USER MOD reduce.3.24.130724 H: found=0, std=0, add=418, rem=0, adj=19 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 30 LYS NZ :NH3+ -155:sc= 0.611 (180deg=0) USER MOD Set 1.2: A 54 CYS SG : rot 54:sc= -0.794 USER MOD Set 2.1: A 7 CYS SG : rot -165:sc= 1.47 USER MOD Set 2.2: A 12 ASN : amide:sc= 0.369 K(o=1.9,f=-0.46) USER MOD Set 2.3: A 28 CYS SG : rot 166:sc= -0.597 USER MOD Set 2.4: A 43 CYS SG : rot 112:sc= 0.614 USER MOD Set 3.1: A 36 CYS SG : rot 92:sc= -0.44 USER MOD Set 3.2: A 38 LYS NZ :NH3+ -159:sc= -0.0525 (180deg=-0.343) USER MOD Set 3.3: A 41 ASN : amide:sc= -2.18 K(o=-2.7,f=-5.3!) USER MOD Set 4.1: A 18 ASN : amide:sc= -0.492 K(o=-0.93,f=-0.037) USER MOD Set 4.2: A 24 THR OG1 : rot 180:sc= -0.436 USER MOD Set 5.1: A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 5.2: A 40 ASN : amide:sc= -0.296 X(o=-0.3,f=-0.56) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 68:sc= -0.0125 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= -0.16 USER MOD Single : A 11 LYS NZ :NH3+ -145:sc= -0.568 (180deg=-3.41!) USER MOD Single : A 14 CYS SG : rot -112:sc= -0.909 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 180:sc= -0.61 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 33 ASN : amide:sc= -0.986 K(o=-0.99,f=-1.8!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.0301 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0.00257 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -2.05! C(o=-2!,f=-8.3!) USER MOD Single : A 50 ASN : amide:sc= -0.501 K(o=-0.5,f=0) USER MOD ----------------------------------------------------------------- ATOM 11 N LYS A 2 -13.126 1.846 -1.478 1.00 0.00 N ATOM 12 CA LYS A 2 -11.837 1.167 -1.552 1.00 0.00 C ATOM 13 C LYS A 2 -10.784 2.068 -2.188 1.00 0.00 C ATOM 14 O LYS A 2 -11.099 3.143 -2.699 1.00 0.00 O ATOM 15 CB LYS A 2 -11.968 -0.129 -2.355 1.00 0.00 C ATOM 16 CG LYS A 2 -13.150 -0.986 -1.939 1.00 0.00 C ATOM 17 CD LYS A 2 -13.133 -2.336 -2.636 1.00 0.00 C ATOM 18 CE LYS A 2 -13.603 -2.224 -4.079 1.00 0.00 C ATOM 19 NZ LYS A 2 -13.348 -3.476 -4.843 1.00 0.00 N ATOM 0 HA LYS A 2 -11.520 0.928 -0.537 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -12.063 0.117 -3.413 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -11.052 -0.710 -2.244 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -13.132 -1.133 -0.859 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -14.078 -0.466 -2.174 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -12.124 -2.747 -2.612 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -13.774 -3.033 -2.096 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -14.669 -1.998 -4.097 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -13.092 -1.392 -4.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -13.682 -3.360 -5.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -12.328 -3.678 -4.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -13.856 -4.265 -4.395 1.00 0.00 H new ATOM 33 N TYR A 3 -9.533 1.621 -2.157 1.00 0.00 N ATOM 34 CA TYR A 3 -8.433 2.387 -2.730 1.00 0.00 C ATOM 35 C TYR A 3 -7.369 1.461 -3.311 1.00 0.00 C ATOM 36 O TYR A 3 -7.479 0.238 -3.226 1.00 0.00 O ATOM 37 CB TYR A 3 -7.809 3.296 -1.669 1.00 0.00 C ATOM 38 CG TYR A 3 -8.826 4.085 -0.874 1.00 0.00 C ATOM 39 CD1 TYR A 3 -9.470 5.185 -1.429 1.00 0.00 C ATOM 40 CD2 TYR A 3 -9.144 3.729 0.431 1.00 0.00 C ATOM 41 CE1 TYR A 3 -10.398 5.907 -0.706 1.00 0.00 C ATOM 42 CE2 TYR A 3 -10.073 4.446 1.161 1.00 0.00 C ATOM 43 CZ TYR A 3 -10.696 5.534 0.588 1.00 0.00 C ATOM 44 OH TYR A 3 -11.622 6.252 1.312 1.00 0.00 O ATOM 0 H TYR A 3 -9.256 0.732 -1.741 1.00 0.00 H new ATOM 0 HA TYR A 3 -8.834 3.002 -3.536 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -7.217 2.688 -0.984 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -7.122 3.989 -2.155 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -9.240 5.479 -2.442 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -8.657 2.877 0.883 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -10.888 6.760 -1.151 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -10.309 4.156 2.174 1.00 0.00 H new ATOM 0 HH TYR A 3 -11.717 5.858 2.204 1.00 0.00 H new ATOM 54 N THR A 4 -6.336 2.055 -3.903 1.00 0.00 N ATOM 55 CA THR A 4 -5.251 1.286 -4.498 1.00 0.00 C ATOM 56 C THR A 4 -3.979 2.119 -4.602 1.00 0.00 C ATOM 57 O THR A 4 -4.035 3.341 -4.735 1.00 0.00 O ATOM 58 CB THR A 4 -5.631 0.772 -5.900 1.00 0.00 C ATOM 59 OG1 THR A 4 -6.825 1.422 -6.354 1.00 0.00 O ATOM 60 CG2 THR A 4 -5.842 -0.735 -5.886 1.00 0.00 C ATOM 0 H THR A 4 -6.229 3.066 -3.983 1.00 0.00 H new ATOM 0 HA THR A 4 -5.071 0.434 -3.843 1.00 0.00 H new ATOM 0 HB THR A 4 -4.811 1.002 -6.581 1.00 0.00 H new ATOM 0 HG1 THR A 4 -7.059 1.091 -7.246 1.00 0.00 H new ATOM 0 HG21 THR A 4 -6.109 -1.074 -6.887 1.00 0.00 H new ATOM 0 HG22 THR A 4 -4.923 -1.228 -5.569 1.00 0.00 H new ATOM 0 HG23 THR A 4 -6.645 -0.984 -5.192 1.00 0.00 H new ATOM 68 N GLY A 5 -2.832 1.449 -4.542 1.00 0.00 N ATOM 69 CA GLY A 5 -1.562 2.145 -4.632 1.00 0.00 C ATOM 70 C GLY A 5 -0.425 1.227 -5.038 1.00 0.00 C ATOM 71 O GLY A 5 -0.653 0.088 -5.448 1.00 0.00 O ATOM 0 H GLY A 5 -2.760 0.437 -4.433 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -1.646 2.956 -5.355 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -1.331 2.600 -3.669 1.00 0.00 H new ATOM 75 N LYS A 6 0.802 1.722 -4.926 1.00 0.00 N ATOM 76 CA LYS A 6 1.980 0.941 -5.284 1.00 0.00 C ATOM 77 C LYS A 6 3.157 1.282 -4.376 1.00 0.00 C ATOM 78 O LYS A 6 3.315 2.428 -3.954 1.00 0.00 O ATOM 79 CB LYS A 6 2.359 1.191 -6.745 1.00 0.00 C ATOM 80 CG LYS A 6 1.168 1.207 -7.688 1.00 0.00 C ATOM 81 CD LYS A 6 1.607 1.176 -9.142 1.00 0.00 C ATOM 82 CE LYS A 6 1.038 2.350 -9.922 1.00 0.00 C ATOM 83 NZ LYS A 6 1.293 2.222 -11.384 1.00 0.00 N ATOM 0 H LYS A 6 1.007 2.663 -4.589 1.00 0.00 H new ATOM 0 HA LYS A 6 1.738 -0.114 -5.154 1.00 0.00 H new ATOM 0 HB2 LYS A 6 2.882 2.144 -6.818 1.00 0.00 H new ATOM 0 HB3 LYS A 6 3.057 0.419 -7.068 1.00 0.00 H new ATOM 0 HG2 LYS A 6 0.528 0.349 -7.482 1.00 0.00 H new ATOM 0 HG3 LYS A 6 0.571 2.101 -7.506 1.00 0.00 H new ATOM 0 HD2 LYS A 6 2.696 1.196 -9.195 1.00 0.00 H new ATOM 0 HD3 LYS A 6 1.283 0.242 -9.601 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -0.035 2.417 -9.745 1.00 0.00 H new ATOM 0 HE3 LYS A 6 1.480 3.277 -9.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 0.889 3.042 -11.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 2.318 2.184 -11.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 0.850 1.351 -11.739 1.00 0.00 H new ATOM 97 N CYS A 7 3.981 0.283 -4.083 1.00 0.00 N ATOM 98 CA CYS A 7 5.145 0.478 -3.225 1.00 0.00 C ATOM 99 C CYS A 7 6.357 0.906 -4.045 1.00 0.00 C ATOM 100 O CYS A 7 6.309 0.940 -5.275 1.00 0.00 O ATOM 101 CB CYS A 7 5.460 -0.806 -2.458 1.00 0.00 C ATOM 102 SG CYS A 7 4.205 -1.268 -1.241 1.00 0.00 S ATOM 0 H CYS A 7 3.865 -0.670 -4.427 1.00 0.00 H new ATOM 0 HA CYS A 7 4.913 1.269 -2.512 1.00 0.00 H new ATOM 0 HB2 CYS A 7 5.577 -1.622 -3.171 1.00 0.00 H new ATOM 0 HB3 CYS A 7 6.417 -0.687 -1.950 1.00 0.00 H new ATOM 0 HG CYS A 7 4.689 -2.169 -0.439 1.00 0.00 H new ATOM 108 N THR A 8 7.445 1.235 -3.355 1.00 0.00 N ATOM 109 CA THR A 8 8.670 1.664 -4.018 1.00 0.00 C ATOM 110 C THR A 8 9.856 0.806 -3.591 1.00 0.00 C ATOM 111 O THR A 8 10.921 1.324 -3.256 1.00 0.00 O ATOM 112 CB THR A 8 8.984 3.142 -3.717 1.00 0.00 C ATOM 113 OG1 THR A 8 9.472 3.274 -2.377 1.00 0.00 O ATOM 114 CG2 THR A 8 7.746 4.006 -3.899 1.00 0.00 C ATOM 0 H THR A 8 7.502 1.212 -2.337 1.00 0.00 H new ATOM 0 HA THR A 8 8.507 1.546 -5.089 1.00 0.00 H new ATOM 0 HB THR A 8 9.748 3.479 -4.417 1.00 0.00 H new ATOM 0 HG1 THR A 8 10.349 2.843 -2.304 1.00 0.00 H new ATOM 0 HG21 THR A 8 7.992 5.045 -3.681 1.00 0.00 H new ATOM 0 HG22 THR A 8 7.394 3.925 -4.927 1.00 0.00 H new ATOM 0 HG23 THR A 8 6.964 3.668 -3.219 1.00 0.00 H new ATOM 122 N LYS A 9 9.665 -0.509 -3.607 1.00 0.00 N ATOM 123 CA LYS A 9 10.720 -1.439 -3.224 1.00 0.00 C ATOM 124 C LYS A 9 11.097 -1.261 -1.756 1.00 0.00 C ATOM 125 O LYS A 9 10.619 -1.992 -0.889 1.00 0.00 O ATOM 126 CB LYS A 9 11.954 -1.237 -4.106 1.00 0.00 C ATOM 127 CG LYS A 9 12.036 -2.210 -5.269 1.00 0.00 C ATOM 128 CD LYS A 9 13.223 -1.906 -6.169 1.00 0.00 C ATOM 129 CE LYS A 9 14.078 -3.142 -6.399 1.00 0.00 C ATOM 130 NZ LYS A 9 15.243 -2.853 -7.282 1.00 0.00 N ATOM 0 H LYS A 9 8.789 -0.954 -3.881 1.00 0.00 H new ATOM 0 HA LYS A 9 10.343 -2.452 -3.364 1.00 0.00 H new ATOM 0 HB2 LYS A 9 11.950 -0.219 -4.495 1.00 0.00 H new ATOM 0 HB3 LYS A 9 12.849 -1.340 -3.493 1.00 0.00 H new ATOM 0 HG2 LYS A 9 12.119 -3.228 -4.888 1.00 0.00 H new ATOM 0 HG3 LYS A 9 11.115 -2.161 -5.851 1.00 0.00 H new ATOM 0 HD2 LYS A 9 12.867 -1.525 -7.126 1.00 0.00 H new ATOM 0 HD3 LYS A 9 13.830 -1.121 -5.719 1.00 0.00 H new ATOM 0 HE2 LYS A 9 14.433 -3.521 -5.441 1.00 0.00 H new ATOM 0 HE3 LYS A 9 13.469 -3.927 -6.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 15.801 -3.720 -7.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 14.904 -2.515 -8.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 15.838 -2.122 -6.843 1.00 0.00 H new ATOM 144 N SER A 10 11.955 -0.282 -1.486 1.00 0.00 N ATOM 145 CA SER A 10 12.398 -0.009 -0.124 1.00 0.00 C ATOM 146 C SER A 10 11.223 0.413 0.755 1.00 0.00 C ATOM 147 O SER A 10 11.041 -0.102 1.858 1.00 0.00 O ATOM 148 CB SER A 10 13.469 1.083 -0.122 1.00 0.00 C ATOM 149 OG SER A 10 12.933 2.323 -0.549 1.00 0.00 O ATOM 0 H SER A 10 12.357 0.335 -2.192 1.00 0.00 H new ATOM 0 HA SER A 10 12.824 -0.926 0.284 1.00 0.00 H new ATOM 0 HB2 SER A 10 13.884 1.188 0.881 1.00 0.00 H new ATOM 0 HB3 SER A 10 14.290 0.793 -0.778 1.00 0.00 H new ATOM 0 HG SER A 10 13.637 3.005 -0.537 1.00 0.00 H new ATOM 155 N LYS A 11 10.428 1.353 0.256 1.00 0.00 N ATOM 156 CA LYS A 11 9.269 1.846 0.992 1.00 0.00 C ATOM 157 C LYS A 11 8.036 1.001 0.693 1.00 0.00 C ATOM 158 O LYS A 11 7.298 1.276 -0.253 1.00 0.00 O ATOM 159 CB LYS A 11 8.998 3.309 0.636 1.00 0.00 C ATOM 160 CG LYS A 11 9.125 4.256 1.817 1.00 0.00 C ATOM 161 CD LYS A 11 8.179 3.874 2.942 1.00 0.00 C ATOM 162 CE LYS A 11 8.933 3.588 4.232 1.00 0.00 C ATOM 163 NZ LYS A 11 9.066 2.126 4.484 1.00 0.00 N ATOM 0 H LYS A 11 10.565 1.789 -0.656 1.00 0.00 H new ATOM 0 HA LYS A 11 9.488 1.773 2.057 1.00 0.00 H new ATOM 0 HB2 LYS A 11 9.693 3.619 -0.144 1.00 0.00 H new ATOM 0 HB3 LYS A 11 7.994 3.393 0.220 1.00 0.00 H new ATOM 0 HG2 LYS A 11 10.151 4.246 2.184 1.00 0.00 H new ATOM 0 HG3 LYS A 11 8.913 5.275 1.492 1.00 0.00 H new ATOM 0 HD2 LYS A 11 7.465 4.681 3.108 1.00 0.00 H new ATOM 0 HD3 LYS A 11 7.604 2.994 2.653 1.00 0.00 H new ATOM 0 HE2 LYS A 11 9.924 4.039 4.181 1.00 0.00 H new ATOM 0 HE3 LYS A 11 8.412 4.055 5.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 9.012 1.944 5.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 8.297 1.619 4.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 9.982 1.793 4.121 1.00 0.00 H new ATOM 177 N ASN A 12 7.816 -0.028 1.505 1.00 0.00 N ATOM 178 CA ASN A 12 6.671 -0.912 1.328 1.00 0.00 C ATOM 179 C ASN A 12 5.399 -0.270 1.872 1.00 0.00 C ATOM 180 O ASN A 12 4.749 -0.814 2.764 1.00 0.00 O ATOM 181 CB ASN A 12 6.919 -2.250 2.027 1.00 0.00 C ATOM 182 CG ASN A 12 5.778 -3.228 1.827 1.00 0.00 C ATOM 183 OD1 ASN A 12 5.295 -3.415 0.710 1.00 0.00 O ATOM 184 ND2 ASN A 12 5.341 -3.858 2.911 1.00 0.00 N ATOM 0 H ASN A 12 8.417 -0.270 2.293 1.00 0.00 H new ATOM 0 HA ASN A 12 6.541 -1.087 0.260 1.00 0.00 H new ATOM 0 HB2 ASN A 12 7.841 -2.690 1.647 1.00 0.00 H new ATOM 0 HB3 ASN A 12 7.064 -2.078 3.094 1.00 0.00 H new ATOM 0 HD21 ASN A 12 4.575 -4.528 2.838 1.00 0.00 H new ATOM 0 HD22 ASN A 12 5.771 -3.672 3.817 1.00 0.00 H new ATOM 191 N GLU A 13 5.049 0.891 1.327 1.00 0.00 N ATOM 192 CA GLU A 13 3.853 1.607 1.758 1.00 0.00 C ATOM 193 C GLU A 13 2.861 1.752 0.608 1.00 0.00 C ATOM 194 O GLU A 13 3.250 1.799 -0.559 1.00 0.00 O ATOM 195 CB GLU A 13 4.228 2.989 2.299 1.00 0.00 C ATOM 196 CG GLU A 13 4.761 3.935 1.237 1.00 0.00 C ATOM 197 CD GLU A 13 5.405 5.174 1.830 1.00 0.00 C ATOM 198 OE1 GLU A 13 5.292 5.373 3.057 1.00 0.00 O ATOM 199 OE2 GLU A 13 6.022 5.944 1.064 1.00 0.00 O ATOM 0 H GLU A 13 5.576 1.356 0.587 1.00 0.00 H new ATOM 0 HA GLU A 13 3.380 1.029 2.552 1.00 0.00 H new ATOM 0 HB2 GLU A 13 3.351 3.437 2.765 1.00 0.00 H new ATOM 0 HB3 GLU A 13 4.980 2.872 3.080 1.00 0.00 H new ATOM 0 HG2 GLU A 13 5.491 3.410 0.621 1.00 0.00 H new ATOM 0 HG3 GLU A 13 3.945 4.234 0.579 1.00 0.00 H new ATOM 206 N CYS A 14 1.579 1.821 0.947 1.00 0.00 N ATOM 207 CA CYS A 14 0.529 1.959 -0.056 1.00 0.00 C ATOM 208 C CYS A 14 0.252 3.429 -0.356 1.00 0.00 C ATOM 209 O CYS A 14 -0.159 4.186 0.524 1.00 0.00 O ATOM 210 CB CYS A 14 -0.753 1.272 0.418 1.00 0.00 C ATOM 211 SG CYS A 14 -2.163 1.493 -0.691 1.00 0.00 S ATOM 0 H CYS A 14 1.241 1.784 1.909 1.00 0.00 H new ATOM 0 HA CYS A 14 0.872 1.479 -0.972 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -0.559 0.206 0.534 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -1.016 1.657 1.403 1.00 0.00 H new ATOM 0 HG CYS A 14 -3.059 2.235 -0.111 1.00 0.00 H new ATOM 217 N LYS A 15 0.482 3.826 -1.603 1.00 0.00 N ATOM 218 CA LYS A 15 0.257 5.205 -2.020 1.00 0.00 C ATOM 219 C LYS A 15 -1.054 5.335 -2.789 1.00 0.00 C ATOM 220 O LYS A 15 -1.124 5.010 -3.974 1.00 0.00 O ATOM 221 CB LYS A 15 1.420 5.693 -2.888 1.00 0.00 C ATOM 222 CG LYS A 15 1.125 6.984 -3.630 1.00 0.00 C ATOM 223 CD LYS A 15 0.904 6.736 -5.113 1.00 0.00 C ATOM 224 CE LYS A 15 2.116 7.147 -5.934 1.00 0.00 C ATOM 225 NZ LYS A 15 3.302 6.299 -5.635 1.00 0.00 N ATOM 0 H LYS A 15 0.824 3.212 -2.342 1.00 0.00 H new ATOM 0 HA LYS A 15 0.195 5.823 -1.124 1.00 0.00 H new ATOM 0 HB2 LYS A 15 2.297 5.839 -2.257 1.00 0.00 H new ATOM 0 HB3 LYS A 15 1.673 4.918 -3.611 1.00 0.00 H new ATOM 0 HG2 LYS A 15 0.240 7.456 -3.203 1.00 0.00 H new ATOM 0 HG3 LYS A 15 1.953 7.679 -3.496 1.00 0.00 H new ATOM 0 HD2 LYS A 15 0.692 5.680 -5.279 1.00 0.00 H new ATOM 0 HD3 LYS A 15 0.030 7.293 -5.450 1.00 0.00 H new ATOM 0 HE2 LYS A 15 1.877 7.076 -6.995 1.00 0.00 H new ATOM 0 HE3 LYS A 15 2.355 8.191 -5.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 4.107 6.611 -6.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 3.546 6.386 -4.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 3.083 5.306 -5.853 1.00 0.00 H new ATOM 239 N TYR A 16 -2.089 5.813 -2.108 1.00 0.00 N ATOM 240 CA TYR A 16 -3.398 5.984 -2.727 1.00 0.00 C ATOM 241 C TYR A 16 -3.970 7.364 -2.416 1.00 0.00 C ATOM 242 O TYR A 16 -3.368 8.150 -1.684 1.00 0.00 O ATOM 243 CB TYR A 16 -4.361 4.900 -2.242 1.00 0.00 C ATOM 244 CG TYR A 16 -4.824 5.093 -0.815 1.00 0.00 C ATOM 245 CD1 TYR A 16 -4.047 4.664 0.253 1.00 0.00 C ATOM 246 CD2 TYR A 16 -6.039 5.708 -0.537 1.00 0.00 C ATOM 247 CE1 TYR A 16 -4.466 4.839 1.557 1.00 0.00 C ATOM 248 CE2 TYR A 16 -6.465 5.888 0.765 1.00 0.00 C ATOM 249 CZ TYR A 16 -5.676 5.452 1.808 1.00 0.00 C ATOM 250 OH TYR A 16 -6.096 5.629 3.107 1.00 0.00 O ATOM 0 H TYR A 16 -2.047 6.089 -1.127 1.00 0.00 H new ATOM 0 HA TYR A 16 -3.276 5.895 -3.806 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -5.232 4.880 -2.898 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -3.874 3.929 -2.329 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -3.098 4.185 0.060 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -6.660 6.051 -1.352 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -3.850 4.498 2.376 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -7.412 6.368 0.965 1.00 0.00 H new ATOM 0 HH TYR A 16 -6.968 6.077 3.111 1.00 0.00 H new ATOM 260 N LYS A 17 -5.140 7.652 -2.977 1.00 0.00 N ATOM 261 CA LYS A 17 -5.797 8.935 -2.761 1.00 0.00 C ATOM 262 C LYS A 17 -7.018 8.776 -1.860 1.00 0.00 C ATOM 263 O LYS A 17 -7.840 7.883 -2.064 1.00 0.00 O ATOM 264 CB LYS A 17 -6.215 9.550 -4.100 1.00 0.00 C ATOM 265 CG LYS A 17 -6.873 10.912 -3.963 1.00 0.00 C ATOM 266 CD LYS A 17 -7.908 11.142 -5.053 1.00 0.00 C ATOM 267 CE LYS A 17 -7.264 11.649 -6.335 1.00 0.00 C ATOM 268 NZ LYS A 17 -7.882 11.039 -7.544 1.00 0.00 N ATOM 0 H LYS A 17 -5.653 7.013 -3.585 1.00 0.00 H new ATOM 0 HA LYS A 17 -5.087 9.600 -2.269 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -5.336 9.643 -4.738 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -6.904 8.872 -4.603 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -7.349 10.991 -2.985 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -6.113 11.691 -4.011 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -8.439 10.212 -5.254 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -8.649 11.863 -4.707 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -7.360 12.734 -6.386 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -6.198 11.424 -6.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -7.416 11.410 -8.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -7.768 10.006 -7.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -8.895 11.275 -7.573 1.00 0.00 H new ATOM 282 N ASN A 18 -7.130 9.648 -0.864 1.00 0.00 N ATOM 283 CA ASN A 18 -8.252 9.605 0.068 1.00 0.00 C ATOM 284 C ASN A 18 -8.905 10.977 0.198 1.00 0.00 C ATOM 285 O ASN A 18 -8.320 11.992 -0.182 1.00 0.00 O ATOM 286 CB ASN A 18 -7.782 9.118 1.441 1.00 0.00 C ATOM 287 CG ASN A 18 -7.219 10.239 2.291 1.00 0.00 C ATOM 288 OD1 ASN A 18 -7.771 10.577 3.338 1.00 0.00 O ATOM 289 ND2 ASN A 18 -6.115 10.824 1.842 1.00 0.00 N ATOM 0 H ASN A 18 -6.458 10.393 -0.681 1.00 0.00 H new ATOM 0 HA ASN A 18 -8.992 8.907 -0.324 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -8.618 8.654 1.964 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -7.021 8.348 1.310 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -5.691 11.586 2.371 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -5.691 10.511 0.969 1.00 0.00 H new ATOM 296 N ASP A 19 -10.118 10.999 0.739 1.00 0.00 N ATOM 297 CA ASP A 19 -10.849 12.248 0.923 1.00 0.00 C ATOM 298 C ASP A 19 -11.323 12.801 -0.418 1.00 0.00 C ATOM 299 O ASP A 19 -12.514 12.768 -0.728 1.00 0.00 O ATOM 300 CB ASP A 19 -9.972 13.279 1.632 1.00 0.00 C ATOM 301 CG ASP A 19 -10.785 14.379 2.287 1.00 0.00 C ATOM 302 OD1 ASP A 19 -11.475 15.121 1.557 1.00 0.00 O ATOM 303 OD2 ASP A 19 -10.732 14.496 3.529 1.00 0.00 O ATOM 0 H ASP A 19 -10.616 10.168 1.058 1.00 0.00 H new ATOM 0 HA ASP A 19 -11.723 12.041 1.541 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -9.367 12.779 2.388 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -9.282 13.720 0.913 1.00 0.00 H new ATOM 308 N ALA A 20 -10.384 13.310 -1.208 1.00 0.00 N ATOM 309 CA ALA A 20 -10.706 13.869 -2.515 1.00 0.00 C ATOM 310 C ALA A 20 -9.457 14.414 -3.201 1.00 0.00 C ATOM 311 O ALA A 20 -9.497 15.467 -3.837 1.00 0.00 O ATOM 312 CB ALA A 20 -11.755 14.962 -2.378 1.00 0.00 C ATOM 0 H ALA A 20 -9.394 13.347 -0.966 1.00 0.00 H new ATOM 0 HA ALA A 20 -11.110 13.069 -3.136 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -11.986 15.370 -3.362 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -12.660 14.544 -1.937 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -11.372 15.756 -1.737 1.00 0.00 H new ATOM 318 N GLY A 21 -8.350 13.692 -3.067 1.00 0.00 N ATOM 319 CA GLY A 21 -7.105 14.120 -3.677 1.00 0.00 C ATOM 320 C GLY A 21 -5.947 14.116 -2.700 1.00 0.00 C ATOM 321 O GLY A 21 -4.815 14.434 -3.065 1.00 0.00 O ATOM 0 H GLY A 21 -8.293 12.817 -2.546 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -6.871 13.464 -4.515 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -7.230 15.124 -4.083 1.00 0.00 H new ATOM 325 N LYS A 22 -6.230 13.758 -1.452 1.00 0.00 N ATOM 326 CA LYS A 22 -5.205 13.715 -0.417 1.00 0.00 C ATOM 327 C LYS A 22 -4.383 12.433 -0.518 1.00 0.00 C ATOM 328 O LYS A 22 -4.936 11.335 -0.589 1.00 0.00 O ATOM 329 CB LYS A 22 -5.845 13.815 0.970 1.00 0.00 C ATOM 330 CG LYS A 22 -6.286 15.222 1.335 1.00 0.00 C ATOM 331 CD LYS A 22 -6.009 15.530 2.797 1.00 0.00 C ATOM 332 CE LYS A 22 -4.607 16.087 2.993 1.00 0.00 C ATOM 333 NZ LYS A 22 -4.631 17.526 3.379 1.00 0.00 N ATOM 0 H LYS A 22 -7.162 13.493 -1.133 1.00 0.00 H new ATOM 0 HA LYS A 22 -4.540 14.566 -0.565 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -6.708 13.150 1.012 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -5.133 13.461 1.716 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -5.765 15.943 0.705 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -7.351 15.334 1.134 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -6.742 16.249 3.164 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -6.128 14.623 3.390 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -4.092 15.513 3.763 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -4.037 15.967 2.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -3.657 17.868 3.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -5.099 18.078 2.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -5.153 17.637 4.271 1.00 0.00 H new ATOM 347 N ASP A 23 -3.063 12.581 -0.522 1.00 0.00 N ATOM 348 CA ASP A 23 -2.166 11.434 -0.612 1.00 0.00 C ATOM 349 C ASP A 23 -2.084 10.703 0.725 1.00 0.00 C ATOM 350 O ASP A 23 -2.132 11.322 1.788 1.00 0.00 O ATOM 351 CB ASP A 23 -0.771 11.884 -1.047 1.00 0.00 C ATOM 352 CG ASP A 23 -0.138 12.847 -0.062 1.00 0.00 C ATOM 353 OD1 ASP A 23 0.111 12.436 1.091 1.00 0.00 O ATOM 354 OD2 ASP A 23 0.105 14.011 -0.442 1.00 0.00 O ATOM 0 H ASP A 23 -2.590 13.483 -0.464 1.00 0.00 H new ATOM 0 HA ASP A 23 -2.567 10.747 -1.358 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -0.129 11.010 -1.159 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -0.835 12.360 -2.025 1.00 0.00 H new ATOM 359 N THR A 24 -1.961 9.381 0.663 1.00 0.00 N ATOM 360 CA THR A 24 -1.874 8.564 1.868 1.00 0.00 C ATOM 361 C THR A 24 -0.797 7.494 1.730 1.00 0.00 C ATOM 362 O THR A 24 -0.763 6.755 0.746 1.00 0.00 O ATOM 363 CB THR A 24 -3.219 7.884 2.183 1.00 0.00 C ATOM 364 OG1 THR A 24 -4.244 8.873 2.339 1.00 0.00 O ATOM 365 CG2 THR A 24 -3.119 7.047 3.448 1.00 0.00 C ATOM 0 H THR A 24 -1.919 8.853 -0.209 1.00 0.00 H new ATOM 0 HA THR A 24 -1.613 9.235 2.687 1.00 0.00 H new ATOM 0 HB THR A 24 -3.472 7.227 1.351 1.00 0.00 H new ATOM 0 HG1 THR A 24 -5.096 8.432 2.538 1.00 0.00 H new ATOM 0 HG21 THR A 24 -4.081 6.577 3.650 1.00 0.00 H new ATOM 0 HG22 THR A 24 -2.359 6.277 3.316 1.00 0.00 H new ATOM 0 HG23 THR A 24 -2.845 7.687 4.287 1.00 0.00 H new ATOM 373 N PHE A 25 0.082 7.416 2.724 1.00 0.00 N ATOM 374 CA PHE A 25 1.161 6.435 2.714 1.00 0.00 C ATOM 375 C PHE A 25 1.238 5.698 4.047 1.00 0.00 C ATOM 376 O PHE A 25 1.381 6.316 5.103 1.00 0.00 O ATOM 377 CB PHE A 25 2.498 7.120 2.418 1.00 0.00 C ATOM 378 CG PHE A 25 2.485 7.943 1.163 1.00 0.00 C ATOM 379 CD1 PHE A 25 1.973 9.231 1.168 1.00 0.00 C ATOM 380 CD2 PHE A 25 2.986 7.429 -0.023 1.00 0.00 C ATOM 381 CE1 PHE A 25 1.960 9.990 0.013 1.00 0.00 C ATOM 382 CE2 PHE A 25 2.976 8.184 -1.181 1.00 0.00 C ATOM 383 CZ PHE A 25 2.463 9.467 -1.162 1.00 0.00 C ATOM 0 H PHE A 25 0.068 8.020 3.546 1.00 0.00 H new ATOM 0 HA PHE A 25 0.951 5.708 1.929 1.00 0.00 H new ATOM 0 HB2 PHE A 25 2.763 7.760 3.260 1.00 0.00 H new ATOM 0 HB3 PHE A 25 3.276 6.361 2.337 1.00 0.00 H new ATOM 0 HD1 PHE A 25 1.580 9.646 2.084 1.00 0.00 H new ATOM 0 HD2 PHE A 25 3.389 6.427 -0.043 1.00 0.00 H new ATOM 0 HE1 PHE A 25 1.557 10.992 0.029 1.00 0.00 H new ATOM 0 HE2 PHE A 25 3.368 7.772 -2.099 1.00 0.00 H new ATOM 0 HZ PHE A 25 2.455 10.060 -2.065 1.00 0.00 H new ATOM 393 N ILE A 26 1.144 4.374 3.990 1.00 0.00 N ATOM 394 CA ILE A 26 1.202 3.551 5.192 1.00 0.00 C ATOM 395 C ILE A 26 1.867 2.208 4.907 1.00 0.00 C ATOM 396 O ILE A 26 1.378 1.421 4.096 1.00 0.00 O ATOM 397 CB ILE A 26 -0.201 3.304 5.775 1.00 0.00 C ATOM 398 CG1 ILE A 26 -0.119 2.369 6.983 1.00 0.00 C ATOM 399 CG2 ILE A 26 -1.121 2.723 4.712 1.00 0.00 C ATOM 400 CD1 ILE A 26 -1.138 2.678 8.057 1.00 0.00 C ATOM 0 H ILE A 26 1.027 3.848 3.124 1.00 0.00 H new ATOM 0 HA ILE A 26 1.797 4.101 5.922 1.00 0.00 H new ATOM 0 HB ILE A 26 -0.614 4.258 6.105 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.258 1.341 6.647 1.00 0.00 H new ATOM 0 HG13 ILE A 26 0.881 2.431 7.413 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -2.109 2.554 5.139 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.201 3.421 3.879 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.713 1.777 4.355 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -1.021 1.976 8.882 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.986 3.694 8.421 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -2.142 2.587 7.643 1.00 0.00 H new ATOM 412 N LYS A 27 2.982 1.951 5.581 1.00 0.00 N ATOM 413 CA LYS A 27 3.712 0.701 5.404 1.00 0.00 C ATOM 414 C LYS A 27 2.816 -0.498 5.691 1.00 0.00 C ATOM 415 O LYS A 27 2.236 -0.609 6.773 1.00 0.00 O ATOM 416 CB LYS A 27 4.936 0.668 6.324 1.00 0.00 C ATOM 417 CG LYS A 27 6.258 0.666 5.576 1.00 0.00 C ATOM 418 CD LYS A 27 6.995 -0.652 5.750 1.00 0.00 C ATOM 419 CE LYS A 27 8.019 -0.574 6.871 1.00 0.00 C ATOM 420 NZ LYS A 27 7.544 -1.257 8.106 1.00 0.00 N ATOM 0 H LYS A 27 3.401 2.592 6.255 1.00 0.00 H new ATOM 0 HA LYS A 27 4.042 0.645 4.367 1.00 0.00 H new ATOM 0 HB2 LYS A 27 4.905 1.532 6.988 1.00 0.00 H new ATOM 0 HB3 LYS A 27 4.883 -0.220 6.954 1.00 0.00 H new ATOM 0 HG2 LYS A 27 6.078 0.846 4.516 1.00 0.00 H new ATOM 0 HG3 LYS A 27 6.882 1.483 5.937 1.00 0.00 H new ATOM 0 HD2 LYS A 27 6.279 -1.445 5.965 1.00 0.00 H new ATOM 0 HD3 LYS A 27 7.494 -0.917 4.818 1.00 0.00 H new ATOM 0 HE2 LYS A 27 8.953 -1.028 6.541 1.00 0.00 H new ATOM 0 HE3 LYS A 27 8.234 0.471 7.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 8.271 -1.181 8.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 6.666 -0.807 8.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 7.363 -2.260 7.900 1.00 0.00 H new ATOM 434 N CYS A 28 2.705 -1.395 4.717 1.00 0.00 N ATOM 435 CA CYS A 28 1.880 -2.588 4.865 1.00 0.00 C ATOM 436 C CYS A 28 2.570 -3.621 5.749 1.00 0.00 C ATOM 437 O CYS A 28 3.796 -3.662 5.857 1.00 0.00 O ATOM 438 CB CYS A 28 1.572 -3.194 3.495 1.00 0.00 C ATOM 439 SG CYS A 28 1.110 -1.979 2.237 1.00 0.00 S ATOM 0 H CYS A 28 3.177 -1.318 3.816 1.00 0.00 H new ATOM 0 HA CYS A 28 0.945 -2.296 5.343 1.00 0.00 H new ATOM 0 HB2 CYS A 28 2.446 -3.745 3.149 1.00 0.00 H new ATOM 0 HB3 CYS A 28 0.762 -3.916 3.603 1.00 0.00 H new ATOM 0 HG CYS A 28 1.160 -2.531 1.061 1.00 0.00 H new ATOM 445 N PRO A 29 1.768 -4.478 6.397 1.00 0.00 N ATOM 446 CA PRO A 29 2.280 -5.527 7.283 1.00 0.00 C ATOM 447 C PRO A 29 3.002 -6.631 6.519 1.00 0.00 C ATOM 448 O PRO A 29 2.376 -7.565 6.017 1.00 0.00 O ATOM 449 CB PRO A 29 1.015 -6.077 7.949 1.00 0.00 C ATOM 450 CG PRO A 29 -0.081 -5.780 6.984 1.00 0.00 C ATOM 451 CD PRO A 29 0.297 -4.488 6.313 1.00 0.00 C ATOM 0 HA PRO A 29 3.017 -5.141 7.988 1.00 0.00 H new ATOM 0 HB2 PRO A 29 1.099 -7.148 8.135 1.00 0.00 H new ATOM 0 HB3 PRO A 29 0.835 -5.599 8.912 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -0.186 -6.583 6.254 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -1.038 -5.688 7.497 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -0.047 -4.456 5.279 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -0.140 -3.628 6.821 1.00 0.00 H new ATOM 459 N LYS A 30 4.323 -6.518 6.433 1.00 0.00 N ATOM 460 CA LYS A 30 5.132 -7.507 5.731 1.00 0.00 C ATOM 461 C LYS A 30 6.541 -7.569 6.313 1.00 0.00 C ATOM 462 O LYS A 30 7.517 -7.245 5.636 1.00 0.00 O ATOM 463 CB LYS A 30 5.199 -7.174 4.238 1.00 0.00 C ATOM 464 CG LYS A 30 3.939 -7.542 3.476 1.00 0.00 C ATOM 465 CD LYS A 30 3.671 -9.037 3.528 1.00 0.00 C ATOM 466 CE LYS A 30 2.529 -9.430 2.605 1.00 0.00 C ATOM 467 NZ LYS A 30 1.224 -9.469 3.323 1.00 0.00 N ATOM 0 H LYS A 30 4.857 -5.750 6.841 1.00 0.00 H new ATOM 0 HA LYS A 30 4.662 -8.482 5.859 1.00 0.00 H new ATOM 0 HB2 LYS A 30 5.386 -6.107 4.120 1.00 0.00 H new ATOM 0 HB3 LYS A 30 6.047 -7.697 3.795 1.00 0.00 H new ATOM 0 HG2 LYS A 30 3.089 -7.004 3.896 1.00 0.00 H new ATOM 0 HG3 LYS A 30 4.035 -7.225 2.438 1.00 0.00 H new ATOM 0 HD2 LYS A 30 4.573 -9.580 3.244 1.00 0.00 H new ATOM 0 HD3 LYS A 30 3.431 -9.330 4.550 1.00 0.00 H new ATOM 0 HE2 LYS A 30 2.468 -8.721 1.780 1.00 0.00 H new ATOM 0 HE3 LYS A 30 2.734 -10.408 2.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 0.576 -10.115 2.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 1.373 -9.804 4.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 0.811 -8.515 3.345 1.00 0.00 H new ATOM 481 N PHE A 31 6.639 -7.987 7.571 1.00 0.00 N ATOM 482 CA PHE A 31 7.929 -8.093 8.242 1.00 0.00 C ATOM 483 C PHE A 31 8.531 -9.482 8.050 1.00 0.00 C ATOM 484 O PHE A 31 8.124 -10.442 8.706 1.00 0.00 O ATOM 485 CB PHE A 31 7.776 -7.793 9.735 1.00 0.00 C ATOM 486 CG PHE A 31 6.944 -6.575 10.020 1.00 0.00 C ATOM 487 CD1 PHE A 31 7.487 -5.306 9.906 1.00 0.00 C ATOM 488 CD2 PHE A 31 5.617 -6.701 10.401 1.00 0.00 C ATOM 489 CE1 PHE A 31 6.724 -4.183 10.167 1.00 0.00 C ATOM 490 CE2 PHE A 31 4.849 -5.582 10.662 1.00 0.00 C ATOM 491 CZ PHE A 31 5.404 -4.322 10.546 1.00 0.00 C ATOM 0 H PHE A 31 5.841 -8.258 8.146 1.00 0.00 H new ATOM 0 HA PHE A 31 8.603 -7.361 7.797 1.00 0.00 H new ATOM 0 HB2 PHE A 31 7.324 -8.655 10.226 1.00 0.00 H new ATOM 0 HB3 PHE A 31 8.765 -7.658 10.174 1.00 0.00 H new ATOM 0 HD1 PHE A 31 8.519 -5.192 9.610 1.00 0.00 H new ATOM 0 HD2 PHE A 31 5.179 -7.684 10.495 1.00 0.00 H new ATOM 0 HE1 PHE A 31 7.160 -3.199 10.075 1.00 0.00 H new ATOM 0 HE2 PHE A 31 3.816 -5.692 10.956 1.00 0.00 H new ATOM 0 HZ PHE A 31 4.806 -3.447 10.752 1.00 0.00 H new ATOM 501 N ASP A 32 9.500 -9.581 7.148 1.00 0.00 N ATOM 502 CA ASP A 32 10.159 -10.851 6.869 1.00 0.00 C ATOM 503 C ASP A 32 9.134 -11.941 6.573 1.00 0.00 C ATOM 504 O ASP A 32 8.869 -12.802 7.411 1.00 0.00 O ATOM 505 CB ASP A 32 11.036 -11.266 8.052 1.00 0.00 C ATOM 506 CG ASP A 32 11.983 -10.164 8.484 1.00 0.00 C ATOM 507 OD1 ASP A 32 12.955 -9.896 7.748 1.00 0.00 O ATOM 508 OD2 ASP A 32 11.753 -9.572 9.560 1.00 0.00 O ATOM 0 H ASP A 32 9.847 -8.796 6.597 1.00 0.00 H new ATOM 0 HA ASP A 32 10.788 -10.720 5.989 1.00 0.00 H new ATOM 0 HB2 ASP A 32 10.400 -11.545 8.892 1.00 0.00 H new ATOM 0 HB3 ASP A 32 11.612 -12.151 7.781 1.00 0.00 H new ATOM 513 N ASN A 33 8.559 -11.896 5.375 1.00 0.00 N ATOM 514 CA ASN A 33 7.562 -12.880 4.969 1.00 0.00 C ATOM 515 C ASN A 33 7.166 -12.682 3.509 1.00 0.00 C ATOM 516 O ASN A 33 6.926 -13.646 2.783 1.00 0.00 O ATOM 517 CB ASN A 33 6.324 -12.780 5.863 1.00 0.00 C ATOM 518 CG ASN A 33 5.355 -13.926 5.639 1.00 0.00 C ATOM 519 OD1 ASN A 33 5.098 -14.323 4.502 1.00 0.00 O ATOM 520 ND2 ASN A 33 4.812 -14.462 6.725 1.00 0.00 N ATOM 0 H ASN A 33 8.766 -11.189 4.669 1.00 0.00 H new ATOM 0 HA ASN A 33 8.001 -13.872 5.077 1.00 0.00 H new ATOM 0 HB2 ASN A 33 6.634 -12.769 6.908 1.00 0.00 H new ATOM 0 HB3 ASN A 33 5.816 -11.835 5.671 1.00 0.00 H new ATOM 0 HD21 ASN A 33 4.153 -15.235 6.637 1.00 0.00 H new ATOM 0 HD22 ASN A 33 5.054 -14.101 7.648 1.00 0.00 H new ATOM 527 N LYS A 34 7.101 -11.424 3.084 1.00 0.00 N ATOM 528 CA LYS A 34 6.736 -11.098 1.711 1.00 0.00 C ATOM 529 C LYS A 34 6.827 -9.595 1.466 1.00 0.00 C ATOM 530 O LYS A 34 5.821 -8.935 1.205 1.00 0.00 O ATOM 531 CB LYS A 34 5.319 -11.589 1.406 1.00 0.00 C ATOM 532 CG LYS A 34 5.106 -11.967 -0.049 1.00 0.00 C ATOM 533 CD LYS A 34 5.323 -10.779 -0.970 1.00 0.00 C ATOM 534 CE LYS A 34 5.075 -11.148 -2.425 1.00 0.00 C ATOM 535 NZ LYS A 34 6.161 -10.656 -3.316 1.00 0.00 N ATOM 0 H LYS A 34 7.297 -10.614 3.672 1.00 0.00 H new ATOM 0 HA LYS A 34 7.439 -11.601 1.047 1.00 0.00 H new ATOM 0 HB2 LYS A 34 5.100 -12.453 2.033 1.00 0.00 H new ATOM 0 HB3 LYS A 34 4.607 -10.810 1.678 1.00 0.00 H new ATOM 0 HG2 LYS A 34 5.791 -12.770 -0.321 1.00 0.00 H new ATOM 0 HG3 LYS A 34 4.095 -12.352 -0.182 1.00 0.00 H new ATOM 0 HD2 LYS A 34 4.656 -9.967 -0.681 1.00 0.00 H new ATOM 0 HD3 LYS A 34 6.342 -10.410 -0.856 1.00 0.00 H new ATOM 0 HE2 LYS A 34 4.994 -12.231 -2.516 1.00 0.00 H new ATOM 0 HE3 LYS A 34 4.122 -10.729 -2.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 5.954 -10.928 -4.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 6.222 -9.620 -3.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 7.067 -11.076 -3.024 1.00 0.00 H new ATOM 549 N LYS A 35 8.040 -9.059 1.551 1.00 0.00 N ATOM 550 CA LYS A 35 8.264 -7.634 1.337 1.00 0.00 C ATOM 551 C LYS A 35 8.291 -7.306 -0.153 1.00 0.00 C ATOM 552 O LYS A 35 8.310 -8.203 -0.995 1.00 0.00 O ATOM 553 CB LYS A 35 9.577 -7.200 1.990 1.00 0.00 C ATOM 554 CG LYS A 35 9.731 -7.676 3.425 1.00 0.00 C ATOM 555 CD LYS A 35 10.329 -6.595 4.310 1.00 0.00 C ATOM 556 CE LYS A 35 11.405 -7.157 5.226 1.00 0.00 C ATOM 557 NZ LYS A 35 12.774 -6.857 4.723 1.00 0.00 N ATOM 0 H LYS A 35 8.884 -9.590 1.767 1.00 0.00 H new ATOM 0 HA LYS A 35 7.440 -7.088 1.796 1.00 0.00 H new ATOM 0 HB2 LYS A 35 10.410 -7.580 1.399 1.00 0.00 H new ATOM 0 HB3 LYS A 35 9.641 -6.112 1.968 1.00 0.00 H new ATOM 0 HG2 LYS A 35 8.758 -7.972 3.818 1.00 0.00 H new ATOM 0 HG3 LYS A 35 10.367 -8.561 3.450 1.00 0.00 H new ATOM 0 HD2 LYS A 35 10.754 -5.808 3.688 1.00 0.00 H new ATOM 0 HD3 LYS A 35 9.542 -6.137 4.909 1.00 0.00 H new ATOM 0 HE2 LYS A 35 11.286 -6.739 6.226 1.00 0.00 H new ATOM 0 HE3 LYS A 35 11.279 -8.236 5.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 13.479 -7.257 5.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 12.897 -7.277 3.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 12.904 -5.827 4.662 1.00 0.00 H new ATOM 571 N CYS A 36 8.294 -6.015 -0.468 1.00 0.00 N ATOM 572 CA CYS A 36 8.320 -5.570 -1.857 1.00 0.00 C ATOM 573 C CYS A 36 9.690 -5.814 -2.482 1.00 0.00 C ATOM 574 O CYS A 36 10.704 -5.862 -1.784 1.00 0.00 O ATOM 575 CB CYS A 36 7.966 -4.084 -1.944 1.00 0.00 C ATOM 576 SG CYS A 36 7.552 -3.521 -3.611 1.00 0.00 S ATOM 0 H CYS A 36 8.279 -5.260 0.218 1.00 0.00 H new ATOM 0 HA CYS A 36 7.580 -6.147 -2.411 1.00 0.00 H new ATOM 0 HB2 CYS A 36 7.122 -3.883 -1.284 1.00 0.00 H new ATOM 0 HB3 CYS A 36 8.807 -3.499 -1.573 1.00 0.00 H new ATOM 0 HG CYS A 36 6.268 -3.608 -3.792 1.00 0.00 H new ATOM 582 N THR A 37 9.714 -5.971 -3.801 1.00 0.00 N ATOM 583 CA THR A 37 10.958 -6.214 -4.520 1.00 0.00 C ATOM 584 C THR A 37 10.858 -5.744 -5.967 1.00 0.00 C ATOM 585 O THR A 37 11.332 -6.416 -6.883 1.00 0.00 O ATOM 586 CB THR A 37 11.334 -7.708 -4.502 1.00 0.00 C ATOM 587 OG1 THR A 37 10.175 -8.508 -4.766 1.00 0.00 O ATOM 588 CG2 THR A 37 11.933 -8.099 -3.160 1.00 0.00 C ATOM 0 H THR A 37 8.885 -5.934 -4.394 1.00 0.00 H new ATOM 0 HA THR A 37 11.735 -5.645 -4.009 1.00 0.00 H new ATOM 0 HB THR A 37 12.079 -7.882 -5.278 1.00 0.00 H new ATOM 0 HG1 THR A 37 10.422 -9.456 -4.755 1.00 0.00 H new ATOM 0 HG21 THR A 37 12.191 -9.158 -3.171 1.00 0.00 H new ATOM 0 HG22 THR A 37 12.831 -7.509 -2.977 1.00 0.00 H new ATOM 0 HG23 THR A 37 11.207 -7.910 -2.369 1.00 0.00 H new ATOM 596 N LYS A 38 10.238 -4.586 -6.167 1.00 0.00 N ATOM 597 CA LYS A 38 10.078 -4.024 -7.502 1.00 0.00 C ATOM 598 C LYS A 38 9.332 -2.694 -7.446 1.00 0.00 C ATOM 599 O LYS A 38 8.193 -2.629 -6.985 1.00 0.00 O ATOM 600 CB LYS A 38 9.324 -5.005 -8.403 1.00 0.00 C ATOM 601 CG LYS A 38 8.869 -4.396 -9.718 1.00 0.00 C ATOM 602 CD LYS A 38 8.755 -5.448 -10.810 1.00 0.00 C ATOM 603 CE LYS A 38 7.958 -4.933 -11.999 1.00 0.00 C ATOM 604 NZ LYS A 38 6.527 -4.709 -11.651 1.00 0.00 N ATOM 0 H LYS A 38 9.838 -4.018 -5.420 1.00 0.00 H new ATOM 0 HA LYS A 38 11.071 -3.848 -7.917 1.00 0.00 H new ATOM 0 HB2 LYS A 38 9.966 -5.861 -8.611 1.00 0.00 H new ATOM 0 HB3 LYS A 38 8.454 -5.383 -7.867 1.00 0.00 H new ATOM 0 HG2 LYS A 38 7.904 -3.908 -9.580 1.00 0.00 H new ATOM 0 HG3 LYS A 38 9.575 -3.625 -10.027 1.00 0.00 H new ATOM 0 HD2 LYS A 38 9.752 -5.742 -11.139 1.00 0.00 H new ATOM 0 HD3 LYS A 38 8.275 -6.341 -10.408 1.00 0.00 H new ATOM 0 HE2 LYS A 38 8.396 -4.000 -12.353 1.00 0.00 H new ATOM 0 HE3 LYS A 38 8.025 -5.648 -12.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 5.955 -4.709 -12.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 6.200 -5.469 -11.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 6.426 -3.793 -11.170 1.00 0.00 H new ATOM 618 N ASP A 39 9.983 -1.637 -7.920 1.00 0.00 N ATOM 619 CA ASP A 39 9.381 -0.309 -7.927 1.00 0.00 C ATOM 620 C ASP A 39 7.986 -0.348 -8.545 1.00 0.00 C ATOM 621 O ASP A 39 7.809 -0.802 -9.674 1.00 0.00 O ATOM 622 CB ASP A 39 10.266 0.672 -8.697 1.00 0.00 C ATOM 623 CG ASP A 39 10.193 0.464 -10.197 1.00 0.00 C ATOM 624 OD1 ASP A 39 10.531 -0.646 -10.660 1.00 0.00 O ATOM 625 OD2 ASP A 39 9.795 1.410 -10.908 1.00 0.00 O ATOM 0 H ASP A 39 10.927 -1.674 -8.304 1.00 0.00 H new ATOM 0 HA ASP A 39 9.292 0.028 -6.894 1.00 0.00 H new ATOM 0 HB2 ASP A 39 9.964 1.692 -8.460 1.00 0.00 H new ATOM 0 HB3 ASP A 39 11.299 0.560 -8.368 1.00 0.00 H new ATOM 630 N ASN A 40 6.999 0.133 -7.796 1.00 0.00 N ATOM 631 CA ASN A 40 5.619 0.152 -8.269 1.00 0.00 C ATOM 632 C ASN A 40 5.130 -1.261 -8.574 1.00 0.00 C ATOM 633 O ASN A 40 4.878 -1.606 -9.728 1.00 0.00 O ATOM 634 CB ASN A 40 5.499 1.026 -9.518 1.00 0.00 C ATOM 635 CG ASN A 40 5.190 2.472 -9.185 1.00 0.00 C ATOM 636 OD1 ASN A 40 4.252 3.059 -9.725 1.00 0.00 O ATOM 637 ND2 ASN A 40 5.980 3.055 -8.290 1.00 0.00 N ATOM 0 H ASN A 40 7.129 0.515 -6.859 1.00 0.00 H new ATOM 0 HA ASN A 40 4.995 0.571 -7.479 1.00 0.00 H new ATOM 0 HB2 ASN A 40 6.430 0.977 -10.083 1.00 0.00 H new ATOM 0 HB3 ASN A 40 4.714 0.629 -10.162 1.00 0.00 H new ATOM 0 HD21 ASN A 40 5.821 4.027 -8.025 1.00 0.00 H new ATOM 0 HD22 ASN A 40 6.746 2.531 -7.867 1.00 0.00 H new ATOM 644 N ASN A 41 4.997 -2.074 -7.531 1.00 0.00 N ATOM 645 CA ASN A 41 4.536 -3.448 -7.686 1.00 0.00 C ATOM 646 C ASN A 41 3.012 -3.512 -7.714 1.00 0.00 C ATOM 647 O ASN A 41 2.404 -3.637 -8.777 1.00 0.00 O ATOM 648 CB ASN A 41 5.074 -4.320 -6.550 1.00 0.00 C ATOM 649 CG ASN A 41 6.096 -5.332 -7.031 1.00 0.00 C ATOM 650 OD1 ASN A 41 6.198 -5.607 -8.227 1.00 0.00 O ATOM 651 ND2 ASN A 41 6.858 -5.893 -6.100 1.00 0.00 N ATOM 0 H ASN A 41 5.202 -1.804 -6.569 1.00 0.00 H new ATOM 0 HA ASN A 41 4.914 -3.826 -8.636 1.00 0.00 H new ATOM 0 HB2 ASN A 41 5.527 -3.683 -5.790 1.00 0.00 H new ATOM 0 HB3 ASN A 41 4.245 -4.843 -6.074 1.00 0.00 H new ATOM 0 HD21 ASN A 41 7.562 -6.582 -6.364 1.00 0.00 H new ATOM 0 HD22 ASN A 41 6.739 -5.635 -5.120 1.00 0.00 H new ATOM 658 N LYS A 42 2.400 -3.425 -6.537 1.00 0.00 N ATOM 659 CA LYS A 42 0.947 -3.471 -6.425 1.00 0.00 C ATOM 660 C LYS A 42 0.510 -3.337 -4.970 1.00 0.00 C ATOM 661 O LYS A 42 1.115 -3.927 -4.073 1.00 0.00 O ATOM 662 CB LYS A 42 0.412 -4.780 -7.011 1.00 0.00 C ATOM 663 CG LYS A 42 -1.056 -5.025 -6.707 1.00 0.00 C ATOM 664 CD LYS A 42 -1.766 -5.682 -7.879 1.00 0.00 C ATOM 665 CE LYS A 42 -2.794 -6.699 -7.410 1.00 0.00 C ATOM 666 NZ LYS A 42 -2.703 -7.974 -8.174 1.00 0.00 N ATOM 0 H LYS A 42 2.888 -3.322 -5.647 1.00 0.00 H new ATOM 0 HA LYS A 42 0.536 -2.633 -6.988 1.00 0.00 H new ATOM 0 HB2 LYS A 42 0.554 -4.770 -8.092 1.00 0.00 H new ATOM 0 HB3 LYS A 42 0.999 -5.611 -6.620 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -1.145 -5.659 -5.825 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -1.542 -4.079 -6.470 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -2.257 -4.919 -8.482 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -1.034 -6.173 -8.520 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -2.647 -6.900 -6.349 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -3.795 -6.281 -7.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -3.420 -8.641 -7.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -2.868 -7.786 -9.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -1.757 -8.387 -8.049 1.00 0.00 H new ATOM 680 N CYS A 43 -0.543 -2.561 -4.742 1.00 0.00 N ATOM 681 CA CYS A 43 -1.062 -2.351 -3.395 1.00 0.00 C ATOM 682 C CYS A 43 -2.572 -2.141 -3.422 1.00 0.00 C ATOM 683 O CYS A 43 -3.140 -1.756 -4.444 1.00 0.00 O ATOM 684 CB CYS A 43 -0.378 -1.147 -2.746 1.00 0.00 C ATOM 685 SG CYS A 43 0.623 -1.559 -1.297 1.00 0.00 S ATOM 0 H CYS A 43 -1.055 -2.066 -5.473 1.00 0.00 H new ATOM 0 HA CYS A 43 -0.848 -3.242 -2.805 1.00 0.00 H new ATOM 0 HB2 CYS A 43 0.257 -0.661 -3.487 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -1.139 -0.424 -2.455 1.00 0.00 H new ATOM 0 HG CYS A 43 1.881 -1.380 -1.573 1.00 0.00 H new ATOM 691 N THR A 44 -3.219 -2.397 -2.288 1.00 0.00 N ATOM 692 CA THR A 44 -4.664 -2.239 -2.182 1.00 0.00 C ATOM 693 C THR A 44 -5.081 -1.952 -0.744 1.00 0.00 C ATOM 694 O THR A 44 -4.425 -2.390 0.203 1.00 0.00 O ATOM 695 CB THR A 44 -5.405 -3.496 -2.678 1.00 0.00 C ATOM 696 OG1 THR A 44 -4.463 -4.467 -3.146 1.00 0.00 O ATOM 697 CG2 THR A 44 -6.378 -3.145 -3.794 1.00 0.00 C ATOM 0 H THR A 44 -2.765 -2.714 -1.431 1.00 0.00 H new ATOM 0 HA THR A 44 -4.937 -1.393 -2.813 1.00 0.00 H new ATOM 0 HB THR A 44 -5.969 -3.912 -1.843 1.00 0.00 H new ATOM 0 HG1 THR A 44 -4.942 -5.263 -3.458 1.00 0.00 H new ATOM 0 HG21 THR A 44 -6.889 -4.048 -4.128 1.00 0.00 H new ATOM 0 HG22 THR A 44 -7.111 -2.428 -3.425 1.00 0.00 H new ATOM 0 HG23 THR A 44 -5.831 -2.708 -4.629 1.00 0.00 H new ATOM 705 N VAL A 45 -6.175 -1.215 -0.585 1.00 0.00 N ATOM 706 CA VAL A 45 -6.681 -0.871 0.738 1.00 0.00 C ATOM 707 C VAL A 45 -8.199 -0.737 0.729 1.00 0.00 C ATOM 708 O VAL A 45 -8.782 -0.222 -0.225 1.00 0.00 O ATOM 709 CB VAL A 45 -6.064 0.444 1.251 1.00 0.00 C ATOM 710 CG1 VAL A 45 -6.750 0.892 2.532 1.00 0.00 C ATOM 711 CG2 VAL A 45 -4.567 0.281 1.465 1.00 0.00 C ATOM 0 H VAL A 45 -6.729 -0.844 -1.357 1.00 0.00 H new ATOM 0 HA VAL A 45 -6.395 -1.683 1.406 1.00 0.00 H new ATOM 0 HB VAL A 45 -6.218 1.216 0.497 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -6.301 1.822 2.879 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -7.811 1.051 2.340 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -6.631 0.124 3.296 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.147 1.219 1.827 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -4.388 -0.504 2.199 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -4.092 0.011 0.522 1.00 0.00 H new ATOM 721 N ASP A 46 -8.836 -1.205 1.797 1.00 0.00 N ATOM 722 CA ASP A 46 -10.287 -1.137 1.914 1.00 0.00 C ATOM 723 C ASP A 46 -10.697 -0.367 3.166 1.00 0.00 C ATOM 724 O ASP A 46 -9.917 -0.234 4.110 1.00 0.00 O ATOM 725 CB ASP A 46 -10.885 -2.544 1.947 1.00 0.00 C ATOM 726 CG ASP A 46 -12.103 -2.678 1.055 1.00 0.00 C ATOM 727 OD1 ASP A 46 -13.142 -2.061 1.373 1.00 0.00 O ATOM 728 OD2 ASP A 46 -12.019 -3.399 0.039 1.00 0.00 O ATOM 0 H ASP A 46 -8.369 -1.636 2.595 1.00 0.00 H new ATOM 0 HA ASP A 46 -10.672 -0.608 1.042 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -10.129 -3.264 1.634 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -11.160 -2.795 2.972 1.00 0.00 H new ATOM 733 N THR A 47 -11.926 0.139 3.168 1.00 0.00 N ATOM 734 CA THR A 47 -12.438 0.897 4.302 1.00 0.00 C ATOM 735 C THR A 47 -13.252 0.008 5.236 1.00 0.00 C ATOM 736 O THR A 47 -13.651 0.432 6.321 1.00 0.00 O ATOM 737 CB THR A 47 -13.316 2.076 3.841 1.00 0.00 C ATOM 738 OG1 THR A 47 -14.265 1.627 2.866 1.00 0.00 O ATOM 739 CG2 THR A 47 -12.462 3.188 3.250 1.00 0.00 C ATOM 0 H THR A 47 -12.585 0.037 2.396 1.00 0.00 H new ATOM 0 HA THR A 47 -11.572 1.286 4.837 1.00 0.00 H new ATOM 0 HB THR A 47 -13.845 2.468 4.709 1.00 0.00 H new ATOM 0 HG1 THR A 47 -14.821 2.381 2.579 1.00 0.00 H new ATOM 0 HG21 THR A 47 -13.104 4.009 2.932 1.00 0.00 H new ATOM 0 HG22 THR A 47 -11.760 3.547 4.003 1.00 0.00 H new ATOM 0 HG23 THR A 47 -11.910 2.805 2.392 1.00 0.00 H new ATOM 747 N TYR A 48 -13.492 -1.227 4.808 1.00 0.00 N ATOM 748 CA TYR A 48 -14.260 -2.175 5.606 1.00 0.00 C ATOM 749 C TYR A 48 -13.703 -2.272 7.024 1.00 0.00 C ATOM 750 O TYR A 48 -14.434 -2.120 8.000 1.00 0.00 O ATOM 751 CB TYR A 48 -14.248 -3.556 4.946 1.00 0.00 C ATOM 752 CG TYR A 48 -14.837 -4.645 5.812 1.00 0.00 C ATOM 753 CD1 TYR A 48 -16.202 -4.692 6.072 1.00 0.00 C ATOM 754 CD2 TYR A 48 -14.030 -5.629 6.371 1.00 0.00 C ATOM 755 CE1 TYR A 48 -16.745 -5.685 6.863 1.00 0.00 C ATOM 756 CE2 TYR A 48 -14.566 -6.627 7.162 1.00 0.00 C ATOM 757 CZ TYR A 48 -15.923 -6.652 7.405 1.00 0.00 C ATOM 758 OH TYR A 48 -16.459 -7.644 8.194 1.00 0.00 O ATOM 0 H TYR A 48 -13.166 -1.594 3.914 1.00 0.00 H new ATOM 0 HA TYR A 48 -15.287 -1.815 5.663 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -14.804 -3.507 4.010 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -13.221 -3.820 4.693 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -16.849 -3.938 5.648 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -12.966 -5.613 6.184 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -17.807 -5.705 7.057 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -13.925 -7.384 7.588 1.00 0.00 H new ATOM 0 HH TYR A 48 -15.745 -8.244 8.495 1.00 0.00 H new ATOM 768 N ASN A 49 -12.403 -2.524 7.125 1.00 0.00 N ATOM 769 CA ASN A 49 -11.746 -2.641 8.422 1.00 0.00 C ATOM 770 C ASN A 49 -10.287 -2.202 8.335 1.00 0.00 C ATOM 771 O ASN A 49 -9.410 -2.806 8.950 1.00 0.00 O ATOM 772 CB ASN A 49 -11.827 -4.082 8.930 1.00 0.00 C ATOM 773 CG ASN A 49 -10.952 -5.028 8.130 1.00 0.00 C ATOM 774 OD1 ASN A 49 -10.565 -4.728 7.000 1.00 0.00 O ATOM 775 ND2 ASN A 49 -10.635 -6.177 8.715 1.00 0.00 N ATOM 0 H ASN A 49 -11.783 -2.651 6.325 1.00 0.00 H new ATOM 0 HA ASN A 49 -12.263 -1.986 9.123 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -11.527 -4.112 9.977 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -12.861 -4.423 8.885 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -10.048 -6.853 8.226 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -10.978 -6.383 9.653 1.00 0.00 H new ATOM 782 N ASN A 50 -10.038 -1.146 7.566 1.00 0.00 N ATOM 783 CA ASN A 50 -8.686 -0.626 7.399 1.00 0.00 C ATOM 784 C ASN A 50 -7.717 -1.741 7.016 1.00 0.00 C ATOM 785 O ASN A 50 -6.642 -1.871 7.600 1.00 0.00 O ATOM 786 CB ASN A 50 -8.215 0.054 8.686 1.00 0.00 C ATOM 787 CG ASN A 50 -7.372 1.285 8.414 1.00 0.00 C ATOM 788 OD1 ASN A 50 -7.558 2.329 9.040 1.00 0.00 O ATOM 789 ND2 ASN A 50 -6.438 1.167 7.477 1.00 0.00 N ATOM 0 H ASN A 50 -10.754 -0.635 7.050 1.00 0.00 H new ATOM 0 HA ASN A 50 -8.704 0.108 6.594 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -9.082 0.336 9.283 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -7.637 -0.655 9.278 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -5.839 1.961 7.251 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -6.319 0.282 6.984 1.00 0.00 H new ATOM 796 N ALA A 51 -8.107 -2.544 6.031 1.00 0.00 N ATOM 797 CA ALA A 51 -7.273 -3.646 5.568 1.00 0.00 C ATOM 798 C ALA A 51 -6.323 -3.191 4.465 1.00 0.00 C ATOM 799 O ALA A 51 -6.756 -2.801 3.381 1.00 0.00 O ATOM 800 CB ALA A 51 -8.141 -4.796 5.079 1.00 0.00 C ATOM 0 H ALA A 51 -8.995 -2.452 5.538 1.00 0.00 H new ATOM 0 HA ALA A 51 -6.672 -3.991 6.409 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -7.505 -5.612 4.736 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -8.773 -5.147 5.895 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -8.768 -4.454 4.255 1.00 0.00 H new ATOM 806 N VAL A 52 -5.026 -3.241 4.750 1.00 0.00 N ATOM 807 CA VAL A 52 -4.014 -2.833 3.782 1.00 0.00 C ATOM 808 C VAL A 52 -3.313 -4.045 3.177 1.00 0.00 C ATOM 809 O VAL A 52 -2.464 -4.667 3.815 1.00 0.00 O ATOM 810 CB VAL A 52 -2.960 -1.912 4.425 1.00 0.00 C ATOM 811 CG1 VAL A 52 -2.031 -1.343 3.364 1.00 0.00 C ATOM 812 CG2 VAL A 52 -3.636 -0.797 5.209 1.00 0.00 C ATOM 0 H VAL A 52 -4.651 -3.560 5.643 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.532 -2.285 2.995 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.361 -2.501 5.119 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -1.293 -0.695 3.836 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -1.522 -2.159 2.851 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -2.611 -0.767 2.643 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.877 -0.155 5.657 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -4.260 -0.207 4.538 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.256 -1.229 5.995 1.00 0.00 H new ATOM 822 N ASP A 53 -3.674 -4.373 1.941 1.00 0.00 N ATOM 823 CA ASP A 53 -3.078 -5.509 1.248 1.00 0.00 C ATOM 824 C ASP A 53 -1.712 -5.144 0.678 1.00 0.00 C ATOM 825 O ASP A 53 -1.331 -3.972 0.655 1.00 0.00 O ATOM 826 CB ASP A 53 -4.001 -5.990 0.126 1.00 0.00 C ATOM 827 CG ASP A 53 -4.712 -7.283 0.475 1.00 0.00 C ATOM 828 OD1 ASP A 53 -5.367 -7.331 1.537 1.00 0.00 O ATOM 829 OD2 ASP A 53 -4.613 -8.247 -0.314 1.00 0.00 O ATOM 0 H ASP A 53 -4.376 -3.869 1.399 1.00 0.00 H new ATOM 0 HA ASP A 53 -2.946 -6.314 1.970 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -4.741 -5.218 -0.088 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -3.418 -6.134 -0.784 1.00 0.00 H new ATOM 834 N CYS A 54 -0.978 -6.152 0.221 1.00 0.00 N ATOM 835 CA CYS A 54 0.349 -5.936 -0.347 1.00 0.00 C ATOM 836 C CYS A 54 0.515 -6.713 -1.648 1.00 0.00 C ATOM 837 O CYS A 54 -0.252 -7.632 -1.937 1.00 0.00 O ATOM 838 CB CYS A 54 1.428 -6.354 0.653 1.00 0.00 C ATOM 839 SG CYS A 54 0.887 -6.327 2.378 1.00 0.00 S ATOM 0 H CYS A 54 -1.278 -7.127 0.232 1.00 0.00 H new ATOM 0 HA CYS A 54 0.457 -4.873 -0.563 1.00 0.00 H new ATOM 0 HB2 CYS A 54 1.767 -7.360 0.406 1.00 0.00 H new ATOM 0 HB3 CYS A 54 2.287 -5.692 0.542 1.00 0.00 H new ATOM 0 HG CYS A 54 -0.191 -7.042 2.506 1.00 0.00 H new ATOM 845 N ASP A 55 1.522 -6.339 -2.431 1.00 0.00 N ATOM 846 CA ASP A 55 1.789 -7.000 -3.702 1.00 0.00 C ATOM 847 C ASP A 55 2.068 -8.485 -3.494 1.00 0.00 C ATOM 848 O ASP A 55 2.428 -8.911 -2.396 1.00 0.00 O ATOM 849 CB ASP A 55 2.976 -6.339 -4.405 1.00 0.00 C ATOM 850 CG ASP A 55 4.087 -5.972 -3.443 1.00 0.00 C ATOM 851 OD1 ASP A 55 4.846 -6.878 -3.037 1.00 0.00 O ATOM 852 OD2 ASP A 55 4.201 -4.777 -3.096 1.00 0.00 O ATOM 0 H ASP A 55 2.167 -5.581 -2.207 1.00 0.00 H new ATOM 0 HA ASP A 55 0.903 -6.900 -4.329 1.00 0.00 H new ATOM 0 HB2 ASP A 55 3.367 -7.015 -5.166 1.00 0.00 H new ATOM 0 HB3 ASP A 55 2.635 -5.442 -4.921 1.00 0.00 H new