USER MOD reduce.3.24.130724 H: found=0, std=0, add=468, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 458 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 45 HIS : no HD1:sc= 0 X(o=0.39,f=0.39) USER MOD Set 1.2: A 66 HIS : no HE2:sc= 0.393 K(o=0.39,f=-2!) USER MOD Set 2.1: A 20 HIS : no HE2:sc= 0.796 K(o=0.14,f=-5.8!) USER MOD Set 2.2: A 53 HIS : no HE2:sc= -0.659 K(o=0.14,f=-2.2) USER MOD Set 3.1: A 17 HIS : no HE2:sc= -0.238 X(o=-0.63,f=-0.44) USER MOD Set 3.2: A 30 HIS : no HD1:sc= -0.39 X(o=-0.63,f=-0.84) USER MOD Set 4.1: A 12 ASN : amide:sc= -0.579 K(o=-0.27,f=0.83) USER MOD Set 4.2: A 14 THR OG1 : rot 180:sc= 0.313 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.0164 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= 0.105 X(o=0.1,f=0) USER MOD Single : A 9 LYS NZ :NH3+ 146:sc=-0.00829 (180deg=-0.386) USER MOD Single : A 10 LYS NZ :NH3+ 158:sc= -1.35 (180deg=-1.77) USER MOD Single : A 18 LYS NZ :NH3+ 172:sc= -0.288 (180deg=-0.389) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 CYS SG : rot 180:sc= 0 USER MOD Single : A 29 CYS SG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 164:sc= 0.994 USER MOD Single : A 46 LYS NZ :NH3+ -172:sc= 1.04 (180deg=0.503) USER MOD Single : A 49 CYS SG : rot 180:sc= -0.019 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot -78:sc= 1.14 USER MOD Single : A 52 CYS SG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 169:sc= 1.16 (180deg=1.08) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 ASN : amide:sc= -0.0223 K(o=-0.022,f=-0.62) USER MOD Single : A 62 CYS SG : rot 180:sc= 0.53 USER MOD Single : A 65 CYS SG : rot 180:sc= -0.241 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 13 N ASP A 2 -3.589 -8.789 -10.067 1.00 0.00 N ATOM 14 CA ASP A 2 -3.406 -7.357 -9.934 1.00 0.00 C ATOM 15 C ASP A 2 -3.861 -6.964 -8.528 1.00 0.00 C ATOM 16 O ASP A 2 -3.053 -6.738 -7.642 1.00 0.00 O ATOM 17 CB ASP A 2 -4.219 -6.618 -11.004 1.00 0.00 C ATOM 18 CG ASP A 2 -4.244 -5.113 -10.745 1.00 0.00 C ATOM 19 OD1 ASP A 2 -3.373 -4.640 -9.977 1.00 0.00 O ATOM 20 OD2 ASP A 2 -5.110 -4.458 -11.353 1.00 0.00 O ATOM 0 HA ASP A 2 -2.360 -7.084 -10.077 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -3.791 -6.812 -11.987 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -5.239 -7.003 -11.019 1.00 0.00 H new ATOM 25 N VAL A 3 -5.167 -6.914 -8.304 1.00 0.00 N ATOM 26 CA VAL A 3 -5.706 -6.454 -7.036 1.00 0.00 C ATOM 27 C VAL A 3 -5.612 -7.555 -5.979 1.00 0.00 C ATOM 28 O VAL A 3 -5.852 -8.724 -6.279 1.00 0.00 O ATOM 29 CB VAL A 3 -7.123 -5.888 -7.209 1.00 0.00 C ATOM 30 CG1 VAL A 3 -7.075 -4.591 -8.027 1.00 0.00 C ATOM 31 CG2 VAL A 3 -8.103 -6.877 -7.853 1.00 0.00 C ATOM 0 H VAL A 3 -5.873 -7.188 -8.988 1.00 0.00 H new ATOM 0 HA VAL A 3 -5.098 -5.626 -6.671 1.00 0.00 H new ATOM 0 HB VAL A 3 -7.499 -5.688 -6.206 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -8.085 -4.197 -8.144 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -6.457 -3.857 -7.510 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -6.649 -4.796 -9.009 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -9.084 -6.410 -7.944 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -7.741 -7.156 -8.842 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -8.182 -7.768 -7.231 1.00 0.00 H new ATOM 41 N VAL A 4 -5.242 -7.178 -4.751 1.00 0.00 N ATOM 42 CA VAL A 4 -5.148 -8.079 -3.601 1.00 0.00 C ATOM 43 C VAL A 4 -5.772 -7.417 -2.360 1.00 0.00 C ATOM 44 O VAL A 4 -5.186 -7.415 -1.281 1.00 0.00 O ATOM 45 CB VAL A 4 -3.685 -8.520 -3.358 1.00 0.00 C ATOM 46 CG1 VAL A 4 -3.650 -9.823 -2.545 1.00 0.00 C ATOM 47 CG2 VAL A 4 -2.890 -8.755 -4.651 1.00 0.00 C ATOM 0 H VAL A 4 -4.994 -6.215 -4.525 1.00 0.00 H new ATOM 0 HA VAL A 4 -5.715 -8.985 -3.813 1.00 0.00 H new ATOM 0 HB VAL A 4 -3.219 -7.696 -2.818 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -2.615 -10.122 -2.381 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -4.139 -9.665 -1.583 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -4.172 -10.608 -3.093 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -1.874 -9.062 -4.403 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -3.372 -9.537 -5.237 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -2.859 -7.833 -5.232 1.00 0.00 H new ATOM 57 N THR A 5 -6.958 -6.826 -2.525 1.00 0.00 N ATOM 58 CA THR A 5 -7.788 -6.277 -1.456 1.00 0.00 C ATOM 59 C THR A 5 -7.839 -7.195 -0.227 1.00 0.00 C ATOM 60 O THR A 5 -7.946 -8.408 -0.393 1.00 0.00 O ATOM 61 CB THR A 5 -9.192 -6.107 -2.048 1.00 0.00 C ATOM 62 OG1 THR A 5 -9.083 -5.260 -3.177 1.00 0.00 O ATOM 63 CG2 THR A 5 -10.190 -5.526 -1.045 1.00 0.00 C ATOM 0 H THR A 5 -7.381 -6.714 -3.446 1.00 0.00 H new ATOM 0 HA THR A 5 -7.371 -5.332 -1.108 1.00 0.00 H new ATOM 0 HB THR A 5 -9.577 -7.089 -2.325 1.00 0.00 H new ATOM 0 HG1 THR A 5 -9.968 -5.134 -3.578 1.00 0.00 H new ATOM 0 HG21 THR A 5 -11.167 -5.428 -1.519 1.00 0.00 H new ATOM 0 HG22 THR A 5 -10.269 -6.190 -0.184 1.00 0.00 H new ATOM 0 HG23 THR A 5 -9.846 -4.545 -0.716 1.00 0.00 H new ATOM 71 N TYR A 6 -7.811 -6.619 0.985 1.00 0.00 N ATOM 72 CA TYR A 6 -7.922 -7.379 2.230 1.00 0.00 C ATOM 73 C TYR A 6 -8.942 -6.756 3.194 1.00 0.00 C ATOM 74 O TYR A 6 -8.824 -5.594 3.591 1.00 0.00 O ATOM 75 CB TYR A 6 -6.544 -7.509 2.894 1.00 0.00 C ATOM 76 CG TYR A 6 -5.540 -8.387 2.163 1.00 0.00 C ATOM 77 CD1 TYR A 6 -5.856 -9.734 1.898 1.00 0.00 C ATOM 78 CD2 TYR A 6 -4.241 -7.914 1.888 1.00 0.00 C ATOM 79 CE1 TYR A 6 -4.888 -10.594 1.352 1.00 0.00 C ATOM 80 CE2 TYR A 6 -3.262 -8.787 1.376 1.00 0.00 C ATOM 81 CZ TYR A 6 -3.585 -10.131 1.117 1.00 0.00 C ATOM 82 OH TYR A 6 -2.643 -11.003 0.658 1.00 0.00 O ATOM 0 H TYR A 6 -7.711 -5.614 1.124 1.00 0.00 H new ATOM 0 HA TYR A 6 -8.288 -8.375 1.982 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -6.117 -6.512 3.001 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -6.682 -7.906 3.900 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -6.846 -10.107 2.115 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -3.996 -6.878 2.071 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -5.148 -11.615 1.113 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -2.263 -8.425 1.182 1.00 0.00 H new ATOM 0 HH TYR A 6 -1.791 -10.533 0.543 1.00 0.00 H new ATOM 92 N GLU A 7 -9.949 -7.539 3.584 1.00 0.00 N ATOM 93 CA GLU A 7 -10.957 -7.200 4.572 1.00 0.00 C ATOM 94 C GLU A 7 -10.341 -7.147 5.975 1.00 0.00 C ATOM 95 O GLU A 7 -9.727 -8.112 6.425 1.00 0.00 O ATOM 96 CB GLU A 7 -12.101 -8.221 4.506 1.00 0.00 C ATOM 97 CG GLU A 7 -12.735 -8.302 3.103 1.00 0.00 C ATOM 98 CD GLU A 7 -12.152 -9.407 2.223 1.00 0.00 C ATOM 99 OE1 GLU A 7 -10.932 -9.656 2.337 1.00 0.00 O ATOM 100 OE2 GLU A 7 -12.944 -9.978 1.444 1.00 0.00 O ATOM 0 H GLU A 7 -10.084 -8.472 3.196 1.00 0.00 H new ATOM 0 HA GLU A 7 -11.359 -6.211 4.353 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -11.724 -9.204 4.789 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -12.867 -7.952 5.233 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -13.808 -8.463 3.209 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -12.605 -7.344 2.600 1.00 0.00 H new ATOM 107 N ASN A 8 -10.511 -6.016 6.663 1.00 0.00 N ATOM 108 CA ASN A 8 -10.047 -5.748 8.019 1.00 0.00 C ATOM 109 C ASN A 8 -11.272 -5.364 8.861 1.00 0.00 C ATOM 110 O ASN A 8 -12.385 -5.293 8.340 1.00 0.00 O ATOM 111 CB ASN A 8 -9.018 -4.602 7.995 1.00 0.00 C ATOM 112 CG ASN A 8 -7.670 -5.005 7.405 1.00 0.00 C ATOM 113 OD1 ASN A 8 -6.664 -4.961 8.105 1.00 0.00 O ATOM 114 ND2 ASN A 8 -7.621 -5.368 6.126 1.00 0.00 N ATOM 0 H ASN A 8 -11.005 -5.219 6.262 1.00 0.00 H new ATOM 0 HA ASN A 8 -9.562 -6.625 8.449 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -9.424 -3.772 7.418 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -8.867 -4.239 9.012 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -6.729 -5.620 5.701 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -8.476 -5.395 5.570 1.00 0.00 H new ATOM 121 N LYS A 9 -11.104 -5.094 10.162 1.00 0.00 N ATOM 122 CA LYS A 9 -12.199 -4.539 10.955 1.00 0.00 C ATOM 123 C LYS A 9 -12.408 -3.069 10.579 1.00 0.00 C ATOM 124 O LYS A 9 -13.540 -2.640 10.362 1.00 0.00 O ATOM 125 CB LYS A 9 -11.948 -4.740 12.455 1.00 0.00 C ATOM 126 CG LYS A 9 -12.067 -6.229 12.836 1.00 0.00 C ATOM 127 CD LYS A 9 -10.845 -6.828 13.549 1.00 0.00 C ATOM 128 CE LYS A 9 -10.385 -6.010 14.766 1.00 0.00 C ATOM 129 NZ LYS A 9 -9.138 -5.268 14.487 1.00 0.00 N ATOM 0 H LYS A 9 -10.237 -5.248 10.676 1.00 0.00 H new ATOM 0 HA LYS A 9 -13.122 -5.073 10.729 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -10.955 -4.372 12.715 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -12.666 -4.155 13.030 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -12.938 -6.353 13.479 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -12.255 -6.804 11.930 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -11.083 -7.842 13.871 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -10.021 -6.904 12.839 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -11.170 -5.309 15.051 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -10.230 -6.676 15.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -9.151 -4.363 14.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -8.322 -5.831 14.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -9.063 -5.087 13.466 1.00 0.00 H new ATOM 143 N LYS A 10 -11.323 -2.300 10.436 1.00 0.00 N ATOM 144 CA LYS A 10 -11.341 -0.999 9.789 1.00 0.00 C ATOM 145 C LYS A 10 -11.439 -1.203 8.283 1.00 0.00 C ATOM 146 O LYS A 10 -10.496 -0.955 7.534 1.00 0.00 O ATOM 147 CB LYS A 10 -10.123 -0.167 10.218 1.00 0.00 C ATOM 148 CG LYS A 10 -10.251 0.254 11.686 1.00 0.00 C ATOM 149 CD LYS A 10 -11.458 1.163 11.980 1.00 0.00 C ATOM 150 CE LYS A 10 -11.465 2.441 11.127 1.00 0.00 C ATOM 151 NZ LYS A 10 -12.192 2.338 9.839 1.00 0.00 N ATOM 0 H LYS A 10 -10.400 -2.574 10.773 1.00 0.00 H new ATOM 0 HA LYS A 10 -12.214 -0.425 10.100 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -9.211 -0.748 10.078 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -10.038 0.717 9.586 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -10.326 -0.641 12.304 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -9.339 0.772 11.984 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -12.378 0.607 11.800 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -11.452 1.436 13.035 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -11.908 3.247 11.712 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -10.433 2.727 10.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -12.466 3.289 9.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -11.576 1.896 9.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -13.045 1.757 9.967 1.00 0.00 H new ATOM 165 N GLY A 11 -12.620 -1.669 7.884 1.00 0.00 N ATOM 166 CA GLY A 11 -13.065 -1.725 6.512 1.00 0.00 C ATOM 167 C GLY A 11 -12.241 -2.718 5.723 1.00 0.00 C ATOM 168 O GLY A 11 -11.499 -3.502 6.303 1.00 0.00 O ATOM 0 H GLY A 11 -13.313 -2.030 8.540 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -14.117 -2.009 6.477 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -12.986 -0.737 6.058 1.00 0.00 H new ATOM 172 N ASN A 12 -12.343 -2.688 4.397 1.00 0.00 N ATOM 173 CA ASN A 12 -11.359 -3.384 3.583 1.00 0.00 C ATOM 174 C ASN A 12 -10.305 -2.370 3.186 1.00 0.00 C ATOM 175 O ASN A 12 -10.633 -1.224 2.886 1.00 0.00 O ATOM 176 CB ASN A 12 -12.003 -4.071 2.368 1.00 0.00 C ATOM 177 CG ASN A 12 -12.340 -3.112 1.224 1.00 0.00 C ATOM 178 OD1 ASN A 12 -13.481 -2.688 1.080 1.00 0.00 O ATOM 179 ND2 ASN A 12 -11.354 -2.787 0.392 1.00 0.00 N ATOM 0 H ASN A 12 -13.075 -2.204 3.878 1.00 0.00 H new ATOM 0 HA ASN A 12 -10.898 -4.192 4.151 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -11.327 -4.841 1.997 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -12.915 -4.575 2.688 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -11.536 -2.166 -0.396 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -10.416 -3.159 0.543 1.00 0.00 H new ATOM 186 N VAL A 13 -9.044 -2.794 3.173 1.00 0.00 N ATOM 187 CA VAL A 13 -8.004 -2.030 2.527 1.00 0.00 C ATOM 188 C VAL A 13 -7.895 -2.584 1.110 1.00 0.00 C ATOM 189 O VAL A 13 -7.460 -3.716 0.892 1.00 0.00 O ATOM 190 CB VAL A 13 -6.714 -2.037 3.359 1.00 0.00 C ATOM 191 CG1 VAL A 13 -5.988 -3.380 3.424 1.00 0.00 C ATOM 192 CG2 VAL A 13 -5.753 -0.974 2.831 1.00 0.00 C ATOM 0 H VAL A 13 -8.727 -3.662 3.604 1.00 0.00 H new ATOM 0 HA VAL A 13 -8.231 -0.966 2.455 1.00 0.00 H new ATOM 0 HB VAL A 13 -7.033 -1.822 4.379 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -5.091 -3.279 4.035 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -6.646 -4.128 3.866 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -5.709 -3.692 2.418 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -4.839 -0.983 3.425 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -5.511 -1.187 1.790 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -6.222 0.007 2.901 1.00 0.00 H new ATOM 202 N THR A 14 -8.393 -1.817 0.143 1.00 0.00 N ATOM 203 CA THR A 14 -8.140 -2.075 -1.258 1.00 0.00 C ATOM 204 C THR A 14 -6.626 -1.987 -1.464 1.00 0.00 C ATOM 205 O THR A 14 -5.964 -1.125 -0.884 1.00 0.00 O ATOM 206 CB THR A 14 -8.945 -1.078 -2.103 1.00 0.00 C ATOM 207 OG1 THR A 14 -10.302 -1.120 -1.693 1.00 0.00 O ATOM 208 CG2 THR A 14 -8.855 -1.412 -3.596 1.00 0.00 C ATOM 0 H THR A 14 -8.982 -1.002 0.316 1.00 0.00 H new ATOM 0 HA THR A 14 -8.465 -3.066 -1.575 1.00 0.00 H new ATOM 0 HB THR A 14 -8.530 -0.081 -1.953 1.00 0.00 H new ATOM 0 HG1 THR A 14 -10.825 -0.485 -2.226 1.00 0.00 H new ATOM 0 HG21 THR A 14 -9.436 -0.687 -4.167 1.00 0.00 H new ATOM 0 HG22 THR A 14 -7.813 -1.374 -3.915 1.00 0.00 H new ATOM 0 HG23 THR A 14 -9.252 -2.412 -3.770 1.00 0.00 H new ATOM 216 N PHE A 15 -6.070 -2.928 -2.223 1.00 0.00 N ATOM 217 CA PHE A 15 -4.643 -3.069 -2.429 1.00 0.00 C ATOM 218 C PHE A 15 -4.487 -3.473 -3.884 1.00 0.00 C ATOM 219 O PHE A 15 -5.168 -4.399 -4.325 1.00 0.00 O ATOM 220 CB PHE A 15 -4.123 -4.153 -1.479 1.00 0.00 C ATOM 221 CG PHE A 15 -2.658 -4.535 -1.605 1.00 0.00 C ATOM 222 CD1 PHE A 15 -2.189 -5.199 -2.758 1.00 0.00 C ATOM 223 CD2 PHE A 15 -1.829 -4.454 -0.472 1.00 0.00 C ATOM 224 CE1 PHE A 15 -0.890 -5.726 -2.796 1.00 0.00 C ATOM 225 CE2 PHE A 15 -0.560 -5.056 -0.482 1.00 0.00 C ATOM 226 CZ PHE A 15 -0.089 -5.686 -1.647 1.00 0.00 C ATOM 0 H PHE A 15 -6.619 -3.628 -2.722 1.00 0.00 H new ATOM 0 HA PHE A 15 -4.079 -2.159 -2.225 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -4.300 -3.820 -0.456 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -4.722 -5.051 -1.630 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -2.835 -5.302 -3.617 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -2.169 -3.928 0.408 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -0.508 -6.161 -3.708 1.00 0.00 H new ATOM 0 HE2 PHE A 15 0.054 -5.035 0.406 1.00 0.00 H new ATOM 0 HZ PHE A 15 0.891 -6.140 -1.656 1.00 0.00 H new ATOM 236 N ASP A 16 -3.588 -2.809 -4.608 1.00 0.00 N ATOM 237 CA ASP A 16 -3.388 -3.018 -6.027 1.00 0.00 C ATOM 238 C ASP A 16 -1.972 -3.541 -6.196 1.00 0.00 C ATOM 239 O ASP A 16 -1.113 -3.226 -5.371 1.00 0.00 O ATOM 240 CB ASP A 16 -3.596 -1.700 -6.781 1.00 0.00 C ATOM 241 CG ASP A 16 -4.822 -0.934 -6.298 1.00 0.00 C ATOM 242 OD1 ASP A 16 -4.660 -0.179 -5.314 1.00 0.00 O ATOM 243 OD2 ASP A 16 -5.899 -1.137 -6.897 1.00 0.00 O ATOM 0 H ASP A 16 -2.971 -2.100 -4.211 1.00 0.00 H new ATOM 0 HA ASP A 16 -4.102 -3.733 -6.435 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -2.711 -1.074 -6.662 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -3.699 -1.908 -7.846 1.00 0.00 H new ATOM 248 N HIS A 17 -1.705 -4.326 -7.236 1.00 0.00 N ATOM 249 CA HIS A 17 -0.369 -4.842 -7.476 1.00 0.00 C ATOM 250 C HIS A 17 0.058 -4.474 -8.886 1.00 0.00 C ATOM 251 O HIS A 17 1.092 -3.827 -9.049 1.00 0.00 O ATOM 252 CB HIS A 17 -0.341 -6.348 -7.173 1.00 0.00 C ATOM 253 CG HIS A 17 0.975 -6.941 -6.758 1.00 0.00 C ATOM 254 ND1 HIS A 17 1.363 -8.242 -6.974 1.00 0.00 N ATOM 255 CD2 HIS A 17 1.943 -6.340 -6.003 1.00 0.00 C ATOM 256 CE1 HIS A 17 2.574 -8.398 -6.417 1.00 0.00 C ATOM 257 NE2 HIS A 17 2.981 -7.261 -5.824 1.00 0.00 N ATOM 0 H HIS A 17 -2.400 -4.617 -7.924 1.00 0.00 H new ATOM 0 HA HIS A 17 0.364 -4.390 -6.807 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -1.065 -6.547 -6.383 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -0.685 -6.878 -8.061 1.00 0.00 H new ATOM 0 HD1 HIS A 17 0.829 -8.957 -7.467 1.00 0.00 H new ATOM 0 HD2 HIS A 17 1.912 -5.333 -5.614 1.00 0.00 H new ATOM 0 HE1 HIS A 17 3.146 -9.314 -6.442 1.00 0.00 H new ATOM 265 N LYS A 18 -0.750 -4.802 -9.900 1.00 0.00 N ATOM 266 CA LYS A 18 -0.441 -4.301 -11.234 1.00 0.00 C ATOM 267 C LYS A 18 -0.787 -2.817 -11.291 1.00 0.00 C ATOM 268 O LYS A 18 0.077 -2.009 -11.620 1.00 0.00 O ATOM 269 CB LYS A 18 -1.118 -5.108 -12.350 1.00 0.00 C ATOM 270 CG LYS A 18 -0.640 -4.613 -13.729 1.00 0.00 C ATOM 271 CD LYS A 18 -1.085 -5.521 -14.886 1.00 0.00 C ATOM 272 CE LYS A 18 -0.060 -6.612 -15.235 1.00 0.00 C ATOM 273 NZ LYS A 18 0.250 -7.489 -14.090 1.00 0.00 N ATOM 0 H LYS A 18 -1.584 -5.385 -9.827 1.00 0.00 H new ATOM 0 HA LYS A 18 0.626 -4.427 -11.416 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -0.886 -6.167 -12.235 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -2.201 -5.009 -12.275 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -1.021 -3.606 -13.899 1.00 0.00 H new ATOM 0 HG3 LYS A 18 0.448 -4.545 -13.726 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -2.032 -5.993 -14.624 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -1.268 -4.909 -15.769 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -0.444 -7.216 -16.057 1.00 0.00 H new ATOM 0 HE3 LYS A 18 0.859 -6.143 -15.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 0.838 -8.284 -14.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 0.765 -6.947 -13.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -0.635 -7.854 -13.683 1.00 0.00 H new ATOM 287 N ALA A 19 -2.031 -2.456 -10.961 1.00 0.00 N ATOM 288 CA ALA A 19 -2.507 -1.088 -11.131 1.00 0.00 C ATOM 289 C ALA A 19 -1.651 -0.087 -10.348 1.00 0.00 C ATOM 290 O ALA A 19 -1.373 1.003 -10.845 1.00 0.00 O ATOM 291 CB ALA A 19 -3.999 -0.981 -10.807 1.00 0.00 C ATOM 0 H ALA A 19 -2.724 -3.096 -10.574 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.395 -0.819 -12.181 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -4.328 0.049 -10.942 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -4.564 -1.632 -11.474 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.170 -1.284 -9.774 1.00 0.00 H new ATOM 297 N HIS A 20 -1.167 -0.459 -9.154 1.00 0.00 N ATOM 298 CA HIS A 20 -0.139 0.333 -8.487 1.00 0.00 C ATOM 299 C HIS A 20 1.118 0.385 -9.371 1.00 0.00 C ATOM 300 O HIS A 20 1.609 1.466 -9.710 1.00 0.00 O ATOM 301 CB HIS A 20 0.233 -0.266 -7.121 1.00 0.00 C ATOM 302 CG HIS A 20 -0.458 0.268 -5.886 1.00 0.00 C ATOM 303 ND1 HIS A 20 -0.979 -0.518 -4.889 1.00 0.00 N ATOM 304 CD2 HIS A 20 -0.339 1.531 -5.364 1.00 0.00 C ATOM 305 CE1 HIS A 20 -1.211 0.250 -3.817 1.00 0.00 C ATOM 306 NE2 HIS A 20 -0.812 1.511 -4.043 1.00 0.00 N ATOM 0 H HIS A 20 -1.468 -1.289 -8.643 1.00 0.00 H new ATOM 0 HA HIS A 20 -0.535 1.336 -8.327 1.00 0.00 H new ATOM 0 HB2 HIS A 20 0.046 -1.339 -7.168 1.00 0.00 H new ATOM 0 HB3 HIS A 20 1.306 -0.135 -6.983 1.00 0.00 H new ATOM 0 HD1 HIS A 20 -1.159 -1.520 -4.954 1.00 0.00 H new ATOM 0 HD2 HIS A 20 0.052 2.394 -5.882 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -1.658 -0.098 -2.897 1.00 0.00 H new ATOM 314 N ALA A 21 1.682 -0.788 -9.694 1.00 0.00 N ATOM 315 CA ALA A 21 2.950 -0.902 -10.404 1.00 0.00 C ATOM 316 C ALA A 21 3.040 0.007 -11.627 1.00 0.00 C ATOM 317 O ALA A 21 4.111 0.553 -11.874 1.00 0.00 O ATOM 318 CB ALA A 21 3.237 -2.349 -10.802 1.00 0.00 C ATOM 0 H ALA A 21 1.261 -1.688 -9.465 1.00 0.00 H new ATOM 0 HA ALA A 21 3.713 -0.567 -9.701 1.00 0.00 H new ATOM 0 HB1 ALA A 21 4.190 -2.399 -11.329 1.00 0.00 H new ATOM 0 HB2 ALA A 21 3.284 -2.970 -9.907 1.00 0.00 H new ATOM 0 HB3 ALA A 21 2.442 -2.712 -11.454 1.00 0.00 H new ATOM 324 N GLU A 22 1.948 0.184 -12.374 1.00 0.00 N ATOM 325 CA GLU A 22 1.938 1.071 -13.535 1.00 0.00 C ATOM 326 C GLU A 22 2.468 2.473 -13.211 1.00 0.00 C ATOM 327 O GLU A 22 3.143 3.074 -14.045 1.00 0.00 O ATOM 328 CB GLU A 22 0.544 1.133 -14.173 1.00 0.00 C ATOM 329 CG GLU A 22 -0.007 -0.284 -14.371 1.00 0.00 C ATOM 330 CD GLU A 22 -1.115 -0.391 -15.409 1.00 0.00 C ATOM 331 OE1 GLU A 22 -1.637 0.668 -15.815 1.00 0.00 O ATOM 332 OE2 GLU A 22 -1.414 -1.551 -15.771 1.00 0.00 O ATOM 0 H GLU A 22 1.057 -0.278 -12.193 1.00 0.00 H new ATOM 0 HA GLU A 22 2.625 0.642 -14.264 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -0.130 1.708 -13.538 1.00 0.00 H new ATOM 0 HB3 GLU A 22 0.597 1.649 -15.132 1.00 0.00 H new ATOM 0 HG2 GLU A 22 0.812 -0.941 -14.663 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -0.384 -0.650 -13.416 1.00 0.00 H new ATOM 339 N LYS A 23 2.183 2.995 -12.012 1.00 0.00 N ATOM 340 CA LYS A 23 2.791 4.234 -11.541 1.00 0.00 C ATOM 341 C LYS A 23 4.102 3.941 -10.798 1.00 0.00 C ATOM 342 O LYS A 23 5.106 4.603 -11.048 1.00 0.00 O ATOM 343 CB LYS A 23 1.798 5.050 -10.696 1.00 0.00 C ATOM 344 CG LYS A 23 0.596 5.530 -11.530 1.00 0.00 C ATOM 345 CD LYS A 23 -0.208 6.631 -10.815 1.00 0.00 C ATOM 346 CE LYS A 23 0.418 8.025 -11.007 1.00 0.00 C ATOM 347 NZ LYS A 23 -0.210 9.071 -10.164 1.00 0.00 N ATOM 0 H LYS A 23 1.531 2.572 -11.351 1.00 0.00 H new ATOM 0 HA LYS A 23 3.044 4.852 -12.402 1.00 0.00 H new ATOM 0 HB2 LYS A 23 1.443 4.442 -9.864 1.00 0.00 H new ATOM 0 HB3 LYS A 23 2.309 5.911 -10.266 1.00 0.00 H new ATOM 0 HG2 LYS A 23 0.950 5.906 -12.490 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -0.058 4.684 -11.741 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -1.230 6.638 -11.195 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -0.265 6.404 -9.751 1.00 0.00 H new ATOM 0 HE2 LYS A 23 1.482 7.973 -10.776 1.00 0.00 H new ATOM 0 HE3 LYS A 23 0.333 8.313 -12.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 0.256 9.984 -10.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -1.220 9.146 -10.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -0.106 8.817 -9.161 1.00 0.00 H new ATOM 361 N LEU A 24 4.103 2.992 -9.855 1.00 0.00 N ATOM 362 CA LEU A 24 5.220 2.805 -8.941 1.00 0.00 C ATOM 363 C LEU A 24 6.467 2.177 -9.566 1.00 0.00 C ATOM 364 O LEU A 24 7.572 2.651 -9.320 1.00 0.00 O ATOM 365 CB LEU A 24 4.782 1.929 -7.774 1.00 0.00 C ATOM 366 CG LEU A 24 3.915 2.675 -6.765 1.00 0.00 C ATOM 367 CD1 LEU A 24 2.492 2.973 -7.222 1.00 0.00 C ATOM 368 CD2 LEU A 24 3.770 1.753 -5.564 1.00 0.00 C ATOM 0 H LEU A 24 3.332 2.340 -9.710 1.00 0.00 H new ATOM 0 HA LEU A 24 5.501 3.809 -8.624 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.229 1.072 -8.157 1.00 0.00 H new ATOM 0 HB3 LEU A 24 5.665 1.538 -7.268 1.00 0.00 H new ATOM 0 HG LEU A 24 4.405 3.632 -6.582 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.960 3.505 -6.433 1.00 0.00 H new ATOM 0 HD12 LEU A 24 2.520 3.590 -8.120 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.976 2.038 -7.440 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.155 2.238 -4.805 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.296 0.822 -5.875 1.00 0.00 H new ATOM 0 HD23 LEU A 24 4.755 1.537 -5.150 1.00 0.00 H new ATOM 380 N GLY A 25 6.307 1.062 -10.284 1.00 0.00 N ATOM 381 CA GLY A 25 7.419 0.373 -10.926 1.00 0.00 C ATOM 382 C GLY A 25 8.090 -0.719 -10.081 1.00 0.00 C ATOM 383 O GLY A 25 9.288 -0.941 -10.232 1.00 0.00 O ATOM 0 H GLY A 25 5.402 0.616 -10.434 1.00 0.00 H new ATOM 0 HA2 GLY A 25 7.061 -0.076 -11.852 1.00 0.00 H new ATOM 0 HA3 GLY A 25 8.172 1.111 -11.201 1.00 0.00 H new ATOM 387 N CYS A 26 7.329 -1.413 -9.224 1.00 0.00 N ATOM 388 CA CYS A 26 7.765 -2.518 -8.353 1.00 0.00 C ATOM 389 C CYS A 26 8.716 -2.044 -7.247 1.00 0.00 C ATOM 390 O CYS A 26 8.380 -2.102 -6.056 1.00 0.00 O ATOM 391 CB CYS A 26 8.381 -3.708 -9.080 1.00 0.00 C ATOM 392 SG CYS A 26 7.612 -4.257 -10.635 1.00 0.00 S ATOM 0 H CYS A 26 6.336 -1.208 -9.112 1.00 0.00 H new ATOM 0 HA CYS A 26 6.835 -2.874 -7.910 1.00 0.00 H new ATOM 0 HB2 CYS A 26 9.423 -3.467 -9.291 1.00 0.00 H new ATOM 0 HB3 CYS A 26 8.383 -4.554 -8.392 1.00 0.00 H new ATOM 0 HG CYS A 26 8.269 -5.274 -11.109 1.00 0.00 H new ATOM 397 N ASP A 27 9.909 -1.603 -7.660 1.00 0.00 N ATOM 398 CA ASP A 27 11.072 -1.262 -6.851 1.00 0.00 C ATOM 399 C ASP A 27 10.838 0.087 -6.166 1.00 0.00 C ATOM 400 O ASP A 27 11.508 1.083 -6.422 1.00 0.00 O ATOM 401 CB ASP A 27 12.303 -1.270 -7.771 1.00 0.00 C ATOM 402 CG ASP A 27 13.613 -1.258 -6.998 1.00 0.00 C ATOM 403 OD1 ASP A 27 13.815 -2.221 -6.228 1.00 0.00 O ATOM 404 OD2 ASP A 27 14.418 -0.333 -7.238 1.00 0.00 O ATOM 0 H ASP A 27 10.096 -1.466 -8.653 1.00 0.00 H new ATOM 0 HA ASP A 27 11.241 -1.986 -6.054 1.00 0.00 H new ATOM 0 HB2 ASP A 27 12.270 -2.154 -8.408 1.00 0.00 H new ATOM 0 HB3 ASP A 27 12.266 -0.402 -8.429 1.00 0.00 H new ATOM 409 N ALA A 28 9.795 0.117 -5.338 1.00 0.00 N ATOM 410 CA ALA A 28 9.288 1.281 -4.641 1.00 0.00 C ATOM 411 C ALA A 28 8.593 0.796 -3.372 1.00 0.00 C ATOM 412 O ALA A 28 8.867 1.284 -2.280 1.00 0.00 O ATOM 413 CB ALA A 28 8.328 2.044 -5.557 1.00 0.00 C ATOM 0 H ALA A 28 9.255 -0.723 -5.129 1.00 0.00 H new ATOM 0 HA ALA A 28 10.092 1.965 -4.369 1.00 0.00 H new ATOM 0 HB1 ALA A 28 7.945 2.920 -5.034 1.00 0.00 H new ATOM 0 HB2 ALA A 28 8.857 2.360 -6.456 1.00 0.00 H new ATOM 0 HB3 ALA A 28 7.497 1.395 -5.834 1.00 0.00 H new ATOM 419 N CYS A 29 7.708 -0.197 -3.524 1.00 0.00 N ATOM 420 CA CYS A 29 7.253 -1.011 -2.408 1.00 0.00 C ATOM 421 C CYS A 29 8.337 -2.041 -2.091 1.00 0.00 C ATOM 422 O CYS A 29 8.684 -2.250 -0.930 1.00 0.00 O ATOM 423 CB CYS A 29 5.972 -1.720 -2.757 1.00 0.00 C ATOM 424 SG CYS A 29 4.601 -0.574 -3.069 1.00 0.00 S ATOM 0 H CYS A 29 7.294 -0.452 -4.421 1.00 0.00 H new ATOM 0 HA CYS A 29 7.067 -0.373 -1.544 1.00 0.00 H new ATOM 0 HB2 CYS A 29 6.132 -2.338 -3.641 1.00 0.00 H new ATOM 0 HB3 CYS A 29 5.700 -2.392 -1.943 1.00 0.00 H new ATOM 0 HG CYS A 29 3.530 -1.249 -3.366 1.00 0.00 H new ATOM 429 N HIS A 30 8.848 -2.710 -3.132 1.00 0.00 N ATOM 430 CA HIS A 30 9.899 -3.702 -3.016 1.00 0.00 C ATOM 431 C HIS A 30 11.283 -3.057 -3.103 1.00 0.00 C ATOM 432 O HIS A 30 11.405 -1.863 -3.368 1.00 0.00 O ATOM 433 CB HIS A 30 9.714 -4.728 -4.135 1.00 0.00 C ATOM 434 CG HIS A 30 8.474 -5.556 -3.967 1.00 0.00 C ATOM 435 ND1 HIS A 30 8.300 -6.568 -3.051 1.00 0.00 N ATOM 436 CD2 HIS A 30 7.353 -5.491 -4.744 1.00 0.00 C ATOM 437 CE1 HIS A 30 7.091 -7.104 -3.279 1.00 0.00 C ATOM 438 NE2 HIS A 30 6.479 -6.484 -4.299 1.00 0.00 N ATOM 0 H HIS A 30 8.530 -2.567 -4.091 1.00 0.00 H new ATOM 0 HA HIS A 30 9.833 -4.189 -2.043 1.00 0.00 H new ATOM 0 HB2 HIS A 30 9.672 -4.210 -5.093 1.00 0.00 H new ATOM 0 HB3 HIS A 30 10.583 -5.386 -4.166 1.00 0.00 H new ATOM 0 HD2 HIS A 30 7.175 -4.799 -5.554 1.00 0.00 H new ATOM 0 HE1 HIS A 30 6.668 -7.924 -2.717 1.00 0.00 H new ATOM 0 HE2 HIS A 30 5.555 -6.697 -4.676 1.00 0.00 H new ATOM 446 N GLU A 31 12.301 -3.896 -2.902 1.00 0.00 N ATOM 447 CA GLU A 31 13.694 -3.645 -3.230 1.00 0.00 C ATOM 448 C GLU A 31 14.132 -4.813 -4.133 1.00 0.00 C ATOM 449 O GLU A 31 13.283 -5.560 -4.629 1.00 0.00 O ATOM 450 CB GLU A 31 14.504 -3.550 -1.921 1.00 0.00 C ATOM 451 CG GLU A 31 15.689 -2.576 -2.007 1.00 0.00 C ATOM 452 CD GLU A 31 16.474 -2.571 -0.704 1.00 0.00 C ATOM 453 OE1 GLU A 31 16.075 -1.805 0.199 1.00 0.00 O ATOM 454 OE2 GLU A 31 17.445 -3.353 -0.631 1.00 0.00 O ATOM 0 H GLU A 31 12.162 -4.816 -2.484 1.00 0.00 H new ATOM 0 HA GLU A 31 13.855 -2.705 -3.758 1.00 0.00 H new ATOM 0 HB2 GLU A 31 13.842 -3.235 -1.115 1.00 0.00 H new ATOM 0 HB3 GLU A 31 14.876 -4.541 -1.659 1.00 0.00 H new ATOM 0 HG2 GLU A 31 16.343 -2.862 -2.831 1.00 0.00 H new ATOM 0 HG3 GLU A 31 15.326 -1.571 -2.223 1.00 0.00 H new ATOM 461 N GLY A 32 15.441 -5.022 -4.293 1.00 0.00 N ATOM 462 CA GLY A 32 16.011 -6.095 -5.097 1.00 0.00 C ATOM 463 C GLY A 32 15.372 -7.456 -4.801 1.00 0.00 C ATOM 464 O GLY A 32 15.397 -7.912 -3.661 1.00 0.00 O ATOM 0 H GLY A 32 16.148 -4.432 -3.854 1.00 0.00 H new ATOM 0 HA2 GLY A 32 15.883 -5.860 -6.154 1.00 0.00 H new ATOM 0 HA3 GLY A 32 17.083 -6.153 -4.911 1.00 0.00 H new ATOM 468 N THR A 33 14.823 -8.100 -5.839 1.00 0.00 N ATOM 469 CA THR A 33 14.198 -9.417 -5.783 1.00 0.00 C ATOM 470 C THR A 33 12.909 -9.381 -4.943 1.00 0.00 C ATOM 471 O THR A 33 12.948 -9.636 -3.741 1.00 0.00 O ATOM 472 CB THR A 33 15.202 -10.475 -5.294 1.00 0.00 C ATOM 473 OG1 THR A 33 16.413 -10.352 -6.017 1.00 0.00 O ATOM 474 CG2 THR A 33 14.660 -11.894 -5.502 1.00 0.00 C ATOM 0 H THR A 33 14.804 -7.697 -6.776 1.00 0.00 H new ATOM 0 HA THR A 33 13.901 -9.708 -6.790 1.00 0.00 H new ATOM 0 HB THR A 33 15.368 -10.308 -4.230 1.00 0.00 H new ATOM 0 HG1 THR A 33 17.052 -11.026 -5.703 1.00 0.00 H new ATOM 0 HG21 THR A 33 15.392 -12.619 -5.147 1.00 0.00 H new ATOM 0 HG22 THR A 33 13.731 -12.014 -4.945 1.00 0.00 H new ATOM 0 HG23 THR A 33 14.471 -12.059 -6.563 1.00 0.00 H new ATOM 482 N PRO A 34 11.750 -9.084 -5.552 1.00 0.00 N ATOM 483 CA PRO A 34 10.508 -8.951 -4.815 1.00 0.00 C ATOM 484 C PRO A 34 10.026 -10.322 -4.334 1.00 0.00 C ATOM 485 O PRO A 34 10.212 -11.333 -5.010 1.00 0.00 O ATOM 486 CB PRO A 34 9.530 -8.303 -5.794 1.00 0.00 C ATOM 487 CG PRO A 34 10.001 -8.827 -7.148 1.00 0.00 C ATOM 488 CD PRO A 34 11.520 -8.894 -6.977 1.00 0.00 C ATOM 0 HA PRO A 34 10.614 -8.344 -3.916 1.00 0.00 H new ATOM 0 HB2 PRO A 34 8.500 -8.592 -5.586 1.00 0.00 H new ATOM 0 HB3 PRO A 34 9.572 -7.215 -5.746 1.00 0.00 H new ATOM 0 HG2 PRO A 34 9.576 -9.805 -7.373 1.00 0.00 H new ATOM 0 HG3 PRO A 34 9.715 -8.160 -7.961 1.00 0.00 H new ATOM 0 HD2 PRO A 34 11.943 -9.716 -7.554 1.00 0.00 H new ATOM 0 HD3 PRO A 34 11.994 -7.979 -7.331 1.00 0.00 H new ATOM 496 N ALA A 35 9.397 -10.346 -3.159 1.00 0.00 N ATOM 497 CA ALA A 35 8.848 -11.523 -2.510 1.00 0.00 C ATOM 498 C ALA A 35 7.777 -11.019 -1.546 1.00 0.00 C ATOM 499 O ALA A 35 7.575 -9.807 -1.449 1.00 0.00 O ATOM 500 CB ALA A 35 9.961 -12.278 -1.775 1.00 0.00 C ATOM 0 H ALA A 35 9.252 -9.498 -2.611 1.00 0.00 H new ATOM 0 HA ALA A 35 8.414 -12.221 -3.226 1.00 0.00 H new ATOM 0 HB1 ALA A 35 9.543 -13.160 -1.290 1.00 0.00 H new ATOM 0 HB2 ALA A 35 10.726 -12.584 -2.489 1.00 0.00 H new ATOM 0 HB3 ALA A 35 10.407 -11.627 -1.023 1.00 0.00 H new ATOM 506 N LYS A 36 7.074 -11.914 -0.845 1.00 0.00 N ATOM 507 CA LYS A 36 5.972 -11.479 0.000 1.00 0.00 C ATOM 508 C LYS A 36 6.471 -10.619 1.169 1.00 0.00 C ATOM 509 O LYS A 36 7.209 -11.092 2.031 1.00 0.00 O ATOM 510 CB LYS A 36 5.040 -12.644 0.374 1.00 0.00 C ATOM 511 CG LYS A 36 5.524 -13.527 1.530 1.00 0.00 C ATOM 512 CD LYS A 36 4.955 -13.068 2.886 1.00 0.00 C ATOM 513 CE LYS A 36 3.462 -13.410 3.045 1.00 0.00 C ATOM 514 NZ LYS A 36 2.724 -12.361 3.785 1.00 0.00 N ATOM 0 H LYS A 36 7.247 -12.919 -0.848 1.00 0.00 H new ATOM 0 HA LYS A 36 5.329 -10.810 -0.572 1.00 0.00 H new ATOM 0 HB2 LYS A 36 4.063 -12.237 0.635 1.00 0.00 H new ATOM 0 HB3 LYS A 36 4.899 -13.272 -0.506 1.00 0.00 H new ATOM 0 HG2 LYS A 36 5.230 -14.560 1.345 1.00 0.00 H new ATOM 0 HG3 LYS A 36 6.613 -13.508 1.569 1.00 0.00 H new ATOM 0 HD2 LYS A 36 5.520 -13.538 3.691 1.00 0.00 H new ATOM 0 HD3 LYS A 36 5.091 -11.991 2.988 1.00 0.00 H new ATOM 0 HE2 LYS A 36 3.014 -13.541 2.060 1.00 0.00 H new ATOM 0 HE3 LYS A 36 3.362 -14.360 3.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 1.724 -12.633 3.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 3.133 -12.253 4.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 2.796 -11.459 3.272 1.00 0.00 H new ATOM 528 N ILE A 37 6.080 -9.345 1.189 1.00 0.00 N ATOM 529 CA ILE A 37 6.410 -8.418 2.261 1.00 0.00 C ATOM 530 C ILE A 37 5.582 -8.773 3.508 1.00 0.00 C ATOM 531 O ILE A 37 4.454 -9.259 3.407 1.00 0.00 O ATOM 532 CB ILE A 37 6.180 -6.974 1.766 1.00 0.00 C ATOM 533 CG1 ILE A 37 7.100 -6.668 0.562 1.00 0.00 C ATOM 534 CG2 ILE A 37 6.384 -5.944 2.889 1.00 0.00 C ATOM 535 CD1 ILE A 37 6.937 -5.253 -0.007 1.00 0.00 C ATOM 0 H ILE A 37 5.517 -8.926 0.449 1.00 0.00 H new ATOM 0 HA ILE A 37 7.460 -8.496 2.544 1.00 0.00 H new ATOM 0 HB ILE A 37 5.142 -6.894 1.444 1.00 0.00 H new ATOM 0 HG12 ILE A 37 8.137 -6.808 0.866 1.00 0.00 H new ATOM 0 HG13 ILE A 37 6.899 -7.391 -0.228 1.00 0.00 H new ATOM 0 HG21 ILE A 37 6.213 -4.941 2.498 1.00 0.00 H new ATOM 0 HG22 ILE A 37 5.681 -6.143 3.698 1.00 0.00 H new ATOM 0 HG23 ILE A 37 7.403 -6.016 3.268 1.00 0.00 H new ATOM 0 HD11 ILE A 37 7.617 -5.119 -0.848 1.00 0.00 H new ATOM 0 HD12 ILE A 37 5.910 -5.113 -0.345 1.00 0.00 H new ATOM 0 HD13 ILE A 37 7.168 -4.521 0.767 1.00 0.00 H new ATOM 547 N ALA A 38 6.138 -8.534 4.700 1.00 0.00 N ATOM 548 CA ALA A 38 5.468 -8.799 5.967 1.00 0.00 C ATOM 549 C ALA A 38 4.426 -7.719 6.277 1.00 0.00 C ATOM 550 O ALA A 38 4.611 -6.905 7.183 1.00 0.00 O ATOM 551 CB ALA A 38 6.516 -8.923 7.079 1.00 0.00 C ATOM 0 H ALA A 38 7.076 -8.147 4.808 1.00 0.00 H new ATOM 0 HA ALA A 38 4.926 -9.742 5.899 1.00 0.00 H new ATOM 0 HB1 ALA A 38 6.018 -9.121 8.028 1.00 0.00 H new ATOM 0 HB2 ALA A 38 7.196 -9.743 6.848 1.00 0.00 H new ATOM 0 HB3 ALA A 38 7.080 -7.993 7.153 1.00 0.00 H new ATOM 557 N ILE A 39 3.325 -7.720 5.522 1.00 0.00 N ATOM 558 CA ILE A 39 2.129 -6.952 5.853 1.00 0.00 C ATOM 559 C ILE A 39 1.298 -7.731 6.881 1.00 0.00 C ATOM 560 O ILE A 39 1.335 -8.961 6.902 1.00 0.00 O ATOM 561 CB ILE A 39 1.338 -6.625 4.573 1.00 0.00 C ATOM 562 CG1 ILE A 39 2.177 -5.810 3.573 1.00 0.00 C ATOM 563 CG2 ILE A 39 0.025 -5.887 4.870 1.00 0.00 C ATOM 564 CD1 ILE A 39 2.768 -4.501 4.113 1.00 0.00 C ATOM 0 H ILE A 39 3.241 -8.258 4.659 1.00 0.00 H new ATOM 0 HA ILE A 39 2.403 -5.998 6.304 1.00 0.00 H new ATOM 0 HB ILE A 39 1.093 -7.586 4.121 1.00 0.00 H new ATOM 0 HG12 ILE A 39 2.995 -6.437 3.217 1.00 0.00 H new ATOM 0 HG13 ILE A 39 1.554 -5.577 2.709 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -0.495 -5.679 3.935 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -0.606 -6.508 5.506 1.00 0.00 H new ATOM 0 HG23 ILE A 39 0.242 -4.949 5.380 1.00 0.00 H new ATOM 0 HD11 ILE A 39 3.339 -4.008 3.327 1.00 0.00 H new ATOM 0 HD12 ILE A 39 1.961 -3.845 4.441 1.00 0.00 H new ATOM 0 HD13 ILE A 39 3.424 -4.718 4.956 1.00 0.00 H new ATOM 576 N ASP A 40 0.591 -6.982 7.735 1.00 0.00 N ATOM 577 CA ASP A 40 -0.226 -7.433 8.860 1.00 0.00 C ATOM 578 C ASP A 40 -0.769 -6.167 9.519 1.00 0.00 C ATOM 579 O ASP A 40 -1.942 -5.818 9.447 1.00 0.00 O ATOM 580 CB ASP A 40 0.640 -8.212 9.867 1.00 0.00 C ATOM 581 CG ASP A 40 -0.014 -8.294 11.242 1.00 0.00 C ATOM 582 OD1 ASP A 40 -0.959 -9.097 11.381 1.00 0.00 O ATOM 583 OD2 ASP A 40 0.436 -7.529 12.124 1.00 0.00 O ATOM 0 H ASP A 40 0.576 -5.966 7.648 1.00 0.00 H new ATOM 0 HA ASP A 40 -1.027 -8.094 8.529 1.00 0.00 H new ATOM 0 HB2 ASP A 40 0.817 -9.219 9.489 1.00 0.00 H new ATOM 0 HB3 ASP A 40 1.613 -7.730 9.957 1.00 0.00 H new ATOM 588 N LYS A 41 0.170 -5.438 10.107 1.00 0.00 N ATOM 589 CA LYS A 41 0.022 -4.174 10.778 1.00 0.00 C ATOM 590 C LYS A 41 1.464 -3.705 10.983 1.00 0.00 C ATOM 591 O LYS A 41 2.406 -4.424 10.652 1.00 0.00 O ATOM 592 CB LYS A 41 -0.711 -4.369 12.118 1.00 0.00 C ATOM 593 CG LYS A 41 -1.498 -3.126 12.566 1.00 0.00 C ATOM 594 CD LYS A 41 -1.506 -3.048 14.098 1.00 0.00 C ATOM 595 CE LYS A 41 -2.301 -1.829 14.585 1.00 0.00 C ATOM 596 NZ LYS A 41 -2.266 -1.703 16.058 1.00 0.00 N ATOM 0 H LYS A 41 1.140 -5.754 10.122 1.00 0.00 H new ATOM 0 HA LYS A 41 -0.569 -3.448 10.219 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -1.396 -5.212 12.030 1.00 0.00 H new ATOM 0 HB3 LYS A 41 0.016 -4.627 12.888 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -1.046 -2.227 12.148 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -2.519 -3.174 12.189 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -1.942 -3.958 14.509 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -0.482 -2.990 14.468 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -1.893 -0.925 14.133 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -3.335 -1.913 14.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -2.814 -0.868 16.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -2.678 -2.555 16.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -1.281 -1.597 16.374 1.00 0.00 H new ATOM 610 N LYS A 42 1.634 -2.498 11.515 1.00 0.00 N ATOM 611 CA LYS A 42 2.908 -1.848 11.780 1.00 0.00 C ATOM 612 C LYS A 42 3.641 -1.533 10.475 1.00 0.00 C ATOM 613 O LYS A 42 3.766 -0.360 10.139 1.00 0.00 O ATOM 614 CB LYS A 42 3.755 -2.643 12.792 1.00 0.00 C ATOM 615 CG LYS A 42 4.951 -1.844 13.335 1.00 0.00 C ATOM 616 CD LYS A 42 4.533 -0.783 14.369 1.00 0.00 C ATOM 617 CE LYS A 42 5.761 0.004 14.853 1.00 0.00 C ATOM 618 NZ LYS A 42 5.422 0.980 15.911 1.00 0.00 N ATOM 0 H LYS A 42 0.841 -1.917 11.787 1.00 0.00 H new ATOM 0 HA LYS A 42 2.714 -0.889 12.260 1.00 0.00 H new ATOM 0 HB2 LYS A 42 3.122 -2.950 13.625 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.120 -3.553 12.316 1.00 0.00 H new ATOM 0 HG2 LYS A 42 5.664 -2.530 13.792 1.00 0.00 H new ATOM 0 HG3 LYS A 42 5.464 -1.356 12.506 1.00 0.00 H new ATOM 0 HD2 LYS A 42 3.807 -0.101 13.927 1.00 0.00 H new ATOM 0 HD3 LYS A 42 4.044 -1.264 15.216 1.00 0.00 H new ATOM 0 HE2 LYS A 42 6.510 -0.692 15.231 1.00 0.00 H new ATOM 0 HE3 LYS A 42 6.210 0.528 14.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 6.282 1.486 16.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 4.727 1.662 15.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 5.018 0.480 16.728 1.00 0.00 H new ATOM 632 N SER A 43 4.094 -2.549 9.734 1.00 0.00 N ATOM 633 CA SER A 43 4.828 -2.411 8.483 1.00 0.00 C ATOM 634 C SER A 43 4.108 -1.430 7.557 1.00 0.00 C ATOM 635 O SER A 43 4.619 -0.350 7.267 1.00 0.00 O ATOM 636 CB SER A 43 4.983 -3.795 7.832 1.00 0.00 C ATOM 637 OG SER A 43 5.311 -4.761 8.811 1.00 0.00 O ATOM 0 H SER A 43 3.952 -3.523 10.003 1.00 0.00 H new ATOM 0 HA SER A 43 5.822 -2.009 8.677 1.00 0.00 H new ATOM 0 HB2 SER A 43 4.057 -4.075 7.330 1.00 0.00 H new ATOM 0 HB3 SER A 43 5.761 -3.761 7.069 1.00 0.00 H new ATOM 0 HG SER A 43 5.154 -5.659 8.450 1.00 0.00 H new ATOM 643 N ALA A 44 2.881 -1.799 7.166 1.00 0.00 N ATOM 644 CA ALA A 44 1.932 -0.996 6.403 1.00 0.00 C ATOM 645 C ALA A 44 1.915 0.461 6.875 1.00 0.00 C ATOM 646 O ALA A 44 1.924 1.409 6.097 1.00 0.00 O ATOM 647 CB ALA A 44 0.540 -1.609 6.584 1.00 0.00 C ATOM 0 H ALA A 44 2.508 -2.721 7.390 1.00 0.00 H new ATOM 0 HA ALA A 44 2.229 -0.997 5.354 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.190 -1.026 6.022 1.00 0.00 H new ATOM 0 HB2 ALA A 44 0.544 -2.636 6.218 1.00 0.00 H new ATOM 0 HB3 ALA A 44 0.274 -1.602 7.641 1.00 0.00 H new ATOM 653 N HIS A 45 1.891 0.623 8.189 1.00 0.00 N ATOM 654 CA HIS A 45 1.685 1.885 8.869 1.00 0.00 C ATOM 655 C HIS A 45 2.998 2.604 9.176 1.00 0.00 C ATOM 656 O HIS A 45 2.980 3.603 9.898 1.00 0.00 O ATOM 657 CB HIS A 45 0.918 1.585 10.154 1.00 0.00 C ATOM 658 CG HIS A 45 -0.579 1.553 10.000 1.00 0.00 C ATOM 659 ND1 HIS A 45 -1.437 1.969 10.984 1.00 0.00 N ATOM 660 CD2 HIS A 45 -1.331 1.218 8.894 1.00 0.00 C ATOM 661 CE1 HIS A 45 -2.676 1.875 10.495 1.00 0.00 C ATOM 662 NE2 HIS A 45 -2.677 1.428 9.226 1.00 0.00 N ATOM 0 H HIS A 45 2.020 -0.156 8.834 1.00 0.00 H new ATOM 0 HA HIS A 45 1.122 2.559 8.223 1.00 0.00 H new ATOM 0 HB2 HIS A 45 1.250 0.623 10.543 1.00 0.00 H new ATOM 0 HB3 HIS A 45 1.177 2.337 10.900 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -0.953 0.860 7.948 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -3.568 2.127 11.050 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -3.489 1.274 8.629 1.00 0.00 H new ATOM 670 N LYS A 46 4.114 2.140 8.616 1.00 0.00 N ATOM 671 CA LYS A 46 5.371 2.859 8.671 1.00 0.00 C ATOM 672 C LYS A 46 5.575 3.472 7.290 1.00 0.00 C ATOM 673 O LYS A 46 4.777 4.307 6.877 1.00 0.00 O ATOM 674 CB LYS A 46 6.506 1.945 9.167 1.00 0.00 C ATOM 675 CG LYS A 46 7.744 2.796 9.490 1.00 0.00 C ATOM 676 CD LYS A 46 8.989 1.933 9.728 1.00 0.00 C ATOM 677 CE LYS A 46 10.248 2.789 9.950 1.00 0.00 C ATOM 678 NZ LYS A 46 10.719 3.440 8.707 1.00 0.00 N ATOM 0 H LYS A 46 4.165 1.254 8.113 1.00 0.00 H new ATOM 0 HA LYS A 46 5.367 3.668 9.402 1.00 0.00 H new ATOM 0 HB2 LYS A 46 6.186 1.398 10.054 1.00 0.00 H new ATOM 0 HB3 LYS A 46 6.749 1.204 8.406 1.00 0.00 H new ATOM 0 HG2 LYS A 46 7.933 3.487 8.668 1.00 0.00 H new ATOM 0 HG3 LYS A 46 7.547 3.400 10.375 1.00 0.00 H new ATOM 0 HD2 LYS A 46 8.827 1.294 10.596 1.00 0.00 H new ATOM 0 HD3 LYS A 46 9.144 1.275 8.873 1.00 0.00 H new ATOM 0 HE2 LYS A 46 10.036 3.553 10.698 1.00 0.00 H new ATOM 0 HE3 LYS A 46 11.044 2.161 10.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 11.640 3.892 8.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 10.818 2.726 7.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 10.030 4.160 8.410 1.00 0.00 H new ATOM 692 N ASP A 47 6.621 3.069 6.571 1.00 0.00 N ATOM 693 CA ASP A 47 6.967 3.677 5.302 1.00 0.00 C ATOM 694 C ASP A 47 5.955 3.175 4.281 1.00 0.00 C ATOM 695 O ASP A 47 5.269 3.968 3.633 1.00 0.00 O ATOM 696 CB ASP A 47 8.417 3.328 4.925 1.00 0.00 C ATOM 697 CG ASP A 47 9.361 3.449 6.111 1.00 0.00 C ATOM 698 OD1 ASP A 47 9.384 4.508 6.779 1.00 0.00 O ATOM 699 OD2 ASP A 47 9.986 2.428 6.472 1.00 0.00 O ATOM 0 H ASP A 47 7.246 2.315 6.856 1.00 0.00 H new ATOM 0 HA ASP A 47 6.923 4.765 5.346 1.00 0.00 H new ATOM 0 HB2 ASP A 47 8.455 2.311 4.534 1.00 0.00 H new ATOM 0 HB3 ASP A 47 8.753 3.989 4.126 1.00 0.00 H new ATOM 704 N ALA A 48 5.870 1.839 4.226 1.00 0.00 N ATOM 705 CA ALA A 48 5.044 1.008 3.367 1.00 0.00 C ATOM 706 C ALA A 48 3.858 1.749 2.763 1.00 0.00 C ATOM 707 O ALA A 48 3.888 2.050 1.576 1.00 0.00 O ATOM 708 CB ALA A 48 4.589 -0.225 4.151 1.00 0.00 C ATOM 0 H ALA A 48 6.439 1.265 4.848 1.00 0.00 H new ATOM 0 HA ALA A 48 5.654 0.704 2.517 1.00 0.00 H new ATOM 0 HB1 ALA A 48 3.968 -0.854 3.512 1.00 0.00 H new ATOM 0 HB2 ALA A 48 5.462 -0.790 4.479 1.00 0.00 H new ATOM 0 HB3 ALA A 48 4.013 0.089 5.021 1.00 0.00 H new ATOM 714 N CYS A 49 2.800 2.002 3.539 1.00 0.00 N ATOM 715 CA CYS A 49 1.588 2.584 2.991 1.00 0.00 C ATOM 716 C CYS A 49 1.552 4.103 3.208 1.00 0.00 C ATOM 717 O CYS A 49 1.296 4.855 2.269 1.00 0.00 O ATOM 718 CB CYS A 49 0.332 1.892 3.462 1.00 0.00 C ATOM 719 SG CYS A 49 0.276 0.073 3.347 1.00 0.00 S ATOM 0 H CYS A 49 2.765 1.812 4.541 1.00 0.00 H new ATOM 0 HA CYS A 49 1.615 2.415 1.915 1.00 0.00 H new ATOM 0 HB2 CYS A 49 0.167 2.168 4.503 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -0.506 2.291 2.890 1.00 0.00 H new ATOM 0 HG CYS A 49 -0.867 -0.355 3.794 1.00 0.00 H new ATOM 724 N LYS A 50 1.776 4.566 4.443 1.00 0.00 N ATOM 725 CA LYS A 50 1.668 5.978 4.800 1.00 0.00 C ATOM 726 C LYS A 50 2.383 6.954 3.857 1.00 0.00 C ATOM 727 O LYS A 50 1.834 8.020 3.608 1.00 0.00 O ATOM 728 CB LYS A 50 2.194 6.243 6.214 1.00 0.00 C ATOM 729 CG LYS A 50 1.540 5.378 7.299 1.00 0.00 C ATOM 730 CD LYS A 50 0.795 6.221 8.342 1.00 0.00 C ATOM 731 CE LYS A 50 1.772 6.996 9.243 1.00 0.00 C ATOM 732 NZ LYS A 50 1.068 7.922 10.152 1.00 0.00 N ATOM 0 H LYS A 50 2.039 3.965 5.224 1.00 0.00 H new ATOM 0 HA LYS A 50 0.598 6.169 4.723 1.00 0.00 H new ATOM 0 HB2 LYS A 50 3.270 6.071 6.228 1.00 0.00 H new ATOM 0 HB3 LYS A 50 2.036 7.294 6.458 1.00 0.00 H new ATOM 0 HG2 LYS A 50 0.844 4.680 6.834 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.305 4.782 7.796 1.00 0.00 H new ATOM 0 HD2 LYS A 50 0.130 6.922 7.837 1.00 0.00 H new ATOM 0 HD3 LYS A 50 0.169 5.573 8.955 1.00 0.00 H new ATOM 0 HE2 LYS A 50 2.362 6.291 9.829 1.00 0.00 H new ATOM 0 HE3 LYS A 50 2.470 7.558 8.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 1.762 8.424 10.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 0.525 8.611 9.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.420 7.384 10.762 1.00 0.00 H new ATOM 746 N THR A 51 3.633 6.701 3.456 1.00 0.00 N ATOM 747 CA THR A 51 4.453 7.779 2.899 1.00 0.00 C ATOM 748 C THR A 51 3.991 8.220 1.514 1.00 0.00 C ATOM 749 O THR A 51 3.848 9.418 1.258 1.00 0.00 O ATOM 750 CB THR A 51 5.936 7.393 2.898 1.00 0.00 C ATOM 751 OG1 THR A 51 6.141 6.167 2.226 1.00 0.00 O ATOM 752 CG2 THR A 51 6.477 7.321 4.327 1.00 0.00 C ATOM 0 H THR A 51 4.087 5.789 3.504 1.00 0.00 H new ATOM 0 HA THR A 51 4.323 8.642 3.552 1.00 0.00 H new ATOM 0 HB THR A 51 6.484 8.167 2.361 1.00 0.00 H new ATOM 0 HG1 THR A 51 5.885 5.425 2.813 1.00 0.00 H new ATOM 0 HG21 THR A 51 7.531 7.045 4.303 1.00 0.00 H new ATOM 0 HG22 THR A 51 6.367 8.293 4.807 1.00 0.00 H new ATOM 0 HG23 THR A 51 5.919 6.573 4.890 1.00 0.00 H new ATOM 760 N CYS A 52 3.767 7.253 0.625 1.00 0.00 N ATOM 761 CA CYS A 52 3.141 7.498 -0.663 1.00 0.00 C ATOM 762 C CYS A 52 1.707 7.995 -0.442 1.00 0.00 C ATOM 763 O CYS A 52 1.239 8.108 0.693 1.00 0.00 O ATOM 764 CB CYS A 52 3.186 6.232 -1.480 1.00 0.00 C ATOM 765 SG CYS A 52 4.809 5.989 -2.263 1.00 0.00 S ATOM 0 H CYS A 52 4.017 6.277 0.783 1.00 0.00 H new ATOM 0 HA CYS A 52 3.676 8.271 -1.215 1.00 0.00 H new ATOM 0 HB2 CYS A 52 2.960 5.379 -0.840 1.00 0.00 H new ATOM 0 HB3 CYS A 52 2.414 6.268 -2.248 1.00 0.00 H new ATOM 0 HG CYS A 52 4.798 4.887 -2.952 1.00 0.00 H new ATOM 770 N HIS A 53 0.990 8.303 -1.526 1.00 0.00 N ATOM 771 CA HIS A 53 -0.359 8.866 -1.507 1.00 0.00 C ATOM 772 C HIS A 53 -0.293 10.326 -1.062 1.00 0.00 C ATOM 773 O HIS A 53 -0.491 11.231 -1.876 1.00 0.00 O ATOM 774 CB HIS A 53 -1.347 8.057 -0.642 1.00 0.00 C ATOM 775 CG HIS A 53 -1.148 6.567 -0.705 1.00 0.00 C ATOM 776 ND1 HIS A 53 -0.343 5.839 0.143 1.00 0.00 N ATOM 777 CD2 HIS A 53 -1.517 5.750 -1.737 1.00 0.00 C ATOM 778 CE1 HIS A 53 -0.209 4.618 -0.389 1.00 0.00 C ATOM 779 NE2 HIS A 53 -0.904 4.510 -1.532 1.00 0.00 N ATOM 0 H HIS A 53 1.346 8.162 -2.471 1.00 0.00 H new ATOM 0 HA HIS A 53 -0.753 8.810 -2.522 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -1.254 8.381 0.395 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -2.364 8.290 -0.958 1.00 0.00 H new ATOM 0 HD1 HIS A 53 0.073 6.169 1.014 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -2.164 6.014 -2.560 1.00 0.00 H new ATOM 0 HE1 HIS A 53 0.381 3.824 0.045 1.00 0.00 H new ATOM 787 N LYS A 54 0.046 10.555 0.214 1.00 0.00 N ATOM 788 CA LYS A 54 0.134 11.876 0.828 1.00 0.00 C ATOM 789 C LYS A 54 1.395 12.592 0.348 1.00 0.00 C ATOM 790 O LYS A 54 2.330 12.826 1.115 1.00 0.00 O ATOM 791 CB LYS A 54 0.038 11.787 2.350 1.00 0.00 C ATOM 792 CG LYS A 54 0.941 10.708 2.926 1.00 0.00 C ATOM 793 CD LYS A 54 1.283 11.017 4.388 1.00 0.00 C ATOM 794 CE LYS A 54 2.662 11.675 4.533 1.00 0.00 C ATOM 795 NZ LYS A 54 2.790 12.916 3.744 1.00 0.00 N ATOM 0 H LYS A 54 0.272 9.800 0.862 1.00 0.00 H new ATOM 0 HA LYS A 54 -0.719 12.476 0.511 1.00 0.00 H new ATOM 0 HB2 LYS A 54 0.305 12.750 2.785 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -0.994 11.583 2.635 1.00 0.00 H new ATOM 0 HG2 LYS A 54 0.447 9.739 2.859 1.00 0.00 H new ATOM 0 HG3 LYS A 54 1.857 10.640 2.339 1.00 0.00 H new ATOM 0 HD2 LYS A 54 0.522 11.676 4.806 1.00 0.00 H new ATOM 0 HD3 LYS A 54 1.260 10.094 4.968 1.00 0.00 H new ATOM 0 HE2 LYS A 54 2.844 11.898 5.584 1.00 0.00 H new ATOM 0 HE3 LYS A 54 3.431 10.969 4.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 3.660 13.414 4.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 2.831 12.681 2.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 1.969 13.528 3.924 1.00 0.00 H new ATOM 809 N SER A 55 1.411 12.894 -0.944 1.00 0.00 N ATOM 810 CA SER A 55 2.562 13.297 -1.732 1.00 0.00 C ATOM 811 C SER A 55 2.059 13.573 -3.152 1.00 0.00 C ATOM 812 O SER A 55 2.395 14.592 -3.749 1.00 0.00 O ATOM 813 CB SER A 55 3.624 12.183 -1.720 1.00 0.00 C ATOM 814 OG SER A 55 4.788 12.606 -2.398 1.00 0.00 O ATOM 0 H SER A 55 0.560 12.861 -1.505 1.00 0.00 H new ATOM 0 HA SER A 55 3.031 14.191 -1.322 1.00 0.00 H new ATOM 0 HB2 SER A 55 3.870 11.918 -0.692 1.00 0.00 H new ATOM 0 HB3 SER A 55 3.225 11.286 -2.194 1.00 0.00 H new ATOM 0 HG SER A 55 5.455 11.888 -2.381 1.00 0.00 H new ATOM 820 N ASN A 56 1.213 12.670 -3.669 1.00 0.00 N ATOM 821 CA ASN A 56 0.585 12.802 -4.974 1.00 0.00 C ATOM 822 C ASN A 56 -0.855 13.276 -4.793 1.00 0.00 C ATOM 823 O ASN A 56 -1.197 14.393 -5.171 1.00 0.00 O ATOM 824 CB ASN A 56 0.623 11.457 -5.720 1.00 0.00 C ATOM 825 CG ASN A 56 2.041 10.967 -5.975 1.00 0.00 C ATOM 826 OD1 ASN A 56 2.489 9.999 -5.367 1.00 0.00 O ATOM 827 ND2 ASN A 56 2.770 11.631 -6.868 1.00 0.00 N ATOM 0 H ASN A 56 0.947 11.817 -3.177 1.00 0.00 H new ATOM 0 HA ASN A 56 1.130 13.535 -5.569 1.00 0.00 H new ATOM 0 HB2 ASN A 56 0.083 10.709 -5.139 1.00 0.00 H new ATOM 0 HB3 ASN A 56 0.102 11.559 -6.672 1.00 0.00 H new ATOM 0 HD21 ASN A 56 3.728 11.339 -7.063 1.00 0.00 H new ATOM 0 HD22 ASN A 56 2.371 12.432 -7.358 1.00 0.00 H new ATOM 834 N ASN A 57 -1.695 12.406 -4.227 1.00 0.00 N ATOM 835 CA ASN A 57 -3.151 12.469 -4.194 1.00 0.00 C ATOM 836 C ASN A 57 -3.630 11.092 -3.724 1.00 0.00 C ATOM 837 O ASN A 57 -2.810 10.200 -3.512 1.00 0.00 O ATOM 838 CB ASN A 57 -3.761 12.844 -5.562 1.00 0.00 C ATOM 839 CG ASN A 57 -3.255 11.983 -6.719 1.00 0.00 C ATOM 840 OD1 ASN A 57 -2.281 12.335 -7.378 1.00 0.00 O ATOM 841 ND2 ASN A 57 -3.910 10.863 -7.003 1.00 0.00 N ATOM 0 H ASN A 57 -1.345 11.578 -3.745 1.00 0.00 H new ATOM 0 HA ASN A 57 -3.479 13.257 -3.516 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -4.846 12.755 -5.502 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -3.538 13.890 -5.775 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -3.606 10.278 -7.781 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -4.717 10.588 -6.443 1.00 0.00 H new ATOM 848 N GLY A 58 -4.942 10.922 -3.545 1.00 0.00 N ATOM 849 CA GLY A 58 -5.521 9.681 -3.043 1.00 0.00 C ATOM 850 C GLY A 58 -5.676 9.747 -1.519 1.00 0.00 C ATOM 851 O GLY A 58 -5.978 10.821 -0.997 1.00 0.00 O ATOM 0 H GLY A 58 -5.632 11.646 -3.746 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -6.492 9.510 -3.507 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -4.885 8.838 -3.315 1.00 0.00 H new ATOM 905 N CYS A 62 -6.523 10.249 6.763 1.00 0.00 N ATOM 906 CA CYS A 62 -6.996 8.998 7.338 1.00 0.00 C ATOM 907 C CYS A 62 -8.326 8.557 6.692 1.00 0.00 C ATOM 908 O CYS A 62 -8.768 9.143 5.698 1.00 0.00 O ATOM 909 CB CYS A 62 -6.966 9.066 8.854 1.00 0.00 C ATOM 910 SG CYS A 62 -7.085 7.458 9.714 1.00 0.00 S ATOM 0 HA CYS A 62 -6.314 8.183 7.094 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -6.041 9.555 9.160 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -7.788 9.699 9.189 1.00 0.00 H new ATOM 0 HG CYS A 62 -7.046 7.649 10.999 1.00 0.00 H new ATOM 915 N GLY A 63 -8.925 7.462 7.164 1.00 0.00 N ATOM 916 CA GLY A 63 -9.999 6.785 6.460 1.00 0.00 C ATOM 917 C GLY A 63 -9.472 6.277 5.119 1.00 0.00 C ATOM 918 O GLY A 63 -8.958 5.169 5.058 1.00 0.00 O ATOM 0 H GLY A 63 -8.673 7.023 8.050 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -10.375 5.953 7.056 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -10.834 7.467 6.302 1.00 0.00 H new ATOM 922 N GLY A 64 -9.544 7.140 4.099 1.00 0.00 N ATOM 923 CA GLY A 64 -9.165 6.995 2.697 1.00 0.00 C ATOM 924 C GLY A 64 -8.825 5.574 2.244 1.00 0.00 C ATOM 925 O GLY A 64 -9.564 4.955 1.484 1.00 0.00 O ATOM 0 H GLY A 64 -9.918 8.074 4.264 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -9.982 7.368 2.079 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -8.303 7.634 2.505 1.00 0.00 H new ATOM 929 N CYS A 65 -7.653 5.109 2.670 1.00 0.00 N ATOM 930 CA CYS A 65 -7.044 3.852 2.253 1.00 0.00 C ATOM 931 C CYS A 65 -7.902 2.655 2.672 1.00 0.00 C ATOM 932 O CYS A 65 -8.070 1.695 1.921 1.00 0.00 O ATOM 933 CB CYS A 65 -5.666 3.804 2.854 1.00 0.00 C ATOM 934 SG CYS A 65 -4.764 2.341 2.295 1.00 0.00 S ATOM 0 H CYS A 65 -7.080 5.619 3.342 1.00 0.00 H new ATOM 0 HA CYS A 65 -6.974 3.797 1.167 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -5.114 4.703 2.579 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -5.740 3.796 3.941 1.00 0.00 H new ATOM 0 HG CYS A 65 -3.579 2.331 2.830 1.00 0.00 H new ATOM 939 N HIS A 66 -8.461 2.747 3.879 1.00 0.00 N ATOM 940 CA HIS A 66 -9.428 1.822 4.431 1.00 0.00 C ATOM 941 C HIS A 66 -10.835 2.234 4.015 1.00 0.00 C ATOM 942 O HIS A 66 -11.362 3.253 4.466 1.00 0.00 O ATOM 943 CB HIS A 66 -9.317 1.837 5.953 1.00 0.00 C ATOM 944 CG HIS A 66 -8.068 1.163 6.435 1.00 0.00 C ATOM 945 ND1 HIS A 66 -7.979 -0.160 6.786 1.00 0.00 N ATOM 946 CD2 HIS A 66 -6.877 1.766 6.724 1.00 0.00 C ATOM 947 CE1 HIS A 66 -6.756 -0.348 7.305 1.00 0.00 C ATOM 948 NE2 HIS A 66 -6.050 0.801 7.306 1.00 0.00 N ATOM 0 H HIS A 66 -8.236 3.507 4.521 1.00 0.00 H new ATOM 0 HA HIS A 66 -9.229 0.818 4.056 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -9.331 2.868 6.307 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -10.186 1.340 6.384 1.00 0.00 H new ATOM 0 HD1 HIS A 66 -8.705 -0.867 6.674 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -6.621 2.799 6.537 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -6.386 -1.294 7.673 1.00 0.00 H new ATOM 956 N ILE A 67 -11.473 1.409 3.191 1.00 0.00 N ATOM 957 CA ILE A 67 -12.875 1.560 2.864 1.00 0.00 C ATOM 958 C ILE A 67 -13.683 1.051 4.063 1.00 0.00 C ATOM 959 O ILE A 67 -14.141 -0.094 4.054 1.00 0.00 O ATOM 960 CB ILE A 67 -13.185 0.826 1.546 1.00 0.00 C ATOM 961 CG1 ILE A 67 -12.198 1.181 0.414 1.00 0.00 C ATOM 962 CG2 ILE A 67 -14.630 1.092 1.101 1.00 0.00 C ATOM 963 CD1 ILE A 67 -12.074 2.682 0.128 1.00 0.00 C ATOM 0 H ILE A 67 -11.025 0.616 2.733 1.00 0.00 H new ATOM 0 HA ILE A 67 -13.149 2.601 2.690 1.00 0.00 H new ATOM 0 HB ILE A 67 -13.064 -0.238 1.749 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -11.214 0.790 0.671 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -12.513 0.675 -0.498 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -14.827 0.564 0.168 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -15.318 0.740 1.869 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -14.773 2.162 0.949 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -11.360 2.841 -0.681 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -13.047 3.078 -0.163 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -11.727 3.196 1.024 1.00 0.00 H new ATOM 975 N LYS A 68 -13.821 1.919 5.077 1.00 0.00 N ATOM 976 CA LYS A 68 -14.632 1.814 6.296 1.00 0.00 C ATOM 977 C LYS A 68 -13.737 1.592 7.530 1.00 0.00 C ATOM 978 O LYS A 68 -12.493 1.645 7.408 1.00 0.00 O ATOM 979 CB LYS A 68 -15.771 0.784 6.163 1.00 0.00 C ATOM 980 CG LYS A 68 -16.919 0.965 7.167 1.00 0.00 C ATOM 981 CD LYS A 68 -17.537 -0.408 7.462 1.00 0.00 C ATOM 982 CE LYS A 68 -18.715 -0.287 8.436 1.00 0.00 C ATOM 983 NZ LYS A 68 -19.216 -1.613 8.852 1.00 0.00 N ATOM 984 OXT LYS A 68 -14.269 1.465 8.658 1.00 0.00 O ATOM 0 H LYS A 68 -13.313 2.804 5.059 1.00 0.00 H new ATOM 0 HA LYS A 68 -15.140 2.767 6.445 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -16.177 0.840 5.153 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -15.355 -0.216 6.284 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -16.549 1.418 8.087 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -17.673 1.639 6.761 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -17.876 -0.865 6.532 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -16.779 -1.068 7.884 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -18.404 0.277 9.315 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -19.521 0.276 7.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -20.012 -1.492 9.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -19.536 -2.142 8.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -18.453 -2.140 9.324 1.00 0.00 H new