USER MOD reduce.3.24.130724 H: found=0, std=0, add=418, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 419 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 CYS SG : rot -97:sc= 0.952 USER MOD Set 1.2: A 43 CYS SG : rot 101:sc= -0.201 USER MOD Set 2.1: A 18 ASN : amide:sc= -1.25 K(o=-1.5,f=0.84) USER MOD Set 2.2: A 24 THR OG1 : rot -126:sc= -0.223 USER MOD Set 3.1: A 15 LYS NZ :NH3+ -153:sc= 0 (180deg=0) USER MOD Set 3.2: A 40 ASN : amide:sc= -1.37 X(o=-1.4,f=-1.8!) USER MOD Set 4.1: A 8 THR OG1 : rot 131:sc= 0.246 USER MOD Set 4.2: A 10 SER OG : rot 180:sc= 0.237 USER MOD Set 5.1: A 7 CYS SG : rot -159:sc= 0.022 USER MOD Set 5.2: A 12 ASN : amide:sc= -2.89 K(o=-2.9,f=-4.1!) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 TYR OH : rot 30:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.0778 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 180:sc= -0.285 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 CYS SG : rot 9:sc= -0.195 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc=-0.00525 X(o=-0.0052,f=0) USER MOD Single : A 34 LYS NZ :NH3+ -154:sc=-0.00812 (180deg=-0.719) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 CYS SG : rot 155:sc= 0.113 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 ASN : amide:sc= -1.75 K(o=-1.7,f=-6.6!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc=-0.00504 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -1.07 K(o=-1.1,f=-5.4!) USER MOD Single : A 50 ASN : amide:sc= -0.444 X(o=-0.44,f=-0.073) USER MOD Single : A 54 CYS SG : rot 141:sc= 0.521 USER MOD ----------------------------------------------------------------- ATOM 11 N LYS A 2 -12.938 1.790 -0.763 1.00 0.00 N ATOM 12 CA LYS A 2 -11.725 1.030 -1.040 1.00 0.00 C ATOM 13 C LYS A 2 -10.710 1.883 -1.796 1.00 0.00 C ATOM 14 O LYS A 2 -11.023 2.984 -2.245 1.00 0.00 O ATOM 15 CB LYS A 2 -12.058 -0.224 -1.851 1.00 0.00 C ATOM 16 CG LYS A 2 -12.479 -1.407 -0.996 1.00 0.00 C ATOM 17 CD LYS A 2 -13.971 -1.677 -1.115 1.00 0.00 C ATOM 18 CE LYS A 2 -14.310 -3.108 -0.727 1.00 0.00 C ATOM 19 NZ LYS A 2 -15.561 -3.578 -1.384 1.00 0.00 N ATOM 0 HA LYS A 2 -11.286 0.733 -0.087 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -12.859 0.009 -2.553 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -11.187 -0.506 -2.443 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -11.922 -2.293 -1.300 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -12.225 -1.213 0.046 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -14.519 -0.986 -0.475 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -14.295 -1.490 -2.139 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -13.485 -3.765 -1.004 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -14.421 -3.175 0.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -15.758 -4.557 -1.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -16.353 -2.967 -1.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -15.447 -3.539 -2.417 1.00 0.00 H new ATOM 33 N TYR A 3 -9.494 1.364 -1.931 1.00 0.00 N ATOM 34 CA TYR A 3 -8.433 2.079 -2.632 1.00 0.00 C ATOM 35 C TYR A 3 -7.517 1.106 -3.369 1.00 0.00 C ATOM 36 O TYR A 3 -7.522 -0.096 -3.101 1.00 0.00 O ATOM 37 CB TYR A 3 -7.618 2.918 -1.647 1.00 0.00 C ATOM 38 CG TYR A 3 -8.468 3.696 -0.667 1.00 0.00 C ATOM 39 CD1 TYR A 3 -9.141 4.846 -1.062 1.00 0.00 C ATOM 40 CD2 TYR A 3 -8.596 3.283 0.653 1.00 0.00 C ATOM 41 CE1 TYR A 3 -9.917 5.560 -0.170 1.00 0.00 C ATOM 42 CE2 TYR A 3 -9.371 3.990 1.551 1.00 0.00 C ATOM 43 CZ TYR A 3 -10.030 5.128 1.135 1.00 0.00 C ATOM 44 OH TYR A 3 -10.802 5.837 2.027 1.00 0.00 O ATOM 0 H TYR A 3 -9.219 0.453 -1.565 1.00 0.00 H new ATOM 0 HA TYR A 3 -8.896 2.740 -3.365 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -6.947 2.262 -1.092 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -6.993 3.614 -2.206 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -9.056 5.187 -2.083 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -8.080 2.393 0.983 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -10.433 6.452 -0.493 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -9.461 3.654 2.573 1.00 0.00 H new ATOM 0 HH TYR A 3 -11.535 6.277 1.548 1.00 0.00 H new ATOM 54 N THR A 4 -6.729 1.636 -4.299 1.00 0.00 N ATOM 55 CA THR A 4 -5.807 0.818 -5.077 1.00 0.00 C ATOM 56 C THR A 4 -4.564 1.609 -5.467 1.00 0.00 C ATOM 57 O THR A 4 -4.647 2.791 -5.800 1.00 0.00 O ATOM 58 CB THR A 4 -6.477 0.274 -6.353 1.00 0.00 C ATOM 59 OG1 THR A 4 -7.895 0.202 -6.169 1.00 0.00 O ATOM 60 CG2 THR A 4 -5.934 -1.104 -6.703 1.00 0.00 C ATOM 0 H THR A 4 -6.711 2.629 -4.532 1.00 0.00 H new ATOM 0 HA THR A 4 -5.517 -0.020 -4.443 1.00 0.00 H new ATOM 0 HB THR A 4 -6.253 0.955 -7.174 1.00 0.00 H new ATOM 0 HG1 THR A 4 -8.314 -0.143 -6.985 1.00 0.00 H new ATOM 0 HG21 THR A 4 -6.421 -1.468 -7.607 1.00 0.00 H new ATOM 0 HG22 THR A 4 -4.859 -1.040 -6.871 1.00 0.00 H new ATOM 0 HG23 THR A 4 -6.132 -1.793 -5.882 1.00 0.00 H new ATOM 68 N GLY A 5 -3.410 0.950 -5.422 1.00 0.00 N ATOM 69 CA GLY A 5 -2.166 1.609 -5.774 1.00 0.00 C ATOM 70 C GLY A 5 -0.985 0.657 -5.776 1.00 0.00 C ATOM 71 O GLY A 5 -1.156 -0.555 -5.905 1.00 0.00 O ATOM 0 H GLY A 5 -3.315 -0.028 -5.148 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -2.265 2.062 -6.760 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -1.975 2.418 -5.069 1.00 0.00 H new ATOM 75 N LYS A 6 0.216 1.206 -5.632 1.00 0.00 N ATOM 76 CA LYS A 6 1.430 0.399 -5.617 1.00 0.00 C ATOM 77 C LYS A 6 2.438 0.951 -4.615 1.00 0.00 C ATOM 78 O LYS A 6 2.306 2.083 -4.147 1.00 0.00 O ATOM 79 CB LYS A 6 2.054 0.354 -7.013 1.00 0.00 C ATOM 80 CG LYS A 6 1.046 0.117 -8.124 1.00 0.00 C ATOM 81 CD LYS A 6 0.490 1.425 -8.662 1.00 0.00 C ATOM 82 CE LYS A 6 0.781 1.585 -10.146 1.00 0.00 C ATOM 83 NZ LYS A 6 -0.354 1.116 -10.987 1.00 0.00 N ATOM 0 H LYS A 6 0.375 2.208 -5.524 1.00 0.00 H new ATOM 0 HA LYS A 6 1.160 -0.613 -5.314 1.00 0.00 H new ATOM 0 HB2 LYS A 6 2.573 1.294 -7.200 1.00 0.00 H new ATOM 0 HB3 LYS A 6 2.805 -0.436 -7.041 1.00 0.00 H new ATOM 0 HG2 LYS A 6 1.520 -0.438 -8.934 1.00 0.00 H new ATOM 0 HG3 LYS A 6 0.229 -0.500 -7.750 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -0.587 1.460 -8.495 1.00 0.00 H new ATOM 0 HD3 LYS A 6 0.925 2.260 -8.113 1.00 0.00 H new ATOM 0 HE2 LYS A 6 0.987 2.633 -10.365 1.00 0.00 H new ATOM 0 HE3 LYS A 6 1.679 1.024 -10.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -0.117 1.242 -11.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -0.534 0.109 -10.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -1.205 1.669 -10.761 1.00 0.00 H new ATOM 97 N CYS A 7 3.444 0.147 -4.291 1.00 0.00 N ATOM 98 CA CYS A 7 4.475 0.556 -3.344 1.00 0.00 C ATOM 99 C CYS A 7 5.833 0.661 -4.031 1.00 0.00 C ATOM 100 O CYS A 7 6.044 0.097 -5.104 1.00 0.00 O ATOM 101 CB CYS A 7 4.554 -0.436 -2.182 1.00 0.00 C ATOM 102 SG CYS A 7 4.722 -2.162 -2.696 1.00 0.00 S ATOM 0 H CYS A 7 3.568 -0.792 -4.670 1.00 0.00 H new ATOM 0 HA CYS A 7 4.207 1.538 -2.955 1.00 0.00 H new ATOM 0 HB2 CYS A 7 5.402 -0.172 -1.550 1.00 0.00 H new ATOM 0 HB3 CYS A 7 3.657 -0.336 -1.571 1.00 0.00 H new ATOM 0 HG CYS A 7 4.344 -2.942 -1.727 1.00 0.00 H new ATOM 108 N THR A 8 6.752 1.391 -3.405 1.00 0.00 N ATOM 109 CA THR A 8 8.088 1.574 -3.958 1.00 0.00 C ATOM 110 C THR A 8 9.116 0.748 -3.192 1.00 0.00 C ATOM 111 O THR A 8 8.876 0.332 -2.059 1.00 0.00 O ATOM 112 CB THR A 8 8.511 3.054 -3.928 1.00 0.00 C ATOM 113 OG1 THR A 8 8.951 3.412 -2.612 1.00 0.00 O ATOM 114 CG2 THR A 8 7.358 3.955 -4.343 1.00 0.00 C ATOM 0 H THR A 8 6.595 1.865 -2.515 1.00 0.00 H new ATOM 0 HA THR A 8 8.051 1.236 -4.994 1.00 0.00 H new ATOM 0 HB THR A 8 9.330 3.188 -4.634 1.00 0.00 H new ATOM 0 HG1 THR A 8 9.815 3.871 -2.669 1.00 0.00 H new ATOM 0 HG21 THR A 8 7.681 4.996 -4.314 1.00 0.00 H new ATOM 0 HG22 THR A 8 7.044 3.701 -5.355 1.00 0.00 H new ATOM 0 HG23 THR A 8 6.522 3.815 -3.658 1.00 0.00 H new ATOM 122 N LYS A 9 10.265 0.513 -3.819 1.00 0.00 N ATOM 123 CA LYS A 9 11.332 -0.260 -3.198 1.00 0.00 C ATOM 124 C LYS A 9 11.903 0.473 -1.988 1.00 0.00 C ATOM 125 O LYS A 9 12.359 -0.152 -1.030 1.00 0.00 O ATOM 126 CB LYS A 9 12.445 -0.539 -4.210 1.00 0.00 C ATOM 127 CG LYS A 9 11.932 -0.969 -5.574 1.00 0.00 C ATOM 128 CD LYS A 9 13.049 -1.531 -6.438 1.00 0.00 C ATOM 129 CE LYS A 9 13.440 -2.934 -5.999 1.00 0.00 C ATOM 130 NZ LYS A 9 14.889 -3.029 -5.672 1.00 0.00 N ATOM 0 H LYS A 9 10.480 0.848 -4.758 1.00 0.00 H new ATOM 0 HA LYS A 9 10.910 -1.207 -2.861 1.00 0.00 H new ATOM 0 HB2 LYS A 9 13.053 0.358 -4.326 1.00 0.00 H new ATOM 0 HB3 LYS A 9 13.098 -1.317 -3.815 1.00 0.00 H new ATOM 0 HG2 LYS A 9 11.153 -1.721 -5.450 1.00 0.00 H new ATOM 0 HG3 LYS A 9 11.475 -0.117 -6.077 1.00 0.00 H new ATOM 0 HD2 LYS A 9 12.730 -1.550 -7.480 1.00 0.00 H new ATOM 0 HD3 LYS A 9 13.918 -0.876 -6.383 1.00 0.00 H new ATOM 0 HE2 LYS A 9 12.851 -3.219 -5.127 1.00 0.00 H new ATOM 0 HE3 LYS A 9 13.199 -3.643 -6.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 15.115 -4.000 -5.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 15.451 -2.782 -6.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 15.114 -2.371 -4.899 1.00 0.00 H new ATOM 144 N SER A 10 11.874 1.800 -2.038 1.00 0.00 N ATOM 145 CA SER A 10 12.390 2.618 -0.948 1.00 0.00 C ATOM 146 C SER A 10 11.549 2.437 0.313 1.00 0.00 C ATOM 147 O SER A 10 12.004 2.715 1.423 1.00 0.00 O ATOM 148 CB SER A 10 12.410 4.094 -1.353 1.00 0.00 C ATOM 149 OG SER A 10 11.130 4.681 -1.204 1.00 0.00 O ATOM 0 H SER A 10 11.498 2.332 -2.823 1.00 0.00 H new ATOM 0 HA SER A 10 13.408 2.293 -0.735 1.00 0.00 H new ATOM 0 HB2 SER A 10 13.134 4.632 -0.741 1.00 0.00 H new ATOM 0 HB3 SER A 10 12.737 4.186 -2.389 1.00 0.00 H new ATOM 0 HG SER A 10 11.170 5.624 -1.468 1.00 0.00 H new ATOM 155 N LYS A 11 10.319 1.969 0.133 1.00 0.00 N ATOM 156 CA LYS A 11 9.412 1.749 1.254 1.00 0.00 C ATOM 157 C LYS A 11 8.126 1.075 0.788 1.00 0.00 C ATOM 158 O LYS A 11 7.473 1.540 -0.145 1.00 0.00 O ATOM 159 CB LYS A 11 9.085 3.078 1.941 1.00 0.00 C ATOM 160 CG LYS A 11 9.257 3.041 3.449 1.00 0.00 C ATOM 161 CD LYS A 11 8.185 2.193 4.113 1.00 0.00 C ATOM 162 CE LYS A 11 8.632 1.697 5.479 1.00 0.00 C ATOM 163 NZ LYS A 11 7.476 1.456 6.387 1.00 0.00 N ATOM 0 H LYS A 11 9.927 1.734 -0.779 1.00 0.00 H new ATOM 0 HA LYS A 11 9.908 1.091 1.968 1.00 0.00 H new ATOM 0 HB2 LYS A 11 9.726 3.858 1.530 1.00 0.00 H new ATOM 0 HB3 LYS A 11 8.057 3.355 1.708 1.00 0.00 H new ATOM 0 HG2 LYS A 11 10.241 2.642 3.694 1.00 0.00 H new ATOM 0 HG3 LYS A 11 9.217 4.056 3.845 1.00 0.00 H new ATOM 0 HD2 LYS A 11 7.271 2.777 4.218 1.00 0.00 H new ATOM 0 HD3 LYS A 11 7.947 1.341 3.476 1.00 0.00 H new ATOM 0 HE2 LYS A 11 9.201 0.774 5.362 1.00 0.00 H new ATOM 0 HE3 LYS A 11 9.302 2.429 5.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 7.822 1.119 7.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 6.948 2.342 6.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 6.850 0.739 5.969 1.00 0.00 H new ATOM 177 N ASN A 12 7.767 -0.023 1.446 1.00 0.00 N ATOM 178 CA ASN A 12 6.557 -0.761 1.099 1.00 0.00 C ATOM 179 C ASN A 12 5.322 -0.088 1.691 1.00 0.00 C ATOM 180 O ASN A 12 4.670 -0.637 2.579 1.00 0.00 O ATOM 181 CB ASN A 12 6.654 -2.204 1.598 1.00 0.00 C ATOM 182 CG ASN A 12 5.406 -3.007 1.289 1.00 0.00 C ATOM 183 OD1 ASN A 12 4.491 -2.523 0.622 1.00 0.00 O ATOM 184 ND2 ASN A 12 5.362 -4.242 1.776 1.00 0.00 N ATOM 0 H ASN A 12 8.296 -0.421 2.222 1.00 0.00 H new ATOM 0 HA ASN A 12 6.462 -0.765 0.013 1.00 0.00 H new ATOM 0 HB2 ASN A 12 7.517 -2.687 1.139 1.00 0.00 H new ATOM 0 HB3 ASN A 12 6.825 -2.203 2.675 1.00 0.00 H new ATOM 0 HD21 ASN A 12 4.547 -4.830 1.602 1.00 0.00 H new ATOM 0 HD22 ASN A 12 6.143 -4.602 2.324 1.00 0.00 H new ATOM 191 N GLU A 13 5.007 1.102 1.191 1.00 0.00 N ATOM 192 CA GLU A 13 3.849 1.850 1.671 1.00 0.00 C ATOM 193 C GLU A 13 2.853 2.094 0.540 1.00 0.00 C ATOM 194 O GLU A 13 3.243 2.344 -0.601 1.00 0.00 O ATOM 195 CB GLU A 13 4.290 3.184 2.274 1.00 0.00 C ATOM 196 CG GLU A 13 4.705 4.214 1.236 1.00 0.00 C ATOM 197 CD GLU A 13 5.790 5.145 1.741 1.00 0.00 C ATOM 198 OE1 GLU A 13 6.014 5.188 2.968 1.00 0.00 O ATOM 199 OE2 GLU A 13 6.416 5.833 0.906 1.00 0.00 O ATOM 0 H GLU A 13 5.536 1.569 0.455 1.00 0.00 H new ATOM 0 HA GLU A 13 3.359 1.256 2.442 1.00 0.00 H new ATOM 0 HB2 GLU A 13 3.474 3.591 2.871 1.00 0.00 H new ATOM 0 HB3 GLU A 13 5.124 3.008 2.953 1.00 0.00 H new ATOM 0 HG2 GLU A 13 5.059 3.701 0.342 1.00 0.00 H new ATOM 0 HG3 GLU A 13 3.834 4.801 0.944 1.00 0.00 H new ATOM 206 N CYS A 14 1.568 2.019 0.867 1.00 0.00 N ATOM 207 CA CYS A 14 0.516 2.231 -0.121 1.00 0.00 C ATOM 208 C CYS A 14 0.319 3.719 -0.395 1.00 0.00 C ATOM 209 O CYS A 14 -0.252 4.442 0.423 1.00 0.00 O ATOM 210 CB CYS A 14 -0.796 1.610 0.361 1.00 0.00 C ATOM 211 SG CYS A 14 -2.213 1.957 -0.707 1.00 0.00 S ATOM 0 H CYS A 14 1.230 1.813 1.807 1.00 0.00 H new ATOM 0 HA CYS A 14 0.819 1.747 -1.049 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -0.668 0.530 0.437 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -1.012 1.977 1.364 1.00 0.00 H new ATOM 0 HG CYS A 14 -2.886 2.958 -0.223 1.00 0.00 H new ATOM 217 N LYS A 15 0.794 4.170 -1.550 1.00 0.00 N ATOM 218 CA LYS A 15 0.672 5.572 -1.933 1.00 0.00 C ATOM 219 C LYS A 15 -0.601 5.805 -2.741 1.00 0.00 C ATOM 220 O LYS A 15 -0.548 6.028 -3.951 1.00 0.00 O ATOM 221 CB LYS A 15 1.893 6.008 -2.747 1.00 0.00 C ATOM 222 CG LYS A 15 2.194 5.098 -3.927 1.00 0.00 C ATOM 223 CD LYS A 15 2.700 5.887 -5.123 1.00 0.00 C ATOM 224 CE LYS A 15 3.415 4.987 -6.120 1.00 0.00 C ATOM 225 NZ LYS A 15 4.591 5.665 -6.733 1.00 0.00 N ATOM 0 H LYS A 15 1.268 3.585 -2.238 1.00 0.00 H new ATOM 0 HA LYS A 15 0.619 6.169 -1.023 1.00 0.00 H new ATOM 0 HB2 LYS A 15 1.732 7.022 -3.113 1.00 0.00 H new ATOM 0 HB3 LYS A 15 2.764 6.040 -2.092 1.00 0.00 H new ATOM 0 HG2 LYS A 15 2.939 4.358 -3.636 1.00 0.00 H new ATOM 0 HG3 LYS A 15 1.293 4.551 -4.205 1.00 0.00 H new ATOM 0 HD2 LYS A 15 1.863 6.383 -5.614 1.00 0.00 H new ATOM 0 HD3 LYS A 15 3.380 6.669 -4.784 1.00 0.00 H new ATOM 0 HE2 LYS A 15 3.741 4.076 -5.618 1.00 0.00 H new ATOM 0 HE3 LYS A 15 2.719 4.687 -6.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 4.772 5.263 -7.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 4.397 6.683 -6.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 5.427 5.523 -6.130 1.00 0.00 H new ATOM 239 N TYR A 16 -1.743 5.755 -2.064 1.00 0.00 N ATOM 240 CA TYR A 16 -3.029 5.960 -2.719 1.00 0.00 C ATOM 241 C TYR A 16 -3.578 7.351 -2.418 1.00 0.00 C ATOM 242 O TYR A 16 -2.882 8.199 -1.859 1.00 0.00 O ATOM 243 CB TYR A 16 -4.031 4.895 -2.269 1.00 0.00 C ATOM 244 CG TYR A 16 -4.597 5.142 -0.888 1.00 0.00 C ATOM 245 CD1 TYR A 16 -3.832 4.912 0.249 1.00 0.00 C ATOM 246 CD2 TYR A 16 -5.895 5.606 -0.721 1.00 0.00 C ATOM 247 CE1 TYR A 16 -4.345 5.137 1.512 1.00 0.00 C ATOM 248 CE2 TYR A 16 -6.416 5.833 0.538 1.00 0.00 C ATOM 249 CZ TYR A 16 -5.637 5.597 1.651 1.00 0.00 C ATOM 250 OH TYR A 16 -6.153 5.822 2.907 1.00 0.00 O ATOM 0 H TYR A 16 -1.804 5.574 -1.062 1.00 0.00 H new ATOM 0 HA TYR A 16 -2.877 5.874 -3.795 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -4.851 4.853 -2.986 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -3.544 3.920 -2.284 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -2.819 4.551 0.144 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -6.508 5.793 -1.590 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -3.737 4.953 2.386 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -7.428 6.193 0.650 1.00 0.00 H new ATOM 0 HH TYR A 16 -7.075 6.145 2.829 1.00 0.00 H new ATOM 260 N LYS A 17 -4.833 7.579 -2.791 1.00 0.00 N ATOM 261 CA LYS A 17 -5.479 8.865 -2.561 1.00 0.00 C ATOM 262 C LYS A 17 -6.890 8.674 -2.013 1.00 0.00 C ATOM 263 O LYS A 17 -7.696 7.945 -2.588 1.00 0.00 O ATOM 264 CB LYS A 17 -5.529 9.673 -3.859 1.00 0.00 C ATOM 265 CG LYS A 17 -6.198 8.939 -5.007 1.00 0.00 C ATOM 266 CD LYS A 17 -5.931 9.623 -6.338 1.00 0.00 C ATOM 267 CE LYS A 17 -7.192 9.706 -7.184 1.00 0.00 C ATOM 268 NZ LYS A 17 -7.270 10.989 -7.937 1.00 0.00 N ATOM 0 H LYS A 17 -5.423 6.888 -3.255 1.00 0.00 H new ATOM 0 HA LYS A 17 -4.892 9.412 -1.823 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -6.062 10.606 -3.676 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -4.513 9.938 -4.151 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.834 7.912 -5.045 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -7.273 8.890 -4.831 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -5.543 10.626 -6.161 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -5.162 9.075 -6.882 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -7.215 8.871 -7.885 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -8.067 9.608 -6.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -8.143 11.008 -8.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -7.274 11.785 -7.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -6.448 11.071 -8.568 1.00 0.00 H new ATOM 282 N ASN A 18 -7.182 9.338 -0.898 1.00 0.00 N ATOM 283 CA ASN A 18 -8.495 9.242 -0.273 1.00 0.00 C ATOM 284 C ASN A 18 -9.216 10.586 -0.313 1.00 0.00 C ATOM 285 O ASN A 18 -8.608 11.620 -0.591 1.00 0.00 O ATOM 286 CB ASN A 18 -8.362 8.765 1.174 1.00 0.00 C ATOM 287 CG ASN A 18 -8.156 9.911 2.144 1.00 0.00 C ATOM 288 OD1 ASN A 18 -9.023 10.205 2.968 1.00 0.00 O ATOM 289 ND2 ASN A 18 -7.004 10.566 2.050 1.00 0.00 N ATOM 0 H ASN A 18 -6.526 9.948 -0.410 1.00 0.00 H new ATOM 0 HA ASN A 18 -9.084 8.516 -0.834 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -9.258 8.212 1.455 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -7.523 8.073 1.250 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -6.809 11.347 2.676 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -6.314 10.287 1.352 1.00 0.00 H new ATOM 296 N ASP A 19 -10.514 10.563 -0.032 1.00 0.00 N ATOM 297 CA ASP A 19 -11.319 11.780 -0.035 1.00 0.00 C ATOM 298 C ASP A 19 -11.544 12.280 -1.457 1.00 0.00 C ATOM 299 O ASP A 19 -12.661 12.226 -1.974 1.00 0.00 O ATOM 300 CB ASP A 19 -10.638 12.867 0.800 1.00 0.00 C ATOM 301 CG ASP A 19 -11.614 13.921 1.284 1.00 0.00 C ATOM 302 OD1 ASP A 19 -12.417 13.615 2.190 1.00 0.00 O ATOM 303 OD2 ASP A 19 -11.576 15.052 0.757 1.00 0.00 O ATOM 0 H ASP A 19 -11.032 9.716 0.201 1.00 0.00 H new ATOM 0 HA ASP A 19 -12.289 11.547 0.405 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -10.148 12.408 1.659 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -9.859 13.343 0.205 1.00 0.00 H new ATOM 308 N ALA A 20 -10.479 12.766 -2.086 1.00 0.00 N ATOM 309 CA ALA A 20 -10.561 13.274 -3.449 1.00 0.00 C ATOM 310 C ALA A 20 -9.195 13.729 -3.949 1.00 0.00 C ATOM 311 O ALA A 20 -9.000 14.899 -4.276 1.00 0.00 O ATOM 312 CB ALA A 20 -11.562 14.419 -3.526 1.00 0.00 C ATOM 0 H ALA A 20 -9.548 12.818 -1.672 1.00 0.00 H new ATOM 0 HA ALA A 20 -10.902 12.463 -4.093 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -11.613 14.789 -4.550 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -12.546 14.064 -3.219 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -11.245 15.225 -2.864 1.00 0.00 H new ATOM 318 N GLY A 21 -8.249 12.795 -4.004 1.00 0.00 N ATOM 319 CA GLY A 21 -6.912 13.121 -4.465 1.00 0.00 C ATOM 320 C GLY A 21 -5.996 13.541 -3.333 1.00 0.00 C ATOM 321 O GLY A 21 -4.969 14.183 -3.560 1.00 0.00 O ATOM 0 H GLY A 21 -8.385 11.820 -3.738 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -6.485 12.256 -4.972 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -6.970 13.925 -5.199 1.00 0.00 H new ATOM 325 N LYS A 22 -6.366 13.182 -2.109 1.00 0.00 N ATOM 326 CA LYS A 22 -5.571 13.525 -0.936 1.00 0.00 C ATOM 327 C LYS A 22 -4.391 12.572 -0.780 1.00 0.00 C ATOM 328 O LYS A 22 -4.571 11.359 -0.667 1.00 0.00 O ATOM 329 CB LYS A 22 -6.440 13.489 0.323 1.00 0.00 C ATOM 330 CG LYS A 22 -6.174 14.639 1.279 1.00 0.00 C ATOM 331 CD LYS A 22 -4.826 14.493 1.965 1.00 0.00 C ATOM 332 CE LYS A 22 -4.536 15.674 2.880 1.00 0.00 C ATOM 333 NZ LYS A 22 -3.197 16.268 2.610 1.00 0.00 N ATOM 0 H LYS A 22 -7.213 12.653 -1.903 1.00 0.00 H new ATOM 0 HA LYS A 22 -5.183 14.534 -1.074 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -7.490 13.506 0.030 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -6.270 12.547 0.845 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -6.205 15.582 0.733 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -6.963 14.679 2.030 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -4.809 13.570 2.544 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -4.041 14.412 1.213 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -5.305 16.435 2.746 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -4.587 15.349 3.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -3.037 17.069 3.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -2.461 15.549 2.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -3.157 16.601 1.626 1.00 0.00 H new ATOM 347 N ASP A 23 -3.184 13.127 -0.774 1.00 0.00 N ATOM 348 CA ASP A 23 -1.974 12.326 -0.629 1.00 0.00 C ATOM 349 C ASP A 23 -2.001 11.531 0.673 1.00 0.00 C ATOM 350 O ASP A 23 -2.019 12.104 1.763 1.00 0.00 O ATOM 351 CB ASP A 23 -0.735 13.222 -0.669 1.00 0.00 C ATOM 352 CG ASP A 23 -0.110 13.284 -2.049 1.00 0.00 C ATOM 353 OD1 ASP A 23 -0.846 13.548 -3.023 1.00 0.00 O ATOM 354 OD2 ASP A 23 1.116 13.070 -2.155 1.00 0.00 O ATOM 0 H ASP A 23 -3.017 14.129 -0.868 1.00 0.00 H new ATOM 0 HA ASP A 23 -1.931 11.624 -1.461 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -1.008 14.228 -0.351 1.00 0.00 H new ATOM 0 HB3 ASP A 23 0.001 12.851 0.044 1.00 0.00 H new ATOM 359 N THR A 24 -2.005 10.208 0.553 1.00 0.00 N ATOM 360 CA THR A 24 -2.032 9.335 1.720 1.00 0.00 C ATOM 361 C THR A 24 -1.061 8.170 1.558 1.00 0.00 C ATOM 362 O THR A 24 -1.048 7.499 0.527 1.00 0.00 O ATOM 363 CB THR A 24 -3.445 8.777 1.971 1.00 0.00 C ATOM 364 OG1 THR A 24 -4.359 9.852 2.217 1.00 0.00 O ATOM 365 CG2 THR A 24 -3.448 7.822 3.155 1.00 0.00 C ATOM 0 H THR A 24 -1.990 9.717 -0.341 1.00 0.00 H new ATOM 0 HA THR A 24 -1.730 9.941 2.575 1.00 0.00 H new ATOM 0 HB THR A 24 -3.758 8.229 1.082 1.00 0.00 H new ATOM 0 HG1 THR A 24 -4.826 9.697 3.064 1.00 0.00 H new ATOM 0 HG21 THR A 24 -4.457 7.441 3.313 1.00 0.00 H new ATOM 0 HG22 THR A 24 -2.773 6.990 2.953 1.00 0.00 H new ATOM 0 HG23 THR A 24 -3.116 8.350 4.049 1.00 0.00 H new ATOM 373 N PHE A 25 -0.249 7.937 2.583 1.00 0.00 N ATOM 374 CA PHE A 25 0.727 6.854 2.555 1.00 0.00 C ATOM 375 C PHE A 25 0.652 6.021 3.832 1.00 0.00 C ATOM 376 O PHE A 25 0.677 6.559 4.939 1.00 0.00 O ATOM 377 CB PHE A 25 2.140 7.415 2.382 1.00 0.00 C ATOM 378 CG PHE A 25 2.302 8.258 1.148 1.00 0.00 C ATOM 379 CD1 PHE A 25 1.859 9.570 1.127 1.00 0.00 C ATOM 380 CD2 PHE A 25 2.898 7.737 0.011 1.00 0.00 C ATOM 381 CE1 PHE A 25 2.007 10.349 -0.006 1.00 0.00 C ATOM 382 CE2 PHE A 25 3.050 8.510 -1.124 1.00 0.00 C ATOM 383 CZ PHE A 25 2.602 9.817 -1.134 1.00 0.00 C ATOM 0 H PHE A 25 -0.247 8.484 3.444 1.00 0.00 H new ATOM 0 HA PHE A 25 0.493 6.210 1.707 1.00 0.00 H new ATOM 0 HB2 PHE A 25 2.395 8.013 3.257 1.00 0.00 H new ATOM 0 HB3 PHE A 25 2.849 6.588 2.343 1.00 0.00 H new ATOM 0 HD1 PHE A 25 1.392 9.990 2.006 1.00 0.00 H new ATOM 0 HD2 PHE A 25 3.248 6.715 0.012 1.00 0.00 H new ATOM 0 HE1 PHE A 25 1.658 11.371 -0.009 1.00 0.00 H new ATOM 0 HE2 PHE A 25 3.519 8.093 -2.003 1.00 0.00 H new ATOM 0 HZ PHE A 25 2.717 10.422 -2.022 1.00 0.00 H new ATOM 393 N ILE A 26 0.560 4.705 3.668 1.00 0.00 N ATOM 394 CA ILE A 26 0.483 3.798 4.806 1.00 0.00 C ATOM 395 C ILE A 26 1.295 2.532 4.556 1.00 0.00 C ATOM 396 O ILE A 26 1.065 1.815 3.582 1.00 0.00 O ATOM 397 CB ILE A 26 -0.974 3.406 5.115 1.00 0.00 C ATOM 398 CG1 ILE A 26 -1.023 2.419 6.283 1.00 0.00 C ATOM 399 CG2 ILE A 26 -1.636 2.809 3.882 1.00 0.00 C ATOM 400 CD1 ILE A 26 -2.370 2.363 6.971 1.00 0.00 C ATOM 0 H ILE A 26 0.537 4.244 2.758 1.00 0.00 H new ATOM 0 HA ILE A 26 0.898 4.330 5.662 1.00 0.00 H new ATOM 0 HB ILE A 26 -1.523 4.304 5.399 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.769 1.424 5.918 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -0.262 2.695 7.013 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -2.665 2.537 4.117 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.629 3.542 3.075 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.088 1.920 3.569 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -2.331 1.643 7.789 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -2.618 3.348 7.366 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -3.132 2.057 6.254 1.00 0.00 H new ATOM 412 N LYS A 27 2.247 2.262 5.444 1.00 0.00 N ATOM 413 CA LYS A 27 3.093 1.081 5.323 1.00 0.00 C ATOM 414 C LYS A 27 2.249 -0.189 5.259 1.00 0.00 C ATOM 415 O LYS A 27 1.251 -0.319 5.968 1.00 0.00 O ATOM 416 CB LYS A 27 4.064 1.002 6.504 1.00 0.00 C ATOM 417 CG LYS A 27 3.374 0.905 7.854 1.00 0.00 C ATOM 418 CD LYS A 27 4.348 1.146 8.995 1.00 0.00 C ATOM 419 CE LYS A 27 5.154 -0.103 9.314 1.00 0.00 C ATOM 420 NZ LYS A 27 5.067 -0.466 10.756 1.00 0.00 N ATOM 0 H LYS A 27 2.451 2.846 6.255 1.00 0.00 H new ATOM 0 HA LYS A 27 3.662 1.165 4.397 1.00 0.00 H new ATOM 0 HB2 LYS A 27 4.712 0.135 6.373 1.00 0.00 H new ATOM 0 HB3 LYS A 27 4.705 1.883 6.496 1.00 0.00 H new ATOM 0 HG2 LYS A 27 2.566 1.634 7.904 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.921 -0.081 7.963 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.024 1.959 8.732 1.00 0.00 H new ATOM 0 HD3 LYS A 27 3.799 1.463 9.882 1.00 0.00 H new ATOM 0 HE2 LYS A 27 4.792 -0.933 8.708 1.00 0.00 H new ATOM 0 HE3 LYS A 27 6.197 0.059 9.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 5.630 -1.323 10.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 5.436 0.316 11.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 4.074 -0.645 11.010 1.00 0.00 H new ATOM 434 N CYS A 28 2.658 -1.122 4.407 1.00 0.00 N ATOM 435 CA CYS A 28 1.940 -2.382 4.251 1.00 0.00 C ATOM 436 C CYS A 28 2.686 -3.521 4.938 1.00 0.00 C ATOM 437 O CYS A 28 3.905 -3.489 5.103 1.00 0.00 O ATOM 438 CB CYS A 28 1.748 -2.704 2.768 1.00 0.00 C ATOM 439 SG CYS A 28 1.142 -1.314 1.784 1.00 0.00 S ATOM 0 H CYS A 28 3.483 -1.030 3.814 1.00 0.00 H new ATOM 0 HA CYS A 28 0.963 -2.275 4.722 1.00 0.00 H new ATOM 0 HB2 CYS A 28 2.698 -3.041 2.354 1.00 0.00 H new ATOM 0 HB3 CYS A 28 1.048 -3.534 2.675 1.00 0.00 H new ATOM 0 HG CYS A 28 1.167 -0.231 2.502 1.00 0.00 H new ATOM 445 N PRO A 29 1.937 -4.554 5.353 1.00 0.00 N ATOM 446 CA PRO A 29 2.505 -5.723 6.031 1.00 0.00 C ATOM 447 C PRO A 29 3.347 -6.583 5.095 1.00 0.00 C ATOM 448 O PRO A 29 2.898 -6.968 4.016 1.00 0.00 O ATOM 449 CB PRO A 29 1.270 -6.496 6.500 1.00 0.00 C ATOM 450 CG PRO A 29 0.188 -6.089 5.561 1.00 0.00 C ATOM 451 CD PRO A 29 0.477 -4.660 5.191 1.00 0.00 C ATOM 0 HA PRO A 29 3.179 -5.438 6.839 1.00 0.00 H new ATOM 0 HB2 PRO A 29 1.440 -7.572 6.465 1.00 0.00 H new ATOM 0 HB3 PRO A 29 1.015 -6.247 7.530 1.00 0.00 H new ATOM 0 HG2 PRO A 29 0.178 -6.727 4.677 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -0.791 -6.180 6.031 1.00 0.00 H new ATOM 0 HD2 PRO A 29 0.169 -4.439 4.169 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -0.051 -3.962 5.841 1.00 0.00 H new ATOM 459 N LYS A 30 4.572 -6.882 5.516 1.00 0.00 N ATOM 460 CA LYS A 30 5.478 -7.698 4.717 1.00 0.00 C ATOM 461 C LYS A 30 6.401 -8.520 5.610 1.00 0.00 C ATOM 462 O LYS A 30 7.610 -8.581 5.383 1.00 0.00 O ATOM 463 CB LYS A 30 6.309 -6.812 3.786 1.00 0.00 C ATOM 464 CG LYS A 30 7.232 -5.855 4.521 1.00 0.00 C ATOM 465 CD LYS A 30 6.492 -4.612 4.986 1.00 0.00 C ATOM 466 CE LYS A 30 7.455 -3.494 5.352 1.00 0.00 C ATOM 467 NZ LYS A 30 7.057 -2.811 6.614 1.00 0.00 N ATOM 0 H LYS A 30 4.960 -6.571 6.407 1.00 0.00 H new ATOM 0 HA LYS A 30 4.877 -8.382 4.118 1.00 0.00 H new ATOM 0 HB2 LYS A 30 6.905 -7.447 3.130 1.00 0.00 H new ATOM 0 HB3 LYS A 30 5.637 -6.238 3.149 1.00 0.00 H new ATOM 0 HG2 LYS A 30 7.672 -6.361 5.381 1.00 0.00 H new ATOM 0 HG3 LYS A 30 8.054 -5.566 3.866 1.00 0.00 H new ATOM 0 HD2 LYS A 30 5.820 -4.271 4.198 1.00 0.00 H new ATOM 0 HD3 LYS A 30 5.873 -4.857 5.849 1.00 0.00 H new ATOM 0 HE2 LYS A 30 8.460 -3.901 5.461 1.00 0.00 H new ATOM 0 HE3 LYS A 30 7.492 -2.766 4.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 7.738 -2.055 6.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 6.108 -2.400 6.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 7.046 -3.500 7.393 1.00 0.00 H new ATOM 481 N PHE A 31 5.824 -9.153 6.626 1.00 0.00 N ATOM 482 CA PHE A 31 6.595 -9.973 7.554 1.00 0.00 C ATOM 483 C PHE A 31 6.898 -11.339 6.948 1.00 0.00 C ATOM 484 O PHE A 31 6.184 -12.312 7.193 1.00 0.00 O ATOM 485 CB PHE A 31 5.833 -10.144 8.871 1.00 0.00 C ATOM 486 CG PHE A 31 5.337 -8.849 9.447 1.00 0.00 C ATOM 487 CD1 PHE A 31 6.223 -7.831 9.764 1.00 0.00 C ATOM 488 CD2 PHE A 31 3.985 -8.650 9.675 1.00 0.00 C ATOM 489 CE1 PHE A 31 5.768 -6.639 10.295 1.00 0.00 C ATOM 490 CE2 PHE A 31 3.525 -7.459 10.205 1.00 0.00 C ATOM 491 CZ PHE A 31 4.418 -6.453 10.518 1.00 0.00 C ATOM 0 H PHE A 31 4.825 -9.114 6.828 1.00 0.00 H new ATOM 0 HA PHE A 31 7.539 -9.465 7.752 1.00 0.00 H new ATOM 0 HB2 PHE A 31 4.985 -10.809 8.707 1.00 0.00 H new ATOM 0 HB3 PHE A 31 6.484 -10.631 9.598 1.00 0.00 H new ATOM 0 HD1 PHE A 31 7.280 -7.971 9.594 1.00 0.00 H new ATOM 0 HD2 PHE A 31 3.282 -9.434 9.436 1.00 0.00 H new ATOM 0 HE1 PHE A 31 6.468 -5.853 10.536 1.00 0.00 H new ATOM 0 HE2 PHE A 31 2.468 -7.315 10.374 1.00 0.00 H new ATOM 0 HZ PHE A 31 4.061 -5.523 10.936 1.00 0.00 H new ATOM 501 N ASP A 32 7.962 -11.405 6.155 1.00 0.00 N ATOM 502 CA ASP A 32 8.362 -12.653 5.515 1.00 0.00 C ATOM 503 C ASP A 32 7.187 -13.284 4.774 1.00 0.00 C ATOM 504 O ASP A 32 7.015 -14.502 4.787 1.00 0.00 O ATOM 505 CB ASP A 32 8.911 -13.631 6.554 1.00 0.00 C ATOM 506 CG ASP A 32 10.048 -14.476 6.010 1.00 0.00 C ATOM 507 OD1 ASP A 32 9.765 -15.496 5.347 1.00 0.00 O ATOM 508 OD2 ASP A 32 11.220 -14.116 6.246 1.00 0.00 O ATOM 0 H ASP A 32 8.563 -10.609 5.940 1.00 0.00 H new ATOM 0 HA ASP A 32 9.145 -12.427 4.792 1.00 0.00 H new ATOM 0 HB2 ASP A 32 9.260 -13.075 7.424 1.00 0.00 H new ATOM 0 HB3 ASP A 32 8.107 -14.284 6.894 1.00 0.00 H new ATOM 513 N ASN A 33 6.383 -12.446 4.129 1.00 0.00 N ATOM 514 CA ASN A 33 5.222 -12.922 3.384 1.00 0.00 C ATOM 515 C ASN A 33 5.264 -12.429 1.940 1.00 0.00 C ATOM 516 O ASN A 33 4.856 -13.137 1.019 1.00 0.00 O ATOM 517 CB ASN A 33 3.930 -12.454 4.057 1.00 0.00 C ATOM 518 CG ASN A 33 2.715 -13.215 3.565 1.00 0.00 C ATOM 519 OD1 ASN A 33 1.803 -12.636 2.973 1.00 0.00 O ATOM 520 ND2 ASN A 33 2.694 -14.520 3.811 1.00 0.00 N ATOM 0 H ASN A 33 6.513 -11.435 4.107 1.00 0.00 H new ATOM 0 HA ASN A 33 5.246 -14.012 3.379 1.00 0.00 H new ATOM 0 HB2 ASN A 33 4.020 -12.577 5.136 1.00 0.00 H new ATOM 0 HB3 ASN A 33 3.790 -11.390 3.868 1.00 0.00 H new ATOM 0 HD21 ASN A 33 1.900 -15.084 3.506 1.00 0.00 H new ATOM 0 HD22 ASN A 33 3.471 -14.958 4.305 1.00 0.00 H new ATOM 527 N LYS A 34 5.760 -11.212 1.750 1.00 0.00 N ATOM 528 CA LYS A 34 5.858 -10.624 0.419 1.00 0.00 C ATOM 529 C LYS A 34 6.421 -9.208 0.491 1.00 0.00 C ATOM 530 O LYS A 34 5.687 -8.229 0.348 1.00 0.00 O ATOM 531 CB LYS A 34 4.484 -10.606 -0.254 1.00 0.00 C ATOM 532 CG LYS A 34 4.347 -11.612 -1.384 1.00 0.00 C ATOM 533 CD LYS A 34 4.780 -11.020 -2.714 1.00 0.00 C ATOM 534 CE LYS A 34 3.914 -11.526 -3.858 1.00 0.00 C ATOM 535 NZ LYS A 34 4.191 -10.799 -5.127 1.00 0.00 N ATOM 0 H LYS A 34 6.101 -10.612 2.501 1.00 0.00 H new ATOM 0 HA LYS A 34 6.538 -11.236 -0.174 1.00 0.00 H new ATOM 0 HB2 LYS A 34 3.719 -10.808 0.496 1.00 0.00 H new ATOM 0 HB3 LYS A 34 4.293 -9.606 -0.644 1.00 0.00 H new ATOM 0 HG2 LYS A 34 4.950 -12.493 -1.163 1.00 0.00 H new ATOM 0 HG3 LYS A 34 3.311 -11.944 -1.453 1.00 0.00 H new ATOM 0 HD2 LYS A 34 4.722 -9.933 -2.666 1.00 0.00 H new ATOM 0 HD3 LYS A 34 5.822 -11.275 -2.905 1.00 0.00 H new ATOM 0 HE2 LYS A 34 4.091 -12.592 -4.004 1.00 0.00 H new ATOM 0 HE3 LYS A 34 2.862 -11.411 -3.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 3.348 -10.828 -5.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 4.431 -9.809 -4.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 4.988 -11.250 -5.619 1.00 0.00 H new ATOM 549 N LYS A 35 7.727 -9.106 0.709 1.00 0.00 N ATOM 550 CA LYS A 35 8.390 -7.810 0.795 1.00 0.00 C ATOM 551 C LYS A 35 8.598 -7.211 -0.591 1.00 0.00 C ATOM 552 O LYS A 35 9.093 -7.880 -1.498 1.00 0.00 O ATOM 553 CB LYS A 35 9.736 -7.949 1.510 1.00 0.00 C ATOM 554 CG LYS A 35 9.820 -7.163 2.807 1.00 0.00 C ATOM 555 CD LYS A 35 11.127 -7.428 3.536 1.00 0.00 C ATOM 556 CE LYS A 35 11.076 -6.932 4.973 1.00 0.00 C ATOM 557 NZ LYS A 35 11.557 -5.528 5.091 1.00 0.00 N ATOM 0 H LYS A 35 8.348 -9.906 0.830 1.00 0.00 H new ATOM 0 HA LYS A 35 7.749 -7.140 1.368 1.00 0.00 H new ATOM 0 HB2 LYS A 35 9.919 -9.003 1.721 1.00 0.00 H new ATOM 0 HB3 LYS A 35 10.529 -7.616 0.841 1.00 0.00 H new ATOM 0 HG2 LYS A 35 9.730 -6.098 2.594 1.00 0.00 H new ATOM 0 HG3 LYS A 35 8.982 -7.431 3.451 1.00 0.00 H new ATOM 0 HD2 LYS A 35 11.339 -8.497 3.527 1.00 0.00 H new ATOM 0 HD3 LYS A 35 11.945 -6.936 3.009 1.00 0.00 H new ATOM 0 HE2 LYS A 35 10.053 -6.998 5.344 1.00 0.00 H new ATOM 0 HE3 LYS A 35 11.686 -7.579 5.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 11.507 -5.226 6.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 12.541 -5.469 4.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 10.959 -4.906 4.510 1.00 0.00 H new ATOM 571 N CYS A 36 8.218 -5.948 -0.749 1.00 0.00 N ATOM 572 CA CYS A 36 8.364 -5.259 -2.026 1.00 0.00 C ATOM 573 C CYS A 36 9.787 -5.398 -2.560 1.00 0.00 C ATOM 574 O CYS A 36 10.749 -5.434 -1.792 1.00 0.00 O ATOM 575 CB CYS A 36 8.005 -3.780 -1.876 1.00 0.00 C ATOM 576 SG CYS A 36 9.264 -2.797 -1.028 1.00 0.00 S ATOM 0 H CYS A 36 7.806 -5.380 -0.008 1.00 0.00 H new ATOM 0 HA CYS A 36 7.681 -5.720 -2.739 1.00 0.00 H new ATOM 0 HB2 CYS A 36 7.834 -3.356 -2.866 1.00 0.00 H new ATOM 0 HB3 CYS A 36 7.066 -3.699 -1.328 1.00 0.00 H new ATOM 0 HG CYS A 36 9.164 -1.554 -1.395 1.00 0.00 H new ATOM 582 N THR A 37 9.913 -5.478 -3.881 1.00 0.00 N ATOM 583 CA THR A 37 11.217 -5.616 -4.516 1.00 0.00 C ATOM 584 C THR A 37 11.195 -5.070 -5.940 1.00 0.00 C ATOM 585 O THR A 37 11.802 -5.642 -6.845 1.00 0.00 O ATOM 586 CB THR A 37 11.673 -7.086 -4.549 1.00 0.00 C ATOM 587 OG1 THR A 37 10.582 -7.929 -4.939 1.00 0.00 O ATOM 588 CG2 THR A 37 12.197 -7.520 -3.189 1.00 0.00 C ATOM 0 H THR A 37 9.128 -5.450 -4.531 1.00 0.00 H new ATOM 0 HA THR A 37 11.922 -5.038 -3.919 1.00 0.00 H new ATOM 0 HB THR A 37 12.479 -7.178 -5.277 1.00 0.00 H new ATOM 0 HG1 THR A 37 10.881 -8.862 -4.959 1.00 0.00 H new ATOM 0 HG21 THR A 37 12.513 -8.562 -3.237 1.00 0.00 H new ATOM 0 HG22 THR A 37 13.046 -6.896 -2.910 1.00 0.00 H new ATOM 0 HG23 THR A 37 11.408 -7.414 -2.444 1.00 0.00 H new ATOM 596 N LYS A 38 10.489 -3.960 -6.133 1.00 0.00 N ATOM 597 CA LYS A 38 10.389 -3.336 -7.446 1.00 0.00 C ATOM 598 C LYS A 38 9.485 -2.109 -7.397 1.00 0.00 C ATOM 599 O LYS A 38 8.348 -2.182 -6.929 1.00 0.00 O ATOM 600 CB LYS A 38 9.852 -4.338 -8.470 1.00 0.00 C ATOM 601 CG LYS A 38 10.817 -4.619 -9.610 1.00 0.00 C ATOM 602 CD LYS A 38 10.670 -6.040 -10.128 1.00 0.00 C ATOM 603 CE LYS A 38 10.830 -6.102 -11.639 1.00 0.00 C ATOM 604 NZ LYS A 38 9.679 -6.786 -12.291 1.00 0.00 N ATOM 0 H LYS A 38 9.978 -3.475 -5.396 1.00 0.00 H new ATOM 0 HA LYS A 38 11.387 -3.018 -7.747 1.00 0.00 H new ATOM 0 HB2 LYS A 38 9.620 -5.274 -7.963 1.00 0.00 H new ATOM 0 HB3 LYS A 38 8.917 -3.958 -8.882 1.00 0.00 H new ATOM 0 HG2 LYS A 38 10.637 -3.914 -10.422 1.00 0.00 H new ATOM 0 HG3 LYS A 38 11.840 -4.459 -9.270 1.00 0.00 H new ATOM 0 HD2 LYS A 38 11.416 -6.679 -9.656 1.00 0.00 H new ATOM 0 HD3 LYS A 38 9.692 -6.431 -9.848 1.00 0.00 H new ATOM 0 HE2 LYS A 38 10.924 -5.091 -12.036 1.00 0.00 H new ATOM 0 HE3 LYS A 38 11.752 -6.628 -11.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 9.826 -6.808 -13.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 9.604 -7.759 -11.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 8.802 -6.270 -12.077 1.00 0.00 H new ATOM 618 N ASP A 39 9.995 -0.983 -7.884 1.00 0.00 N ATOM 619 CA ASP A 39 9.232 0.260 -7.898 1.00 0.00 C ATOM 620 C ASP A 39 7.832 0.032 -8.463 1.00 0.00 C ATOM 621 O ASP A 39 7.675 -0.503 -9.559 1.00 0.00 O ATOM 622 CB ASP A 39 9.961 1.322 -8.722 1.00 0.00 C ATOM 623 CG ASP A 39 9.715 2.725 -8.204 1.00 0.00 C ATOM 624 OD1 ASP A 39 9.812 2.930 -6.976 1.00 0.00 O ATOM 625 OD2 ASP A 39 9.429 3.619 -9.028 1.00 0.00 O ATOM 0 H ASP A 39 10.934 -0.905 -8.275 1.00 0.00 H new ATOM 0 HA ASP A 39 9.137 0.611 -6.870 1.00 0.00 H new ATOM 0 HB2 ASP A 39 11.031 1.116 -8.710 1.00 0.00 H new ATOM 0 HB3 ASP A 39 9.636 1.259 -9.760 1.00 0.00 H new ATOM 630 N ASN A 40 6.820 0.440 -7.705 1.00 0.00 N ATOM 631 CA ASN A 40 5.435 0.280 -8.130 1.00 0.00 C ATOM 632 C ASN A 40 5.103 -1.192 -8.359 1.00 0.00 C ATOM 633 O ASN A 40 4.947 -1.633 -9.496 1.00 0.00 O ATOM 634 CB ASN A 40 5.175 1.078 -9.408 1.00 0.00 C ATOM 635 CG ASN A 40 6.155 2.221 -9.585 1.00 0.00 C ATOM 636 OD1 ASN A 40 7.188 2.073 -10.237 1.00 0.00 O ATOM 637 ND2 ASN A 40 5.833 3.371 -9.004 1.00 0.00 N ATOM 0 H ASN A 40 6.933 0.884 -6.794 1.00 0.00 H new ATOM 0 HA ASN A 40 4.792 0.660 -7.336 1.00 0.00 H new ATOM 0 HB2 ASN A 40 5.239 0.412 -10.268 1.00 0.00 H new ATOM 0 HB3 ASN A 40 4.160 1.474 -9.386 1.00 0.00 H new ATOM 0 HD21 ASN A 40 6.453 4.177 -9.089 1.00 0.00 H new ATOM 0 HD22 ASN A 40 4.966 3.449 -8.473 1.00 0.00 H new ATOM 644 N ASN A 41 4.997 -1.946 -7.269 1.00 0.00 N ATOM 645 CA ASN A 41 4.684 -3.368 -7.352 1.00 0.00 C ATOM 646 C ASN A 41 3.176 -3.597 -7.317 1.00 0.00 C ATOM 647 O ASN A 41 2.545 -3.810 -8.352 1.00 0.00 O ATOM 648 CB ASN A 41 5.353 -4.126 -6.202 1.00 0.00 C ATOM 649 CG ASN A 41 6.569 -4.910 -6.656 1.00 0.00 C ATOM 650 OD1 ASN A 41 7.073 -4.709 -7.761 1.00 0.00 O ATOM 651 ND2 ASN A 41 7.045 -5.809 -5.804 1.00 0.00 N ATOM 0 H ASN A 41 5.123 -1.596 -6.319 1.00 0.00 H new ATOM 0 HA ASN A 41 5.068 -3.744 -8.300 1.00 0.00 H new ATOM 0 HB2 ASN A 41 5.649 -3.418 -5.428 1.00 0.00 H new ATOM 0 HB3 ASN A 41 4.632 -4.808 -5.752 1.00 0.00 H new ATOM 0 HD21 ASN A 41 7.861 -6.367 -6.055 1.00 0.00 H new ATOM 0 HD22 ASN A 41 6.595 -5.942 -4.898 1.00 0.00 H new ATOM 658 N LYS A 42 2.604 -3.550 -6.118 1.00 0.00 N ATOM 659 CA LYS A 42 1.170 -3.749 -5.947 1.00 0.00 C ATOM 660 C LYS A 42 0.781 -3.660 -4.475 1.00 0.00 C ATOM 661 O LYS A 42 1.534 -4.084 -3.597 1.00 0.00 O ATOM 662 CB LYS A 42 0.751 -5.106 -6.516 1.00 0.00 C ATOM 663 CG LYS A 42 -0.655 -5.524 -6.120 1.00 0.00 C ATOM 664 CD LYS A 42 -1.327 -6.329 -7.220 1.00 0.00 C ATOM 665 CE LYS A 42 -2.174 -5.443 -8.121 1.00 0.00 C ATOM 666 NZ LYS A 42 -2.053 -5.830 -9.553 1.00 0.00 N ATOM 0 H LYS A 42 3.112 -3.376 -5.251 1.00 0.00 H new ATOM 0 HA LYS A 42 0.651 -2.959 -6.490 1.00 0.00 H new ATOM 0 HB2 LYS A 42 0.818 -5.071 -7.603 1.00 0.00 H new ATOM 0 HB3 LYS A 42 1.456 -5.866 -6.178 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -0.616 -6.117 -5.206 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -1.251 -4.638 -5.900 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -0.569 -6.837 -7.816 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -1.953 -7.102 -6.776 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -3.218 -5.507 -7.815 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -1.869 -4.404 -7.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -2.645 -5.202 -10.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -1.061 -5.745 -9.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -2.368 -6.814 -9.675 1.00 0.00 H new ATOM 680 N CYS A 43 -0.399 -3.109 -4.212 1.00 0.00 N ATOM 681 CA CYS A 43 -0.889 -2.966 -2.845 1.00 0.00 C ATOM 682 C CYS A 43 -2.354 -2.545 -2.834 1.00 0.00 C ATOM 683 O CYS A 43 -2.813 -1.828 -3.723 1.00 0.00 O ATOM 684 CB CYS A 43 -0.046 -1.942 -2.084 1.00 0.00 C ATOM 685 SG CYS A 43 -0.200 -0.251 -2.707 1.00 0.00 S ATOM 0 H CYS A 43 -1.034 -2.754 -4.927 1.00 0.00 H new ATOM 0 HA CYS A 43 -0.804 -3.934 -2.352 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -0.335 -1.958 -1.033 1.00 0.00 H new ATOM 0 HB3 CYS A 43 1.001 -2.242 -2.132 1.00 0.00 H new ATOM 0 HG CYS A 43 -1.000 0.424 -1.936 1.00 0.00 H new ATOM 691 N THR A 44 -3.087 -2.999 -1.821 1.00 0.00 N ATOM 692 CA THR A 44 -4.502 -2.673 -1.696 1.00 0.00 C ATOM 693 C THR A 44 -4.835 -2.206 -0.283 1.00 0.00 C ATOM 694 O THR A 44 -4.104 -2.491 0.665 1.00 0.00 O ATOM 695 CB THR A 44 -5.391 -3.881 -2.047 1.00 0.00 C ATOM 696 OG1 THR A 44 -4.683 -5.099 -1.794 1.00 0.00 O ATOM 697 CG2 THR A 44 -5.819 -3.831 -3.506 1.00 0.00 C ATOM 0 H THR A 44 -2.724 -3.593 -1.076 1.00 0.00 H new ATOM 0 HA THR A 44 -4.704 -1.866 -2.401 1.00 0.00 H new ATOM 0 HB THR A 44 -6.283 -3.843 -1.421 1.00 0.00 H new ATOM 0 HG1 THR A 44 -5.255 -5.863 -2.018 1.00 0.00 H new ATOM 0 HG21 THR A 44 -6.446 -4.694 -3.731 1.00 0.00 H new ATOM 0 HG22 THR A 44 -6.382 -2.916 -3.689 1.00 0.00 H new ATOM 0 HG23 THR A 44 -4.936 -3.847 -4.145 1.00 0.00 H new ATOM 705 N VAL A 45 -5.944 -1.485 -0.149 1.00 0.00 N ATOM 706 CA VAL A 45 -6.375 -0.980 1.148 1.00 0.00 C ATOM 707 C VAL A 45 -7.893 -0.857 1.215 1.00 0.00 C ATOM 708 O VAL A 45 -8.531 -0.407 0.262 1.00 0.00 O ATOM 709 CB VAL A 45 -5.746 0.393 1.453 1.00 0.00 C ATOM 710 CG1 VAL A 45 -6.267 0.937 2.775 1.00 0.00 C ATOM 711 CG2 VAL A 45 -4.229 0.292 1.470 1.00 0.00 C ATOM 0 H VAL A 45 -6.560 -1.238 -0.924 1.00 0.00 H new ATOM 0 HA VAL A 45 -6.039 -1.700 1.894 1.00 0.00 H new ATOM 0 HB VAL A 45 -6.032 1.088 0.663 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -5.812 1.907 2.974 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -7.350 1.048 2.721 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -6.013 0.246 3.578 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -3.802 1.271 1.687 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -3.920 -0.417 2.238 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -3.876 -0.050 0.497 1.00 0.00 H new ATOM 721 N ASP A 46 -8.466 -1.260 2.344 1.00 0.00 N ATOM 722 CA ASP A 46 -9.910 -1.193 2.535 1.00 0.00 C ATOM 723 C ASP A 46 -10.263 -0.257 3.685 1.00 0.00 C ATOM 724 O ASP A 46 -9.442 0.001 4.567 1.00 0.00 O ATOM 725 CB ASP A 46 -10.474 -2.588 2.804 1.00 0.00 C ATOM 726 CG ASP A 46 -11.916 -2.727 2.355 1.00 0.00 C ATOM 727 OD1 ASP A 46 -12.790 -2.065 2.953 1.00 0.00 O ATOM 728 OD2 ASP A 46 -12.169 -3.496 1.404 1.00 0.00 O ATOM 0 H ASP A 46 -7.952 -1.637 3.141 1.00 0.00 H new ATOM 0 HA ASP A 46 -10.355 -0.799 1.621 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -9.863 -3.329 2.289 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -10.406 -2.805 3.870 1.00 0.00 H new ATOM 733 N THR A 47 -11.491 0.253 3.672 1.00 0.00 N ATOM 734 CA THR A 47 -11.953 1.164 4.712 1.00 0.00 C ATOM 735 C THR A 47 -12.786 0.428 5.756 1.00 0.00 C ATOM 736 O THR A 47 -13.119 0.984 6.803 1.00 0.00 O ATOM 737 CB THR A 47 -12.790 2.314 4.121 1.00 0.00 C ATOM 738 OG1 THR A 47 -14.060 1.820 3.683 1.00 0.00 O ATOM 739 CG2 THR A 47 -12.064 2.967 2.955 1.00 0.00 C ATOM 0 H THR A 47 -12.184 0.050 2.952 1.00 0.00 H new ATOM 0 HA THR A 47 -11.064 1.579 5.187 1.00 0.00 H new ATOM 0 HB THR A 47 -12.941 3.062 4.899 1.00 0.00 H new ATOM 0 HG1 THR A 47 -14.587 2.557 3.310 1.00 0.00 H new ATOM 0 HG21 THR A 47 -12.674 3.776 2.554 1.00 0.00 H new ATOM 0 HG22 THR A 47 -11.110 3.368 3.299 1.00 0.00 H new ATOM 0 HG23 THR A 47 -11.887 2.226 2.176 1.00 0.00 H new ATOM 747 N TYR A 48 -13.119 -0.825 5.465 1.00 0.00 N ATOM 748 CA TYR A 48 -13.916 -1.637 6.378 1.00 0.00 C ATOM 749 C TYR A 48 -13.313 -1.628 7.780 1.00 0.00 C ATOM 750 O TYR A 48 -14.004 -1.360 8.761 1.00 0.00 O ATOM 751 CB TYR A 48 -14.016 -3.072 5.862 1.00 0.00 C ATOM 752 CG TYR A 48 -14.663 -4.025 6.842 1.00 0.00 C ATOM 753 CD1 TYR A 48 -16.027 -3.967 7.099 1.00 0.00 C ATOM 754 CD2 TYR A 48 -13.910 -4.982 7.511 1.00 0.00 C ATOM 755 CE1 TYR A 48 -16.622 -4.834 7.995 1.00 0.00 C ATOM 756 CE2 TYR A 48 -14.497 -5.854 8.407 1.00 0.00 C ATOM 757 CZ TYR A 48 -15.854 -5.776 8.646 1.00 0.00 C ATOM 758 OH TYR A 48 -16.443 -6.643 9.538 1.00 0.00 O ATOM 0 H TYR A 48 -12.849 -1.301 4.604 1.00 0.00 H new ATOM 0 HA TYR A 48 -14.916 -1.207 6.429 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -14.587 -3.076 4.933 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -13.016 -3.434 5.623 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -16.632 -3.232 6.590 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -12.848 -5.045 7.327 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -17.684 -4.774 8.185 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -13.897 -6.593 8.918 1.00 0.00 H new ATOM 0 HH TYR A 48 -15.763 -7.243 9.908 1.00 0.00 H new ATOM 768 N ASN A 49 -12.020 -1.925 7.862 1.00 0.00 N ATOM 769 CA ASN A 49 -11.323 -1.952 9.143 1.00 0.00 C ATOM 770 C ASN A 49 -9.857 -1.568 8.973 1.00 0.00 C ATOM 771 O ASN A 49 -8.976 -2.143 9.610 1.00 0.00 O ATOM 772 CB ASN A 49 -11.428 -3.342 9.774 1.00 0.00 C ATOM 773 CG ASN A 49 -10.952 -4.438 8.842 1.00 0.00 C ATOM 774 OD1 ASN A 49 -10.321 -4.168 7.819 1.00 0.00 O ATOM 775 ND2 ASN A 49 -11.253 -5.684 9.190 1.00 0.00 N ATOM 0 H ASN A 49 -11.434 -2.150 7.058 1.00 0.00 H new ATOM 0 HA ASN A 49 -11.796 -1.224 9.802 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -10.839 -3.367 10.691 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -12.464 -3.533 10.056 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -10.959 -6.463 8.601 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -11.778 -5.862 10.046 1.00 0.00 H new ATOM 782 N ASN A 50 -9.603 -0.591 8.108 1.00 0.00 N ATOM 783 CA ASN A 50 -8.243 -0.129 7.853 1.00 0.00 C ATOM 784 C ASN A 50 -7.320 -1.303 7.544 1.00 0.00 C ATOM 785 O ASN A 50 -6.335 -1.533 8.246 1.00 0.00 O ATOM 786 CB ASN A 50 -7.713 0.648 9.059 1.00 0.00 C ATOM 787 CG ASN A 50 -6.644 1.654 8.675 1.00 0.00 C ATOM 788 OD1 ASN A 50 -5.561 1.680 9.258 1.00 0.00 O ATOM 789 ND2 ASN A 50 -6.946 2.488 7.686 1.00 0.00 N ATOM 0 H ASN A 50 -10.321 -0.104 7.572 1.00 0.00 H new ATOM 0 HA ASN A 50 -8.265 0.531 6.986 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -8.539 1.167 9.545 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -7.304 -0.052 9.788 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -6.267 3.186 7.382 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -7.857 2.431 7.231 1.00 0.00 H new ATOM 796 N ALA A 51 -7.644 -2.042 6.488 1.00 0.00 N ATOM 797 CA ALA A 51 -6.843 -3.190 6.084 1.00 0.00 C ATOM 798 C ALA A 51 -5.775 -2.786 5.072 1.00 0.00 C ATOM 799 O ALA A 51 -6.023 -1.969 4.186 1.00 0.00 O ATOM 800 CB ALA A 51 -7.733 -4.279 5.506 1.00 0.00 C ATOM 0 H ALA A 51 -8.456 -1.866 5.897 1.00 0.00 H new ATOM 0 HA ALA A 51 -6.340 -3.579 6.969 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -7.120 -5.130 5.209 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -8.455 -4.597 6.259 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -8.263 -3.892 4.636 1.00 0.00 H new ATOM 806 N VAL A 52 -4.586 -3.363 5.211 1.00 0.00 N ATOM 807 CA VAL A 52 -3.481 -3.063 4.309 1.00 0.00 C ATOM 808 C VAL A 52 -2.793 -4.340 3.838 1.00 0.00 C ATOM 809 O VAL A 52 -2.413 -5.187 4.647 1.00 0.00 O ATOM 810 CB VAL A 52 -2.438 -2.150 4.982 1.00 0.00 C ATOM 811 CG1 VAL A 52 -1.430 -1.646 3.961 1.00 0.00 C ATOM 812 CG2 VAL A 52 -3.123 -0.988 5.686 1.00 0.00 C ATOM 0 H VAL A 52 -4.363 -4.041 5.940 1.00 0.00 H new ATOM 0 HA VAL A 52 -3.907 -2.545 3.450 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.900 -2.732 5.730 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -0.702 -1.003 4.455 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -0.917 -2.494 3.507 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.948 -1.079 3.187 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.372 -0.353 6.156 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -3.688 -0.404 4.959 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -3.801 -1.373 6.448 1.00 0.00 H new ATOM 822 N ASP A 53 -2.635 -4.470 2.526 1.00 0.00 N ATOM 823 CA ASP A 53 -1.991 -5.644 1.947 1.00 0.00 C ATOM 824 C ASP A 53 -0.760 -5.244 1.138 1.00 0.00 C ATOM 825 O ASP A 53 -0.526 -4.061 0.890 1.00 0.00 O ATOM 826 CB ASP A 53 -2.975 -6.406 1.059 1.00 0.00 C ATOM 827 CG ASP A 53 -4.107 -7.031 1.851 1.00 0.00 C ATOM 828 OD1 ASP A 53 -5.107 -6.329 2.111 1.00 0.00 O ATOM 829 OD2 ASP A 53 -3.993 -8.221 2.211 1.00 0.00 O ATOM 0 H ASP A 53 -2.943 -3.778 1.843 1.00 0.00 H new ATOM 0 HA ASP A 53 -1.673 -6.293 2.763 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -3.389 -5.726 0.314 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -2.441 -7.186 0.517 1.00 0.00 H new ATOM 834 N CYS A 54 0.021 -6.238 0.731 1.00 0.00 N ATOM 835 CA CYS A 54 1.229 -5.991 -0.048 1.00 0.00 C ATOM 836 C CYS A 54 1.235 -6.829 -1.323 1.00 0.00 C ATOM 837 O CYS A 54 0.447 -7.764 -1.467 1.00 0.00 O ATOM 838 CB CYS A 54 2.473 -6.302 0.787 1.00 0.00 C ATOM 839 SG CYS A 54 2.710 -8.060 1.132 1.00 0.00 S ATOM 0 H CYS A 54 -0.160 -7.222 0.927 1.00 0.00 H new ATOM 0 HA CYS A 54 1.242 -4.937 -0.327 1.00 0.00 H new ATOM 0 HB2 CYS A 54 3.352 -5.924 0.265 1.00 0.00 H new ATOM 0 HB3 CYS A 54 2.407 -5.763 1.732 1.00 0.00 H new ATOM 0 HG CYS A 54 3.974 -8.351 1.052 1.00 0.00 H new ATOM 845 N ASP A 55 2.129 -6.487 -2.245 1.00 0.00 N ATOM 846 CA ASP A 55 2.236 -7.207 -3.508 1.00 0.00 C ATOM 847 C ASP A 55 2.651 -8.657 -3.273 1.00 0.00 C ATOM 848 O ASP A 55 1.846 -9.479 -2.830 1.00 0.00 O ATOM 849 CB ASP A 55 3.246 -6.519 -4.428 1.00 0.00 C ATOM 850 CG ASP A 55 3.583 -7.354 -5.648 1.00 0.00 C ATOM 851 OD1 ASP A 55 2.698 -8.098 -6.119 1.00 0.00 O ATOM 852 OD2 ASP A 55 4.732 -7.265 -6.130 1.00 0.00 O ATOM 0 H ASP A 55 2.789 -5.716 -2.141 1.00 0.00 H new ATOM 0 HA ASP A 55 1.256 -7.200 -3.986 1.00 0.00 H new ATOM 0 HB2 ASP A 55 2.844 -5.558 -4.749 1.00 0.00 H new ATOM 0 HB3 ASP A 55 4.159 -6.312 -3.870 1.00 0.00 H new