USER MOD reduce.3.24.130724 H: found=0, std=0, add=485, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 486 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 26 MET CE :methyl 145:sc= -1.2 (180deg=-3.16!) USER MOD Set 1.2: A 54 MET CE :methyl -162:sc= -1.06 (180deg=-1.58!) USER MOD Set 2.1: A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 36 MET CE :methyl 167:sc= -0.0873 (180deg=-0.557) USER MOD Set 3.1: A 3 MET CE :methyl -104:sc=-0.00468 (180deg=0) USER MOD Set 3.2: A 9 THR OG1 : rot -77:sc= -0.265 USER MOD Set 3.3: A 19 HIS : no HD1:sc= 1.84 K(o=1.6,f=-16!) USER MOD Single : A 4 SER OG : rot 180:sc= 0.00815 USER MOD Single : A 5 ASN : amide:sc= -7.65! K(o=-7.6!,f=-1.4) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 30:sc= -1.64! USER MOD Single : A 13 GLN : amide:sc= -0.0107 K(o=-0.011,f=-0.95) USER MOD Single : A 16 SER OG : rot 180:sc= -0.458 USER MOD Single : A 17 LYS NZ :NH3+ 174:sc= 1.29 (180deg=1.16) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 168:sc= 1.18 (180deg=1.07) USER MOD Single : A 30 ASN : amide:sc= -1.67! C(o=-1.7!,f=-8.5!) USER MOD Single : A 31 LYS NZ :NH3+ -152:sc= 1.2 (180deg=0.568) USER MOD Single : A 34 LYS NZ :NH3+ -169:sc= -0.0194 (180deg=-0.161) USER MOD Single : A 35 SER OG : rot 180:sc= 0.0652 USER MOD Single : A 37 ASN : amide:sc= -1.19 K(o=-1.2,f=-0.015) USER MOD Single : A 38 MET CE :methyl -156:sc= -0.119 (180deg=-1.4) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 MET CE :methyl -160:sc= -0.134 (180deg=-0.644) USER MOD Single : A 46 THR OG1 : rot -86:sc= 0.787 USER MOD Single : A 50 THR OG1 : rot 110:sc= -0.218 USER MOD Single : A 51 LYS NZ :NH3+ -147:sc= 1.33 (180deg=-0.604) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -1.59! K(o=-1.6!,f=0) USER MOD ----------------------------------------------------------------- ATOM 31 N MET A 3 10.734 1.880 8.579 1.00 0.96 N ATOM 32 CA MET A 3 9.357 2.049 9.010 1.00 0.96 C ATOM 33 C MET A 3 9.135 3.418 9.642 1.00 0.91 C ATOM 34 O MET A 3 8.011 3.776 9.991 1.00 1.26 O ATOM 35 CB MET A 3 9.000 0.953 10.006 1.00 1.43 C ATOM 36 CG MET A 3 9.142 -0.430 9.414 1.00 1.59 C ATOM 37 SD MET A 3 8.051 -0.683 8.003 1.00 2.01 S ATOM 38 CE MET A 3 8.914 -2.004 7.171 1.00 2.17 C ATOM 0 HA MET A 3 8.712 1.978 8.134 1.00 0.96 H new ATOM 0 HB2 MET A 3 9.643 1.038 10.882 1.00 1.43 H new ATOM 0 HB3 MET A 3 7.975 1.096 10.348 1.00 1.43 H new ATOM 0 HG2 MET A 3 10.175 -0.586 9.104 1.00 1.59 H new ATOM 0 HG3 MET A 3 8.922 -1.175 10.179 1.00 1.59 H new ATOM 0 HE1 MET A 3 9.437 -1.606 6.301 1.00 2.17 H new ATOM 0 HE2 MET A 3 9.635 -2.454 7.853 1.00 2.17 H new ATOM 0 HE3 MET A 3 8.198 -2.760 6.849 1.00 2.17 H new ATOM 48 N SER A 4 10.206 4.191 9.759 1.00 0.78 N ATOM 49 CA SER A 4 10.164 5.469 10.453 1.00 0.78 C ATOM 50 C SER A 4 9.431 6.496 9.602 1.00 0.72 C ATOM 51 O SER A 4 8.855 7.459 10.100 1.00 0.81 O ATOM 52 CB SER A 4 11.592 5.937 10.727 1.00 0.86 C ATOM 53 OG SER A 4 12.442 4.831 10.992 1.00 1.47 O ATOM 0 H SER A 4 11.122 3.952 9.378 1.00 0.78 H new ATOM 0 HA SER A 4 9.632 5.356 11.398 1.00 0.78 H new ATOM 0 HB2 SER A 4 11.968 6.493 9.869 1.00 0.86 H new ATOM 0 HB3 SER A 4 11.599 6.619 11.577 1.00 0.86 H new ATOM 0 HG SER A 4 13.352 5.152 11.163 1.00 1.47 H new ATOM 59 N ASN A 5 9.447 6.249 8.304 1.00 0.64 N ATOM 60 CA ASN A 5 8.845 7.143 7.331 1.00 0.64 C ATOM 61 C ASN A 5 7.535 6.563 6.808 1.00 0.57 C ATOM 62 O ASN A 5 6.958 7.058 5.848 1.00 0.68 O ATOM 63 CB ASN A 5 9.826 7.381 6.174 1.00 0.69 C ATOM 64 CG ASN A 5 10.442 6.096 5.637 1.00 1.19 C ATOM 65 OD1 ASN A 5 11.577 6.094 5.162 1.00 1.89 O ATOM 66 ND2 ASN A 5 9.704 4.998 5.702 1.00 1.24 N ATOM 0 H ASN A 5 9.879 5.421 7.894 1.00 0.64 H new ATOM 0 HA ASN A 5 8.625 8.095 7.814 1.00 0.64 H new ATOM 0 HB2 ASN A 5 9.306 7.893 5.364 1.00 0.69 H new ATOM 0 HB3 ASN A 5 10.622 8.045 6.512 1.00 0.69 H new ATOM 0 HD21 ASN A 5 10.073 4.114 5.352 1.00 1.24 H new ATOM 0 HD22 ASN A 5 8.767 5.036 6.102 1.00 1.24 H new ATOM 73 N VAL A 6 7.081 5.508 7.459 1.00 0.44 N ATOM 74 CA VAL A 6 5.924 4.767 7.003 1.00 0.40 C ATOM 75 C VAL A 6 4.735 5.070 7.888 1.00 0.40 C ATOM 76 O VAL A 6 4.861 5.130 9.110 1.00 0.47 O ATOM 77 CB VAL A 6 6.200 3.246 6.992 1.00 0.43 C ATOM 78 CG1 VAL A 6 4.938 2.466 6.680 1.00 0.98 C ATOM 79 CG2 VAL A 6 7.281 2.904 5.981 1.00 1.25 C ATOM 0 H VAL A 6 7.502 5.144 8.314 1.00 0.44 H new ATOM 0 HA VAL A 6 5.705 5.078 5.982 1.00 0.40 H new ATOM 0 HB VAL A 6 6.545 2.965 7.987 1.00 0.43 H new ATOM 0 HG11 VAL A 6 5.161 1.399 6.679 1.00 0.98 H new ATOM 0 HG12 VAL A 6 4.183 2.678 7.437 1.00 0.98 H new ATOM 0 HG13 VAL A 6 4.562 2.759 5.700 1.00 0.98 H new ATOM 0 HG21 VAL A 6 7.460 1.829 5.989 1.00 1.25 H new ATOM 0 HG22 VAL A 6 6.959 3.211 4.986 1.00 1.25 H new ATOM 0 HG23 VAL A 6 8.201 3.427 6.241 1.00 1.25 H new ATOM 89 N VAL A 7 3.595 5.293 7.268 1.00 0.38 N ATOM 90 CA VAL A 7 2.403 5.632 8.013 1.00 0.41 C ATOM 91 C VAL A 7 1.430 4.448 8.065 1.00 0.37 C ATOM 92 O VAL A 7 0.538 4.401 8.915 1.00 0.42 O ATOM 93 CB VAL A 7 1.742 6.899 7.428 1.00 0.52 C ATOM 94 CG1 VAL A 7 0.773 6.586 6.298 1.00 0.94 C ATOM 95 CG2 VAL A 7 1.089 7.700 8.531 1.00 1.03 C ATOM 0 H VAL A 7 3.470 5.246 6.257 1.00 0.38 H new ATOM 0 HA VAL A 7 2.688 5.854 9.041 1.00 0.41 H new ATOM 0 HB VAL A 7 2.528 7.507 6.980 1.00 0.52 H new ATOM 0 HG11 VAL A 7 0.338 7.513 5.925 1.00 0.94 H new ATOM 0 HG12 VAL A 7 1.306 6.084 5.490 1.00 0.94 H new ATOM 0 HG13 VAL A 7 -0.020 5.936 6.668 1.00 0.94 H new ATOM 0 HG21 VAL A 7 0.626 8.591 8.108 1.00 1.03 H new ATOM 0 HG22 VAL A 7 0.327 7.092 9.020 1.00 1.03 H new ATOM 0 HG23 VAL A 7 1.842 7.995 9.262 1.00 1.03 H new ATOM 105 N LYS A 8 1.618 3.493 7.154 1.00 0.34 N ATOM 106 CA LYS A 8 0.900 2.220 7.192 1.00 0.35 C ATOM 107 C LYS A 8 1.503 1.237 6.206 1.00 0.31 C ATOM 108 O LYS A 8 1.772 1.576 5.053 1.00 0.35 O ATOM 109 CB LYS A 8 -0.598 2.393 6.908 1.00 0.44 C ATOM 110 CG LYS A 8 -1.374 1.081 6.924 1.00 0.50 C ATOM 111 CD LYS A 8 -1.322 0.412 8.290 1.00 0.57 C ATOM 112 CE LYS A 8 -1.986 -0.960 8.273 1.00 1.01 C ATOM 113 NZ LYS A 8 -1.883 -1.645 9.591 1.00 1.41 N ATOM 0 H LYS A 8 2.269 3.580 6.373 1.00 0.34 H new ATOM 0 HA LYS A 8 1.003 1.826 8.203 1.00 0.35 H new ATOM 0 HB2 LYS A 8 -1.025 3.068 7.650 1.00 0.44 H new ATOM 0 HB3 LYS A 8 -0.723 2.868 5.935 1.00 0.44 H new ATOM 0 HG2 LYS A 8 -2.412 1.269 6.650 1.00 0.50 H new ATOM 0 HG3 LYS A 8 -0.964 0.406 6.173 1.00 0.50 H new ATOM 0 HD2 LYS A 8 -0.284 0.310 8.605 1.00 0.57 H new ATOM 0 HD3 LYS A 8 -1.817 1.047 9.025 1.00 0.57 H new ATOM 0 HE2 LYS A 8 -3.036 -0.851 8.002 1.00 1.01 H new ATOM 0 HE3 LYS A 8 -1.521 -1.579 7.505 1.00 1.01 H new ATOM 0 HZ1 LYS A 8 -2.347 -2.574 9.536 1.00 1.41 H new ATOM 0 HZ2 LYS A 8 -0.881 -1.772 9.839 1.00 1.41 H new ATOM 0 HZ3 LYS A 8 -2.349 -1.068 10.320 1.00 1.41 H new ATOM 127 N THR A 9 1.723 0.027 6.678 1.00 0.33 N ATOM 128 CA THR A 9 2.248 -1.043 5.857 1.00 0.32 C ATOM 129 C THR A 9 1.179 -2.114 5.620 1.00 0.35 C ATOM 130 O THR A 9 0.378 -2.418 6.503 1.00 0.39 O ATOM 131 CB THR A 9 3.482 -1.664 6.530 1.00 0.33 C ATOM 132 OG1 THR A 9 4.533 -0.696 6.615 1.00 0.40 O ATOM 133 CG2 THR A 9 3.975 -2.908 5.799 1.00 0.33 C ATOM 0 H THR A 9 1.542 -0.242 7.645 1.00 0.33 H new ATOM 0 HA THR A 9 2.540 -0.630 4.892 1.00 0.32 H new ATOM 0 HB THR A 9 3.185 -1.973 7.532 1.00 0.33 H new ATOM 0 HG1 THR A 9 4.962 -0.601 5.739 1.00 0.40 H new ATOM 0 HG21 THR A 9 4.848 -3.310 6.313 1.00 0.33 H new ATOM 0 HG22 THR A 9 3.185 -3.659 5.785 1.00 0.33 H new ATOM 0 HG23 THR A 9 4.245 -2.646 4.776 1.00 0.33 H new ATOM 141 N TYR A 10 1.188 -2.684 4.428 1.00 0.37 N ATOM 142 CA TYR A 10 0.246 -3.714 4.045 1.00 0.42 C ATOM 143 C TYR A 10 0.949 -4.950 3.568 1.00 0.38 C ATOM 144 O TYR A 10 1.965 -4.884 2.879 1.00 0.35 O ATOM 145 CB TYR A 10 -0.708 -3.207 2.976 1.00 0.47 C ATOM 146 CG TYR A 10 -1.886 -2.491 3.567 1.00 0.60 C ATOM 147 CD1 TYR A 10 -2.902 -3.208 4.170 1.00 0.70 C ATOM 148 CD2 TYR A 10 -1.975 -1.109 3.542 1.00 0.68 C ATOM 149 CE1 TYR A 10 -3.982 -2.575 4.732 1.00 0.84 C ATOM 150 CE2 TYR A 10 -3.055 -0.461 4.107 1.00 0.82 C ATOM 151 CZ TYR A 10 -4.058 -1.200 4.701 1.00 0.91 C ATOM 152 OH TYR A 10 -5.138 -0.559 5.261 1.00 1.06 O ATOM 0 H TYR A 10 1.855 -2.442 3.695 1.00 0.37 H new ATOM 0 HA TYR A 10 -0.331 -3.973 4.933 1.00 0.42 H new ATOM 0 HB2 TYR A 10 -0.175 -2.534 2.304 1.00 0.47 H new ATOM 0 HB3 TYR A 10 -1.058 -4.046 2.375 1.00 0.47 H new ATOM 0 HD1 TYR A 10 -2.845 -4.286 4.199 1.00 0.70 H new ATOM 0 HD2 TYR A 10 -1.191 -0.532 3.075 1.00 0.68 H new ATOM 0 HE1 TYR A 10 -4.768 -3.152 5.196 1.00 0.84 H new ATOM 0 HE2 TYR A 10 -3.115 0.617 4.084 1.00 0.82 H new ATOM 0 HH TYR A 10 -5.484 -1.092 6.007 1.00 1.06 H new ATOM 162 N ASP A 11 0.403 -6.071 3.971 1.00 0.42 N ATOM 163 CA ASP A 11 0.931 -7.353 3.572 1.00 0.42 C ATOM 164 C ASP A 11 0.055 -7.919 2.472 1.00 0.39 C ATOM 165 O ASP A 11 -1.153 -8.125 2.649 1.00 0.40 O ATOM 166 CB ASP A 11 0.972 -8.320 4.752 1.00 0.52 C ATOM 167 CG ASP A 11 2.078 -9.347 4.613 1.00 1.25 C ATOM 168 OD1 ASP A 11 1.915 -10.297 3.816 1.00 1.94 O ATOM 169 OD2 ASP A 11 3.116 -9.209 5.284 1.00 1.69 O ATOM 0 H ASP A 11 -0.414 -6.121 4.580 1.00 0.42 H new ATOM 0 HA ASP A 11 1.951 -7.221 3.211 1.00 0.42 H new ATOM 0 HB2 ASP A 11 1.114 -7.758 5.675 1.00 0.52 H new ATOM 0 HB3 ASP A 11 0.013 -8.831 4.834 1.00 0.52 H new ATOM 174 N LEU A 12 0.671 -8.162 1.346 1.00 0.38 N ATOM 175 CA LEU A 12 -0.032 -8.659 0.176 1.00 0.41 C ATOM 176 C LEU A 12 -0.181 -10.163 0.272 1.00 0.54 C ATOM 177 O LEU A 12 0.667 -10.841 0.846 1.00 1.50 O ATOM 178 CB LEU A 12 0.699 -8.284 -1.114 1.00 0.40 C ATOM 179 CG LEU A 12 0.874 -6.777 -1.341 1.00 0.46 C ATOM 180 CD1 LEU A 12 1.427 -6.498 -2.731 1.00 1.04 C ATOM 181 CD2 LEU A 12 -0.444 -6.044 -1.138 1.00 1.04 C ATOM 0 H LEU A 12 1.672 -8.024 1.206 1.00 0.38 H new ATOM 0 HA LEU A 12 -1.018 -8.196 0.147 1.00 0.41 H new ATOM 0 HB2 LEU A 12 1.683 -8.752 -1.106 1.00 0.40 H new ATOM 0 HB3 LEU A 12 0.153 -8.703 -1.959 1.00 0.40 H new ATOM 0 HG LEU A 12 1.590 -6.408 -0.607 1.00 0.46 H new ATOM 0 HD11 LEU A 12 1.542 -5.423 -2.868 1.00 1.04 H new ATOM 0 HD12 LEU A 12 2.397 -6.984 -2.841 1.00 1.04 H new ATOM 0 HD13 LEU A 12 0.739 -6.888 -3.481 1.00 1.04 H new ATOM 0 HD21 LEU A 12 -0.296 -4.977 -1.304 1.00 1.04 H new ATOM 0 HD22 LEU A 12 -1.183 -6.422 -1.844 1.00 1.04 H new ATOM 0 HD23 LEU A 12 -0.798 -6.207 -0.120 1.00 1.04 H new ATOM 193 N GLN A 13 -1.260 -10.678 -0.294 1.00 0.65 N ATOM 194 CA GLN A 13 -1.566 -12.106 -0.236 1.00 0.62 C ATOM 195 C GLN A 13 -0.475 -12.944 -0.906 1.00 0.62 C ATOM 196 O GLN A 13 -0.380 -14.156 -0.699 1.00 0.74 O ATOM 197 CB GLN A 13 -2.906 -12.356 -0.919 1.00 0.69 C ATOM 198 CG GLN A 13 -3.499 -13.719 -0.629 1.00 0.89 C ATOM 199 CD GLN A 13 -4.780 -13.954 -1.405 1.00 1.08 C ATOM 200 OE1 GLN A 13 -4.947 -13.435 -2.510 1.00 1.68 O ATOM 201 NE2 GLN A 13 -5.694 -14.726 -0.841 1.00 1.61 N ATOM 0 H GLN A 13 -1.948 -10.125 -0.805 1.00 0.65 H new ATOM 0 HA GLN A 13 -1.615 -12.406 0.811 1.00 0.62 H new ATOM 0 HB2 GLN A 13 -3.613 -11.589 -0.602 1.00 0.69 H new ATOM 0 HB3 GLN A 13 -2.779 -12.248 -1.996 1.00 0.69 H new ATOM 0 HG2 GLN A 13 -2.774 -14.492 -0.883 1.00 0.89 H new ATOM 0 HG3 GLN A 13 -3.700 -13.808 0.439 1.00 0.89 H new ATOM 0 HE21 GLN A 13 -5.519 -15.138 0.076 1.00 1.61 H new ATOM 0 HE22 GLN A 13 -6.574 -14.910 -1.323 1.00 1.61 H new ATOM 210 N ASP A 14 0.361 -12.276 -1.682 1.00 0.55 N ATOM 211 CA ASP A 14 1.399 -12.936 -2.461 1.00 0.64 C ATOM 212 C ASP A 14 2.721 -12.893 -1.701 1.00 0.54 C ATOM 213 O ASP A 14 3.737 -13.413 -2.150 1.00 0.70 O ATOM 214 CB ASP A 14 1.538 -12.246 -3.822 1.00 0.80 C ATOM 215 CG ASP A 14 2.366 -13.046 -4.804 1.00 1.46 C ATOM 216 OD1 ASP A 14 1.888 -14.094 -5.285 1.00 1.98 O ATOM 217 OD2 ASP A 14 3.516 -12.643 -5.075 1.00 2.11 O ATOM 0 H ASP A 14 0.341 -11.262 -1.791 1.00 0.55 H new ATOM 0 HA ASP A 14 1.126 -13.979 -2.623 1.00 0.64 H new ATOM 0 HB2 ASP A 14 0.546 -12.078 -4.242 1.00 0.80 H new ATOM 0 HB3 ASP A 14 1.995 -11.266 -3.682 1.00 0.80 H new ATOM 222 N GLY A 15 2.682 -12.255 -0.541 1.00 0.55 N ATOM 223 CA GLY A 15 3.849 -12.172 0.312 1.00 0.73 C ATOM 224 C GLY A 15 4.505 -10.814 0.276 1.00 0.75 C ATOM 225 O GLY A 15 5.290 -10.467 1.163 1.00 1.28 O ATOM 0 H GLY A 15 1.853 -11.789 -0.172 1.00 0.55 H new ATOM 0 HA2 GLY A 15 3.561 -12.404 1.337 1.00 0.73 H new ATOM 0 HA3 GLY A 15 4.572 -12.928 0.005 1.00 0.73 H new ATOM 229 N SER A 16 4.203 -10.063 -0.766 1.00 0.37 N ATOM 230 CA SER A 16 4.799 -8.760 -0.973 1.00 0.35 C ATOM 231 C SER A 16 4.228 -7.741 0.017 1.00 0.29 C ATOM 232 O SER A 16 3.179 -7.962 0.606 1.00 0.33 O ATOM 233 CB SER A 16 4.568 -8.328 -2.420 1.00 0.44 C ATOM 234 OG SER A 16 5.097 -9.294 -3.317 1.00 1.07 O ATOM 0 H SER A 16 3.540 -10.339 -1.490 1.00 0.37 H new ATOM 0 HA SER A 16 5.872 -8.815 -0.792 1.00 0.35 H new ATOM 0 HB2 SER A 16 3.501 -8.200 -2.602 1.00 0.44 H new ATOM 0 HB3 SER A 16 5.040 -7.361 -2.597 1.00 0.44 H new ATOM 0 HG SER A 16 4.940 -9.004 -4.240 1.00 1.07 H new ATOM 240 N LYS A 17 4.942 -6.651 0.224 1.00 0.26 N ATOM 241 CA LYS A 17 4.526 -5.639 1.176 1.00 0.28 C ATOM 242 C LYS A 17 4.310 -4.306 0.482 1.00 0.30 C ATOM 243 O LYS A 17 4.915 -4.021 -0.550 1.00 0.43 O ATOM 244 CB LYS A 17 5.596 -5.462 2.251 1.00 0.31 C ATOM 245 CG LYS A 17 6.157 -6.763 2.789 1.00 0.71 C ATOM 246 CD LYS A 17 7.338 -6.487 3.702 1.00 0.66 C ATOM 247 CE LYS A 17 8.322 -7.641 3.698 1.00 0.84 C ATOM 248 NZ LYS A 17 9.639 -7.239 4.252 1.00 1.84 N ATOM 0 H LYS A 17 5.817 -6.443 -0.257 1.00 0.26 H new ATOM 0 HA LYS A 17 3.590 -5.967 1.629 1.00 0.28 H new ATOM 0 HB2 LYS A 17 6.413 -4.869 1.840 1.00 0.31 H new ATOM 0 HB3 LYS A 17 5.173 -4.892 3.078 1.00 0.31 H new ATOM 0 HG2 LYS A 17 5.384 -7.302 3.336 1.00 0.71 H new ATOM 0 HG3 LYS A 17 6.468 -7.402 1.963 1.00 0.71 H new ATOM 0 HD2 LYS A 17 7.843 -5.576 3.381 1.00 0.66 H new ATOM 0 HD3 LYS A 17 6.982 -6.314 4.718 1.00 0.66 H new ATOM 0 HE2 LYS A 17 7.917 -8.467 4.283 1.00 0.84 H new ATOM 0 HE3 LYS A 17 8.451 -8.006 2.679 1.00 0.84 H new ATOM 0 HZ1 LYS A 17 10.253 -8.075 4.328 1.00 1.84 H new ATOM 0 HZ2 LYS A 17 10.082 -6.540 3.622 1.00 1.84 H new ATOM 0 HZ3 LYS A 17 9.506 -6.820 5.195 1.00 1.84 H new ATOM 262 N VAL A 18 3.440 -3.501 1.052 1.00 0.28 N ATOM 263 CA VAL A 18 3.213 -2.148 0.586 1.00 0.30 C ATOM 264 C VAL A 18 3.252 -1.207 1.775 1.00 0.31 C ATOM 265 O VAL A 18 2.853 -1.582 2.863 1.00 0.41 O ATOM 266 CB VAL A 18 1.848 -2.027 -0.125 1.00 0.35 C ATOM 267 CG1 VAL A 18 1.524 -0.573 -0.464 1.00 0.39 C ATOM 268 CG2 VAL A 18 1.836 -2.888 -1.379 1.00 0.36 C ATOM 0 H VAL A 18 2.868 -3.766 1.854 1.00 0.28 H new ATOM 0 HA VAL A 18 3.992 -1.887 -0.130 1.00 0.30 H new ATOM 0 HB VAL A 18 1.076 -2.384 0.556 1.00 0.35 H new ATOM 0 HG11 VAL A 18 0.557 -0.523 -0.964 1.00 0.39 H new ATOM 0 HG12 VAL A 18 1.490 0.015 0.453 1.00 0.39 H new ATOM 0 HG13 VAL A 18 2.294 -0.173 -1.123 1.00 0.39 H new ATOM 0 HG21 VAL A 18 0.869 -2.796 -1.874 1.00 0.36 H new ATOM 0 HG22 VAL A 18 2.623 -2.556 -2.056 1.00 0.36 H new ATOM 0 HG23 VAL A 18 2.007 -3.930 -1.107 1.00 0.36 H new ATOM 278 N HIS A 19 3.772 -0.013 1.595 1.00 0.29 N ATOM 279 CA HIS A 19 3.720 0.979 2.655 1.00 0.29 C ATOM 280 C HIS A 19 3.294 2.304 2.082 1.00 0.30 C ATOM 281 O HIS A 19 3.784 2.712 1.032 1.00 0.34 O ATOM 282 CB HIS A 19 5.075 1.185 3.356 1.00 0.32 C ATOM 283 CG HIS A 19 5.953 -0.019 3.414 1.00 0.32 C ATOM 284 ND1 HIS A 19 6.059 -0.842 4.505 1.00 0.67 N ATOM 285 CD2 HIS A 19 6.793 -0.511 2.494 1.00 0.37 C ATOM 286 CE1 HIS A 19 6.931 -1.797 4.251 1.00 0.66 C ATOM 287 NE2 HIS A 19 7.396 -1.622 3.032 1.00 0.41 N ATOM 0 H HIS A 19 4.231 0.296 0.738 1.00 0.29 H new ATOM 0 HA HIS A 19 3.008 0.606 3.392 1.00 0.29 H new ATOM 0 HB2 HIS A 19 5.613 1.982 2.843 1.00 0.32 H new ATOM 0 HB3 HIS A 19 4.890 1.529 4.374 1.00 0.32 H new ATOM 0 HD2 HIS A 19 6.965 -0.107 1.507 1.00 0.37 H new ATOM 0 HE1 HIS A 19 7.216 -2.589 4.928 1.00 0.66 H new ATOM 0 HE2 HIS A 19 8.086 -2.211 2.566 1.00 0.41 H new ATOM 296 N VAL A 20 2.387 2.961 2.766 1.00 0.31 N ATOM 297 CA VAL A 20 2.076 4.332 2.455 1.00 0.33 C ATOM 298 C VAL A 20 2.940 5.186 3.357 1.00 0.32 C ATOM 299 O VAL A 20 2.878 5.077 4.584 1.00 0.33 O ATOM 300 CB VAL A 20 0.584 4.672 2.649 1.00 0.40 C ATOM 301 CG1 VAL A 20 0.305 6.113 2.239 1.00 0.56 C ATOM 302 CG2 VAL A 20 -0.284 3.704 1.851 1.00 0.81 C ATOM 0 H VAL A 20 1.853 2.567 3.541 1.00 0.31 H new ATOM 0 HA VAL A 20 2.279 4.520 1.401 1.00 0.33 H new ATOM 0 HB VAL A 20 0.336 4.568 3.705 1.00 0.40 H new ATOM 0 HG11 VAL A 20 -0.753 6.334 2.383 1.00 0.56 H new ATOM 0 HG12 VAL A 20 0.903 6.788 2.851 1.00 0.56 H new ATOM 0 HG13 VAL A 20 0.564 6.249 1.189 1.00 0.56 H new ATOM 0 HG21 VAL A 20 -1.335 3.954 1.996 1.00 0.81 H new ATOM 0 HG22 VAL A 20 -0.035 3.780 0.792 1.00 0.81 H new ATOM 0 HG23 VAL A 20 -0.103 2.685 2.194 1.00 0.81 H new ATOM 312 N PHE A 21 3.792 5.974 2.750 1.00 0.34 N ATOM 313 CA PHE A 21 4.784 6.718 3.480 1.00 0.37 C ATOM 314 C PHE A 21 4.189 7.998 4.056 1.00 0.39 C ATOM 315 O PHE A 21 3.250 8.566 3.500 1.00 0.40 O ATOM 316 CB PHE A 21 5.977 7.012 2.569 1.00 0.40 C ATOM 317 CG PHE A 21 6.862 5.812 2.317 1.00 0.41 C ATOM 318 CD1 PHE A 21 6.501 4.806 1.422 1.00 0.37 C ATOM 319 CD2 PHE A 21 8.070 5.693 2.980 1.00 0.58 C ATOM 320 CE1 PHE A 21 7.330 3.723 1.207 1.00 0.39 C ATOM 321 CE2 PHE A 21 8.899 4.610 2.764 1.00 0.64 C ATOM 322 CZ PHE A 21 8.529 3.624 1.876 1.00 0.51 C ATOM 0 H PHE A 21 3.817 6.117 1.740 1.00 0.34 H new ATOM 0 HA PHE A 21 5.132 6.120 4.322 1.00 0.37 H new ATOM 0 HB2 PHE A 21 5.609 7.388 1.614 1.00 0.40 H new ATOM 0 HB3 PHE A 21 6.576 7.806 3.015 1.00 0.40 H new ATOM 0 HD1 PHE A 21 5.563 4.874 0.891 1.00 0.37 H new ATOM 0 HD2 PHE A 21 8.370 6.460 3.679 1.00 0.58 H new ATOM 0 HE1 PHE A 21 7.037 2.951 0.511 1.00 0.39 H new ATOM 0 HE2 PHE A 21 9.838 4.536 3.292 1.00 0.64 H new ATOM 0 HZ PHE A 21 9.177 2.777 1.705 1.00 0.51 H new ATOM 332 N LYS A 22 4.742 8.426 5.177 1.00 0.44 N ATOM 333 CA LYS A 22 4.271 9.606 5.898 1.00 0.50 C ATOM 334 C LYS A 22 4.386 10.870 5.051 1.00 0.52 C ATOM 335 O LYS A 22 3.683 11.856 5.277 1.00 0.57 O ATOM 336 CB LYS A 22 5.082 9.768 7.184 1.00 0.61 C ATOM 337 CG LYS A 22 4.782 8.715 8.236 1.00 1.37 C ATOM 338 CD LYS A 22 5.676 8.882 9.451 1.00 1.46 C ATOM 339 CE LYS A 22 5.472 10.235 10.112 1.00 2.02 C ATOM 340 NZ LYS A 22 6.406 10.435 11.249 1.00 2.87 N ATOM 0 H LYS A 22 5.537 7.964 5.620 1.00 0.44 H new ATOM 0 HA LYS A 22 3.217 9.462 6.134 1.00 0.50 H new ATOM 0 HB2 LYS A 22 6.144 9.732 6.940 1.00 0.61 H new ATOM 0 HB3 LYS A 22 4.885 10.754 7.604 1.00 0.61 H new ATOM 0 HG2 LYS A 22 3.737 8.786 8.538 1.00 1.37 H new ATOM 0 HG3 LYS A 22 4.924 7.722 7.811 1.00 1.37 H new ATOM 0 HD2 LYS A 22 5.466 8.090 10.170 1.00 1.46 H new ATOM 0 HD3 LYS A 22 6.719 8.775 9.154 1.00 1.46 H new ATOM 0 HE2 LYS A 22 5.619 11.026 9.376 1.00 2.02 H new ATOM 0 HE3 LYS A 22 4.444 10.316 10.466 1.00 2.02 H new ATOM 0 HZ1 LYS A 22 6.238 11.368 11.676 1.00 2.87 H new ATOM 0 HZ2 LYS A 22 6.248 9.695 11.962 1.00 2.87 H new ATOM 0 HZ3 LYS A 22 7.386 10.382 10.906 1.00 2.87 H new ATOM 354 N ASP A 23 5.261 10.823 4.063 1.00 0.54 N ATOM 355 CA ASP A 23 5.516 11.961 3.202 1.00 0.61 C ATOM 356 C ASP A 23 4.752 11.784 1.910 1.00 0.59 C ATOM 357 O ASP A 23 4.897 12.555 0.960 1.00 0.67 O ATOM 358 CB ASP A 23 7.016 12.127 2.942 1.00 0.68 C ATOM 359 CG ASP A 23 7.679 10.901 2.344 1.00 1.29 C ATOM 360 OD1 ASP A 23 6.959 9.908 2.087 1.00 1.97 O ATOM 361 OD2 ASP A 23 8.906 10.916 2.120 1.00 1.91 O ATOM 0 H ASP A 23 5.813 9.996 3.836 1.00 0.54 H new ATOM 0 HA ASP A 23 5.174 12.871 3.696 1.00 0.61 H new ATOM 0 HB2 ASP A 23 7.166 12.972 2.270 1.00 0.68 H new ATOM 0 HB3 ASP A 23 7.512 12.374 3.881 1.00 0.68 H new ATOM 366 N GLY A 24 3.935 10.749 1.890 1.00 0.53 N ATOM 367 CA GLY A 24 3.018 10.561 0.809 1.00 0.53 C ATOM 368 C GLY A 24 3.495 9.626 -0.278 1.00 0.53 C ATOM 369 O GLY A 24 2.794 9.457 -1.273 1.00 0.58 O ATOM 0 H GLY A 24 3.896 10.032 2.614 1.00 0.53 H new ATOM 0 HA2 GLY A 24 2.080 10.178 1.211 1.00 0.53 H new ATOM 0 HA3 GLY A 24 2.801 11.532 0.363 1.00 0.53 H new ATOM 373 N LYS A 25 4.680 9.039 -0.144 1.00 0.50 N ATOM 374 CA LYS A 25 5.098 8.007 -1.081 1.00 0.51 C ATOM 375 C LYS A 25 4.391 6.691 -0.801 1.00 0.42 C ATOM 376 O LYS A 25 3.679 6.547 0.192 1.00 0.41 O ATOM 377 CB LYS A 25 6.606 7.780 -1.000 1.00 0.62 C ATOM 378 CG LYS A 25 7.434 8.854 -1.671 1.00 0.94 C ATOM 379 CD LYS A 25 8.422 9.478 -0.706 1.00 1.49 C ATOM 380 CE LYS A 25 9.267 8.430 0.009 1.00 1.50 C ATOM 381 NZ LYS A 25 10.293 9.052 0.882 1.00 1.74 N ATOM 0 H LYS A 25 5.355 9.256 0.590 1.00 0.50 H new ATOM 0 HA LYS A 25 4.832 8.353 -2.080 1.00 0.51 H new ATOM 0 HB2 LYS A 25 6.896 7.716 0.049 1.00 0.62 H new ATOM 0 HB3 LYS A 25 6.842 6.818 -1.455 1.00 0.62 H new ATOM 0 HG2 LYS A 25 7.971 8.425 -2.517 1.00 0.94 H new ATOM 0 HG3 LYS A 25 6.776 9.626 -2.070 1.00 0.94 H new ATOM 0 HD2 LYS A 25 9.076 10.161 -1.249 1.00 1.49 H new ATOM 0 HD3 LYS A 25 7.882 10.072 0.031 1.00 1.49 H new ATOM 0 HE2 LYS A 25 8.621 7.789 0.608 1.00 1.50 H new ATOM 0 HE3 LYS A 25 9.755 7.792 -0.728 1.00 1.50 H new ATOM 0 HZ1 LYS A 25 10.709 8.327 1.501 1.00 1.74 H new ATOM 0 HZ2 LYS A 25 11.039 9.474 0.294 1.00 1.74 H new ATOM 0 HZ3 LYS A 25 9.851 9.792 1.464 1.00 1.74 H new ATOM 395 N MET A 26 4.600 5.739 -1.685 1.00 0.42 N ATOM 396 CA MET A 26 4.159 4.374 -1.482 1.00 0.41 C ATOM 397 C MET A 26 5.261 3.444 -1.942 1.00 0.42 C ATOM 398 O MET A 26 5.804 3.605 -3.034 1.00 0.49 O ATOM 399 CB MET A 26 2.876 4.047 -2.253 1.00 0.47 C ATOM 400 CG MET A 26 1.644 4.818 -1.798 1.00 0.73 C ATOM 401 SD MET A 26 1.567 6.486 -2.479 1.00 1.07 S ATOM 402 CE MET A 26 1.635 6.127 -4.231 1.00 0.76 C ATOM 0 H MET A 26 5.083 5.890 -2.570 1.00 0.42 H new ATOM 0 HA MET A 26 3.941 4.246 -0.422 1.00 0.41 H new ATOM 0 HB2 MET A 26 3.043 4.248 -3.311 1.00 0.47 H new ATOM 0 HB3 MET A 26 2.675 2.980 -2.160 1.00 0.47 H new ATOM 0 HG2 MET A 26 0.749 4.269 -2.092 1.00 0.73 H new ATOM 0 HG3 MET A 26 1.639 4.875 -0.710 1.00 0.73 H new ATOM 0 HE1 MET A 26 1.018 6.844 -4.773 1.00 0.76 H new ATOM 0 HE2 MET A 26 2.666 6.200 -4.578 1.00 0.76 H new ATOM 0 HE3 MET A 26 1.262 5.118 -4.410 1.00 0.76 H new ATOM 412 N GLY A 27 5.593 2.484 -1.113 1.00 0.39 N ATOM 413 CA GLY A 27 6.694 1.606 -1.422 1.00 0.39 C ATOM 414 C GLY A 27 6.279 0.163 -1.416 1.00 0.32 C ATOM 415 O GLY A 27 5.473 -0.251 -0.583 1.00 0.33 O ATOM 0 H GLY A 27 5.122 2.292 -0.229 1.00 0.39 H new ATOM 0 HA2 GLY A 27 7.099 1.863 -2.401 1.00 0.39 H new ATOM 0 HA3 GLY A 27 7.493 1.757 -0.696 1.00 0.39 H new ATOM 419 N MET A 28 6.825 -0.598 -2.339 1.00 0.28 N ATOM 420 CA MET A 28 6.495 -1.999 -2.459 1.00 0.27 C ATOM 421 C MET A 28 7.705 -2.853 -2.124 1.00 0.26 C ATOM 422 O MET A 28 8.833 -2.492 -2.436 1.00 0.31 O ATOM 423 CB MET A 28 6.014 -2.300 -3.881 1.00 0.34 C ATOM 424 CG MET A 28 5.656 -3.760 -4.119 1.00 0.45 C ATOM 425 SD MET A 28 5.109 -4.075 -5.809 1.00 0.87 S ATOM 426 CE MET A 28 4.904 -5.855 -5.771 1.00 0.72 C ATOM 0 H MET A 28 7.505 -0.265 -3.022 1.00 0.28 H new ATOM 0 HA MET A 28 5.696 -2.236 -1.757 1.00 0.27 H new ATOM 0 HB2 MET A 28 5.141 -1.683 -4.096 1.00 0.34 H new ATOM 0 HB3 MET A 28 6.792 -2.008 -4.586 1.00 0.34 H new ATOM 0 HG2 MET A 28 6.523 -4.383 -3.900 1.00 0.45 H new ATOM 0 HG3 MET A 28 4.868 -4.055 -3.425 1.00 0.45 H new ATOM 0 HE1 MET A 28 4.568 -6.203 -6.748 1.00 0.72 H new ATOM 0 HE2 MET A 28 5.856 -6.326 -5.526 1.00 0.72 H new ATOM 0 HE3 MET A 28 4.163 -6.120 -5.016 1.00 0.72 H new ATOM 436 N GLU A 29 7.466 -3.943 -1.442 1.00 0.24 N ATOM 437 CA GLU A 29 8.470 -4.964 -1.239 1.00 0.26 C ATOM 438 C GLU A 29 7.910 -6.265 -1.759 1.00 0.27 C ATOM 439 O GLU A 29 6.714 -6.485 -1.664 1.00 0.29 O ATOM 440 CB GLU A 29 8.829 -5.090 0.244 1.00 0.34 C ATOM 441 CG GLU A 29 9.890 -4.106 0.699 1.00 0.47 C ATOM 442 CD GLU A 29 9.957 -3.968 2.207 1.00 0.56 C ATOM 443 OE1 GLU A 29 10.268 -4.965 2.892 1.00 1.14 O ATOM 444 OE2 GLU A 29 9.704 -2.849 2.712 1.00 0.68 O ATOM 0 H GLU A 29 6.567 -4.152 -1.008 1.00 0.24 H new ATOM 0 HA GLU A 29 9.384 -4.701 -1.771 1.00 0.26 H new ATOM 0 HB2 GLU A 29 7.929 -4.942 0.841 1.00 0.34 H new ATOM 0 HB3 GLU A 29 9.178 -6.104 0.440 1.00 0.34 H new ATOM 0 HG2 GLU A 29 10.862 -4.428 0.325 1.00 0.47 H new ATOM 0 HG3 GLU A 29 9.686 -3.130 0.258 1.00 0.47 H new ATOM 451 N ASN A 30 8.733 -7.112 -2.336 1.00 0.32 N ATOM 452 CA ASN A 30 8.235 -8.387 -2.823 1.00 0.39 C ATOM 453 C ASN A 30 8.289 -9.407 -1.697 1.00 0.42 C ATOM 454 O ASN A 30 8.892 -9.145 -0.656 1.00 0.42 O ATOM 455 CB ASN A 30 9.020 -8.860 -4.057 1.00 0.47 C ATOM 456 CG ASN A 30 10.407 -9.382 -3.739 1.00 0.79 C ATOM 457 OD1 ASN A 30 10.999 -9.049 -2.719 1.00 1.41 O ATOM 458 ND2 ASN A 30 10.940 -10.202 -4.627 1.00 1.12 N ATOM 0 H ASN A 30 9.730 -6.951 -2.479 1.00 0.32 H new ATOM 0 HA ASN A 30 7.199 -8.269 -3.141 1.00 0.39 H new ATOM 0 HB2 ASN A 30 8.453 -9.645 -4.557 1.00 0.47 H new ATOM 0 HB3 ASN A 30 9.106 -8.032 -4.760 1.00 0.47 H new ATOM 0 HD21 ASN A 30 11.875 -10.581 -4.475 1.00 1.12 H new ATOM 0 HD22 ASN A 30 10.417 -10.457 -5.465 1.00 1.12 H new ATOM 465 N LYS A 31 7.614 -10.537 -1.871 1.00 0.48 N ATOM 466 CA LYS A 31 7.618 -11.606 -0.866 1.00 0.54 C ATOM 467 C LYS A 31 9.027 -12.037 -0.432 1.00 0.58 C ATOM 468 O LYS A 31 9.174 -12.725 0.576 1.00 0.69 O ATOM 469 CB LYS A 31 6.834 -12.821 -1.361 1.00 0.62 C ATOM 470 CG LYS A 31 7.197 -13.286 -2.758 1.00 0.66 C ATOM 471 CD LYS A 31 6.463 -14.569 -3.096 1.00 0.78 C ATOM 472 CE LYS A 31 6.590 -14.929 -4.567 1.00 1.32 C ATOM 473 NZ LYS A 31 5.829 -13.999 -5.444 1.00 1.77 N ATOM 0 H LYS A 31 7.054 -10.742 -2.699 1.00 0.48 H new ATOM 0 HA LYS A 31 7.131 -11.186 0.014 1.00 0.54 H new ATOM 0 HB2 LYS A 31 6.992 -13.646 -0.666 1.00 0.62 H new ATOM 0 HB3 LYS A 31 5.770 -12.584 -1.337 1.00 0.62 H new ATOM 0 HG2 LYS A 31 6.943 -12.513 -3.483 1.00 0.66 H new ATOM 0 HG3 LYS A 31 8.273 -13.446 -2.827 1.00 0.66 H new ATOM 0 HD2 LYS A 31 6.858 -15.383 -2.488 1.00 0.78 H new ATOM 0 HD3 LYS A 31 5.409 -14.462 -2.839 1.00 0.78 H new ATOM 0 HE2 LYS A 31 7.642 -14.915 -4.853 1.00 1.32 H new ATOM 0 HE3 LYS A 31 6.231 -15.946 -4.722 1.00 1.32 H new ATOM 0 HZ1 LYS A 31 5.541 -14.497 -6.311 1.00 1.77 H new ATOM 0 HZ2 LYS A 31 4.984 -13.661 -4.941 1.00 1.77 H new ATOM 0 HZ3 LYS A 31 6.430 -13.188 -5.694 1.00 1.77 H new ATOM 487 N PHE A 32 10.054 -11.623 -1.170 1.00 0.58 N ATOM 488 CA PHE A 32 11.427 -11.972 -0.831 1.00 0.63 C ATOM 489 C PHE A 32 12.107 -10.824 -0.084 1.00 0.56 C ATOM 490 O PHE A 32 13.319 -10.847 0.146 1.00 0.62 O ATOM 491 CB PHE A 32 12.217 -12.327 -2.093 1.00 0.69 C ATOM 492 CG PHE A 32 11.640 -13.487 -2.855 1.00 0.80 C ATOM 493 CD1 PHE A 32 11.903 -14.791 -2.467 1.00 0.95 C ATOM 494 CD2 PHE A 32 10.838 -13.271 -3.963 1.00 0.83 C ATOM 495 CE1 PHE A 32 11.374 -15.858 -3.171 1.00 1.08 C ATOM 496 CE2 PHE A 32 10.307 -14.330 -4.669 1.00 0.96 C ATOM 497 CZ PHE A 32 10.574 -15.626 -4.273 1.00 1.07 C ATOM 0 H PHE A 32 9.959 -11.046 -2.006 1.00 0.58 H new ATOM 0 HA PHE A 32 11.406 -12.844 -0.177 1.00 0.63 H new ATOM 0 HB2 PHE A 32 12.253 -11.455 -2.746 1.00 0.69 H new ATOM 0 HB3 PHE A 32 13.245 -12.560 -1.815 1.00 0.69 H new ATOM 0 HD1 PHE A 32 12.528 -14.976 -1.606 1.00 0.95 H new ATOM 0 HD2 PHE A 32 10.626 -12.260 -4.278 1.00 0.83 H new ATOM 0 HE1 PHE A 32 11.586 -16.870 -2.860 1.00 1.08 H new ATOM 0 HE2 PHE A 32 9.683 -14.146 -5.531 1.00 0.96 H new ATOM 0 HZ PHE A 32 10.158 -16.457 -4.824 1.00 1.07 H new ATOM 507 N GLY A 33 11.327 -9.804 0.269 1.00 0.49 N ATOM 508 CA GLY A 33 11.822 -8.737 1.115 1.00 0.49 C ATOM 509 C GLY A 33 12.622 -7.705 0.356 1.00 0.45 C ATOM 510 O GLY A 33 13.420 -6.976 0.941 1.00 0.54 O ATOM 0 H GLY A 33 10.354 -9.700 -0.020 1.00 0.49 H new ATOM 0 HA2 GLY A 33 10.979 -8.248 1.604 1.00 0.49 H new ATOM 0 HA3 GLY A 33 12.444 -9.164 1.902 1.00 0.49 H new ATOM 514 N LYS A 34 12.424 -7.651 -0.949 1.00 0.42 N ATOM 515 CA LYS A 34 13.161 -6.718 -1.783 1.00 0.52 C ATOM 516 C LYS A 34 12.313 -5.528 -2.141 1.00 0.38 C ATOM 517 O LYS A 34 11.121 -5.643 -2.417 1.00 0.72 O ATOM 518 CB LYS A 34 13.670 -7.403 -3.043 1.00 0.85 C ATOM 519 CG LYS A 34 14.555 -8.580 -2.726 1.00 1.17 C ATOM 520 CD LYS A 34 15.900 -8.149 -2.171 1.00 1.92 C ATOM 521 CE LYS A 34 16.699 -9.346 -1.683 1.00 2.73 C ATOM 522 NZ LYS A 34 16.010 -10.059 -0.569 1.00 3.25 N ATOM 0 H LYS A 34 11.761 -8.240 -1.453 1.00 0.42 H new ATOM 0 HA LYS A 34 14.019 -6.367 -1.210 1.00 0.52 H new ATOM 0 HB2 LYS A 34 12.823 -7.737 -3.642 1.00 0.85 H new ATOM 0 HB3 LYS A 34 14.224 -6.685 -3.648 1.00 0.85 H new ATOM 0 HG2 LYS A 34 14.055 -9.225 -2.003 1.00 1.17 H new ATOM 0 HG3 LYS A 34 14.708 -9.171 -3.629 1.00 1.17 H new ATOM 0 HD2 LYS A 34 16.463 -7.622 -2.941 1.00 1.92 H new ATOM 0 HD3 LYS A 34 15.750 -7.448 -1.350 1.00 1.92 H new ATOM 0 HE2 LYS A 34 16.860 -10.036 -2.511 1.00 2.73 H new ATOM 0 HE3 LYS A 34 17.682 -9.014 -1.348 1.00 2.73 H new ATOM 0 HZ1 LYS A 34 16.662 -10.748 -0.142 1.00 3.25 H new ATOM 0 HZ2 LYS A 34 15.712 -9.371 0.152 1.00 3.25 H new ATOM 0 HZ3 LYS A 34 15.175 -10.556 -0.939 1.00 3.25 H new ATOM 536 N SER A 35 12.961 -4.396 -2.135 1.00 0.46 N ATOM 537 CA SER A 35 12.302 -3.123 -2.335 1.00 0.48 C ATOM 538 C SER A 35 12.055 -2.823 -3.813 1.00 0.58 C ATOM 539 O SER A 35 12.953 -2.931 -4.651 1.00 0.74 O ATOM 540 CB SER A 35 13.127 -2.025 -1.675 1.00 0.69 C ATOM 541 OG SER A 35 14.517 -2.237 -1.881 1.00 1.55 O ATOM 0 H SER A 35 13.968 -4.324 -1.991 1.00 0.46 H new ATOM 0 HA SER A 35 11.318 -3.167 -1.869 1.00 0.48 H new ATOM 0 HB2 SER A 35 12.839 -1.055 -2.082 1.00 0.69 H new ATOM 0 HB3 SER A 35 12.914 -1.998 -0.606 1.00 0.69 H new ATOM 0 HG SER A 35 15.025 -1.518 -1.450 1.00 1.55 H new ATOM 547 N MET A 36 10.819 -2.457 -4.111 1.00 0.58 N ATOM 548 CA MET A 36 10.385 -2.140 -5.462 1.00 0.76 C ATOM 549 C MET A 36 9.466 -0.924 -5.438 1.00 0.87 C ATOM 550 O MET A 36 9.160 -0.380 -4.373 1.00 0.94 O ATOM 551 CB MET A 36 9.624 -3.324 -6.065 1.00 0.81 C ATOM 552 CG MET A 36 10.478 -4.549 -6.337 1.00 1.07 C ATOM 553 SD MET A 36 9.485 -6.014 -6.698 1.00 1.38 S ATOM 554 CE MET A 36 8.343 -5.368 -7.920 1.00 1.15 C ATOM 0 H MET A 36 10.080 -2.371 -3.413 1.00 0.58 H new ATOM 0 HA MET A 36 11.266 -1.927 -6.068 1.00 0.76 H new ATOM 0 HB2 MET A 36 8.816 -3.603 -5.388 1.00 0.81 H new ATOM 0 HB3 MET A 36 9.162 -3.005 -6.999 1.00 0.81 H new ATOM 0 HG2 MET A 36 11.141 -4.347 -7.178 1.00 1.07 H new ATOM 0 HG3 MET A 36 11.111 -4.747 -5.472 1.00 1.07 H new ATOM 0 HE1 MET A 36 7.824 -6.194 -8.405 1.00 1.15 H new ATOM 0 HE2 MET A 36 7.616 -4.719 -7.431 1.00 1.15 H new ATOM 0 HE3 MET A 36 8.894 -4.797 -8.667 1.00 1.15 H new ATOM 564 N ASN A 37 9.020 -0.500 -6.608 1.00 1.03 N ATOM 565 CA ASN A 37 8.023 0.556 -6.703 1.00 1.17 C ATOM 566 C ASN A 37 6.747 -0.018 -7.298 1.00 0.99 C ATOM 567 O ASN A 37 6.804 -0.829 -8.221 1.00 1.03 O ATOM 568 CB ASN A 37 8.527 1.732 -7.554 1.00 1.55 C ATOM 569 CG ASN A 37 9.708 2.462 -6.931 1.00 2.18 C ATOM 570 OD1 ASN A 37 10.553 3.009 -7.640 1.00 2.78 O ATOM 571 ND2 ASN A 37 9.778 2.479 -5.608 1.00 2.51 N ATOM 0 H ASN A 37 9.332 -0.870 -7.506 1.00 1.03 H new ATOM 0 HA ASN A 37 7.825 0.940 -5.702 1.00 1.17 H new ATOM 0 HB2 ASN A 37 8.815 1.362 -8.538 1.00 1.55 H new ATOM 0 HB3 ASN A 37 7.711 2.438 -7.705 1.00 1.55 H new ATOM 0 HD21 ASN A 37 10.551 2.957 -5.144 1.00 2.51 H new ATOM 0 HD22 ASN A 37 9.059 2.015 -5.053 1.00 2.51 H new ATOM 578 N MET A 38 5.602 0.385 -6.766 1.00 1.01 N ATOM 579 CA MET A 38 4.324 -0.157 -7.215 1.00 0.99 C ATOM 580 C MET A 38 3.981 0.348 -8.606 1.00 0.86 C ATOM 581 O MET A 38 4.010 1.550 -8.861 1.00 0.81 O ATOM 582 CB MET A 38 3.201 0.211 -6.242 1.00 1.23 C ATOM 583 CG MET A 38 1.829 -0.273 -6.692 1.00 0.95 C ATOM 584 SD MET A 38 0.510 0.203 -5.559 1.00 1.15 S ATOM 585 CE MET A 38 1.034 -0.629 -4.065 1.00 1.32 C ATOM 0 H MET A 38 5.530 1.083 -6.026 1.00 1.01 H new ATOM 0 HA MET A 38 4.420 -1.242 -7.247 1.00 0.99 H new ATOM 0 HB2 MET A 38 3.425 -0.213 -5.263 1.00 1.23 H new ATOM 0 HB3 MET A 38 3.175 1.294 -6.122 1.00 1.23 H new ATOM 0 HG2 MET A 38 1.614 0.130 -7.682 1.00 0.95 H new ATOM 0 HG3 MET A 38 1.845 -1.359 -6.787 1.00 0.95 H new ATOM 0 HE1 MET A 38 0.171 -0.801 -3.422 1.00 1.32 H new ATOM 0 HE2 MET A 38 1.491 -1.585 -4.322 1.00 1.32 H new ATOM 0 HE3 MET A 38 1.760 -0.009 -3.539 1.00 1.32 H new ATOM 595 N PRO A 39 3.681 -0.573 -9.532 1.00 0.92 N ATOM 596 CA PRO A 39 3.220 -0.211 -10.866 1.00 0.91 C ATOM 597 C PRO A 39 1.856 0.468 -10.814 1.00 0.76 C ATOM 598 O PRO A 39 0.854 -0.143 -10.430 1.00 0.83 O ATOM 599 CB PRO A 39 3.136 -1.546 -11.609 1.00 1.16 C ATOM 600 CG PRO A 39 3.074 -2.591 -10.547 1.00 1.24 C ATOM 601 CD PRO A 39 3.792 -2.030 -9.353 1.00 1.13 C ATOM 0 HA PRO A 39 3.886 0.500 -11.354 1.00 0.91 H new ATOM 0 HB2 PRO A 39 2.254 -1.584 -12.249 1.00 1.16 H new ATOM 0 HB3 PRO A 39 4.003 -1.692 -12.253 1.00 1.16 H new ATOM 0 HG2 PRO A 39 2.040 -2.832 -10.300 1.00 1.24 H new ATOM 0 HG3 PRO A 39 3.545 -3.515 -10.884 1.00 1.24 H new ATOM 0 HD2 PRO A 39 3.332 -2.355 -8.420 1.00 1.13 H new ATOM 0 HD3 PRO A 39 4.833 -2.352 -9.324 1.00 1.13 H new ATOM 609 N GLU A 40 1.829 1.735 -11.191 1.00 0.77 N ATOM 610 CA GLU A 40 0.616 2.535 -11.119 1.00 0.69 C ATOM 611 C GLU A 40 -0.467 1.941 -12.018 1.00 0.73 C ATOM 612 O GLU A 40 -0.224 1.634 -13.188 1.00 1.09 O ATOM 613 CB GLU A 40 0.919 3.989 -11.509 1.00 0.76 C ATOM 614 CG GLU A 40 -0.237 4.943 -11.247 1.00 0.72 C ATOM 615 CD GLU A 40 0.133 6.398 -11.433 1.00 0.94 C ATOM 616 OE1 GLU A 40 0.587 7.035 -10.459 1.00 1.09 O ATOM 617 OE2 GLU A 40 -0.062 6.921 -12.549 1.00 1.15 O ATOM 0 H GLU A 40 2.640 2.236 -11.553 1.00 0.77 H new ATOM 0 HA GLU A 40 0.246 2.526 -10.094 1.00 0.69 H new ATOM 0 HB2 GLU A 40 1.794 4.330 -10.955 1.00 0.76 H new ATOM 0 HB3 GLU A 40 1.177 4.026 -12.567 1.00 0.76 H new ATOM 0 HG2 GLU A 40 -1.061 4.697 -11.917 1.00 0.72 H new ATOM 0 HG3 GLU A 40 -0.598 4.794 -10.229 1.00 0.72 H new ATOM 624 N GLY A 41 -1.653 1.752 -11.454 1.00 0.64 N ATOM 625 CA GLY A 41 -2.751 1.168 -12.197 1.00 0.66 C ATOM 626 C GLY A 41 -3.077 -0.248 -11.750 1.00 0.62 C ATOM 627 O GLY A 41 -4.182 -0.741 -11.986 1.00 0.68 O ATOM 0 H GLY A 41 -1.874 1.995 -10.488 1.00 0.64 H new ATOM 0 HA2 GLY A 41 -3.636 1.794 -12.081 1.00 0.66 H new ATOM 0 HA3 GLY A 41 -2.503 1.161 -13.258 1.00 0.66 H new ATOM 631 N LYS A 42 -2.124 -0.898 -11.094 1.00 0.59 N ATOM 632 CA LYS A 42 -2.291 -2.284 -10.662 1.00 0.59 C ATOM 633 C LYS A 42 -2.927 -2.376 -9.284 1.00 0.52 C ATOM 634 O LYS A 42 -2.374 -1.873 -8.306 1.00 0.54 O ATOM 635 CB LYS A 42 -0.935 -2.979 -10.614 1.00 0.67 C ATOM 636 CG LYS A 42 -0.254 -3.113 -11.964 1.00 0.85 C ATOM 637 CD LYS A 42 -0.672 -4.393 -12.667 1.00 1.45 C ATOM 638 CE LYS A 42 -0.197 -5.627 -11.909 1.00 1.85 C ATOM 639 NZ LYS A 42 -0.522 -6.887 -12.629 1.00 2.30 N ATOM 0 H LYS A 42 -1.223 -0.488 -10.848 1.00 0.59 H new ATOM 0 HA LYS A 42 -2.949 -2.769 -11.383 1.00 0.59 H new ATOM 0 HB2 LYS A 42 -0.279 -2.425 -9.943 1.00 0.67 H new ATOM 0 HB3 LYS A 42 -1.064 -3.973 -10.185 1.00 0.67 H new ATOM 0 HG2 LYS A 42 -0.505 -2.255 -12.587 1.00 0.85 H new ATOM 0 HG3 LYS A 42 0.828 -3.105 -11.831 1.00 0.85 H new ATOM 0 HD2 LYS A 42 -1.757 -4.419 -12.763 1.00 1.45 H new ATOM 0 HD3 LYS A 42 -0.262 -4.405 -13.677 1.00 1.45 H new ATOM 0 HE2 LYS A 42 0.880 -5.565 -11.756 1.00 1.85 H new ATOM 0 HE3 LYS A 42 -0.659 -5.645 -10.922 1.00 1.85 H new ATOM 0 HZ1 LYS A 42 -0.181 -7.700 -12.077 1.00 2.30 H new ATOM 0 HZ2 LYS A 42 -1.552 -6.960 -12.753 1.00 2.30 H new ATOM 0 HZ3 LYS A 42 -0.061 -6.883 -13.561 1.00 2.30 H new ATOM 653 N VAL A 43 -4.080 -3.022 -9.207 1.00 0.48 N ATOM 654 CA VAL A 43 -4.698 -3.316 -7.925 1.00 0.45 C ATOM 655 C VAL A 43 -4.288 -4.712 -7.469 1.00 0.39 C ATOM 656 O VAL A 43 -4.245 -5.649 -8.268 1.00 0.46 O ATOM 657 CB VAL A 43 -6.242 -3.183 -7.974 1.00 0.54 C ATOM 658 CG1 VAL A 43 -6.857 -4.147 -8.975 1.00 0.69 C ATOM 659 CG2 VAL A 43 -6.852 -3.387 -6.596 1.00 0.93 C ATOM 0 H VAL A 43 -4.606 -3.352 -10.016 1.00 0.48 H new ATOM 0 HA VAL A 43 -4.344 -2.580 -7.204 1.00 0.45 H new ATOM 0 HB VAL A 43 -6.467 -2.169 -8.305 1.00 0.54 H new ATOM 0 HG11 VAL A 43 -7.940 -4.024 -8.981 1.00 0.69 H new ATOM 0 HG12 VAL A 43 -6.463 -3.939 -9.970 1.00 0.69 H new ATOM 0 HG13 VAL A 43 -6.610 -5.171 -8.694 1.00 0.69 H new ATOM 0 HG21 VAL A 43 -7.936 -3.288 -6.660 1.00 0.93 H new ATOM 0 HG22 VAL A 43 -6.599 -4.382 -6.230 1.00 0.93 H new ATOM 0 HG23 VAL A 43 -6.459 -2.637 -5.909 1.00 0.93 H new ATOM 669 N MET A 44 -3.952 -4.844 -6.197 1.00 0.35 N ATOM 670 CA MET A 44 -3.495 -6.116 -5.658 1.00 0.36 C ATOM 671 C MET A 44 -4.219 -6.443 -4.361 1.00 0.34 C ATOM 672 O MET A 44 -4.725 -5.546 -3.680 1.00 0.39 O ATOM 673 CB MET A 44 -1.981 -6.087 -5.426 1.00 0.46 C ATOM 674 CG MET A 44 -1.170 -5.996 -6.711 1.00 0.76 C ATOM 675 SD MET A 44 0.601 -5.825 -6.413 1.00 1.31 S ATOM 676 CE MET A 44 0.657 -4.216 -5.622 1.00 1.20 C ATOM 0 H MET A 44 -3.987 -4.085 -5.516 1.00 0.35 H new ATOM 0 HA MET A 44 -3.723 -6.895 -6.386 1.00 0.36 H new ATOM 0 HB2 MET A 44 -1.735 -5.237 -4.790 1.00 0.46 H new ATOM 0 HB3 MET A 44 -1.688 -6.986 -4.884 1.00 0.46 H new ATOM 0 HG2 MET A 44 -1.348 -6.889 -7.311 1.00 0.76 H new ATOM 0 HG3 MET A 44 -1.519 -5.145 -7.295 1.00 0.76 H new ATOM 0 HE1 MET A 44 1.666 -3.810 -5.695 1.00 1.20 H new ATOM 0 HE2 MET A 44 -0.042 -3.542 -6.117 1.00 1.20 H new ATOM 0 HE3 MET A 44 0.382 -4.317 -4.572 1.00 1.20 H new ATOM 686 N GLU A 45 -4.259 -7.727 -4.024 1.00 0.31 N ATOM 687 CA GLU A 45 -4.938 -8.183 -2.826 1.00 0.34 C ATOM 688 C GLU A 45 -3.997 -8.260 -1.634 1.00 0.30 C ATOM 689 O GLU A 45 -2.796 -8.508 -1.767 1.00 0.35 O ATOM 690 CB GLU A 45 -5.564 -9.562 -3.042 1.00 0.47 C ATOM 691 CG GLU A 45 -6.991 -9.530 -3.555 1.00 0.99 C ATOM 692 CD GLU A 45 -7.125 -8.918 -4.930 1.00 1.17 C ATOM 693 OE1 GLU A 45 -6.732 -9.577 -5.911 1.00 1.43 O ATOM 694 OE2 GLU A 45 -7.651 -7.793 -5.035 1.00 1.64 O ATOM 0 H GLU A 45 -3.825 -8.471 -4.570 1.00 0.31 H new ATOM 0 HA GLU A 45 -5.717 -7.450 -2.615 1.00 0.34 H new ATOM 0 HB2 GLU A 45 -4.949 -10.120 -3.749 1.00 0.47 H new ATOM 0 HB3 GLU A 45 -5.542 -10.109 -2.099 1.00 0.47 H new ATOM 0 HG2 GLU A 45 -7.383 -10.547 -3.579 1.00 0.99 H new ATOM 0 HG3 GLU A 45 -7.608 -8.967 -2.854 1.00 0.99 H new ATOM 701 N THR A 46 -4.580 -8.066 -0.471 1.00 0.29 N ATOM 702 CA THR A 46 -3.883 -8.253 0.782 1.00 0.31 C ATOM 703 C THR A 46 -4.203 -9.635 1.320 1.00 0.39 C ATOM 704 O THR A 46 -5.123 -10.288 0.822 1.00 0.49 O ATOM 705 CB THR A 46 -4.295 -7.197 1.811 1.00 0.42 C ATOM 706 OG1 THR A 46 -5.722 -7.155 1.901 1.00 0.53 O ATOM 707 CG2 THR A 46 -3.755 -5.825 1.431 1.00 0.50 C ATOM 0 H THR A 46 -5.552 -7.774 -0.368 1.00 0.29 H new ATOM 0 HA THR A 46 -2.813 -8.151 0.604 1.00 0.31 H new ATOM 0 HB THR A 46 -3.874 -7.468 2.779 1.00 0.42 H new ATOM 0 HG1 THR A 46 -6.076 -6.556 1.211 1.00 0.53 H new ATOM 0 HG21 THR A 46 -4.062 -5.093 2.178 1.00 0.50 H new ATOM 0 HG22 THR A 46 -2.667 -5.862 1.385 1.00 0.50 H new ATOM 0 HG23 THR A 46 -4.149 -5.536 0.457 1.00 0.50 H new ATOM 715 N ARG A 47 -3.436 -10.093 2.301 1.00 0.39 N ATOM 716 CA ARG A 47 -3.662 -11.399 2.927 1.00 0.51 C ATOM 717 C ARG A 47 -5.124 -11.643 3.285 1.00 0.72 C ATOM 718 O ARG A 47 -5.620 -12.763 3.170 1.00 0.92 O ATOM 719 CB ARG A 47 -2.863 -11.520 4.221 1.00 0.54 C ATOM 720 CG ARG A 47 -1.364 -11.367 4.083 1.00 0.95 C ATOM 721 CD ARG A 47 -0.693 -11.495 5.444 1.00 1.27 C ATOM 722 NE ARG A 47 -1.313 -10.613 6.442 1.00 2.09 N ATOM 723 CZ ARG A 47 -0.634 -9.929 7.363 1.00 2.77 C ATOM 724 NH1 ARG A 47 0.671 -10.120 7.509 1.00 2.94 N ATOM 725 NH2 ARG A 47 -1.270 -9.076 8.161 1.00 3.73 N ATOM 0 H ARG A 47 -2.644 -9.578 2.686 1.00 0.39 H new ATOM 0 HA ARG A 47 -3.345 -12.134 2.187 1.00 0.51 H new ATOM 0 HB2 ARG A 47 -3.224 -10.766 4.921 1.00 0.54 H new ATOM 0 HB3 ARG A 47 -3.071 -12.493 4.665 1.00 0.54 H new ATOM 0 HG2 ARG A 47 -0.975 -12.127 3.405 1.00 0.95 H new ATOM 0 HG3 ARG A 47 -1.129 -10.397 3.644 1.00 0.95 H new ATOM 0 HD2 ARG A 47 -0.755 -12.529 5.784 1.00 1.27 H new ATOM 0 HD3 ARG A 47 0.366 -11.252 5.352 1.00 1.27 H new ATOM 0 HE ARG A 47 -2.328 -10.518 6.429 1.00 2.09 H new ATOM 0 HH11 ARG A 47 1.158 -10.792 6.916 1.00 2.94 H new ATOM 0 HH12 ARG A 47 1.187 -9.595 8.215 1.00 2.94 H new ATOM 0 HH21 ARG A 47 -2.277 -8.945 8.068 1.00 3.73 H new ATOM 0 HH22 ARG A 47 -0.750 -8.553 8.866 1.00 3.73 H new ATOM 739 N ASP A 48 -5.814 -10.595 3.709 1.00 0.78 N ATOM 740 CA ASP A 48 -7.121 -10.768 4.313 1.00 1.06 C ATOM 741 C ASP A 48 -8.249 -10.557 3.319 1.00 1.04 C ATOM 742 O ASP A 48 -9.144 -11.395 3.202 1.00 1.45 O ATOM 743 CB ASP A 48 -7.286 -9.839 5.507 1.00 1.30 C ATOM 744 CG ASP A 48 -8.623 -10.023 6.195 1.00 1.83 C ATOM 745 OD1 ASP A 48 -9.033 -11.179 6.408 1.00 2.70 O ATOM 746 OD2 ASP A 48 -9.282 -9.010 6.506 1.00 1.79 O ATOM 0 H ASP A 48 -5.494 -9.629 3.646 1.00 0.78 H new ATOM 0 HA ASP A 48 -7.180 -11.802 4.654 1.00 1.06 H new ATOM 0 HB2 ASP A 48 -6.483 -10.022 6.221 1.00 1.30 H new ATOM 0 HB3 ASP A 48 -7.189 -8.805 5.177 1.00 1.30 H new ATOM 751 N GLY A 49 -8.209 -9.458 2.590 1.00 0.68 N ATOM 752 CA GLY A 49 -9.262 -9.200 1.640 1.00 0.72 C ATOM 753 C GLY A 49 -9.546 -7.731 1.432 1.00 0.70 C ATOM 754 O GLY A 49 -10.686 -7.346 1.178 1.00 0.77 O ATOM 0 H GLY A 49 -7.477 -8.749 2.637 1.00 0.68 H new ATOM 0 HA2 GLY A 49 -8.994 -9.648 0.683 1.00 0.72 H new ATOM 0 HA3 GLY A 49 -10.173 -9.693 1.979 1.00 0.72 H new ATOM 758 N THR A 50 -8.530 -6.895 1.540 1.00 0.65 N ATOM 759 CA THR A 50 -8.681 -5.510 1.120 1.00 0.69 C ATOM 760 C THR A 50 -7.776 -5.269 -0.082 1.00 0.55 C ATOM 761 O THR A 50 -6.800 -6.000 -0.284 1.00 0.52 O ATOM 762 CB THR A 50 -8.389 -4.485 2.252 1.00 0.83 C ATOM 763 OG1 THR A 50 -8.762 -3.168 1.831 1.00 1.25 O ATOM 764 CG2 THR A 50 -6.925 -4.474 2.649 1.00 1.35 C ATOM 0 H THR A 50 -7.610 -7.140 1.906 1.00 0.65 H new ATOM 0 HA THR A 50 -9.725 -5.352 0.851 1.00 0.69 H new ATOM 0 HB THR A 50 -8.977 -4.790 3.118 1.00 0.83 H new ATOM 0 HG1 THR A 50 -9.553 -2.877 2.331 1.00 1.25 H new ATOM 0 HG21 THR A 50 -6.769 -3.743 3.442 1.00 1.35 H new ATOM 0 HG22 THR A 50 -6.637 -5.463 3.005 1.00 1.35 H new ATOM 0 HG23 THR A 50 -6.316 -4.208 1.785 1.00 1.35 H new ATOM 772 N LYS A 51 -8.103 -4.271 -0.882 1.00 0.53 N ATOM 773 CA LYS A 51 -7.420 -4.056 -2.145 1.00 0.52 C ATOM 774 C LYS A 51 -6.769 -2.687 -2.173 1.00 0.51 C ATOM 775 O LYS A 51 -7.291 -1.729 -1.592 1.00 0.56 O ATOM 776 CB LYS A 51 -8.408 -4.180 -3.305 1.00 0.59 C ATOM 777 CG LYS A 51 -9.193 -5.481 -3.304 1.00 0.67 C ATOM 778 CD LYS A 51 -10.210 -5.517 -4.428 1.00 1.19 C ATOM 779 CE LYS A 51 -11.060 -6.773 -4.360 1.00 1.26 C ATOM 780 NZ LYS A 51 -10.246 -8.011 -4.486 1.00 1.84 N ATOM 0 H LYS A 51 -8.839 -3.595 -0.679 1.00 0.53 H new ATOM 0 HA LYS A 51 -6.645 -4.815 -2.249 1.00 0.52 H new ATOM 0 HB2 LYS A 51 -9.107 -3.345 -3.266 1.00 0.59 H new ATOM 0 HB3 LYS A 51 -7.863 -4.096 -4.245 1.00 0.59 H new ATOM 0 HG2 LYS A 51 -8.507 -6.321 -3.406 1.00 0.67 H new ATOM 0 HG3 LYS A 51 -9.702 -5.599 -2.347 1.00 0.67 H new ATOM 0 HD2 LYS A 51 -10.851 -4.637 -4.370 1.00 1.19 H new ATOM 0 HD3 LYS A 51 -9.696 -5.474 -5.388 1.00 1.19 H new ATOM 0 HE2 LYS A 51 -11.602 -6.792 -3.415 1.00 1.26 H new ATOM 0 HE3 LYS A 51 -11.806 -6.748 -5.155 1.00 1.26 H new ATOM 0 HZ1 LYS A 51 -10.799 -8.742 -4.977 1.00 1.84 H new ATOM 0 HZ2 LYS A 51 -9.384 -7.806 -5.030 1.00 1.84 H new ATOM 0 HZ3 LYS A 51 -9.985 -8.353 -3.539 1.00 1.84 H new ATOM 794 N ILE A 52 -5.623 -2.605 -2.832 1.00 0.47 N ATOM 795 CA ILE A 52 -4.906 -1.349 -2.984 1.00 0.46 C ATOM 796 C ILE A 52 -4.392 -1.185 -4.415 1.00 0.46 C ATOM 797 O ILE A 52 -4.138 -2.169 -5.109 1.00 0.52 O ATOM 798 CB ILE A 52 -3.712 -1.258 -2.005 1.00 0.48 C ATOM 799 CG1 ILE A 52 -2.773 -2.453 -2.204 1.00 0.49 C ATOM 800 CG2 ILE A 52 -4.205 -1.199 -0.566 1.00 0.66 C ATOM 801 CD1 ILE A 52 -1.587 -2.463 -1.268 1.00 0.51 C ATOM 0 H ILE A 52 -5.166 -3.403 -3.274 1.00 0.47 H new ATOM 0 HA ILE A 52 -5.611 -0.549 -2.757 1.00 0.46 H new ATOM 0 HB ILE A 52 -3.159 -0.342 -2.214 1.00 0.48 H new ATOM 0 HG12 ILE A 52 -3.339 -3.374 -2.067 1.00 0.49 H new ATOM 0 HG13 ILE A 52 -2.412 -2.451 -3.232 1.00 0.49 H new ATOM 0 HG21 ILE A 52 -3.351 -1.135 0.109 1.00 0.66 H new ATOM 0 HG22 ILE A 52 -4.838 -0.322 -0.434 1.00 0.66 H new ATOM 0 HG23 ILE A 52 -4.779 -2.098 -0.341 1.00 0.66 H new ATOM 0 HD11 ILE A 52 -0.971 -3.339 -1.471 1.00 0.51 H new ATOM 0 HD12 ILE A 52 -0.996 -1.560 -1.420 1.00 0.51 H new ATOM 0 HD13 ILE A 52 -1.938 -2.497 -0.237 1.00 0.51 H new ATOM 813 N ILE A 53 -4.247 0.065 -4.844 1.00 0.42 N ATOM 814 CA ILE A 53 -3.691 0.381 -6.171 1.00 0.41 C ATOM 815 C ILE A 53 -3.185 1.821 -6.211 1.00 0.42 C ATOM 816 O ILE A 53 -3.745 2.698 -5.570 1.00 0.44 O ATOM 817 CB ILE A 53 -4.691 0.101 -7.351 1.00 0.40 C ATOM 818 CG1 ILE A 53 -4.249 0.765 -8.671 1.00 0.43 C ATOM 819 CG2 ILE A 53 -6.101 0.523 -7.001 1.00 0.42 C ATOM 820 CD1 ILE A 53 -4.911 2.102 -8.964 1.00 0.98 C ATOM 0 H ILE A 53 -4.506 0.884 -4.295 1.00 0.42 H new ATOM 0 HA ILE A 53 -2.851 -0.297 -6.324 1.00 0.41 H new ATOM 0 HB ILE A 53 -4.680 -0.978 -7.504 1.00 0.40 H new ATOM 0 HG12 ILE A 53 -3.169 0.908 -8.646 1.00 0.43 H new ATOM 0 HG13 ILE A 53 -4.461 0.082 -9.494 1.00 0.43 H new ATOM 0 HG21 ILE A 53 -6.763 0.314 -7.841 1.00 0.42 H new ATOM 0 HG22 ILE A 53 -6.440 -0.031 -6.126 1.00 0.42 H new ATOM 0 HG23 ILE A 53 -6.118 1.591 -6.783 1.00 0.42 H new ATOM 0 HD11 ILE A 53 -4.539 2.492 -9.911 1.00 0.98 H new ATOM 0 HD12 ILE A 53 -5.991 1.967 -9.026 1.00 0.98 H new ATOM 0 HD13 ILE A 53 -4.679 2.806 -8.165 1.00 0.98 H new ATOM 832 N MET A 54 -2.135 2.060 -6.982 1.00 0.44 N ATOM 833 CA MET A 54 -1.517 3.377 -7.061 1.00 0.47 C ATOM 834 C MET A 54 -2.046 4.107 -8.287 1.00 0.48 C ATOM 835 O MET A 54 -2.072 3.545 -9.380 1.00 0.54 O ATOM 836 CB MET A 54 0.006 3.231 -7.146 1.00 0.52 C ATOM 837 CG MET A 54 0.749 4.545 -7.309 1.00 0.60 C ATOM 838 SD MET A 54 2.533 4.320 -7.440 1.00 1.08 S ATOM 839 CE MET A 54 3.048 5.986 -7.846 1.00 1.50 C ATOM 0 H MET A 54 -1.689 1.353 -7.567 1.00 0.44 H new ATOM 0 HA MET A 54 -1.763 3.952 -6.168 1.00 0.47 H new ATOM 0 HB2 MET A 54 0.363 2.734 -6.244 1.00 0.52 H new ATOM 0 HB3 MET A 54 0.251 2.581 -7.986 1.00 0.52 H new ATOM 0 HG2 MET A 54 0.384 5.056 -8.200 1.00 0.60 H new ATOM 0 HG3 MET A 54 0.529 5.191 -6.459 1.00 0.60 H new ATOM 0 HE1 MET A 54 4.053 5.964 -8.268 1.00 1.50 H new ATOM 0 HE2 MET A 54 2.358 6.413 -8.574 1.00 1.50 H new ATOM 0 HE3 MET A 54 3.047 6.597 -6.943 1.00 1.50 H new ATOM 849 N LYS A 55 -2.500 5.338 -8.099 1.00 0.52 N ATOM 850 CA LYS A 55 -3.028 6.135 -9.198 1.00 0.58 C ATOM 851 C LYS A 55 -2.677 7.605 -8.997 1.00 0.66 C ATOM 852 O LYS A 55 -2.926 8.160 -7.926 1.00 0.70 O ATOM 853 CB LYS A 55 -4.547 5.968 -9.295 1.00 0.72 C ATOM 854 CG LYS A 55 -5.161 6.646 -10.510 1.00 0.95 C ATOM 855 CD LYS A 55 -4.659 6.022 -11.803 1.00 0.94 C ATOM 856 CE LYS A 55 -5.212 6.745 -13.021 1.00 1.11 C ATOM 857 NZ LYS A 55 -4.720 6.145 -14.288 1.00 1.69 N ATOM 0 H LYS A 55 -2.513 5.808 -7.194 1.00 0.52 H new ATOM 0 HA LYS A 55 -2.577 5.787 -10.127 1.00 0.58 H new ATOM 0 HB2 LYS A 55 -4.785 4.905 -9.324 1.00 0.72 H new ATOM 0 HB3 LYS A 55 -5.006 6.373 -8.393 1.00 0.72 H new ATOM 0 HG2 LYS A 55 -6.247 6.567 -10.463 1.00 0.95 H new ATOM 0 HG3 LYS A 55 -4.918 7.708 -10.498 1.00 0.95 H new ATOM 0 HD2 LYS A 55 -3.570 6.052 -11.824 1.00 0.94 H new ATOM 0 HD3 LYS A 55 -4.950 4.972 -11.839 1.00 0.94 H new ATOM 0 HE2 LYS A 55 -6.301 6.710 -13.001 1.00 1.11 H new ATOM 0 HE3 LYS A 55 -4.926 7.796 -12.981 1.00 1.11 H new ATOM 0 HZ1 LYS A 55 -5.118 6.665 -15.096 1.00 1.69 H new ATOM 0 HZ2 LYS A 55 -3.682 6.201 -14.318 1.00 1.69 H new ATOM 0 HZ3 LYS A 55 -5.015 5.149 -14.338 1.00 1.69 H new ATOM 871 N GLY A 56 -2.091 8.228 -10.019 1.00 0.77 N ATOM 872 CA GLY A 56 -1.748 9.638 -9.943 1.00 0.93 C ATOM 873 C GLY A 56 -0.758 9.934 -8.836 1.00 0.94 C ATOM 874 O GLY A 56 -0.852 10.968 -8.169 1.00 1.21 O ATOM 0 H GLY A 56 -1.847 7.778 -10.901 1.00 0.77 H new ATOM 0 HA2 GLY A 56 -1.329 9.959 -10.897 1.00 0.93 H new ATOM 0 HA3 GLY A 56 -2.655 10.221 -9.781 1.00 0.93 H new ATOM 878 N ASN A 57 0.188 9.010 -8.639 1.00 0.99 N ATOM 879 CA ASN A 57 1.199 9.121 -7.580 1.00 1.05 C ATOM 880 C ASN A 57 0.547 9.152 -6.201 1.00 0.97 C ATOM 881 O ASN A 57 1.107 9.665 -5.233 1.00 1.15 O ATOM 882 CB ASN A 57 2.095 10.346 -7.798 1.00 1.30 C ATOM 883 CG ASN A 57 3.167 10.095 -8.847 1.00 1.96 C ATOM 884 OD1 ASN A 57 4.254 10.673 -8.793 1.00 2.10 O ATOM 885 ND2 ASN A 57 2.877 9.220 -9.802 1.00 2.90 N ATOM 0 H ASN A 57 0.275 8.167 -9.206 1.00 0.99 H new ATOM 0 HA ASN A 57 1.832 8.235 -7.628 1.00 1.05 H new ATOM 0 HB2 ASN A 57 1.481 11.193 -8.104 1.00 1.30 H new ATOM 0 HB3 ASN A 57 2.569 10.620 -6.855 1.00 1.30 H new ATOM 0 HD21 ASN A 57 3.565 9.006 -10.524 1.00 2.90 H new ATOM 0 HD22 ASN A 57 1.966 8.761 -9.814 1.00 2.90 H new ATOM 892 N GLU A 58 -0.641 8.571 -6.135 1.00 0.86 N ATOM 893 CA GLU A 58 -1.352 8.365 -4.883 1.00 0.84 C ATOM 894 C GLU A 58 -1.752 6.911 -4.794 1.00 0.69 C ATOM 895 O GLU A 58 -1.328 6.104 -5.619 1.00 0.75 O ATOM 896 CB GLU A 58 -2.603 9.233 -4.803 1.00 0.88 C ATOM 897 CG GLU A 58 -2.318 10.725 -4.757 1.00 1.05 C ATOM 898 CD GLU A 58 -3.574 11.544 -4.579 1.00 1.30 C ATOM 899 OE1 GLU A 58 -4.332 11.701 -5.558 1.00 1.63 O ATOM 900 OE2 GLU A 58 -3.805 12.036 -3.454 1.00 1.66 O ATOM 0 H GLU A 58 -1.142 8.227 -6.954 1.00 0.86 H new ATOM 0 HA GLU A 58 -0.696 8.642 -4.058 1.00 0.84 H new ATOM 0 HB2 GLU A 58 -3.236 9.021 -5.665 1.00 0.88 H new ATOM 0 HB3 GLU A 58 -3.170 8.954 -3.915 1.00 0.88 H new ATOM 0 HG2 GLU A 58 -1.630 10.936 -3.938 1.00 1.05 H new ATOM 0 HG3 GLU A 58 -1.819 11.026 -5.678 1.00 1.05 H new ATOM 907 N ILE A 59 -2.587 6.567 -3.836 1.00 0.64 N ATOM 908 CA ILE A 59 -2.958 5.186 -3.671 1.00 0.56 C ATOM 909 C ILE A 59 -4.416 5.045 -3.251 1.00 0.55 C ATOM 910 O ILE A 59 -4.929 5.800 -2.424 1.00 0.63 O ATOM 911 CB ILE A 59 -2.012 4.461 -2.672 1.00 0.62 C ATOM 912 CG1 ILE A 59 -1.770 3.027 -3.139 1.00 0.79 C ATOM 913 CG2 ILE A 59 -2.569 4.472 -1.254 1.00 0.58 C ATOM 914 CD1 ILE A 59 -0.790 2.254 -2.282 1.00 0.92 C ATOM 0 H ILE A 59 -3.013 7.215 -3.173 1.00 0.64 H new ATOM 0 HA ILE A 59 -2.848 4.702 -4.641 1.00 0.56 H new ATOM 0 HB ILE A 59 -1.066 5.001 -2.652 1.00 0.62 H new ATOM 0 HG12 ILE A 59 -2.722 2.496 -3.153 1.00 0.79 H new ATOM 0 HG13 ILE A 59 -1.401 3.048 -4.165 1.00 0.79 H new ATOM 0 HG21 ILE A 59 -1.878 3.956 -0.588 1.00 0.58 H new ATOM 0 HG22 ILE A 59 -2.694 5.502 -0.920 1.00 0.58 H new ATOM 0 HG23 ILE A 59 -3.534 3.966 -1.238 1.00 0.58 H new ATOM 0 HD11 ILE A 59 -0.674 1.246 -2.681 1.00 0.92 H new ATOM 0 HD12 ILE A 59 0.176 2.760 -2.287 1.00 0.92 H new ATOM 0 HD13 ILE A 59 -1.165 2.199 -1.260 1.00 0.92 H new ATOM 926 N PHE A 60 -5.080 4.099 -3.878 1.00 0.48 N ATOM 927 CA PHE A 60 -6.372 3.631 -3.444 1.00 0.48 C ATOM 928 C PHE A 60 -6.124 2.609 -2.356 1.00 0.48 C ATOM 929 O PHE A 60 -5.543 1.553 -2.582 1.00 0.45 O ATOM 930 CB PHE A 60 -7.138 3.079 -4.673 1.00 0.50 C ATOM 931 CG PHE A 60 -8.018 1.858 -4.489 1.00 0.48 C ATOM 932 CD1 PHE A 60 -7.462 0.616 -4.235 1.00 0.44 C ATOM 933 CD2 PHE A 60 -9.396 1.969 -4.496 1.00 0.69 C ATOM 934 CE1 PHE A 60 -8.270 -0.482 -3.994 1.00 0.47 C ATOM 935 CE2 PHE A 60 -10.204 0.884 -4.268 1.00 0.71 C ATOM 936 CZ PHE A 60 -9.614 -0.410 -4.287 1.00 0.54 C ATOM 0 H PHE A 60 -4.731 3.629 -4.713 1.00 0.48 H new ATOM 0 HA PHE A 60 -7.002 4.417 -3.027 1.00 0.48 H new ATOM 0 HB2 PHE A 60 -7.763 3.883 -5.062 1.00 0.50 H new ATOM 0 HB3 PHE A 60 -6.403 2.845 -5.444 1.00 0.50 H new ATOM 0 HD1 PHE A 60 -6.388 0.503 -4.225 1.00 0.44 H new ATOM 0 HD2 PHE A 60 -9.847 2.932 -4.685 1.00 0.69 H new ATOM 0 HE1 PHE A 60 -7.850 -1.387 -3.580 1.00 0.47 H new ATOM 0 HE2 PHE A 60 -11.260 1.009 -4.079 1.00 0.71 H new ATOM 0 HZ PHE A 60 -10.191 -1.293 -4.520 1.00 0.54 H new ATOM 946 N ARG A 61 -6.459 2.999 -1.154 1.00 0.60 N ATOM 947 CA ARG A 61 -6.394 2.120 -0.017 1.00 0.70 C ATOM 948 C ARG A 61 -7.797 2.081 0.527 1.00 0.69 C ATOM 949 O ARG A 61 -8.262 3.071 1.107 1.00 0.88 O ATOM 950 CB ARG A 61 -5.378 2.630 1.015 1.00 1.03 C ATOM 951 CG ARG A 61 -5.006 1.617 2.088 1.00 1.21 C ATOM 952 CD ARG A 61 -5.976 1.640 3.260 1.00 1.51 C ATOM 953 NE ARG A 61 -6.006 2.948 3.921 1.00 2.25 N ATOM 954 CZ ARG A 61 -5.880 3.121 5.239 1.00 2.70 C ATOM 955 NH1 ARG A 61 -5.684 2.078 6.032 1.00 2.72 N ATOM 956 NH2 ARG A 61 -5.941 4.342 5.761 1.00 3.56 N ATOM 0 H ARG A 61 -6.786 3.940 -0.936 1.00 0.60 H new ATOM 0 HA ARG A 61 -6.050 1.120 -0.282 1.00 0.70 H new ATOM 0 HB2 ARG A 61 -4.472 2.937 0.493 1.00 1.03 H new ATOM 0 HB3 ARG A 61 -5.784 3.519 1.498 1.00 1.03 H new ATOM 0 HG2 ARG A 61 -4.989 0.618 1.652 1.00 1.21 H new ATOM 0 HG3 ARG A 61 -3.998 1.825 2.448 1.00 1.21 H new ATOM 0 HD2 ARG A 61 -6.976 1.389 2.908 1.00 1.51 H new ATOM 0 HD3 ARG A 61 -5.691 0.875 3.982 1.00 1.51 H new ATOM 0 HE ARG A 61 -6.131 3.776 3.339 1.00 2.25 H new ATOM 0 HH11 ARG A 61 -5.629 1.140 5.636 1.00 2.72 H new ATOM 0 HH12 ARG A 61 -5.588 2.213 7.038 1.00 2.72 H new ATOM 0 HH21 ARG A 61 -6.084 5.149 5.154 1.00 3.56 H new ATOM 0 HH22 ARG A 61 -5.844 4.471 6.768 1.00 3.56 H new ATOM 970 N LEU A 62 -8.451 0.943 0.345 1.00 0.78 N ATOM 971 CA LEU A 62 -9.916 0.878 0.342 1.00 1.07 C ATOM 972 C LEU A 62 -10.454 1.722 -0.816 1.00 1.19 C ATOM 973 O LEU A 62 -11.143 1.212 -1.696 1.00 1.40 O ATOM 974 CB LEU A 62 -10.508 1.406 1.657 1.00 1.26 C ATOM 975 CG LEU A 62 -10.672 0.386 2.777 1.00 1.08 C ATOM 976 CD1 LEU A 62 -11.711 -0.651 2.383 1.00 1.36 C ATOM 977 CD2 LEU A 62 -9.345 -0.280 3.107 1.00 1.32 C ATOM 0 H LEU A 62 -7.992 0.044 0.196 1.00 0.78 H new ATOM 0 HA LEU A 62 -10.207 -0.166 0.229 1.00 1.07 H new ATOM 0 HB2 LEU A 62 -9.872 2.214 2.019 1.00 1.26 H new ATOM 0 HB3 LEU A 62 -11.485 1.841 1.443 1.00 1.26 H new ATOM 0 HG LEU A 62 -11.014 0.905 3.672 1.00 1.08 H new ATOM 0 HD11 LEU A 62 -11.824 -1.377 3.188 1.00 1.36 H new ATOM 0 HD12 LEU A 62 -12.666 -0.158 2.202 1.00 1.36 H new ATOM 0 HD13 LEU A 62 -11.389 -1.162 1.476 1.00 1.36 H new ATOM 0 HD21 LEU A 62 -9.491 -1.003 3.909 1.00 1.32 H new ATOM 0 HD22 LEU A 62 -8.964 -0.791 2.223 1.00 1.32 H new ATOM 0 HD23 LEU A 62 -8.628 0.476 3.426 1.00 1.32 H new