8.979 10.067 -1.756 1.00 1.29 H new ATOM 853 N GLU A 55 -4.489 8.085 -1.503 1.00 0.39 N ATOM 854 CA GLU A 55 -3.770 8.199 -2.791 1.00 0.38 C ATOM 855 C GLU A 55 -4.020 6.913 -3.574 1.00 0.43 C ATOM 856 O GLU A 55 -3.341 5.940 -3.361 1.00 0.50 O ATOM 857 CB GLU A 55 -2.287 8.381 -2.545 1.00 0.44 C ATOM 858 CG GLU A 55 -1.729 9.403 -3.535 1.00 0.85 C ATOM 859 CD GLU A 55 -2.127 10.810 -3.090 1.00 1.55 C ATOM 860 OE1 GLU A 55 -1.943 11.116 -1.923 1.00 2.28 O ATOM 861 OE2 GLU A 55 -2.612 11.558 -3.922 1.00 2.20 O ATOM 0 H GLU A 55 -4.621 7.134 -1.159 1.00 0.39 H new ATOM 0 HA GLU A 55 -4.126 9.063 -3.353 1.00 0.38 H new ATOM 0 HB2 GLU A 55 -2.116 8.718 -1.523 1.00 0.44 H new ATOM 0 HB3 GLU A 55 -1.769 7.429 -2.658 1.00 0.44 H new ATOM 0 HG2 GLU A 55 -0.643 9.320 -3.588 1.00 0.85 H new ATOM 0 HG3 GLU A 55 -2.113 9.204 -4.536 1.00 0.85 H new ATOM 868 N PRO A 56 -4.984 6.869 -4.444 1.00 0.46 N ATOM 869 CA PRO A 56 -5.282 5.635 -5.205 1.00 0.52 C ATOM 870 C PRO A 56 -4.469 5.531 -6.493 1.00 0.50 C ATOM 871 O PRO A 56 -4.097 6.527 -7.081 1.00 0.53 O ATOM 872 CB PRO A 56 -6.767 5.790 -5.527 1.00 0.66 C ATOM 873 CG PRO A 56 -7.004 7.267 -5.615 1.00 0.69 C ATOM 874 CD PRO A 56 -5.901 7.959 -4.811 1.00 0.56 C ATOM 0 HA PRO A 56 -5.034 4.734 -4.644 1.00 0.52 H new ATOM 0 HB2 PRO A 56 -7.019 5.295 -6.465 1.00 0.66 H new ATOM 0 HB3 PRO A 56 -7.386 5.338 -4.752 1.00 0.66 H new ATOM 0 HG2 PRO A 56 -6.986 7.597 -6.654 1.00 0.69 H new ATOM 0 HG3 PRO A 56 -7.986 7.522 -5.217 1.00 0.69 H new ATOM 0 HD2 PRO A 56 -5.396 8.722 -5.403 1.00 0.56 H new ATOM 0 HD3 PRO A 56 -6.303 8.455 -3.928 1.00 0.56 H new ATOM 882 N THR A 57 -4.236 4.328 -6.961 1.00 0.56 N ATOM 883 CA THR A 57 -3.499 4.138 -8.243 1.00 0.63 C ATOM 884 C THR A 57 -4.439 3.459 -9.246 1.00 0.66 C ATOM 885 O THR A 57 -5.487 2.952 -8.896 1.00 0.71 O ATOM 886 CB THR A 57 -2.243 3.284 -8.030 1.00 0.78 C ATOM 887 OG1 THR A 57 -2.617 1.967 -7.654 1.00 0.88 O ATOM 888 CG2 THR A 57 -1.348 3.917 -6.959 1.00 0.78 C ATOM 0 H THR A 57 -4.529 3.465 -6.503 1.00 0.56 H new ATOM 0 HA THR A 57 -3.179 5.107 -8.626 1.00 0.63 H new ATOM 0 HB THR A 57 -1.680 3.236 -8.962 1.00 0.78 H new ATOM 0 HG1 THR A 57 -3.055 1.989 -6.778 1.00 0.88 H new ATOM 0 HG21 THR A 57 -0.460 3.301 -6.817 1.00 0.78 H new ATOM 0 HG22 THR A 57 -1.050 4.916 -7.278 1.00 0.78 H new ATOM 0 HG23 THR A 57 -1.897 3.984 -6.020 1.00 0.78 H new ATOM 896 N ASP A 58 -4.090 3.502 -10.496 1.00 0.71 N ATOM 897 CA ASP A 58 -4.955 2.930 -11.572 1.00 0.78 C ATOM 898 C ASP A 58 -4.641 1.458 -11.817 1.00 0.87 C ATOM 899 O ASP A 58 -4.572 1.009 -12.944 1.00 1.59 O ATOM 900 CB ASP A 58 -4.788 3.726 -12.870 1.00 0.88 C ATOM 901 CG ASP A 58 -3.364 3.559 -13.414 1.00 1.77 C ATOM 902 OD1 ASP A 58 -2.663 2.677 -12.946 1.00 2.16 O ATOM 903 OD2 ASP A 58 -3.001 4.316 -14.299 1.00 2.57 O ATOM 0 H ASP A 58 -3.221 3.919 -10.831 1.00 0.71 H new ATOM 0 HA ASP A 58 -5.990 3.003 -11.238 1.00 0.78 H new ATOM 0 HB2 ASP A 58 -5.511 3.384 -13.611 1.00 0.88 H new ATOM 0 HB3 ASP A 58 -4.994 4.781 -12.688 1.00 0.88 H new ATOM 908 N LYS A 59 -4.384 0.717 -10.787 1.00 0.69 N ATOM 909 CA LYS A 59 -3.997 -0.701 -10.922 1.00 0.63 C ATOM 910 C LYS A 59 -5.221 -1.616 -11.047 1.00 0.92 C ATOM 911 O LYS A 59 -6.329 -1.187 -11.296 1.00 1.56 O ATOM 912 CB LYS A 59 -3.127 -1.142 -9.763 1.00 0.62 C ATOM 913 CG LYS A 59 -1.830 -0.343 -9.792 1.00 1.23 C ATOM 914 CD LYS A 59 -0.922 -0.905 -8.714 1.00 1.26 C ATOM 915 CE LYS A 59 -0.344 -2.257 -9.171 1.00 2.14 C ATOM 916 NZ LYS A 59 1.129 -2.272 -8.944 1.00 2.90 N ATOM 0 H LYS A 59 -4.428 1.049 -9.824 1.00 0.69 H new ATOM 0 HA LYS A 59 -3.420 -0.787 -11.842 1.00 0.63 H new ATOM 0 HB2 LYS A 59 -3.647 -0.983 -8.818 1.00 0.62 H new ATOM 0 HB3 LYS A 59 -2.915 -2.209 -9.835 1.00 0.62 H new ATOM 0 HG2 LYS A 59 -1.355 -0.418 -10.770 1.00 1.23 H new ATOM 0 HG3 LYS A 59 -2.027 0.714 -9.614 1.00 1.23 H new ATOM 0 HD2 LYS A 59 -0.113 -0.205 -8.506 1.00 1.26 H new ATOM 0 HD3 LYS A 59 -1.480 -1.033 -7.786 1.00 1.26 H new ATOM 0 HE2 LYS A 59 -0.816 -3.071 -8.620 1.00 2.14 H new ATOM 0 HE3 LYS A 59 -0.561 -2.419 -10.227 1.00 2.14 H new ATOM 0 HZ1 LYS A 59 1.616 -2.482 -9.839 1.00 2.90 H new ATOM 0 HZ2 LYS A 59 1.436 -1.342 -8.593 1.00 2.90 H new ATOM 0 HZ3 LYS A 59 1.365 -3.002 -8.242 1.00 2.90 H new ATOM 930 N LYS A 60 -4.983 -2.882 -10.898 1.00 0.91 N ATOM 931 CA LYS A 60 -6.016 -3.939 -11.009 1.00 1.21 C ATOM 932 C LYS A 60 -6.751 -4.051 -9.688 1.00 0.55 C ATOM 933 O LYS A 60 -6.195 -3.764 -8.661 1.00 1.43 O ATOM 934 CB LYS A 60 -5.293 -5.253 -11.249 1.00 2.34 C ATOM 935 CG LYS A 60 -6.314 -6.350 -11.524 1.00 2.82 C ATOM 936 CD LYS A 60 -5.603 -7.690 -11.726 1.00 3.96 C ATOM 937 CE LYS A 60 -6.623 -8.738 -12.173 1.00 4.45 C ATOM 938 NZ LYS A 60 -6.485 -9.962 -11.335 1.00 5.03 N ATOM 0 H LYS A 60 -4.054 -3.247 -10.690 1.00 0.91 H new ATOM 0 HA LYS A 60 -6.717 -3.709 -11.812 1.00 1.21 H new ATOM 0 HB2 LYS A 60 -4.611 -5.156 -12.093 1.00 2.34 H new ATOM 0 HB3 LYS A 60 -4.689 -5.513 -10.379 1.00 2.34 H new ATOM 0 HG2 LYS A 60 -7.014 -6.423 -10.692 1.00 2.82 H new ATOM 0 HG3 LYS A 60 -6.897 -6.101 -12.411 1.00 2.82 H new ATOM 0 HD2 LYS A 60 -4.816 -7.589 -12.474 1.00 3.96 H new ATOM 0 HD3 LYS A 60 -5.123 -8.004 -10.799 1.00 3.96 H new ATOM 0 HE2 LYS A 60 -7.633 -8.337 -12.085 1.00 4.45 H new ATOM 0 HE3 LYS A 60 -6.468 -8.985 -13.223 1.00 4.45 H new ATOM 0 HZ1 LYS A 60 -7.392 -10.471 -11.311 1.00 5.03 H new ATOM 0 HZ2 LYS A 60 -5.752 -10.579 -11.740 1.00 5.03 H new ATOM 0 HZ3 LYS A 60 -6.214 -9.692 -10.368 1.00 5.03 H new ATOM 952 N ILE A 61 -7.979 -4.515 -9.703 1.00 0.90 N ATOM 953 CA ILE A 61 -8.725 -4.701 -8.417 1.00 1.43 C ATOM 954 C ILE A 61 -9.039 -6.195 -8.208 1.00 0.99 C ATOM 955 O ILE A 61 -9.828 -6.767 -8.933 1.00 1.45 O ATOM 956 CB ILE A 61 -10.056 -3.967 -8.533 1.00 2.80 C ATOM 957 CG1 ILE A 61 -9.851 -2.498 -8.933 1.00 3.66 C ATOM 958 CG2 ILE A 61 -10.808 -4.030 -7.205 1.00 3.54 C ATOM 959 CD1 ILE A 61 -8.800 -1.840 -8.039 1.00 4.81 C ATOM 0 H ILE A 61 -8.494 -4.772 -10.545 1.00 0.90 H new ATOM 0 HA ILE A 61 -8.125 -4.324 -7.589 1.00 1.43 H new ATOM 0 HB ILE A 61 -10.640 -4.459 -9.311 1.00 2.80 H new ATOM 0 HG12 ILE A 61 -9.538 -2.439 -9.975 1.00 3.66 H new ATOM 0 HG13 ILE A 61 -10.795 -1.958 -8.853 1.00 3.66 H new ATOM 0 HG21 ILE A 61 -11.757 -3.503 -7.299 1.00 3.54 H new ATOM 0 HG22 ILE A 61 -10.996 -5.071 -6.942 1.00 3.54 H new ATOM 0 HG23 ILE A 61 -10.208 -3.561 -6.425 1.00 3.54 H new ATOM 0 HD11 ILE A 61 -8.668 -0.800 -8.337 1.00 4.81 H new ATOM 0 HD12 ILE A 61 -9.129 -1.881 -7.001 1.00 4.81 H new ATOM 0 HD13 ILE A 61 -7.853 -2.369 -8.141 1.00 4.81 H new ATOM 971 N ASP A 62 -8.513 -6.803 -7.165 1.00 1.05 N ATOM 972 CA ASP A 62 -8.893 -8.232 -6.882 1.00 0.82 C ATOM 973 C ASP A 62 -8.334 -8.762 -5.552 1.00 0.92 C ATOM 974 O ASP A 62 -7.314 -9.422 -5.561 1.00 1.22 O ATOM 975 CB ASP A 62 -8.374 -9.128 -7.995 1.00 1.33 C ATOM 976 CG ASP A 62 -8.891 -10.552 -7.787 1.00 1.56 C ATOM 977 OD1 ASP A 62 -9.694 -10.744 -6.889 1.00 2.06 O ATOM 978 OD2 ASP A 62 -8.475 -11.427 -8.529 1.00 2.14 O ATOM 0 H ASP A 62 -7.852 -6.384 -6.511 1.00 1.05 H new ATOM 0 HA ASP A 62 -9.981 -8.249 -6.820 1.00 0.82 H new ATOM 0 HB2 ASP A 62 -8.701 -8.749 -8.963 1.00 1.33 H new ATOM 0 HB3 ASP A 62 -7.284 -9.123 -8.002 1.00 1.33 H new ATOM 983 N ILE A 63 -8.986 -8.569 -4.430 1.00 0.75 N ATOM 984 CA ILE A 63 -8.472 -9.171 -3.150 1.00 0.87 C ATOM 985 C ILE A 63 -9.616 -9.876 -2.435 1.00 0.70 C ATOM 986 O ILE A 63 -10.769 -9.596 -2.692 1.00 0.66 O ATOM 987 CB ILE A 63 -7.865 -8.123 -2.216 1.00 1.06 C ATOM 988 CG1 ILE A 63 -8.924 -7.093 -1.774 1.00 0.94 C ATOM 989 CG2 ILE A 63 -6.696 -7.431 -2.909 1.00 1.72 C ATOM 990 CD1 ILE A 63 -9.608 -6.436 -2.974 1.00 1.64 C ATOM 0 H ILE A 63 -9.845 -8.026 -4.341 1.00 0.75 H new ATOM 0 HA ILE A 63 -7.683 -9.876 -3.411 1.00 0.87 H new ATOM 0 HB ILE A 63 -7.500 -8.625 -1.320 1.00 1.06 H new ATOM 0 HG12 ILE A 63 -9.672 -7.584 -1.152 1.00 0.94 H new ATOM 0 HG13 ILE A 63 -8.452 -6.327 -1.159 1.00 0.94 H new ATOM 0 HG21 ILE A 63 -6.266 -6.685 -2.240 1.00 1.72 H new ATOM 0 HG22 ILE A 63 -5.936 -8.169 -3.165 1.00 1.72 H new ATOM 0 HG23 ILE A 63 -7.049 -6.943 -3.818 1.00 1.72 H new ATOM 0 HD11 ILE A 63 -10.347 -5.717 -2.622 1.00 1.64 H new ATOM 0 HD12 ILE A 63 -8.863 -5.923 -3.582 1.00 1.64 H new ATOM 0 HD13 ILE A 63 -10.102 -7.200 -3.574 1.00 1.64 H new ATOM 1002 N GLN A 64 -9.339 -10.793 -1.544 1.00 0.71 N ATOM 1003 CA GLN A 64 -10.496 -11.450 -0.891 1.00 0.66 C ATOM 1004 C GLN A 64 -11.279 -10.398 -0.095 1.00 0.61 C ATOM 1005 O GLN A 64 -12.487 -10.389 -0.159 1.00 1.32 O ATOM 1006 CB GLN A 64 -9.989 -12.546 0.048 1.00 0.77 C ATOM 1007 CG GLN A 64 -9.294 -13.631 -0.776 1.00 1.23 C ATOM 1008 CD GLN A 64 -8.737 -14.707 0.157 1.00 1.77 C ATOM 1009 OE1 GLN A 64 -8.616 -14.493 1.346 1.00 2.17 O ATOM 1010 NE2 GLN A 64 -8.389 -15.863 -0.338 1.00 2.59 N ATOM 0 H GLN A 64 -8.410 -11.100 -1.255 1.00 0.71 H new ATOM 0 HA GLN A 64 -11.148 -11.897 -1.641 1.00 0.66 H new ATOM 0 HB2 GLN A 64 -9.296 -12.126 0.777 1.00 0.77 H new ATOM 0 HB3 GLN A 64 -10.820 -12.974 0.609 1.00 0.77 H new ATOM 0 HG2 GLN A 64 -9.999 -14.075 -1.479 1.00 1.23 H new ATOM 0 HG3 GLN A 64 -8.488 -13.194 -1.365 1.00 1.23 H new ATOM 0 HE21 GLN A 64 -8.491 -16.042 -1.337 1.00 2.59 H new ATOM 0 HE22 GLN A 64 -8.015 -16.588 0.274 1.00 2.59 H new ATOM 1019 N LYS A 65 -10.603 -9.532 0.665 1.00 0.80 N ATOM 1020 CA LYS A 65 -11.293 -8.473 1.501 1.00 0.78 C ATOM 1021 C LYS A 65 -11.356 -8.976 2.950 1.00 0.69 C ATOM 1022 O LYS A 65 -12.199 -9.787 3.277 1.00 0.82 O ATOM 1023 CB LYS A 65 -12.710 -8.156 1.006 1.00 1.04 C ATOM 1024 CG LYS A 65 -13.182 -6.844 1.640 1.00 1.72 C ATOM 1025 CD LYS A 65 -14.688 -6.668 1.406 1.00 1.99 C ATOM 1026 CE LYS A 65 -14.962 -6.403 -0.080 1.00 2.85 C ATOM 1027 NZ LYS A 65 -14.967 -7.695 -0.824 1.00 3.48 N ATOM 0 H LYS A 65 -9.586 -9.520 0.737 1.00 0.80 H new ATOM 0 HA LYS A 65 -10.719 -7.550 1.423 1.00 0.78 H new ATOM 0 HB2 LYS A 65 -12.719 -8.073 -0.081 1.00 1.04 H new ATOM 0 HB3 LYS A 65 -13.390 -8.966 1.269 1.00 1.04 H new ATOM 0 HG2 LYS A 65 -12.968 -6.848 2.709 1.00 1.72 H new ATOM 0 HG3 LYS A 65 -12.637 -6.004 1.209 1.00 1.72 H new ATOM 0 HD2 LYS A 65 -15.221 -7.562 1.728 1.00 1.99 H new ATOM 0 HD3 LYS A 65 -15.063 -5.839 2.007 1.00 1.99 H new ATOM 0 HE2 LYS A 65 -15.921 -5.899 -0.199 1.00 2.85 H new ATOM 0 HE3 LYS A 65 -14.200 -5.739 -0.488 1.00 2.85 H new ATOM 0 HZ1 LYS A 65 -14.094 -7.777 -1.382 1.00 3.48 H new ATOM 0 HZ2 LYS A 65 -15.022 -8.484 -0.149 1.00 3.48 H new ATOM 0 HZ3 LYS A 65 -15.789 -7.726 -1.460 1.00 3.48 H new ATOM 1041 N GLY A 66 -10.474 -8.541 3.831 1.00 0.59 N ATOM 1042 CA GLY A 66 -10.533 -9.062 5.234 1.00 0.60 C ATOM 1043 C GLY A 66 -9.661 -10.322 5.331 1.00 0.55 C ATOM 1044 O GLY A 66 -9.713 -11.061 6.295 1.00 0.64 O ATOM 0 H GLY A 66 -9.735 -7.864 3.641 1.00 0.59 H new ATOM 0 HA2 GLY A 66 -10.180 -8.304 5.933 1.00 0.60 H new ATOM 0 HA3 GLY A 66 -11.562 -9.293 5.508 1.00 0.60 H new ATOM 1048 N ALA A 67 -8.878 -10.572 4.318 1.00 0.50 N ATOM 1049 CA ALA A 67 -8.000 -11.785 4.290 1.00 0.56 C ATOM 1050 C ALA A 67 -7.048 -11.848 5.501 1.00 0.56 C ATOM 1051 O ALA A 67 -6.615 -10.841 6.023 1.00 0.54 O ATOM 1052 CB ALA A 67 -7.177 -11.769 3.004 1.00 0.62 C ATOM 0 H ALA A 67 -8.806 -9.978 3.492 1.00 0.50 H new ATOM 0 HA ALA A 67 -8.643 -12.664 4.333 1.00 0.56 H new ATOM 0 HB1 ALA A 67 -6.534 -12.648 2.973 1.00 0.62 H new ATOM 0 HB2 ALA A 67 -7.846 -11.778 2.144 1.00 0.62 H new ATOM 0 HB3 ALA A 67 -6.563 -10.869 2.976 1.00 0.62 H new ATOM 1058 N SER A 68 -6.709 -13.048 5.927 1.00 0.63 N ATOM 1059 CA SER A 68 -5.767 -13.221 7.083 1.00 0.65 C ATOM 1060 C SER A 68 -4.403 -12.675 6.656 1.00 0.60 C ATOM 1061 O SER A 68 -4.173 -12.459 5.483 1.00 0.56 O ATOM 1062 CB SER A 68 -5.640 -14.701 7.442 1.00 0.73 C ATOM 1063 OG SER A 68 -4.843 -15.354 6.466 1.00 0.73 O ATOM 0 H SER A 68 -7.048 -13.919 5.519 1.00 0.63 H new ATOM 0 HA SER A 68 -6.140 -12.688 7.958 1.00 0.65 H new ATOM 0 HB2 SER A 68 -5.189 -14.810 8.428 1.00 0.73 H new ATOM 0 HB3 SER A 68 -6.627 -15.161 7.490 1.00 0.73 H new ATOM 0 HG SER A 68 -4.758 -16.303 6.695 1.00 0.73 H new ATOM 1069 N ASP A 69 -3.489 -12.423 7.565 1.00 0.64 N ATOM 1070 CA ASP A 69 -2.185 -11.869 7.121 1.00 0.60 C ATOM 1071 C ASP A 69 -1.496 -12.798 6.127 1.00 0.57 C ATOM 1072 O ASP A 69 -0.953 -12.341 5.151 1.00 0.51 O ATOM 1073 CB ASP A 69 -1.282 -11.694 8.344 1.00 0.66 C ATOM 1074 CG ASP A 69 -1.853 -10.604 9.253 1.00 1.15 C ATOM 1075 OD1 ASP A 69 -2.744 -9.898 8.812 1.00 1.69 O ATOM 1076 OD2 ASP A 69 -1.390 -10.496 10.378 1.00 2.02 O ATOM 0 H ASP A 69 -3.591 -12.575 8.568 1.00 0.64 H new ATOM 0 HA ASP A 69 -2.365 -10.913 6.629 1.00 0.60 H new ATOM 0 HB2 ASP A 69 -1.207 -12.634 8.890 1.00 0.66 H new ATOM 0 HB3 ASP A 69 -0.273 -11.427 8.029 1.00 0.66 H new ATOM 1081 N GLU A 70 -1.490 -14.092 6.332 1.00 0.64 N ATOM 1082 CA GLU A 70 -0.777 -14.938 5.334 1.00 0.64 C ATOM 1083 C GLU A 70 -1.469 -14.792 3.985 1.00 0.59 C ATOM 1084 O GLU A 70 -0.838 -14.694 2.951 1.00 0.57 O ATOM 1085 CB GLU A 70 -0.834 -16.399 5.789 1.00 0.75 C ATOM 1086 CG GLU A 70 -0.068 -16.550 7.107 1.00 1.34 C ATOM 1087 CD GLU A 70 -0.067 -18.019 7.535 1.00 1.66 C ATOM 1088 OE1 GLU A 70 -0.775 -18.797 6.917 1.00 2.30 O ATOM 1089 OE2 GLU A 70 0.641 -18.341 8.475 1.00 1.89 O ATOM 0 H GLU A 70 -1.928 -14.581 7.113 1.00 0.64 H new ATOM 0 HA GLU A 70 0.264 -14.626 5.247 1.00 0.64 H new ATOM 0 HB2 GLU A 70 -1.870 -16.711 5.920 1.00 0.75 H new ATOM 0 HB3 GLU A 70 -0.400 -17.046 5.027 1.00 0.75 H new ATOM 0 HG2 GLU A 70 0.956 -16.195 6.987 1.00 1.34 H new ATOM 0 HG3 GLU A 70 -0.530 -15.936 7.880 1.00 1.34 H new ATOM 1096 N GLU A 71 -2.767 -14.739 4.001 1.00 0.59 N ATOM 1097 CA GLU A 71 -3.506 -14.556 2.734 1.00 0.57 C ATOM 1098 C GLU A 71 -3.187 -13.170 2.170 1.00 0.51 C ATOM 1099 O GLU A 71 -3.048 -12.990 0.979 1.00 0.51 O ATOM 1100 CB GLU A 71 -5.005 -14.698 3.001 1.00 0.64 C ATOM 1101 CG GLU A 71 -5.306 -16.134 3.434 1.00 0.90 C ATOM 1102 CD GLU A 71 -6.812 -16.302 3.647 1.00 1.19 C ATOM 1103 OE1 GLU A 71 -7.510 -15.301 3.618 1.00 1.50 O ATOM 1104 OE2 GLU A 71 -7.240 -17.427 3.841 1.00 1.96 O ATOM 0 H GLU A 71 -3.345 -14.815 4.838 1.00 0.59 H new ATOM 0 HA GLU A 71 -3.208 -15.312 2.007 1.00 0.57 H new ATOM 0 HB2 GLU A 71 -5.316 -13.999 3.777 1.00 0.64 H new ATOM 0 HB3 GLU A 71 -5.571 -14.450 2.103 1.00 0.64 H new ATOM 0 HG2 GLU A 71 -4.956 -16.834 2.676 1.00 0.90 H new ATOM 0 HG3 GLU A 71 -4.770 -16.367 4.354 1.00 0.90 H new ATOM 1111 N VAL A 72 -3.031 -12.191 3.030 1.00 0.49 N ATOM 1112 CA VAL A 72 -2.682 -10.824 2.545 1.00 0.46 C ATOM 1113 C VAL A 72 -1.305 -10.842 1.895 1.00 0.41 C ATOM 1114 O VAL A 72 -1.081 -10.248 0.860 1.00 0.43 O ATOM 1115 CB VAL A 72 -2.651 -9.849 3.724 1.00 0.48 C ATOM 1116 CG1 VAL A 72 -2.122 -8.496 3.250 1.00 0.46 C ATOM 1117 CG2 VAL A 72 -4.059 -9.665 4.301 1.00 0.59 C ATOM 0 H VAL A 72 -3.130 -12.282 4.041 1.00 0.49 H new ATOM 0 HA VAL A 72 -3.431 -10.508 1.819 1.00 0.46 H new ATOM 0 HB VAL A 72 -1.999 -10.254 4.498 1.00 0.48 H new ATOM 0 HG11 VAL A 72 -2.099 -7.800 4.089 1.00 0.46 H new ATOM 0 HG12 VAL A 72 -1.114 -8.618 2.852 1.00 0.46 H new ATOM 0 HG13 VAL A 72 -2.774 -8.103 2.470 1.00 0.46 H new ATOM 0 HG21 VAL A 72 -4.021 -8.969 5.139 1.00 0.59 H new ATOM 0 HG22 VAL A 72 -4.719 -9.269 3.530 1.00 0.59 H new ATOM 0 HG23 VAL A 72 -4.440 -10.627 4.645 1.00 0.59 H new ATOM 1127 N LYS A 73 -0.378 -11.521 2.508 1.00 0.40 N ATOM 1128 CA LYS A 73 0.983 -11.570 1.922 1.00 0.43 C ATOM 1129 C LYS A 73 0.927 -12.216 0.532 1.00 0.47 C ATOM 1130 O LYS A 73 1.565 -11.766 -0.399 1.00 0.51 O ATOM 1131 CB LYS A 73 1.896 -12.367 2.857 1.00 0.48 C ATOM 1132 CG LYS A 73 2.037 -11.626 4.188 1.00 0.50 C ATOM 1133 CD LYS A 73 3.038 -12.373 5.066 1.00 0.59 C ATOM 1134 CE LYS A 73 3.090 -11.709 6.434 1.00 0.76 C ATOM 1135 NZ LYS A 73 3.872 -12.561 7.374 1.00 0.79 N ATOM 0 H LYS A 73 -0.503 -12.037 3.379 1.00 0.40 H new ATOM 0 HA LYS A 73 1.380 -10.561 1.811 1.00 0.43 H new ATOM 0 HB2 LYS A 73 1.483 -13.362 3.025 1.00 0.48 H new ATOM 0 HB3 LYS A 73 2.876 -12.502 2.398 1.00 0.48 H new ATOM 0 HG2 LYS A 73 2.375 -10.604 4.017 1.00 0.50 H new ATOM 0 HG3 LYS A 73 1.071 -11.562 4.688 1.00 0.50 H new ATOM 0 HD2 LYS A 73 2.745 -13.418 5.166 1.00 0.59 H new ATOM 0 HD3 LYS A 73 4.025 -12.362 4.604 1.00 0.59 H new ATOM 0 HE2 LYS A 73 3.548 -10.723 6.354 1.00 0.76 H new ATOM 0 HE3 LYS A 73 2.080 -11.561 6.816 1.00 0.76 H new ATOM 0 HZ1 LYS A 73 3.906 -12.106 8.308 1.00 0.79 H new ATOM 0 HZ2 LYS A 73 3.417 -13.492 7.459 1.00 0.79 H new ATOM 0 HZ3 LYS A 73 4.839 -12.681 7.011 1.00 0.79 H new ATOM 1149 N LYS A 74 0.167 -13.274 0.387 1.00 0.49 N ATOM 1150 CA LYS A 74 0.075 -13.946 -0.940 1.00 0.57 C ATOM 1151 C LYS A 74 -0.474 -12.974 -1.987 1.00 0.58 C ATOM 1152 O LYS A 74 0.024 -12.872 -3.090 1.00 0.63 O ATOM 1153 CB LYS A 74 -0.858 -15.141 -0.804 1.00 0.63 C ATOM 1154 CG LYS A 74 -0.857 -15.934 -2.102 1.00 1.16 C ATOM 1155 CD LYS A 74 -1.828 -17.101 -1.964 1.00 1.19 C ATOM 1156 CE LYS A 74 -1.737 -18.000 -3.201 1.00 2.01 C ATOM 1157 NZ LYS A 74 -2.308 -19.339 -2.888 1.00 2.33 N ATOM 0 H LYS A 74 -0.390 -13.698 1.129 1.00 0.49 H new ATOM 0 HA LYS A 74 1.064 -14.273 -1.261 1.00 0.57 H new ATOM 0 HB2 LYS A 74 -0.537 -15.775 0.022 1.00 0.63 H new ATOM 0 HB3 LYS A 74 -1.868 -14.803 -0.572 1.00 0.63 H new ATOM 0 HG2 LYS A 74 -1.150 -15.295 -2.935 1.00 1.16 H new ATOM 0 HG3 LYS A 74 0.146 -16.301 -2.320 1.00 1.16 H new ATOM 0 HD2 LYS A 74 -1.595 -17.676 -1.067 1.00 1.19 H new ATOM 0 HD3 LYS A 74 -2.846 -16.728 -1.848 1.00 1.19 H new ATOM 0 HE2 LYS A 74 -2.278 -17.548 -4.032 1.00 2.01 H new ATOM 0 HE3 LYS A 74 -0.698 -18.101 -3.514 1.00 2.01 H new ATOM 0 HZ1 LYS A 74 -2.246 -19.948 -3.729 1.00 2.33 H new ATOM 0 HZ2 LYS A 74 -1.773 -19.770 -2.107 1.00 2.33 H new ATOM 0 HZ3 LYS A 74 -3.305 -19.235 -2.609 1.00 2.33 H new ATOM 1171 N LYS A 75 -1.484 -12.238 -1.620 1.00 0.55 N ATOM 1172 CA LYS A 75 -2.076 -11.236 -2.546 1.00 0.59 C ATOM 1173 C LYS A 75 -1.042 -10.188 -2.935 1.00 0.55 C ATOM 1174 O LYS A 75 -1.080 -9.636 -4.017 1.00 0.59 O ATOM 1175 CB LYS A 75 -3.309 -10.595 -1.914 1.00 0.62 C ATOM 1176 CG LYS A 75 -4.392 -11.675 -1.755 1.00 1.06 C ATOM 1177 CD LYS A 75 -5.731 -11.044 -1.362 1.00 1.32 C ATOM 1178 CE LYS A 75 -5.682 -10.481 0.057 1.00 1.88 C ATOM 1179 NZ LYS A 75 -5.333 -11.570 1.009 1.00 2.62 N ATOM 0 H LYS A 75 -1.930 -12.289 -0.704 1.00 0.55 H new ATOM 0 HA LYS A 75 -2.391 -11.743 -3.458 1.00 0.59 H new ATOM 0 HB2 LYS A 75 -3.058 -10.165 -0.945 1.00 0.62 H new ATOM 0 HB3 LYS A 75 -3.675 -9.780 -2.539 1.00 0.62 H new ATOM 0 HG2 LYS A 75 -4.504 -12.225 -2.689 1.00 1.06 H new ATOM 0 HG3 LYS A 75 -4.086 -12.395 -0.996 1.00 1.06 H new ATOM 0 HD2 LYS A 75 -5.980 -10.248 -2.063 1.00 1.32 H new ATOM 0 HD3 LYS A 75 -6.522 -11.790 -1.433 1.00 1.32 H new ATOM 0 HE2 LYS A 75 -4.945 -9.680 0.117 1.00 1.88 H new ATOM 0 HE3 LYS A 75 -6.646 -10.047 0.321 1.00 1.88 H new ATOM 0 HZ1 LYS A 75 -5.316 -11.192 1.978 1.00 2.62 H new ATOM 0 HZ2 LYS A 75 -6.043 -12.327 0.945 1.00 2.62 H new ATOM 0 HZ3 LYS A 75 -4.396 -11.953 0.770 1.00 2.62 H new ATOM 1193 N LEU A 76 -0.133 -9.890 -2.054 1.00 0.51 N ATOM 1194 CA LEU A 76 0.883 -8.856 -2.368 1.00 0.52 C ATOM 1195 C LEU A 76 1.579 -9.237 -3.668 1.00 0.54 C ATOM 1196 O LEU A 76 1.911 -8.412 -4.473 1.00 0.59 O ATOM 1197 CB LEU A 76 1.905 -8.801 -1.232 1.00 0.58 C ATOM 1198 CG LEU A 76 2.889 -7.656 -1.484 1.00 0.76 C ATOM 1199 CD1 LEU A 76 2.167 -6.318 -1.329 1.00 1.30 C ATOM 1200 CD2 LEU A 76 4.028 -7.737 -0.467 1.00 1.28 C ATOM 0 H LEU A 76 -0.050 -10.318 -1.132 1.00 0.51 H new ATOM 0 HA LEU A 76 0.411 -7.879 -2.476 1.00 0.52 H new ATOM 0 HB2 LEU A 76 1.397 -8.655 -0.279 1.00 0.58 H new ATOM 0 HB3 LEU A 76 2.442 -9.747 -1.165 1.00 0.58 H new ATOM 0 HG LEU A 76 3.291 -7.737 -2.494 1.00 0.76 H new ATOM 0 HD11 LEU A 76 2.868 -5.503 -1.509 1.00 1.30 H new ATOM 0 HD12 LEU A 76 1.351 -6.259 -2.049 1.00 1.30 H new ATOM 0 HD13 LEU A 76 1.766 -6.236 -0.319 1.00 1.30 H new ATOM 0 HD21 LEU A 76 4.731 -6.923 -0.643 1.00 1.28 H new ATOM 0 HD22 LEU A 76 3.622 -7.654 0.541 1.00 1.28 H new ATOM 0 HD23 LEU A 76 4.544 -8.691 -0.573 1.00 1.28 H new ATOM 1212 N GLU A 77 1.811 -10.475 -3.878 1.00 0.54 N ATOM 1213 CA GLU A 77 2.508 -10.874 -5.128 1.00 0.62 C ATOM 1214 C GLU A 77 1.696 -10.391 -6.333 1.00 0.66 C ATOM 1215 O GLU A 77 2.247 -10.058 -7.363 1.00 0.72 O ATOM 1216 CB GLU A 77 2.627 -12.388 -5.183 1.00 0.67 C ATOM 1217 CG GLU A 77 3.512 -12.876 -4.034 1.00 0.65 C ATOM 1218 CD GLU A 77 3.685 -14.393 -4.130 1.00 1.04 C ATOM 1219 OE1 GLU A 77 3.002 -14.998 -4.940 1.00 1.47 O ATOM 1220 OE2 GLU A 77 4.496 -14.924 -3.390 1.00 1.70 O ATOM 0 H GLU A 77 1.556 -11.238 -3.251 1.00 0.54 H new ATOM 0 HA GLU A 77 3.503 -10.429 -5.148 1.00 0.62 H new ATOM 0 HB2 GLU A 77 1.639 -12.843 -5.113 1.00 0.67 H new ATOM 0 HB3 GLU A 77 3.052 -12.695 -6.139 1.00 0.67 H new ATOM 0 HG2 GLU A 77 4.484 -12.385 -4.076 1.00 0.65 H new ATOM 0 HG3 GLU A 77 3.063 -12.611 -3.077 1.00 0.65 H new ATOM 1227 N GLU A 78 0.398 -10.325 -6.217 1.00 0.65 N ATOM 1228 CA GLU A 78 -0.405 -9.833 -7.370 1.00 0.71 C ATOM 1229 C GLU A 78 0.127 -8.443 -7.700 1.00 0.67 C ATOM 1230 O GLU A 78 0.186 -8.020 -8.838 1.00 0.72 O ATOM 1231 CB GLU A 78 -1.879 -9.741 -6.960 1.00 0.74 C ATOM 1232 CG GLU A 78 -2.728 -9.387 -8.178 1.00 1.38 C ATOM 1233 CD GLU A 78 -4.184 -9.200 -7.748 1.00 1.60 C ATOM 1234 OE1 GLU A 78 -4.451 -9.323 -6.564 1.00 1.85 O ATOM 1235 OE2 GLU A 78 -5.008 -8.940 -8.608 1.00 2.29 O ATOM 0 H GLU A 78 -0.134 -10.586 -5.387 1.00 0.65 H new ATOM 0 HA GLU A 78 -0.329 -10.500 -8.229 1.00 0.71 H new ATOM 0 HB2 GLU A 78 -2.209 -10.690 -6.537 1.00 0.74 H new ATOM 0 HB3 GLU A 78 -2.005 -8.986 -6.184 1.00 0.74 H new ATOM 0 HG2 GLU A 78 -2.355 -8.474 -8.642 1.00 1.38 H new ATOM 0 HG3 GLU A 78 -2.657 -10.177 -8.926 1.00 1.38 H new ATOM 1242 N SER A 79 0.500 -7.741 -6.673 1.00 0.62 N ATOM 1243 CA SER A 79 1.028 -6.358 -6.825 1.00 0.62 C ATOM 1244 C SER A 79 2.375 -6.454 -7.571 1.00 0.68 C ATOM 1245 O SER A 79 2.873 -5.486 -8.110 1.00 0.74 O ATOM 1246 CB SER A 79 1.198 -5.754 -5.411 1.00 0.59 C ATOM 1247 OG SER A 79 2.306 -6.348 -4.777 1.00 1.41 O ATOM 0 H SER A 79 0.461 -8.074 -5.710 1.00 0.62 H new ATOM 0 HA SER A 79 0.356 -5.715 -7.394 1.00 0.62 H new ATOM 0 HB2 SER A 79 1.340 -4.675 -5.479 1.00 0.59 H new ATOM 0 HB3 SER A 79 0.296 -5.920 -4.822 1.00 0.59 H new ATOM 0 HG SER A 79 2.192 -7.321 -4.762 1.00 1.41 H new ATOM 1253 N ASN A 80 2.974 -7.629 -7.559 1.00 0.72 N ATOM 1254 CA ASN A 80 4.312 -7.861 -8.211 1.00 0.85 C ATOM 1255 C ASN A 80 5.300 -6.940 -7.528 1.00 0.84 C ATOM 1256 O ASN A 80 6.183 -6.354 -8.120 1.00 0.95 O ATOM 1257 CB ASN A 80 4.258 -7.532 -9.710 1.00 0.98 C ATOM 1258 CG ASN A 80 3.185 -8.383 -10.395 1.00 1.05 C ATOM 1259 OD1 ASN A 80 3.034 -9.550 -10.095 1.00 1.40 O ATOM 1260 ND2 ASN A 80 2.434 -7.841 -11.315 1.00 1.53 N ATOM 0 H ASN A 80 2.580 -8.457 -7.113 1.00 0.72 H new ATOM 0 HA ASN A 80 4.602 -8.907 -8.112 1.00 0.85 H new ATOM 0 HB2 ASN A 80 4.039 -6.474 -9.851 1.00 0.98 H new ATOM 0 HB3 ASN A 80 5.229 -7.720 -10.167 1.00 0.98 H new ATOM 0 HD21 ASN A 80 1.719 -8.398 -11.783 1.00 1.53 H new ATOM 0 HD22 ASN A 80 2.562 -6.861 -11.566 1.00 1.53 H new ATOM 1267 N LEU A 81 5.096 -6.817 -6.266 1.00 0.80 N ATOM 1268 CA LEU A 81 5.931 -5.942 -5.416 1.00 0.88 C ATOM 1269 C LEU A 81 7.347 -6.483 -5.284 1.00 1.17 C ATOM 1270 O LEU A 81 8.284 -5.744 -5.055 1.00 1.25 O ATOM 1271 CB LEU A 81 5.286 -5.792 -4.058 1.00 1.13 C ATOM 1272 CG LEU A 81 5.999 -4.708 -3.239 1.00 1.49 C ATOM 1273 CD1 LEU A 81 5.536 -3.318 -3.690 1.00 1.87 C ATOM 1274 CD2 LEU A 81 5.690 -4.870 -1.760 1.00 2.46 C ATOM 0 H LEU A 81 4.355 -7.305 -5.762 1.00 0.80 H new ATOM 0 HA LEU A 81 6.002 -4.963 -5.890 1.00 0.88 H new ATOM 0 HB2 LEU A 81 4.234 -5.533 -4.176 1.00 1.13 H new ATOM 0 HB3 LEU A 81 5.323 -6.742 -3.525 1.00 1.13 H new ATOM 0 HG LEU A 81 7.072 -4.812 -3.400 1.00 1.49 H new ATOM 0 HD11 LEU A 81 6.048 -2.556 -3.103 1.00 1.87 H new ATOM 0 HD12 LEU A 81 5.771 -3.181 -4.746 1.00 1.87 H new ATOM 0 HD13 LEU A 81 4.460 -3.227 -3.543 1.00 1.87 H new ATOM 0 HD21 LEU A 81 6.204 -4.093 -1.194 1.00 2.46 H new ATOM 0 HD22 LEU A 81 4.615 -4.784 -1.601 1.00 2.46 H new ATOM 0 HD23 LEU A 81 6.029 -5.849 -1.423 1.00 2.46 H new ATOM 1286 N THR A 82 7.502 -7.770 -5.341 1.00 1.41 N ATOM 1287 CA THR A 82 8.834 -8.382 -5.113 1.00 1.79 C ATOM 1288 C THR A 82 9.915 -7.594 -5.839 1.00 1.79 C ATOM 1289 O THR A 82 11.019 -7.475 -5.347 1.00 1.97 O ATOM 1290 CB THR A 82 8.815 -9.804 -5.665 1.00 2.11 C ATOM 1291 OG1 THR A 82 7.727 -10.518 -5.094 1.00 2.13 O ATOM 1292 CG2 THR A 82 10.128 -10.507 -5.322 1.00 2.54 C ATOM 0 H THR A 82 6.753 -8.433 -5.538 1.00 1.41 H new ATOM 0 HA THR A 82 9.049 -8.380 -4.045 1.00 1.79 H new ATOM 0 HB THR A 82 8.699 -9.771 -6.748 1.00 2.11 H new ATOM 0 HG1 THR A 82 7.713 -11.431 -5.449 1.00 2.13 H new ATOM 0 HG21 THR A 82 10.111 -11.523 -5.718 1.00 2.54 H new ATOM 0 HG22 THR A 82 10.960 -9.959 -5.764 1.00 2.54 H new ATOM 0 HG23 THR A 82 10.250 -10.541 -4.239 1.00 2.54 H new ATOM 1300 N GLU A 83 9.645 -7.062 -6.989 1.00 1.69 N ATOM 1301 CA GLU A 83 10.726 -6.307 -7.666 1.00 1.83 C ATOM 1302 C GLU A 83 10.181 -5.274 -8.647 1.00 1.73 C ATOM 1303 O GLU A 83 10.870 -4.326 -8.970 1.00 1.85 O ATOM 1304 CB GLU A 83 11.614 -7.308 -8.411 1.00 2.32 C ATOM 1305 CG GLU A 83 12.836 -6.606 -9.013 1.00 2.54 C ATOM 1306 CD GLU A 83 13.646 -7.615 -9.829 1.00 2.96 C ATOM 1307 OE1 GLU A 83 13.229 -8.759 -9.902 1.00 3.53 O ATOM 1308 OE2 GLU A 83 14.671 -7.227 -10.366 1.00 3.13 O ATOM 0 H GLU A 83 8.752 -7.112 -7.479 1.00 1.69 H new ATOM 0 HA GLU A 83 11.294 -5.763 -6.912 1.00 1.83 H new ATOM 0 HB2 GLU A 83 11.939 -8.092 -7.727 1.00 2.32 H new ATOM 0 HB3 GLU A 83 11.041 -7.792 -9.202 1.00 2.32 H new ATOM 0 HG2 GLU A 83 12.519 -5.778 -9.648 1.00 2.54 H new ATOM 0 HG3 GLU A 83 13.453 -6.182 -8.221 1.00 2.54 H new ATOM 1315 N TYR A 84 8.993 -5.411 -9.166 1.00 1.58 N ATOM 1316 CA TYR A 84 8.575 -4.372 -10.145 1.00 1.68 C ATOM 1317 C TYR A 84 8.581 -3.040 -9.423 1.00 1.53 C ATOM 1318 O TYR A 84 9.013 -2.012 -9.905 1.00 1.85 O ATOM 1319 CB TYR A 84 7.145 -4.671 -10.565 1.00 1.54 C ATOM 1320 CG TYR A 84 6.735 -3.752 -11.691 1.00 1.85 C ATOM 1321 CD1 TYR A 84 7.077 -4.076 -13.010 1.00 2.10 C ATOM 1322 CD2 TYR A 84 6.024 -2.579 -11.421 1.00 2.50 C ATOM 1323 CE1 TYR A 84 6.704 -3.227 -14.058 1.00 2.45 C ATOM 1324 CE2 TYR A 84 5.651 -1.730 -12.469 1.00 2.86 C ATOM 1325 CZ TYR A 84 5.992 -2.054 -13.789 1.00 2.63 C ATOM 1326 OH TYR A 84 5.623 -1.219 -14.824 1.00 3.06 O ATOM 0 H TYR A 84 8.324 -6.156 -8.969 1.00 1.58 H new ATOM 0 HA TYR A 84 9.237 -4.356 -11.011 1.00 1.68 H new ATOM 0 HB2 TYR A 84 7.060 -5.710 -10.883 1.00 1.54 H new ATOM 0 HB3 TYR A 84 6.473 -4.542 -9.716 1.00 1.54 H new ATOM 0 HD1 TYR A 84 7.628 -4.981 -13.218 1.00 2.10 H new ATOM 0 HD2 TYR A 84 5.763 -2.328 -10.404 1.00 2.50 H new ATOM 0 HE1 TYR A 84 6.966 -3.478 -15.075 1.00 2.45 H new ATOM 0 HE2 TYR A 84 5.100 -0.825 -12.260 1.00 2.86 H new ATOM 0 HH TYR A 84 5.134 -0.449 -14.465 1.00 3.06 H new ATOM 1336 N MET A 85 7.975 -3.098 -8.295 1.00 1.09 N ATOM 1337 CA MET A 85 7.769 -1.875 -7.497 1.00 1.02 C ATOM 1338 C MET A 85 8.970 -1.522 -6.631 1.00 0.89 C ATOM 1339 O MET A 85 10.066 -1.329 -7.118 1.00 1.10 O ATOM 1340 CB MET A 85 6.531 -2.022 -6.655 1.00 0.95 C ATOM 1341 CG MET A 85 5.323 -2.167 -7.591 1.00 1.24 C ATOM 1342 SD MET A 85 3.788 -2.103 -6.645 1.00 1.93 S ATOM 1343 CE MET A 85 3.786 -0.320 -6.315 1.00 2.45 C ATOM 0 H MET A 85 7.605 -3.953 -7.879 1.00 1.09 H new ATOM 0 HA MET A 85 7.643 -1.048 -8.196 1.00 1.02 H new ATOM 0 HB2 MET A 85 6.615 -2.894 -6.006 1.00 0.95 H new ATOM 0 HB3 MET A 85 6.407 -1.154 -6.008 1.00 0.95 H new ATOM 0 HG2 MET A 85 5.333 -1.371 -8.335 1.00 1.24 H new ATOM 0 HG3 MET A 85 5.385 -3.111 -8.133 1.00 1.24 H new ATOM 0 HE1 MET A 85 3.802 -0.149 -5.239 1.00 2.45 H new ATOM 0 HE2 MET A 85 4.667 0.135 -6.768 1.00 2.45 H new ATOM 0 HE3 MET A 85 2.888 0.128 -6.740 1.00 2.45 H new ATOM 1353 N LYS A 86 8.770 -1.413 -5.347 1.00 0.69 N ATOM 1354 CA LYS A 86 9.883 -1.030 -4.436 1.00 0.66 C ATOM 1355 C LYS A 86 10.628 0.166 -5.053 1.00 0.77 C ATOM 1356 O LYS A 86 11.731 0.497 -4.663 1.00 0.83 O ATOM 1357 CB LYS A 86 10.825 -2.218 -4.257 1.00 0.81 C ATOM 1358 CG LYS A 86 10.058 -3.347 -3.580 1.00 0.90 C ATOM 1359 CD LYS A 86 11.003 -4.525 -3.320 1.00 1.28 C ATOM 1360 CE LYS A 86 10.224 -5.718 -2.754 1.00 1.33 C ATOM 1361 NZ LYS A 86 8.980 -5.253 -2.074 1.00 1.49 N ATOM 0 H LYS A 86 7.874 -1.575 -4.886 1.00 0.69 H new ATOM 0 HA LYS A 86 9.496 -0.748 -3.457 1.00 0.66 H new ATOM 0 HB2 LYS A 86 11.208 -2.547 -5.223 1.00 0.81 H new ATOM 0 HB3 LYS A 86 11.686 -1.931 -3.654 1.00 0.81 H new ATOM 0 HG2 LYS A 86 9.629 -2.997 -2.641 1.00 0.90 H new ATOM 0 HG3 LYS A 86 9.228 -3.666 -4.210 1.00 0.90 H new ATOM 0 HD2 LYS A 86 11.499 -4.813 -4.247 1.00 1.28 H new ATOM 0 HD3 LYS A 86 11.783 -4.226 -2.620 1.00 1.28 H new ATOM 0 HE2 LYS A 86 9.970 -6.409 -3.558 1.00 1.33 H new ATOM 0 HE3 LYS A 86 10.848 -6.266 -2.048 1.00 1.33 H new ATOM 0 HZ1 LYS A 86 8.438 -6.076 -1.741 1.00 1.49 H new ATOM 0 HZ2 LYS A 86 9.231 -4.652 -1.263 1.00 1.49 H new ATOM 0 HZ3 LYS A 86 8.402 -4.706 -2.744 1.00 1.49 H new ATOM 1375 N GLU A 87 10.023 0.805 -6.030 1.00 0.95 N ATOM 1376 CA GLU A 87 10.627 1.976 -6.734 1.00 1.19 C ATOM 1377 C GLU A 87 10.754 3.230 -5.875 1.00 1.21 C ATOM 1378 O GLU A 87 11.570 4.074 -6.181 1.00 1.60 O ATOM 1379 CB GLU A 87 9.802 2.335 -7.977 1.00 1.64 C ATOM 1380 CG GLU A 87 9.869 1.203 -9.005 1.00 1.85 C ATOM 1381 CD GLU A 87 9.104 1.612 -10.265 1.00 2.10 C ATOM 1382 OE1 GLU A 87 8.437 2.632 -10.225 1.00 2.30 O ATOM 1383 OE2 GLU A 87 9.201 0.899 -11.251 1.00 2.69 O ATOM 0 H GLU A 87 9.099 0.548 -6.378 1.00 0.95 H new ATOM 0 HA GLU A 87 11.635 1.656 -6.997 1.00 1.19 H new ATOM 0 HB2 GLU A 87 8.765 2.517 -7.694 1.00 1.64 H new ATOM 0 HB3 GLU A 87 10.179 3.258 -8.418 1.00 1.64 H new ATOM 0 HG2 GLU A 87 10.908 0.983 -9.253 1.00 1.85 H new ATOM 0 HG3 GLU A 87 9.441 0.292 -8.587 1.00 1.85 H new