USER MOD reduce.3.24.130724 H: found=0, std=0, add=493, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 492 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 62 ASN : amide:sc= 1.07 K(o=2.3,f=-14!) USER MOD Set 1.2: A 63 LYS NZ :NH3+ 177:sc= 1.24 (180deg=0) USER MOD Set 2.1: A 35 LYS NZ :NH3+ 162:sc= 2.09 (180deg=0.631) USER MOD Set 2.2: A 52 TYR OH : rot 180:sc= 1.11 USER MOD Set 3.1: A 8 LYS NZ :NH3+ 172:sc= 1.1 (180deg=-0.227) USER MOD Set 3.2: A 32 GLN : amide:sc= 1.64 K(o=2.7,f=-5) USER MOD Set 4.1: A 30 LYS NZ :NH3+ 145:sc= 1.12 (180deg=0) USER MOD Set 4.2: A 31 GLN : amide:sc= 1.05 K(o=2.2,f=-13!) USER MOD Single : A 1 LYS N :NH3+ 178:sc= 1.03 (180deg=1.03) USER MOD Single : A 1 LYS NZ :NH3+ -147:sc= 1.1 (180deg=0.408) USER MOD Single : A 4 TYR OH : rot 180:sc= -0.253 USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.166 USER MOD Single : A 13 LYS NZ :NH3+ -165:sc= 1.12 (180deg=0.347) USER MOD Single : A 14 TYR OH : rot -91:sc= 0.818 USER MOD Single : A 18 LYS NZ :NH3+ -176:sc= 1.18 (180deg=1.02) USER MOD Single : A 22 ASN : amide:sc= -0.651 X(o=-0.65,f=-0.3) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot -144:sc= 1.05 USER MOD Single : A 40 TYR OH : rot -104:sc= 1.11 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot -70:sc= 0.689 USER MOD Single : A 50 HIS : no HD1:sc= -0.54 K(o=-0.54,f=-1.2) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -11.363 -1.314 -0.098 1.00 1.00 N ATOM 2 CA LYS A 1 -10.343 -0.469 0.499 1.00 1.00 C ATOM 3 C LYS A 1 -9.200 -0.274 -0.501 1.00 1.00 C ATOM 4 O LYS A 1 -8.802 -1.215 -1.186 1.00 1.00 O ATOM 5 CB LYS A 1 -9.891 -1.042 1.843 1.00 1.00 C ATOM 6 CG LYS A 1 -9.151 0.013 2.668 1.00 1.00 C ATOM 7 CD LYS A 1 -10.134 0.896 3.438 1.00 1.00 C ATOM 8 CE LYS A 1 -9.524 2.268 3.732 1.00 1.00 C ATOM 9 NZ LYS A 1 -9.862 3.227 2.656 1.00 1.00 N ATOM 0 H1 LYS A 1 -12.125 -1.477 0.590 1.00 1.00 H new ATOM 0 H2 LYS A 1 -11.752 -0.846 -0.941 1.00 1.00 H new ATOM 0 H3 LYS A 1 -10.943 -2.225 -0.371 1.00 1.00 H new ATOM 0 HA LYS A 1 -10.748 0.519 0.720 1.00 1.00 H new ATOM 0 HB2 LYS A 1 -10.757 -1.402 2.399 1.00 1.00 H new ATOM 0 HB3 LYS A 1 -9.240 -1.900 1.676 1.00 1.00 H new ATOM 0 HG2 LYS A 1 -8.473 -0.477 3.367 1.00 1.00 H new ATOM 0 HG3 LYS A 1 -8.540 0.631 2.010 1.00 1.00 H new ATOM 0 HD2 LYS A 1 -11.050 1.018 2.859 1.00 1.00 H new ATOM 0 HD3 LYS A 1 -10.410 0.409 4.373 1.00 1.00 H new ATOM 0 HE2 LYS A 1 -9.894 2.640 4.688 1.00 1.00 H new ATOM 0 HE3 LYS A 1 -8.441 2.180 3.822 1.00 1.00 H new ATOM 0 HZ1 LYS A 1 -9.079 3.900 2.532 1.00 1.00 H new ATOM 0 HZ2 LYS A 1 -10.019 2.710 1.767 1.00 1.00 H new ATOM 0 HZ3 LYS A 1 -10.726 3.746 2.912 1.00 1.00 H new ATOM 25 N GLU A 2 -8.706 0.954 -0.553 1.00 1.00 N ATOM 26 CA GLU A 2 -8.041 1.444 -1.748 1.00 1.00 C ATOM 27 C GLU A 2 -7.091 2.589 -1.396 1.00 1.00 C ATOM 28 O GLU A 2 -6.910 2.913 -0.223 1.00 1.00 O ATOM 29 CB GLU A 2 -9.062 1.881 -2.801 1.00 1.00 C ATOM 30 CG GLU A 2 -10.391 2.267 -2.150 1.00 1.00 C ATOM 31 CD GLU A 2 -10.182 3.318 -1.058 1.00 1.00 C ATOM 32 OE1 GLU A 2 -9.891 4.475 -1.431 1.00 1.00 O ATOM 33 OE2 GLU A 2 -10.318 2.941 0.126 1.00 1.00 O ATOM 0 H GLU A 2 -8.753 1.625 0.214 1.00 1.00 H new ATOM 0 HA GLU A 2 -7.453 0.631 -2.174 1.00 1.00 H new ATOM 0 HB2 GLU A 2 -8.669 2.728 -3.364 1.00 1.00 H new ATOM 0 HB3 GLU A 2 -9.224 1.072 -3.514 1.00 1.00 H new ATOM 0 HG2 GLU A 2 -11.072 2.655 -2.908 1.00 1.00 H new ATOM 0 HG3 GLU A 2 -10.861 1.382 -1.722 1.00 1.00 H new ATOM 40 N GLY A 3 -6.508 3.173 -2.433 1.00 1.00 N ATOM 41 CA GLY A 3 -5.855 4.463 -2.297 1.00 1.00 C ATOM 42 C GLY A 3 -4.794 4.658 -3.381 1.00 1.00 C ATOM 43 O GLY A 3 -4.656 5.749 -3.932 1.00 1.00 O ATOM 0 H GLY A 3 -6.475 2.775 -3.372 1.00 1.00 H new ATOM 0 HA2 GLY A 3 -6.597 5.259 -2.362 1.00 1.00 H new ATOM 0 HA3 GLY A 3 -5.393 4.538 -1.313 1.00 1.00 H new ATOM 47 N TYR A 4 -4.070 3.582 -3.655 1.00 1.00 N ATOM 48 CA TYR A 4 -2.863 3.678 -4.459 1.00 1.00 C ATOM 49 C TYR A 4 -1.989 2.434 -4.286 1.00 1.00 C ATOM 50 O TYR A 4 -1.218 2.339 -3.332 1.00 1.00 O ATOM 51 CB TYR A 4 -2.101 4.897 -3.934 1.00 1.00 C ATOM 52 CG TYR A 4 -1.867 5.984 -4.984 1.00 1.00 C ATOM 53 CD1 TYR A 4 -2.802 6.197 -5.976 1.00 1.00 C ATOM 54 CD2 TYR A 4 -0.722 6.752 -4.938 1.00 1.00 C ATOM 55 CE1 TYR A 4 -2.582 7.222 -6.964 1.00 1.00 C ATOM 56 CE2 TYR A 4 -0.501 7.775 -5.928 1.00 1.00 C ATOM 57 CZ TYR A 4 -1.441 7.959 -6.892 1.00 1.00 C ATOM 58 OH TYR A 4 -1.233 8.926 -7.826 1.00 1.00 O ATOM 0 H TYR A 4 -4.296 2.640 -3.335 1.00 1.00 H new ATOM 0 HA TYR A 4 -3.113 3.764 -5.516 1.00 1.00 H new ATOM 0 HB2 TYR A 4 -2.654 5.326 -3.099 1.00 1.00 H new ATOM 0 HB3 TYR A 4 -1.137 4.570 -3.544 1.00 1.00 H new ATOM 0 HD1 TYR A 4 -3.698 5.596 -6.012 1.00 1.00 H new ATOM 0 HD2 TYR A 4 0.009 6.586 -4.160 1.00 1.00 H new ATOM 0 HE1 TYR A 4 -3.307 7.401 -7.744 1.00 1.00 H new ATOM 0 HE2 TYR A 4 0.392 8.382 -5.905 1.00 1.00 H new ATOM 0 HH TYR A 4 -0.378 9.372 -7.650 1.00 1.00 H new ATOM 68 N LEU A 5 -2.141 1.509 -5.223 1.00 1.00 N ATOM 69 CA LEU A 5 -1.322 0.308 -5.229 1.00 1.00 C ATOM 70 C LEU A 5 0.155 0.703 -5.159 1.00 1.00 C ATOM 71 O LEU A 5 0.559 1.714 -5.732 1.00 1.00 O ATOM 72 CB LEU A 5 -1.666 -0.569 -6.433 1.00 1.00 C ATOM 73 CG LEU A 5 -0.493 -1.303 -7.087 1.00 1.00 C ATOM 74 CD1 LEU A 5 -0.226 -2.639 -6.391 1.00 1.00 C ATOM 75 CD2 LEU A 5 -0.723 -1.475 -8.590 1.00 1.00 C ATOM 0 H LEU A 5 -2.819 1.567 -5.983 1.00 1.00 H new ATOM 0 HA LEU A 5 -1.533 -0.301 -4.350 1.00 1.00 H new ATOM 0 HB2 LEU A 5 -2.402 -1.309 -6.119 1.00 1.00 H new ATOM 0 HB3 LEU A 5 -2.144 0.056 -7.188 1.00 1.00 H new ATOM 0 HG LEU A 5 0.402 -0.693 -6.966 1.00 1.00 H new ATOM 0 HD11 LEU A 5 0.612 -3.140 -6.875 1.00 1.00 H new ATOM 0 HD12 LEU A 5 0.014 -2.462 -5.343 1.00 1.00 H new ATOM 0 HD13 LEU A 5 -1.113 -3.268 -6.459 1.00 1.00 H new ATOM 0 HD21 LEU A 5 0.125 -1.999 -9.030 1.00 1.00 H new ATOM 0 HD22 LEU A 5 -1.632 -2.053 -8.755 1.00 1.00 H new ATOM 0 HD23 LEU A 5 -0.826 -0.495 -9.057 1.00 1.00 H new ATOM 87 N VAL A 6 0.920 -0.114 -4.451 1.00 1.00 N ATOM 88 CA VAL A 6 2.262 0.274 -4.052 1.00 1.00 C ATOM 89 C VAL A 6 3.265 -0.749 -4.587 1.00 1.00 C ATOM 90 O VAL A 6 2.943 -1.927 -4.722 1.00 1.00 O ATOM 91 CB VAL A 6 2.329 0.438 -2.532 1.00 1.00 C ATOM 92 CG1 VAL A 6 1.869 -0.837 -1.823 1.00 1.00 C ATOM 93 CG2 VAL A 6 3.737 0.836 -2.085 1.00 1.00 C ATOM 0 H VAL A 6 0.636 -1.044 -4.143 1.00 1.00 H new ATOM 0 HA VAL A 6 2.523 1.241 -4.482 1.00 1.00 H new ATOM 0 HB VAL A 6 1.649 1.242 -2.251 1.00 1.00 H new ATOM 0 HG11 VAL A 6 1.926 -0.694 -0.744 1.00 1.00 H new ATOM 0 HG12 VAL A 6 0.840 -1.059 -2.106 1.00 1.00 H new ATOM 0 HG13 VAL A 6 2.513 -1.667 -2.114 1.00 1.00 H new ATOM 0 HG21 VAL A 6 3.757 0.946 -1.001 1.00 1.00 H new ATOM 0 HG22 VAL A 6 4.446 0.064 -2.385 1.00 1.00 H new ATOM 0 HG23 VAL A 6 4.013 1.782 -2.551 1.00 1.00 H new ATOM 103 N ASP A 7 4.463 -0.260 -4.879 1.00 1.00 N ATOM 104 CA ASP A 7 5.577 -1.140 -5.182 1.00 1.00 C ATOM 105 C ASP A 7 6.023 -1.850 -3.902 1.00 1.00 C ATOM 106 O ASP A 7 6.430 -1.202 -2.939 1.00 1.00 O ATOM 107 CB ASP A 7 6.770 -0.353 -5.726 1.00 1.00 C ATOM 108 CG ASP A 7 8.038 -1.176 -5.957 1.00 1.00 C ATOM 109 OD1 ASP A 7 8.600 -1.649 -4.945 1.00 1.00 O ATOM 110 OD2 ASP A 7 8.419 -1.314 -7.139 1.00 1.00 O ATOM 0 H ASP A 7 4.685 0.735 -4.912 1.00 1.00 H new ATOM 0 HA ASP A 7 5.245 -1.856 -5.934 1.00 1.00 H new ATOM 0 HB2 ASP A 7 6.480 0.111 -6.669 1.00 1.00 H new ATOM 0 HB3 ASP A 7 7.001 0.454 -5.031 1.00 1.00 H new ATOM 115 N LYS A 8 5.933 -3.172 -3.933 1.00 1.00 N ATOM 116 CA LYS A 8 5.899 -3.949 -2.706 1.00 1.00 C ATOM 117 C LYS A 8 7.317 -4.069 -2.144 1.00 1.00 C ATOM 118 O LYS A 8 7.509 -4.563 -1.034 1.00 1.00 O ATOM 119 CB LYS A 8 5.215 -5.297 -2.944 1.00 1.00 C ATOM 120 CG LYS A 8 3.705 -5.194 -2.717 1.00 1.00 C ATOM 121 CD LYS A 8 3.362 -5.356 -1.234 1.00 1.00 C ATOM 122 CE LYS A 8 1.959 -4.826 -0.936 1.00 1.00 C ATOM 123 NZ LYS A 8 0.963 -5.463 -1.826 1.00 1.00 N ATOM 0 H LYS A 8 5.883 -3.724 -4.789 1.00 1.00 H new ATOM 0 HA LYS A 8 5.298 -3.442 -1.951 1.00 1.00 H new ATOM 0 HB2 LYS A 8 5.411 -5.633 -3.962 1.00 1.00 H new ATOM 0 HB3 LYS A 8 5.637 -6.046 -2.274 1.00 1.00 H new ATOM 0 HG2 LYS A 8 3.345 -4.229 -3.074 1.00 1.00 H new ATOM 0 HG3 LYS A 8 3.193 -5.961 -3.298 1.00 1.00 H new ATOM 0 HD2 LYS A 8 3.424 -6.408 -0.955 1.00 1.00 H new ATOM 0 HD3 LYS A 8 4.093 -4.822 -0.627 1.00 1.00 H new ATOM 0 HE2 LYS A 8 1.703 -5.023 0.105 1.00 1.00 H new ATOM 0 HE3 LYS A 8 1.936 -3.745 -1.071 1.00 1.00 H new ATOM 0 HZ1 LYS A 8 0.005 -5.196 -1.522 1.00 1.00 H new ATOM 0 HZ2 LYS A 8 1.118 -5.145 -2.804 1.00 1.00 H new ATOM 0 HZ3 LYS A 8 1.066 -6.497 -1.778 1.00 1.00 H new ATOM 137 N ASN A 9 8.273 -3.609 -2.937 1.00 1.00 N ATOM 138 CA ASN A 9 9.666 -3.644 -2.525 1.00 1.00 C ATOM 139 C ASN A 9 10.041 -2.301 -1.894 1.00 1.00 C ATOM 140 O ASN A 9 10.135 -2.191 -0.672 1.00 1.00 O ATOM 141 CB ASN A 9 10.589 -3.876 -3.724 1.00 1.00 C ATOM 142 CG ASN A 9 11.052 -5.333 -3.785 1.00 1.00 C ATOM 143 OD1 ASN A 9 12.200 -5.658 -3.532 1.00 1.00 O ATOM 144 ND2 ASN A 9 10.097 -6.190 -4.135 1.00 1.00 N ATOM 0 H ASN A 9 8.111 -3.210 -3.862 1.00 1.00 H new ATOM 0 HA ASN A 9 9.786 -4.460 -1.813 1.00 1.00 H new ATOM 0 HB2 ASN A 9 10.067 -3.618 -4.645 1.00 1.00 H new ATOM 0 HB3 ASN A 9 11.455 -3.218 -3.654 1.00 1.00 H new ATOM 0 HD21 ASN A 9 10.306 -7.186 -4.205 1.00 1.00 H new ATOM 0 HD22 ASN A 9 9.156 -5.851 -4.334 1.00 1.00 H new ATOM 151 N THR A 10 10.245 -1.315 -2.754 1.00 1.00 N ATOM 152 CA THR A 10 10.828 -0.055 -2.325 1.00 1.00 C ATOM 153 C THR A 10 9.732 0.914 -1.877 1.00 1.00 C ATOM 154 O THR A 10 10.007 1.887 -1.177 1.00 1.00 O ATOM 155 CB THR A 10 11.686 0.484 -3.471 1.00 1.00 C ATOM 156 OG1 THR A 10 11.007 0.051 -4.646 1.00 1.00 O ATOM 157 CG2 THR A 10 13.051 -0.202 -3.554 1.00 1.00 C ATOM 0 H THR A 10 10.017 -1.363 -3.747 1.00 1.00 H new ATOM 0 HA THR A 10 11.472 -0.192 -1.456 1.00 1.00 H new ATOM 0 HB THR A 10 11.827 1.557 -3.345 1.00 1.00 H new ATOM 0 HG1 THR A 10 11.495 0.359 -5.438 1.00 1.00 H new ATOM 0 HG21 THR A 10 13.619 0.218 -4.384 1.00 1.00 H new ATOM 0 HG22 THR A 10 13.596 -0.042 -2.624 1.00 1.00 H new ATOM 0 HG23 THR A 10 12.912 -1.271 -3.714 1.00 1.00 H new ATOM 165 N GLY A 11 8.512 0.614 -2.300 1.00 1.00 N ATOM 166 CA GLY A 11 7.412 1.549 -2.134 1.00 1.00 C ATOM 167 C GLY A 11 7.688 2.857 -2.876 1.00 1.00 C ATOM 168 O GLY A 11 7.368 3.936 -2.379 1.00 1.00 O ATOM 0 H GLY A 11 8.262 -0.263 -2.757 1.00 1.00 H new ATOM 0 HA2 GLY A 11 6.491 1.102 -2.508 1.00 1.00 H new ATOM 0 HA3 GLY A 11 7.260 1.753 -1.074 1.00 1.00 H new ATOM 172 N CYS A 12 8.279 2.720 -4.054 1.00 1.00 N ATOM 173 CA CYS A 12 8.657 3.881 -4.842 1.00 1.00 C ATOM 174 C CYS A 12 7.612 4.074 -5.944 1.00 1.00 C ATOM 175 O CYS A 12 6.616 3.354 -5.993 1.00 1.00 O ATOM 176 CB CYS A 12 10.069 3.742 -5.414 1.00 1.00 C ATOM 177 SG CYS A 12 11.231 5.064 -4.916 1.00 1.00 S ATOM 0 H CYS A 12 8.505 1.822 -4.482 1.00 1.00 H new ATOM 0 HA CYS A 12 8.680 4.764 -4.204 1.00 1.00 H new ATOM 0 HB2 CYS A 12 10.479 2.781 -5.103 1.00 1.00 H new ATOM 0 HB3 CYS A 12 10.005 3.724 -6.502 1.00 1.00 H new ATOM 182 N LYS A 13 7.875 5.050 -6.800 1.00 1.00 N ATOM 183 CA LYS A 13 7.021 5.286 -7.951 1.00 1.00 C ATOM 184 C LYS A 13 6.932 4.006 -8.786 1.00 1.00 C ATOM 185 O LYS A 13 7.831 3.168 -8.742 1.00 1.00 O ATOM 186 CB LYS A 13 7.509 6.502 -8.740 1.00 1.00 C ATOM 187 CG LYS A 13 8.823 6.196 -9.462 1.00 1.00 C ATOM 188 CD LYS A 13 9.442 7.471 -10.039 1.00 1.00 C ATOM 189 CE LYS A 13 8.799 7.835 -11.379 1.00 1.00 C ATOM 190 NZ LYS A 13 9.247 6.903 -12.438 1.00 1.00 N ATOM 0 H LYS A 13 8.668 5.687 -6.719 1.00 1.00 H new ATOM 0 HA LYS A 13 6.008 5.529 -7.630 1.00 1.00 H new ATOM 0 HB2 LYS A 13 6.751 6.797 -9.466 1.00 1.00 H new ATOM 0 HB3 LYS A 13 7.649 7.346 -8.065 1.00 1.00 H new ATOM 0 HG2 LYS A 13 9.523 5.729 -8.769 1.00 1.00 H new ATOM 0 HG3 LYS A 13 8.643 5.480 -10.264 1.00 1.00 H new ATOM 0 HD2 LYS A 13 9.313 8.293 -9.335 1.00 1.00 H new ATOM 0 HD3 LYS A 13 10.515 7.331 -10.173 1.00 1.00 H new ATOM 0 HE2 LYS A 13 7.713 7.799 -11.290 1.00 1.00 H new ATOM 0 HE3 LYS A 13 9.063 8.857 -11.650 1.00 1.00 H new ATOM 0 HZ1 LYS A 13 9.016 7.301 -13.371 1.00 1.00 H new ATOM 0 HZ2 LYS A 13 10.275 6.764 -12.366 1.00 1.00 H new ATOM 0 HZ3 LYS A 13 8.765 5.989 -12.322 1.00 1.00 H new ATOM 204 N TYR A 14 5.839 3.896 -9.527 1.00 1.00 N ATOM 205 CA TYR A 14 5.702 2.830 -10.505 1.00 1.00 C ATOM 206 C TYR A 14 5.356 3.392 -11.884 1.00 1.00 C ATOM 207 O TYR A 14 5.913 2.962 -12.893 1.00 1.00 O ATOM 208 CB TYR A 14 4.544 1.956 -10.017 1.00 1.00 C ATOM 209 CG TYR A 14 3.767 2.553 -8.841 1.00 1.00 C ATOM 210 CD1 TYR A 14 4.265 2.443 -7.559 1.00 1.00 C ATOM 211 CD2 TYR A 14 2.568 3.200 -9.064 1.00 1.00 C ATOM 212 CE1 TYR A 14 3.534 3.005 -6.453 1.00 1.00 C ATOM 213 CE2 TYR A 14 1.837 3.761 -7.957 1.00 1.00 C ATOM 214 CZ TYR A 14 2.357 3.635 -6.706 1.00 1.00 C ATOM 215 OH TYR A 14 1.666 4.165 -5.660 1.00 1.00 O ATOM 0 H TYR A 14 5.040 4.528 -9.470 1.00 1.00 H new ATOM 0 HA TYR A 14 6.635 2.274 -10.599 1.00 1.00 H new ATOM 0 HB2 TYR A 14 3.856 1.786 -10.845 1.00 1.00 H new ATOM 0 HB3 TYR A 14 4.936 0.982 -9.724 1.00 1.00 H new ATOM 0 HD1 TYR A 14 5.202 1.936 -7.385 1.00 1.00 H new ATOM 0 HD2 TYR A 14 2.178 3.285 -10.068 1.00 1.00 H new ATOM 0 HE1 TYR A 14 3.913 2.927 -5.445 1.00 1.00 H new ATOM 0 HE2 TYR A 14 0.898 4.270 -8.116 1.00 1.00 H new ATOM 0 HH TYR A 14 1.035 3.500 -5.314 1.00 1.00 H new ATOM 225 N GLU A 15 4.435 4.347 -11.885 1.00 1.00 N ATOM 226 CA GLU A 15 4.355 5.307 -12.973 1.00 1.00 C ATOM 227 C GLU A 15 3.948 4.607 -14.270 1.00 1.00 C ATOM 228 O GLU A 15 4.802 4.212 -15.062 1.00 1.00 O ATOM 229 CB GLU A 15 5.680 6.053 -13.144 1.00 1.00 C ATOM 230 CG GLU A 15 5.465 7.397 -13.842 1.00 1.00 C ATOM 231 CD GLU A 15 6.774 8.184 -13.932 1.00 1.00 C ATOM 232 OE1 GLU A 15 7.740 7.616 -14.487 1.00 1.00 O ATOM 233 OE2 GLU A 15 6.780 9.334 -13.444 1.00 1.00 O ATOM 0 H GLU A 15 3.739 4.475 -11.150 1.00 1.00 H new ATOM 0 HA GLU A 15 3.590 6.044 -12.726 1.00 1.00 H new ATOM 0 HB2 GLU A 15 6.139 6.215 -12.169 1.00 1.00 H new ATOM 0 HB3 GLU A 15 6.372 5.444 -13.725 1.00 1.00 H new ATOM 0 HG2 GLU A 15 5.067 7.231 -14.843 1.00 1.00 H new ATOM 0 HG3 GLU A 15 4.723 7.980 -13.296 1.00 1.00 H new ATOM 240 N CYS A 16 2.642 4.473 -14.449 1.00 1.00 N ATOM 241 CA CYS A 16 2.113 3.749 -15.591 1.00 1.00 C ATOM 242 C CYS A 16 2.296 4.617 -16.838 1.00 1.00 C ATOM 243 O CYS A 16 2.378 4.102 -17.951 1.00 1.00 O ATOM 244 CB CYS A 16 0.649 3.353 -15.382 1.00 1.00 C ATOM 245 SG CYS A 16 -0.414 4.676 -14.699 1.00 1.00 S ATOM 0 H CYS A 16 1.934 4.854 -13.821 1.00 1.00 H new ATOM 0 HA CYS A 16 2.660 2.814 -15.716 1.00 1.00 H new ATOM 0 HB2 CYS A 16 0.235 3.030 -16.337 1.00 1.00 H new ATOM 0 HB3 CYS A 16 0.612 2.494 -14.712 1.00 1.00 H new ATOM 250 N LEU A 17 2.356 5.920 -16.609 1.00 1.00 N ATOM 251 CA LEU A 17 2.369 6.874 -17.704 1.00 1.00 C ATOM 252 C LEU A 17 1.060 6.761 -18.489 1.00 1.00 C ATOM 253 O LEU A 17 0.362 5.754 -18.396 1.00 1.00 O ATOM 254 CB LEU A 17 3.620 6.683 -18.564 1.00 1.00 C ATOM 255 CG LEU A 17 4.959 6.780 -17.830 1.00 1.00 C ATOM 256 CD1 LEU A 17 6.081 6.139 -18.650 1.00 1.00 C ATOM 257 CD2 LEU A 17 5.277 8.229 -17.459 1.00 1.00 C ATOM 0 H LEU A 17 2.396 6.338 -15.679 1.00 1.00 H new ATOM 0 HA LEU A 17 2.425 7.893 -17.322 1.00 1.00 H new ATOM 0 HB2 LEU A 17 3.561 5.706 -19.044 1.00 1.00 H new ATOM 0 HB3 LEU A 17 3.608 7.430 -19.358 1.00 1.00 H new ATOM 0 HG LEU A 17 4.880 6.219 -16.899 1.00 1.00 H new ATOM 0 HD11 LEU A 17 7.022 6.221 -18.106 1.00 1.00 H new ATOM 0 HD12 LEU A 17 5.852 5.087 -18.821 1.00 1.00 H new ATOM 0 HD13 LEU A 17 6.170 6.651 -19.608 1.00 1.00 H new ATOM 0 HD21 LEU A 17 6.234 8.270 -16.938 1.00 1.00 H new ATOM 0 HD22 LEU A 17 5.331 8.833 -18.365 1.00 1.00 H new ATOM 0 HD23 LEU A 17 4.493 8.619 -16.809 1.00 1.00 H new ATOM 269 N LYS A 18 0.770 7.809 -19.246 1.00 1.00 N ATOM 270 CA LYS A 18 -0.341 7.770 -20.183 1.00 1.00 C ATOM 271 C LYS A 18 -1.626 7.418 -19.430 1.00 1.00 C ATOM 272 O LYS A 18 -2.125 6.299 -19.537 1.00 1.00 O ATOM 273 CB LYS A 18 -0.029 6.824 -21.344 1.00 1.00 C ATOM 274 CG LYS A 18 -1.003 7.038 -22.503 1.00 1.00 C ATOM 275 CD LYS A 18 -0.631 6.163 -23.702 1.00 1.00 C ATOM 276 CE LYS A 18 -1.693 6.257 -24.800 1.00 1.00 C ATOM 277 NZ LYS A 18 -2.841 5.378 -24.486 1.00 1.00 N ATOM 0 H LYS A 18 1.284 8.690 -19.230 1.00 1.00 H new ATOM 0 HA LYS A 18 -0.494 8.751 -20.634 1.00 1.00 H new ATOM 0 HB2 LYS A 18 0.992 6.989 -21.688 1.00 1.00 H new ATOM 0 HB3 LYS A 18 -0.087 5.791 -21.002 1.00 1.00 H new ATOM 0 HG2 LYS A 18 -2.017 6.804 -22.178 1.00 1.00 H new ATOM 0 HG3 LYS A 18 -0.997 8.087 -22.798 1.00 1.00 H new ATOM 0 HD2 LYS A 18 0.335 6.475 -24.098 1.00 1.00 H new ATOM 0 HD3 LYS A 18 -0.525 5.127 -23.381 1.00 1.00 H new ATOM 0 HE2 LYS A 18 -2.033 7.288 -24.898 1.00 1.00 H new ATOM 0 HE3 LYS A 18 -1.260 5.971 -25.759 1.00 1.00 H new ATOM 0 HZ1 LYS A 18 -3.521 5.401 -25.272 1.00 1.00 H new ATOM 0 HZ2 LYS A 18 -2.505 4.404 -24.348 1.00 1.00 H new ATOM 0 HZ3 LYS A 18 -3.305 5.710 -23.617 1.00 1.00 H new ATOM 291 N LEU A 19 -2.125 8.394 -18.687 1.00 1.00 N ATOM 292 CA LEU A 19 -3.283 8.171 -17.839 1.00 1.00 C ATOM 293 C LEU A 19 -4.446 7.666 -18.694 1.00 1.00 C ATOM 294 O LEU A 19 -4.615 8.095 -19.833 1.00 1.00 O ATOM 295 CB LEU A 19 -3.611 9.433 -17.037 1.00 1.00 C ATOM 296 CG LEU A 19 -4.080 10.641 -17.852 1.00 1.00 C ATOM 297 CD1 LEU A 19 -5.598 10.808 -17.759 1.00 1.00 C ATOM 298 CD2 LEU A 19 -3.338 11.910 -17.428 1.00 1.00 C ATOM 0 H LEU A 19 -1.749 9.341 -18.655 1.00 1.00 H new ATOM 0 HA LEU A 19 -3.071 7.398 -17.100 1.00 1.00 H new ATOM 0 HB2 LEU A 19 -4.385 9.187 -16.310 1.00 1.00 H new ATOM 0 HB3 LEU A 19 -2.724 9.722 -16.473 1.00 1.00 H new ATOM 0 HG LEU A 19 -3.838 10.461 -18.900 1.00 1.00 H new ATOM 0 HD11 LEU A 19 -5.906 11.673 -18.347 1.00 1.00 H new ATOM 0 HD12 LEU A 19 -6.087 9.914 -18.146 1.00 1.00 H new ATOM 0 HD13 LEU A 19 -5.885 10.956 -16.718 1.00 1.00 H new ATOM 0 HD21 LEU A 19 -3.690 12.753 -18.022 1.00 1.00 H new ATOM 0 HD22 LEU A 19 -3.527 12.106 -16.373 1.00 1.00 H new ATOM 0 HD23 LEU A 19 -2.268 11.776 -17.587 1.00 1.00 H new ATOM 310 N GLY A 20 -5.218 6.761 -18.110 1.00 1.00 N ATOM 311 CA GLY A 20 -6.302 6.121 -18.836 1.00 1.00 C ATOM 312 C GLY A 20 -6.005 4.638 -19.071 1.00 1.00 C ATOM 313 O GLY A 20 -6.870 3.788 -18.866 1.00 1.00 O ATOM 0 H GLY A 20 -5.114 6.456 -17.142 1.00 1.00 H new ATOM 0 HA2 GLY A 20 -7.231 6.225 -18.275 1.00 1.00 H new ATOM 0 HA3 GLY A 20 -6.449 6.622 -19.793 1.00 1.00 H new ATOM 317 N ASP A 21 -4.779 4.374 -19.498 1.00 1.00 N ATOM 318 CA ASP A 21 -4.422 3.048 -19.975 1.00 1.00 C ATOM 319 C ASP A 21 -4.355 2.085 -18.788 1.00 1.00 C ATOM 320 O ASP A 21 -3.295 1.907 -18.190 1.00 1.00 O ATOM 321 CB ASP A 21 -3.053 3.057 -20.656 1.00 1.00 C ATOM 322 CG ASP A 21 -2.995 3.819 -21.981 1.00 1.00 C ATOM 323 OD1 ASP A 21 -3.652 4.880 -22.055 1.00 1.00 O ATOM 324 OD2 ASP A 21 -2.294 3.324 -22.890 1.00 1.00 O ATOM 0 H ASP A 21 -4.020 5.055 -19.524 1.00 1.00 H new ATOM 0 HA ASP A 21 -5.179 2.733 -20.694 1.00 1.00 H new ATOM 0 HB2 ASP A 21 -2.326 3.494 -19.971 1.00 1.00 H new ATOM 0 HB3 ASP A 21 -2.745 2.026 -20.833 1.00 1.00 H new ATOM 329 N ASN A 22 -5.498 1.490 -18.483 1.00 1.00 N ATOM 330 CA ASN A 22 -5.609 0.637 -17.312 1.00 1.00 C ATOM 331 C ASN A 22 -5.271 -0.804 -17.702 1.00 1.00 C ATOM 332 O ASN A 22 -6.100 -1.700 -17.559 1.00 1.00 O ATOM 333 CB ASN A 22 -7.032 0.653 -16.752 1.00 1.00 C ATOM 334 CG ASN A 22 -8.060 0.407 -17.858 1.00 1.00 C ATOM 335 OD1 ASN A 22 -8.476 -0.709 -18.118 1.00 1.00 O ATOM 336 ND2 ASN A 22 -8.445 1.511 -18.493 1.00 1.00 N ATOM 0 H ASN A 22 -6.356 1.582 -19.027 1.00 1.00 H new ATOM 0 HA ASN A 22 -4.919 1.012 -16.556 1.00 1.00 H new ATOM 0 HB2 ASN A 22 -7.132 -0.111 -15.981 1.00 1.00 H new ATOM 0 HB3 ASN A 22 -7.228 1.613 -16.275 1.00 1.00 H new ATOM 0 HD21 ASN A 22 -9.129 1.453 -19.248 1.00 1.00 H new ATOM 0 HD22 ASN A 22 -8.057 2.415 -18.225 1.00 1.00 H new ATOM 343 N ASP A 23 -4.050 -0.980 -18.186 1.00 1.00 N ATOM 344 CA ASP A 23 -3.573 -2.304 -18.547 1.00 1.00 C ATOM 345 C ASP A 23 -2.584 -2.792 -17.486 1.00 1.00 C ATOM 346 O ASP A 23 -2.872 -3.732 -16.747 1.00 1.00 O ATOM 347 CB ASP A 23 -2.848 -2.281 -19.894 1.00 1.00 C ATOM 348 CG ASP A 23 -2.005 -3.522 -20.196 1.00 1.00 C ATOM 349 OD1 ASP A 23 -2.620 -4.596 -20.375 1.00 1.00 O ATOM 350 OD2 ASP A 23 -0.766 -3.368 -20.243 1.00 1.00 O ATOM 0 H ASP A 23 -3.377 -0.228 -18.336 1.00 1.00 H new ATOM 0 HA ASP A 23 -4.436 -2.966 -18.614 1.00 1.00 H new ATOM 0 HB2 ASP A 23 -3.588 -2.161 -20.686 1.00 1.00 H new ATOM 0 HB3 ASP A 23 -2.201 -1.404 -19.927 1.00 1.00 H new ATOM 355 N TYR A 24 -1.437 -2.129 -17.444 1.00 1.00 N ATOM 356 CA TYR A 24 -0.341 -2.583 -16.605 1.00 1.00 C ATOM 357 C TYR A 24 -0.684 -2.426 -15.123 1.00 1.00 C ATOM 358 O TYR A 24 -0.174 -3.163 -14.281 1.00 1.00 O ATOM 359 CB TYR A 24 0.848 -1.680 -16.939 1.00 1.00 C ATOM 360 CG TYR A 24 1.333 -1.799 -18.385 1.00 1.00 C ATOM 361 CD1 TYR A 24 1.985 -2.941 -18.803 1.00 1.00 C ATOM 362 CD2 TYR A 24 1.116 -0.765 -19.273 1.00 1.00 C ATOM 363 CE1 TYR A 24 2.441 -3.054 -20.164 1.00 1.00 C ATOM 364 CE2 TYR A 24 1.572 -0.877 -20.635 1.00 1.00 C ATOM 365 CZ TYR A 24 2.212 -2.016 -21.013 1.00 1.00 C ATOM 366 OH TYR A 24 2.643 -2.122 -22.299 1.00 1.00 O ATOM 0 H TYR A 24 -1.243 -1.281 -17.977 1.00 1.00 H new ATOM 0 HA TYR A 24 -0.130 -3.637 -16.787 1.00 1.00 H new ATOM 0 HB2 TYR A 24 0.570 -0.644 -16.744 1.00 1.00 H new ATOM 0 HB3 TYR A 24 1.673 -1.921 -16.269 1.00 1.00 H new ATOM 0 HD1 TYR A 24 2.153 -3.751 -18.109 1.00 1.00 H new ATOM 0 HD2 TYR A 24 0.604 0.128 -18.947 1.00 1.00 H new ATOM 0 HE1 TYR A 24 2.953 -3.942 -20.503 1.00 1.00 H new ATOM 0 HE2 TYR A 24 1.409 -0.075 -21.340 1.00 1.00 H new ATOM 0 HH TYR A 24 2.410 -1.307 -22.790 1.00 1.00 H new ATOM 376 N CYS A 25 -1.547 -1.458 -14.847 1.00 1.00 N ATOM 377 CA CYS A 25 -2.052 -1.267 -13.498 1.00 1.00 C ATOM 378 C CYS A 25 -2.917 -2.475 -13.133 1.00 1.00 C ATOM 379 O CYS A 25 -2.833 -2.989 -12.018 1.00 1.00 O ATOM 380 CB CYS A 25 -2.822 0.048 -13.363 1.00 1.00 C ATOM 381 SG CYS A 25 -1.801 1.557 -13.535 1.00 1.00 S ATOM 0 H CYS A 25 -1.909 -0.798 -15.535 1.00 1.00 H new ATOM 0 HA CYS A 25 -1.217 -1.196 -12.801 1.00 1.00 H new ATOM 0 HB2 CYS A 25 -3.609 0.071 -14.117 1.00 1.00 H new ATOM 0 HB3 CYS A 25 -3.312 0.067 -12.390 1.00 1.00 H new ATOM 386 N LEU A 26 -3.729 -2.894 -14.094 1.00 1.00 N ATOM 387 CA LEU A 26 -4.600 -4.038 -13.892 1.00 1.00 C ATOM 388 C LEU A 26 -3.748 -5.296 -13.711 1.00 1.00 C ATOM 389 O LEU A 26 -4.032 -6.123 -12.845 1.00 1.00 O ATOM 390 CB LEU A 26 -5.619 -4.143 -15.028 1.00 1.00 C ATOM 391 CG LEU A 26 -7.082 -4.297 -14.604 1.00 1.00 C ATOM 392 CD1 LEU A 26 -8.017 -4.159 -15.807 1.00 1.00 C ATOM 393 CD2 LEU A 26 -7.299 -5.615 -13.858 1.00 1.00 C ATOM 0 H LEU A 26 -3.801 -2.461 -15.015 1.00 1.00 H new ATOM 0 HA LEU A 26 -5.185 -3.915 -12.981 1.00 1.00 H new ATOM 0 HB2 LEU A 26 -5.533 -3.252 -15.650 1.00 1.00 H new ATOM 0 HB3 LEU A 26 -5.351 -4.995 -15.653 1.00 1.00 H new ATOM 0 HG LEU A 26 -7.326 -3.491 -13.912 1.00 1.00 H new ATOM 0 HD11 LEU A 26 -9.050 -4.272 -15.479 1.00 1.00 H new ATOM 0 HD12 LEU A 26 -7.885 -3.176 -16.259 1.00 1.00 H new ATOM 0 HD13 LEU A 26 -7.782 -4.930 -16.541 1.00 1.00 H new ATOM 0 HD21 LEU A 26 -8.346 -5.701 -13.568 1.00 1.00 H new ATOM 0 HD22 LEU A 26 -7.033 -6.449 -14.508 1.00 1.00 H new ATOM 0 HD23 LEU A 26 -6.672 -5.636 -12.966 1.00 1.00 H new ATOM 405 N ARG A 27 -2.723 -5.402 -14.543 1.00 1.00 N ATOM 406 CA ARG A 27 -1.847 -6.561 -14.507 1.00 1.00 C ATOM 407 C ARG A 27 -1.204 -6.698 -13.126 1.00 1.00 C ATOM 408 O ARG A 27 -1.191 -7.783 -12.548 1.00 1.00 O ATOM 409 CB ARG A 27 -0.748 -6.453 -15.566 1.00 1.00 C ATOM 410 CG ARG A 27 -1.309 -6.704 -16.966 1.00 1.00 C ATOM 411 CD ARG A 27 -0.204 -6.631 -18.022 1.00 1.00 C ATOM 412 NE ARG A 27 -0.782 -6.271 -19.337 1.00 1.00 N ATOM 413 CZ ARG A 27 -0.090 -6.260 -20.484 1.00 1.00 C ATOM 414 NH1 ARG A 27 1.219 -6.549 -20.480 1.00 1.00 N ATOM 415 NH2 ARG A 27 -0.706 -5.960 -21.635 1.00 1.00 N ATOM 0 H ARG A 27 -2.479 -4.705 -15.246 1.00 1.00 H new ATOM 0 HA ARG A 27 -2.453 -7.442 -14.717 1.00 1.00 H new ATOM 0 HB2 ARG A 27 -0.294 -5.463 -15.524 1.00 1.00 H new ATOM 0 HB3 ARG A 27 0.041 -7.174 -15.352 1.00 1.00 H new ATOM 0 HG2 ARG A 27 -1.785 -7.684 -17.000 1.00 1.00 H new ATOM 0 HG3 ARG A 27 -2.080 -5.967 -17.190 1.00 1.00 H new ATOM 0 HD2 ARG A 27 0.542 -5.892 -17.729 1.00 1.00 H new ATOM 0 HD3 ARG A 27 0.308 -7.591 -18.091 1.00 1.00 H new ATOM 0 HE ARG A 27 -1.769 -6.015 -19.372 1.00 1.00 H new ATOM 0 HH11 ARG A 27 1.688 -6.777 -19.604 1.00 1.00 H new ATOM 0 HH12 ARG A 27 1.746 -6.541 -21.353 1.00 1.00 H new ATOM 0 HH21 ARG A 27 -1.702 -5.740 -21.638 1.00 1.00 H new ATOM 0 HH22 ARG A 27 -0.179 -5.952 -22.508 1.00 1.00 H new ATOM 429 N GLU A 28 -0.684 -5.582 -12.637 1.00 1.00 N ATOM 430 CA GLU A 28 -0.091 -5.550 -11.311 1.00 1.00 C ATOM 431 C GLU A 28 -1.137 -5.912 -10.254 1.00 1.00 C ATOM 432 O GLU A 28 -0.929 -6.824 -9.456 1.00 1.00 O ATOM 433 CB GLU A 28 0.531 -4.183 -11.021 1.00 1.00 C ATOM 434 CG GLU A 28 1.475 -4.254 -9.818 1.00 1.00 C ATOM 435 CD GLU A 28 2.526 -5.350 -10.010 1.00 1.00 C ATOM 436 OE1 GLU A 28 3.292 -5.237 -10.991 1.00 1.00 O ATOM 437 OE2 GLU A 28 2.539 -6.276 -9.172 1.00 1.00 O ATOM 0 H GLU A 28 -0.661 -4.693 -13.136 1.00 1.00 H new ATOM 0 HA GLU A 28 0.708 -6.291 -11.273 1.00 1.00 H new ATOM 0 HB2 GLU A 28 1.078 -3.835 -11.897 1.00 1.00 H new ATOM 0 HB3 GLU A 28 -0.257 -3.455 -10.827 1.00 1.00 H new ATOM 0 HG2 GLU A 28 1.969 -3.292 -9.681 1.00 1.00 H new ATOM 0 HG3 GLU A 28 0.901 -4.450 -8.912 1.00 1.00 H new ATOM 444 N CYS A 29 -2.240 -5.177 -10.282 1.00 1.00 N ATOM 445 CA CYS A 29 -3.296 -5.373 -9.303 1.00 1.00 C ATOM 446 C CYS A 29 -3.681 -6.854 -9.304 1.00 1.00 C ATOM 447 O CYS A 29 -3.991 -7.419 -8.255 1.00 1.00 O ATOM 448 CB CYS A 29 -4.499 -4.471 -9.581 1.00 1.00 C ATOM 449 SG CYS A 29 -5.343 -3.835 -8.086 1.00 1.00 S ATOM 0 H CYS A 29 -2.425 -4.445 -10.968 1.00 1.00 H new ATOM 0 HA CYS A 29 -2.936 -5.092 -8.313 1.00 1.00 H new ATOM 0 HB2 CYS A 29 -4.169 -3.624 -10.183 1.00 1.00 H new ATOM 0 HB3 CYS A 29 -5.221 -5.026 -10.180 1.00 1.00 H new ATOM 454 N LYS A 30 -3.648 -7.441 -10.490 1.00 1.00 N ATOM 455 CA LYS A 30 -4.016 -8.839 -10.645 1.00 1.00 C ATOM 456 C LYS A 30 -3.067 -9.706 -9.816 1.00 1.00 C ATOM 457 O LYS A 30 -3.501 -10.418 -8.912 1.00 1.00 O ATOM 458 CB LYS A 30 -4.063 -9.219 -12.126 1.00 1.00 C ATOM 459 CG LYS A 30 -4.860 -10.509 -12.336 1.00 1.00 C ATOM 460 CD LYS A 30 -3.946 -11.735 -12.272 1.00 1.00 C ATOM 461 CE LYS A 30 -3.119 -11.868 -13.552 1.00 1.00 C ATOM 462 NZ LYS A 30 -2.385 -13.153 -13.563 1.00 1.00 N ATOM 0 H LYS A 30 -3.372 -6.975 -11.354 1.00 1.00 H new ATOM 0 HA LYS A 30 -5.022 -9.014 -10.264 1.00 1.00 H new ATOM 0 HB2 LYS A 30 -4.516 -8.410 -12.699 1.00 1.00 H new ATOM 0 HB3 LYS A 30 -3.049 -9.348 -12.504 1.00 1.00 H new ATOM 0 HG2 LYS A 30 -5.636 -10.589 -11.575 1.00 1.00 H new ATOM 0 HG3 LYS A 30 -5.364 -10.476 -13.302 1.00 1.00 H new ATOM 0 HD2 LYS A 30 -3.281 -11.653 -11.412 1.00 1.00 H new ATOM 0 HD3 LYS A 30 -4.546 -12.633 -12.127 1.00 1.00 H new ATOM 0 HE2 LYS A 30 -3.773 -11.808 -14.422 1.00 1.00 H new ATOM 0 HE3 LYS A 30 -2.415 -11.039 -13.625 1.00 1.00 H new ATOM 0 HZ1 LYS A 30 -2.334 -13.515 -14.537 1.00 1.00 H new ATOM 0 HZ2 LYS A 30 -1.423 -13.006 -13.197 1.00 1.00 H new ATOM 0 HZ3 LYS A 30 -2.882 -13.842 -12.963 1.00 1.00 H new ATOM 476 N GLN A 31 -1.789 -9.618 -10.153 1.00 1.00 N ATOM 477 CA GLN A 31 -0.806 -10.540 -9.610 1.00 1.00 C ATOM 478 C GLN A 31 -0.188 -9.967 -8.334 1.00 1.00 C ATOM 479 O GLN A 31 1.027 -10.011 -8.153 1.00 1.00 O ATOM 480 CB GLN A 31 0.273 -10.862 -10.645 1.00 1.00 C ATOM 481 CG GLN A 31 0.320 -12.362 -10.941 1.00 1.00 C ATOM 482 CD GLN A 31 0.926 -12.631 -12.320 1.00 1.00 C ATOM 483 OE1 GLN A 31 0.236 -12.918 -13.285 1.00 1.00 O ATOM 484 NE2 GLN A 31 2.251 -12.522 -12.359 1.00 1.00 N ATOM 0 H GLN A 31 -1.411 -8.922 -10.796 1.00 1.00 H new ATOM 0 HA GLN A 31 -1.311 -11.472 -9.358 1.00 1.00 H new ATOM 0 HB2 GLN A 31 0.075 -10.312 -11.565 1.00 1.00 H new ATOM 0 HB3 GLN A 31 1.244 -10.530 -10.278 1.00 1.00 H new ATOM 0 HG2 GLN A 31 0.909 -12.869 -10.176 1.00 1.00 H new ATOM 0 HG3 GLN A 31 -0.687 -12.777 -10.895 1.00 1.00 H new ATOM 0 HE21 GLN A 31 2.768 -12.278 -11.514 1.00 1.00 H new ATOM 0 HE22 GLN A 31 2.750 -12.682 -13.234 1.00 1.00 H new ATOM 493 N GLN A 32 -1.055 -9.441 -7.480 1.00 1.00 N ATOM 494 CA GLN A 32 -0.804 -9.463 -6.049 1.00 1.00 C ATOM 495 C GLN A 32 -2.112 -9.277 -5.278 1.00 1.00 C ATOM 496 O GLN A 32 -2.347 -9.950 -4.275 1.00 1.00 O ATOM 497 CB GLN A 32 0.223 -8.399 -5.654 1.00 1.00 C ATOM 498 CG GLN A 32 -0.285 -6.996 -5.994 1.00 1.00 C ATOM 499 CD GLN A 32 0.759 -5.936 -5.641 1.00 1.00 C ATOM 500 OE1 GLN A 32 0.755 -5.355 -4.567 1.00 1.00 O ATOM 501 NE2 GLN A 32 1.652 -5.715 -6.602 1.00 1.00 N ATOM 0 H GLN A 32 -1.932 -8.997 -7.752 1.00 1.00 H new ATOM 0 HA GLN A 32 -0.387 -10.436 -5.789 1.00 1.00 H new ATOM 0 HB2 GLN A 32 0.430 -8.466 -4.586 1.00 1.00 H new ATOM 0 HB3 GLN A 32 1.163 -8.585 -6.173 1.00 1.00 H new ATOM 0 HG2 GLN A 32 -0.522 -6.939 -7.056 1.00 1.00 H new ATOM 0 HG3 GLN A 32 -1.208 -6.798 -5.450 1.00 1.00 H new ATOM 0 HE21 GLN A 32 1.599 -6.236 -7.477 1.00 1.00 H new ATOM 0 HE22 GLN A 32 2.390 -5.025 -6.463 1.00 1.00 H new ATOM 510 N TYR A 33 -2.929 -8.359 -5.774 1.00 1.00 N ATOM 511 CA TYR A 33 -4.147 -7.986 -5.076 1.00 1.00 C ATOM 512 C TYR A 33 -5.368 -8.658 -5.708 1.00 1.00 C ATOM 513 O TYR A 33 -6.479 -8.543 -5.194 1.00 1.00 O ATOM 514 CB TYR A 33 -4.276 -6.470 -5.235 1.00 1.00 C ATOM 515 CG TYR A 33 -3.747 -5.672 -4.040 1.00 1.00 C ATOM 516 CD1 TYR A 33 -4.239 -5.917 -2.775 1.00 1.00 C ATOM 517 CD2 TYR A 33 -2.778 -4.708 -4.229 1.00 1.00 C ATOM 518 CE1 TYR A 33 -3.741 -5.167 -1.651 1.00 1.00 C ATOM 519 CE2 TYR A 33 -2.280 -3.958 -3.106 1.00 1.00 C ATOM 520 CZ TYR A 33 -2.786 -4.224 -1.872 1.00 1.00 C ATOM 521 OH TYR A 33 -2.315 -3.516 -0.811 1.00 1.00 O ATOM 0 H TYR A 33 -2.771 -7.863 -6.651 1.00 1.00 H new ATOM 0 HA TYR A 33 -4.101 -8.295 -4.032 1.00 1.00 H new ATOM 0 HB2 TYR A 33 -3.738 -6.162 -6.132 1.00 1.00 H new ATOM 0 HB3 TYR A 33 -5.325 -6.219 -5.391 1.00 1.00 H new ATOM 0 HD1 TYR A 33 -4.998 -6.671 -2.627 1.00 1.00 H new ATOM 0 HD2 TYR A 33 -2.393 -4.516 -5.220 1.00 1.00 H new ATOM 0 HE1 TYR A 33 -4.117 -5.349 -0.655 1.00 1.00 H new ATOM 0 HE2 TYR A 33 -1.522 -3.201 -3.240 1.00 1.00 H new ATOM 0 HH TYR A 33 -2.131 -2.594 -1.089 1.00 1.00 H new ATOM 531 N GLY A 34 -5.120 -9.347 -6.812 1.00 1.00 N ATOM 532 CA GLY A 34 -6.203 -9.844 -7.643 1.00 1.00 C ATOM 533 C GLY A 34 -6.908 -11.026 -6.974 1.00 1.00 C ATOM 534 O GLY A 34 -6.664 -12.179 -7.325 1.00 1.00 O ATOM 0 H GLY A 34 -4.185 -9.573 -7.150 1.00 1.00 H new ATOM 0 HA2 GLY A 34 -6.921 -9.045 -7.828 1.00 1.00 H new ATOM 0 HA3 GLY A 34 -5.811 -10.151 -8.613 1.00 1.00 H new ATOM 538 N LYS A 35 -7.769 -10.699 -6.021 1.00 1.00 N ATOM 539 CA LYS A 35 -8.828 -11.610 -5.624 1.00 1.00 C ATOM 540 C LYS A 35 -10.169 -11.086 -6.142 1.00 1.00 C ATOM 541 O LYS A 35 -11.136 -10.991 -5.388 1.00 1.00 O ATOM 542 CB LYS A 35 -8.800 -11.837 -4.111 1.00 1.00 C ATOM 543 CG LYS A 35 -7.529 -12.580 -3.692 1.00 1.00 C ATOM 544 CD LYS A 35 -6.433 -11.599 -3.272 1.00 1.00 C ATOM 545 CE LYS A 35 -5.128 -12.333 -2.962 1.00 1.00 C ATOM 546 NZ LYS A 35 -4.036 -11.367 -2.710 1.00 1.00 N ATOM 0 H LYS A 35 -7.754 -9.815 -5.512 1.00 1.00 H new ATOM 0 HA LYS A 35 -8.674 -12.591 -6.074 1.00 1.00 H new ATOM 0 HB2 LYS A 35 -8.852 -10.878 -3.595 1.00 1.00 H new ATOM 0 HB3 LYS A 35 -9.677 -12.410 -3.809 1.00 1.00 H new ATOM 0 HG2 LYS A 35 -7.754 -13.255 -2.866 1.00 1.00 H new ATOM 0 HG3 LYS A 35 -7.174 -13.195 -4.519 1.00 1.00 H new ATOM 0 HD2 LYS A 35 -6.266 -10.873 -4.068 1.00 1.00 H new ATOM 0 HD3 LYS A 35 -6.757 -11.040 -2.394 1.00 1.00 H new ATOM 0 HE2 LYS A 35 -5.263 -12.974 -2.091 1.00 1.00 H new ATOM 0 HE3 LYS A 35 -4.862 -12.982 -3.797 1.00 1.00 H new ATOM 0 HZ1 LYS A 35 -3.257 -11.845 -2.214 1.00 1.00 H new ATOM 0 HZ2 LYS A 35 -3.690 -10.990 -3.615 1.00 1.00 H new ATOM 0 HZ3 LYS A 35 -4.392 -10.586 -2.123 1.00 1.00 H new ATOM 560 N GLY A 36 -10.183 -10.757 -7.425 1.00 1.00 N ATOM 561 CA GLY A 36 -11.332 -10.089 -8.014 1.00 1.00 C ATOM 562 C GLY A 36 -11.198 -8.569 -7.903 1.00 1.00 C ATOM 563 O GLY A 36 -12.161 -7.839 -8.133 1.00 1.00 O ATOM 0 H GLY A 36 -9.417 -10.940 -8.074 1.00 1.00 H new ATOM 0 HA2 GLY A 36 -11.425 -10.374 -9.062 1.00 1.00 H new ATOM 0 HA3 GLY A 36 -12.243 -10.415 -7.513 1.00 1.00 H new ATOM 567 N ALA A 37 -9.997 -8.136 -7.550 1.00 1.00 N ATOM 568 CA ALA A 37 -9.733 -6.718 -7.376 1.00 1.00 C ATOM 569 C ALA A 37 -9.528 -6.070 -8.747 1.00 1.00 C ATOM 570 O ALA A 37 -9.532 -6.756 -9.769 1.00 1.00 O ATOM 571 CB ALA A 37 -8.524 -6.532 -6.458 1.00 1.00 C ATOM 0 H ALA A 37 -9.195 -8.743 -7.380 1.00 1.00 H new ATOM 0 HA ALA A 37 -10.582 -6.226 -6.901 1.00 1.00 H new ATOM 0 HB1 ALA A 37 -8.326 -5.468 -6.328 1.00 1.00 H new ATOM 0 HB2 ALA A 37 -8.731 -6.984 -5.488 1.00 1.00 H new ATOM 0 HB3 ALA A 37 -7.652 -7.011 -6.903 1.00 1.00 H new ATOM 577 N GLY A 38 -9.354 -4.757 -8.726 1.00 1.00 N ATOM 578 CA GLY A 38 -9.210 -4.001 -9.958 1.00 1.00 C ATOM 579 C GLY A 38 -8.448 -2.697 -9.716 1.00 1.00 C ATOM 580 O GLY A 38 -8.188 -2.329 -8.571 1.00 1.00 O ATOM 0 H GLY A 38 -9.309 -4.197 -7.875 1.00 1.00 H new ATOM 0 HA2 GLY A 38 -8.682 -4.602 -10.698 1.00 1.00 H new ATOM 0 HA3 GLY A 38 -10.195 -3.780 -10.370 1.00 1.00 H new ATOM 584 N GLY A 39 -8.112 -2.032 -10.811 1.00 1.00 N ATOM 585 CA GLY A 39 -7.254 -0.862 -10.744 1.00 1.00 C ATOM 586 C GLY A 39 -6.963 -0.313 -12.142 1.00 1.00 C ATOM 587 O GLY A 39 -7.118 -1.022 -13.135 1.00 1.00 O ATOM 0 H GLY A 39 -8.419 -2.282 -11.751 1.00 1.00 H new ATOM 0 HA2 GLY A 39 -7.731 -0.091 -10.139 1.00 1.00 H new ATOM 0 HA3 GLY A 39 -6.318 -1.121 -10.249 1.00 1.00 H new ATOM 591 N TYR A 40 -6.546 0.943 -12.175 1.00 1.00 N ATOM 592 CA TYR A 40 -6.397 1.650 -13.436 1.00 1.00 C ATOM 593 C TYR A 40 -5.283 2.695 -13.351 1.00 1.00 C ATOM 594 O TYR A 40 -4.658 2.858 -12.304 1.00 1.00 O ATOM 595 CB TYR A 40 -7.729 2.363 -13.679 1.00 1.00 C ATOM 596 CG TYR A 40 -8.252 3.137 -12.467 1.00 1.00 C ATOM 597 CD1 TYR A 40 -7.787 4.409 -12.209 1.00 1.00 C ATOM 598 CD2 TYR A 40 -9.188 2.561 -11.633 1.00 1.00 C ATOM 599 CE1 TYR A 40 -8.278 5.138 -11.067 1.00 1.00 C ATOM 600 CE2 TYR A 40 -9.681 3.289 -10.492 1.00 1.00 C ATOM 601 CZ TYR A 40 -9.201 4.542 -10.266 1.00 1.00 C ATOM 602 OH TYR A 40 -9.667 5.229 -9.189 1.00 1.00 O ATOM 0 H TYR A 40 -6.306 1.490 -11.348 1.00 1.00 H new ATOM 0 HA TYR A 40 -6.141 0.956 -14.237 1.00 1.00 H new ATOM 0 HB2 TYR A 40 -7.613 3.053 -14.515 1.00 1.00 H new ATOM 0 HB3 TYR A 40 -8.475 1.626 -13.976 1.00 1.00 H new ATOM 0 HD1 TYR A 40 -7.055 4.859 -12.863 1.00 1.00 H new ATOM 0 HD2 TYR A 40 -9.551 1.564 -11.836 1.00 1.00 H new ATOM 0 HE1 TYR A 40 -7.921 6.134 -10.852 1.00 1.00 H new ATOM 0 HE2 TYR A 40 -10.414 2.851 -9.831 1.00 1.00 H new ATOM 0 HH TYR A 40 -9.253 4.878 -8.373 1.00 1.00 H new ATOM 612 N CYS A 41 -5.067 3.375 -14.467 1.00 1.00 N ATOM 613 CA CYS A 41 -3.957 4.308 -14.572 1.00 1.00 C ATOM 614 C CYS A 41 -4.506 5.727 -14.418 1.00 1.00 C ATOM 615 O CYS A 41 -5.168 6.242 -15.320 1.00 1.00 O ATOM 616 CB CYS A 41 -3.192 4.131 -15.886 1.00 1.00 C ATOM 617 SG CYS A 41 -1.724 5.206 -16.069 1.00 1.00 S ATOM 0 H CYS A 41 -5.641 3.299 -15.307 1.00 1.00 H new ATOM 0 HA CYS A 41 -3.236 4.111 -13.779 1.00 1.00 H new ATOM 0 HB2 CYS A 41 -2.876 3.091 -15.969 1.00 1.00 H new ATOM 0 HB3 CYS A 41 -3.872 4.325 -16.715 1.00 1.00 H new ATOM 622 N TYR A 42 -4.212 6.320 -13.271 1.00 1.00 N ATOM 623 CA TYR A 42 -4.500 7.729 -13.061 1.00 1.00 C ATOM 624 C TYR A 42 -3.400 8.609 -13.657 1.00 1.00 C ATOM 625 O TYR A 42 -2.626 8.155 -14.500 1.00 1.00 O ATOM 626 CB TYR A 42 -4.533 7.931 -11.545 1.00 1.00 C ATOM 627 CG TYR A 42 -5.854 8.496 -11.020 1.00 1.00 C ATOM 628 CD1 TYR A 42 -6.541 9.441 -11.755 1.00 1.00 C ATOM 629 CD2 TYR A 42 -6.360 8.060 -9.813 1.00 1.00 C ATOM 630 CE1 TYR A 42 -7.785 9.973 -11.261 1.00 1.00 C ATOM 631 CE2 TYR A 42 -7.604 8.590 -9.319 1.00 1.00 C ATOM 632 CZ TYR A 42 -8.255 9.521 -10.067 1.00 1.00 C ATOM 633 OH TYR A 42 -9.430 10.023 -9.601 1.00 1.00 O ATOM 0 H TYR A 42 -3.777 5.851 -12.477 1.00 1.00 H new ATOM 0 HA TYR A 42 -5.440 8.004 -13.540 1.00 1.00 H new ATOM 0 HB2 TYR A 42 -4.339 6.976 -11.057 1.00 1.00 H new ATOM 0 HB3 TYR A 42 -3.724 8.604 -11.261 1.00 1.00 H new ATOM 0 HD1 TYR A 42 -6.146 9.782 -12.701 1.00 1.00 H new ATOM 0 HD2 TYR A 42 -5.822 7.320 -9.238 1.00 1.00 H new ATOM 0 HE1 TYR A 42 -8.332 10.714 -11.825 1.00 1.00 H new ATOM 0 HE2 TYR A 42 -8.011 8.256 -8.376 1.00 1.00 H new ATOM 0 HH TYR A 42 -9.644 9.609 -8.739 1.00 1.00 H new ATOM 643 N ALA A 43 -3.365 9.851 -13.199 1.00 1.00 N ATOM 644 CA ALA A 43 -2.301 10.762 -13.585 1.00 1.00 C ATOM 645 C ALA A 43 -0.948 10.112 -13.290 1.00 1.00 C ATOM 646 O ALA A 43 -0.364 10.337 -12.230 1.00 1.00 O ATOM 647 CB ALA A 43 -2.480 12.094 -12.854 1.00 1.00 C ATOM 0 H ALA A 43 -4.057 10.248 -12.564 1.00 1.00 H new ATOM 0 HA ALA A 43 -2.341 10.969 -14.654 1.00 1.00 H new ATOM 0 HB1 ALA A 43 -1.682 12.778 -13.143 1.00 1.00 H new ATOM 0 HB2 ALA A 43 -3.444 12.528 -13.120 1.00 1.00 H new ATOM 0 HB3 ALA A 43 -2.442 11.926 -11.778 1.00 1.00 H new ATOM 653 N PHE A 44 -0.488 9.319 -14.246 1.00 1.00 N ATOM 654 CA PHE A 44 0.862 8.785 -14.190 1.00 1.00 C ATOM 655 C PHE A 44 1.098 8.025 -12.884 1.00 1.00 C ATOM 656 O PHE A 44 2.183 8.093 -12.309 1.00 1.00 O ATOM 657 CB PHE A 44 1.818 9.978 -14.252 1.00 1.00 C ATOM 658 CG PHE A 44 1.389 11.068 -15.237 1.00 1.00 C ATOM 659 CD1 PHE A 44 1.074 10.740 -16.519 1.00 1.00 C ATOM 660 CD2 PHE A 44 1.324 12.365 -14.830 1.00 1.00 C ATOM 661 CE1 PHE A 44 0.677 11.752 -17.434 1.00 1.00 C ATOM 662 CE2 PHE A 44 0.927 13.376 -15.744 1.00 1.00 C ATOM 663 CZ PHE A 44 0.612 13.048 -17.026 1.00 1.00 C ATOM 0 H PHE A 44 -1.026 9.033 -15.064 1.00 1.00 H new ATOM 0 HA PHE A 44 1.022 8.092 -15.016 1.00 1.00 H new ATOM 0 HB2 PHE A 44 1.903 10.415 -13.257 1.00 1.00 H new ATOM 0 HB3 PHE A 44 2.810 9.622 -14.529 1.00 1.00 H new ATOM 0 HD1 PHE A 44 1.126 9.711 -16.841 1.00 1.00 H new ATOM 0 HD2 PHE A 44 1.574 12.625 -13.812 1.00 1.00 H new ATOM 0 HE1 PHE A 44 0.427 11.493 -18.452 1.00 1.00 H new ATOM 0 HE2 PHE A 44 0.875 14.405 -15.422 1.00 1.00 H new ATOM 0 HZ PHE A 44 0.310 13.818 -17.721 1.00 1.00 H new ATOM 673 N ALA A 45 0.063 7.319 -12.452 1.00 1.00 N ATOM 674 CA ALA A 45 0.175 6.469 -11.280 1.00 1.00 C ATOM 675 C ALA A 45 -1.035 5.533 -11.217 1.00 1.00 C ATOM 676 O ALA A 45 -2.112 5.872 -11.703 1.00 1.00 O ATOM 677 CB ALA A 45 0.305 7.338 -10.028 1.00 1.00 C ATOM 0 H ALA A 45 -0.857 7.319 -12.893 1.00 1.00 H new ATOM 0 HA ALA A 45 1.070 5.849 -11.340 1.00 1.00 H new ATOM 0 HB1 ALA A 45 0.389 6.699 -9.149 1.00 1.00 H new ATOM 0 HB2 ALA A 45 1.195 7.962 -10.109 1.00 1.00 H new ATOM 0 HB3 ALA A 45 -0.576 7.973 -9.933 1.00 1.00 H new ATOM 683 N CYS A 46 -0.815 4.374 -10.613 1.00 1.00 N ATOM 684 CA CYS A 46 -1.851 3.356 -10.549 1.00 1.00 C ATOM 685 C CYS A 46 -2.709 3.620 -9.312 1.00 1.00 C ATOM 686 O CYS A 46 -2.200 4.059 -8.281 1.00 1.00 O ATOM 687 CB CYS A 46 -1.257 1.946 -10.541 1.00 1.00 C ATOM 688 SG CYS A 46 -0.400 1.465 -12.085 1.00 1.00 S ATOM 0 H CYS A 46 0.064 4.117 -10.164 1.00 1.00 H new ATOM 0 HA CYS A 46 -2.475 3.412 -11.441 1.00 1.00 H new ATOM 0 HB2 CYS A 46 -0.553 1.868 -9.712 1.00 1.00 H new ATOM 0 HB3 CYS A 46 -2.057 1.231 -10.348 1.00 1.00 H new ATOM 693 N TRP A 47 -3.997 3.343 -9.453 1.00 1.00 N ATOM 694 CA TRP A 47 -4.881 3.286 -8.302 1.00 1.00 C ATOM 695 C TRP A 47 -5.646 1.962 -8.358 1.00 1.00 C ATOM 696 O TRP A 47 -6.259 1.638 -9.374 1.00 1.00 O ATOM 697 CB TRP A 47 -5.802 4.507 -8.257 1.00 1.00 C ATOM 698 CG TRP A 47 -6.955 4.380 -7.260 1.00 1.00 C ATOM 699 CD1 TRP A 47 -7.957 3.489 -7.265 1.00 1.00 C ATOM 700 CD2 TRP A 47 -7.187 5.211 -6.102 1.00 1.00 C ATOM 701 NE1 TRP A 47 -8.814 3.685 -6.202 1.00 1.00 N ATOM 702 CE2 TRP A 47 -8.331 4.765 -5.472 1.00 1.00 C ATOM 703 CE3 TRP A 47 -6.454 6.303 -5.605 1.00 1.00 C ATOM 704 CZ2 TRP A 47 -8.843 5.353 -4.309 1.00 1.00 C ATOM 705 CZ3 TRP A 47 -6.981 6.879 -4.443 1.00 1.00 C ATOM 706 CH2 TRP A 47 -8.130 6.442 -3.796 1.00 1.00 C ATOM 0 H TRP A 47 -4.449 3.156 -10.348 1.00 1.00 H new ATOM 0 HA TRP A 47 -4.309 3.319 -7.375 1.00 1.00 H new ATOM 0 HB2 TRP A 47 -5.210 5.386 -8.003 1.00 1.00 H new ATOM 0 HB3 TRP A 47 -6.213 4.676 -9.252 1.00 1.00 H new ATOM 0 HD1 TRP A 47 -8.078 2.715 -8.008 1.00 1.00 H new ATOM 0 HE1 TRP A 47 -9.649 3.138 -5.990 1.00 1.00 H new ATOM 0 HE3 TRP A 47 -5.556 6.668 -6.082 1.00 1.00 H new ATOM 0 HZ2 TRP A 47 -9.740 4.986 -3.833 1.00 1.00 H new ATOM 0 HZ3 TRP A 47 -6.457 7.723 -4.019 1.00 1.00 H new ATOM 0 HH2 TRP A 47 -8.471 6.941 -2.901 1.00 1.00 H new ATOM 717 N CYS A 48 -5.586 1.232 -7.254 1.00 1.00 N ATOM 718 CA CYS A 48 -6.313 -0.021 -7.144 1.00 1.00 C ATOM 719 C CYS A 48 -7.507 0.197 -6.214 1.00 1.00 C ATOM 720 O CYS A 48 -7.370 0.805 -5.153 1.00 1.00 O ATOM 721 CB CYS A 48 -5.411 -1.157 -6.657 1.00 1.00 C ATOM 722 SG CYS A 48 -4.437 -1.980 -7.971 1.00 1.00 S ATOM 0 H CYS A 48 -5.045 1.485 -6.427 1.00 1.00 H new ATOM 0 HA CYS A 48 -6.670 -0.325 -8.128 1.00 1.00 H new ATOM 0 HB2 CYS A 48 -4.724 -0.762 -5.909 1.00 1.00 H new ATOM 0 HB3 CYS A 48 -6.029 -1.905 -6.159 1.00 1.00 H new ATOM 727 N THR A 49 -8.653 -0.311 -6.645 1.00 1.00 N ATOM 728 CA THR A 49 -9.925 0.250 -6.225 1.00 1.00 C ATOM 729 C THR A 49 -10.865 -0.859 -5.747 1.00 1.00 C ATOM 730 O THR A 49 -12.083 -0.744 -5.877 1.00 1.00 O ATOM 731 CB THR A 49 -10.489 1.066 -7.390 1.00 1.00 C ATOM 732 OG1 THR A 49 -11.853 1.281 -7.034 1.00 1.00 O ATOM 733 CG2 THR A 49 -10.567 0.257 -8.687 1.00 1.00 C ATOM 0 H THR A 49 -8.726 -1.105 -7.281 1.00 1.00 H new ATOM 0 HA THR A 49 -9.801 0.917 -5.372 1.00 1.00 H new ATOM 0 HB THR A 49 -9.870 1.949 -7.549 1.00 1.00 H new ATOM 0 HG1 THR A 49 -12.343 0.434 -7.089 1.00 1.00 H new ATOM 0 HG21 THR A 49 -10.974 0.882 -9.482 1.00 1.00 H new ATOM 0 HG22 THR A 49 -9.569 -0.081 -8.966 1.00 1.00 H new ATOM 0 HG23 THR A 49 -11.214 -0.607 -8.538 1.00 1.00 H new ATOM 741 N HIS A 50 -10.264 -1.907 -5.205 1.00 1.00 N ATOM 742 CA HIS A 50 -11.032 -3.041 -4.718 1.00 1.00 C ATOM 743 C HIS A 50 -10.096 -4.036 -4.028 1.00 1.00 C ATOM 744 O HIS A 50 -10.223 -5.245 -4.215 1.00 1.00 O ATOM 745 CB HIS A 50 -11.840 -3.676 -5.852 1.00 1.00 C ATOM 746 CG HIS A 50 -12.752 -4.794 -5.405 1.00 1.00 C ATOM 747 ND1 HIS A 50 -13.063 -5.020 -4.075 1.00 1.00 N ATOM 748 CD2 HIS A 50 -13.416 -5.743 -6.124 1.00 1.00 C ATOM 749 CE1 HIS A 50 -13.879 -6.063 -4.010 1.00 1.00 C ATOM 750 NE2 HIS A 50 -14.096 -6.511 -5.279 1.00 1.00 N ATOM 0 H HIS A 50 -9.254 -1.995 -5.092 1.00 1.00 H new ATOM 0 HA HIS A 50 -11.757 -2.703 -3.977 1.00 1.00 H new ATOM 0 HB2 HIS A 50 -12.439 -2.903 -6.335 1.00 1.00 H new ATOM 0 HB3 HIS A 50 -11.151 -4.061 -6.604 1.00 1.00 H new ATOM 0 HD2 HIS A 50 -13.393 -5.852 -7.198 1.00 1.00 H new ATOM 0 HE1 HIS A 50 -14.299 -6.484 -3.108 1.00 1.00 H new ATOM 0 HE2 HIS A 50 -14.683 -7.304 -5.537 1.00 1.00 H new ATOM 758 N LEU A 51 -9.179 -3.489 -3.244 1.00 1.00 N ATOM 759 CA LEU A 51 -8.445 -4.291 -2.279 1.00 1.00 C ATOM 760 C LEU A 51 -9.289 -4.459 -1.014 1.00 1.00 C ATOM 761 O LEU A 51 -10.375 -3.891 -0.909 1.00 1.00 O ATOM 762 CB LEU A 51 -7.063 -3.688 -2.022 1.00 1.00 C ATOM 763 CG LEU A 51 -6.309 -3.186 -3.256 1.00 1.00 C ATOM 764 CD1 LEU A 51 -6.699 -3.988 -4.498 1.00 1.00 C ATOM 765 CD2 LEU A 51 -6.520 -1.685 -3.454 1.00 1.00 C ATOM 0 H LEU A 51 -8.927 -2.501 -3.257 1.00 1.00 H new ATOM 0 HA LEU A 51 -8.262 -5.290 -2.675 1.00 1.00 H new ATOM 0 HB2 LEU A 51 -7.175 -2.856 -1.326 1.00 1.00 H new ATOM 0 HB3 LEU A 51 -6.448 -4.438 -1.525 1.00 1.00 H new ATOM 0 HG LEU A 51 -5.243 -3.342 -3.093 1.00 1.00 H new ATOM 0 HD11 LEU A 51 -6.150 -3.612 -5.361 1.00 1.00 H new ATOM 0 HD12 LEU A 51 -6.456 -5.039 -4.343 1.00 1.00 H new ATOM 0 HD13 LEU A 51 -7.769 -3.885 -4.676 1.00 1.00 H new ATOM 0 HD21 LEU A 51 -5.974 -1.354 -4.337 1.00 1.00 H new ATOM 0 HD22 LEU A 51 -7.583 -1.481 -3.587 1.00 1.00 H new ATOM 0 HD23 LEU A 51 -6.155 -1.148 -2.579 1.00 1.00 H new ATOM 777 N TYR A 52 -8.757 -5.239 -0.086 1.00 1.00 N ATOM 778 CA TYR A 52 -9.525 -5.647 1.080 1.00 1.00 C ATOM 779 C TYR A 52 -9.034 -4.930 2.338 1.00 1.00 C ATOM 780 O TYR A 52 -8.289 -3.954 2.251 1.00 1.00 O ATOM 781 CB TYR A 52 -9.285 -7.150 1.238 1.00 1.00 C ATOM 782 CG TYR A 52 -8.083 -7.675 0.450 1.00 1.00 C ATOM 783 CD1 TYR A 52 -8.175 -7.851 -0.915 1.00 1.00 C ATOM 784 CD2 TYR A 52 -6.905 -7.972 1.106 1.00 1.00 C ATOM 785 CE1 TYR A 52 -7.043 -8.345 -1.656 1.00 1.00 C ATOM 786 CE2 TYR A 52 -5.773 -8.465 0.365 1.00 1.00 C ATOM 787 CZ TYR A 52 -5.898 -8.627 -0.979 1.00 1.00 C ATOM 788 OH TYR A 52 -4.830 -9.094 -1.679 1.00 1.00 O ATOM 0 H TYR A 52 -7.804 -5.600 -0.116 1.00 1.00 H new ATOM 0 HA TYR A 52 -10.579 -5.403 0.950 1.00 1.00 H new ATOM 0 HB2 TYR A 52 -9.140 -7.375 2.295 1.00 1.00 H new ATOM 0 HB3 TYR A 52 -10.179 -7.686 0.918 1.00 1.00 H new ATOM 0 HD1 TYR A 52 -9.096 -7.618 -1.428 1.00 1.00 H new ATOM 0 HD2 TYR A 52 -6.833 -7.835 2.175 1.00 1.00 H new ATOM 0 HE1 TYR A 52 -7.102 -8.488 -2.725 1.00 1.00 H new ATOM 0 HE2 TYR A 52 -4.846 -8.701 0.866 1.00 1.00 H new ATOM 0 HH TYR A 52 -4.081 -9.251 -1.067 1.00 1.00 H new ATOM 798 N GLU A 53 -9.471 -5.440 3.480 1.00 1.00 N ATOM 799 CA GLU A 53 -9.004 -4.926 4.757 1.00 1.00 C ATOM 800 C GLU A 53 -7.491 -4.705 4.719 1.00 1.00 C ATOM 801 O GLU A 53 -6.973 -3.815 5.392 1.00 1.00 O ATOM 802 CB GLU A 53 -9.394 -5.864 5.901 1.00 1.00 C ATOM 803 CG GLU A 53 -8.667 -7.205 5.782 1.00 1.00 C ATOM 804 CD GLU A 53 -9.216 -8.218 6.789 1.00 1.00 C ATOM 805 OE1 GLU A 53 -10.257 -8.830 6.468 1.00 1.00 O ATOM 806 OE2 GLU A 53 -8.582 -8.356 7.857 1.00 1.00 O ATOM 0 H GLU A 53 -10.144 -6.204 3.548 1.00 1.00 H new ATOM 0 HA GLU A 53 -9.486 -3.966 4.939 1.00 1.00 H new ATOM 0 HB2 GLU A 53 -9.152 -5.398 6.856 1.00 1.00 H new ATOM 0 HB3 GLU A 53 -10.472 -6.028 5.890 1.00 1.00 H new ATOM 0 HG2 GLU A 53 -8.779 -7.595 4.770 1.00 1.00 H new ATOM 0 HG3 GLU A 53 -7.600 -7.060 5.951 1.00 1.00 H new ATOM 813 N GLN A 54 -6.824 -5.531 3.927 1.00 1.00 N ATOM 814 CA GLN A 54 -5.377 -5.465 3.826 1.00 1.00 C ATOM 815 C GLN A 54 -4.967 -4.707 2.561 1.00 1.00 C ATOM 816 O GLN A 54 -3.994 -5.071 1.903 1.00 1.00 O ATOM 817 CB GLN A 54 -4.761 -6.866 3.849 1.00 1.00 C ATOM 818 CG GLN A 54 -3.774 -7.012 5.009 1.00 1.00 C ATOM 819 CD GLN A 54 -3.190 -8.426 5.058 1.00 1.00 C ATOM 820 OE1 GLN A 54 -2.094 -8.690 4.592 1.00 1.00 O ATOM 821 NE2 GLN A 54 -3.984 -9.317 5.647 1.00 1.00 N ATOM 0 H GLN A 54 -7.260 -6.250 3.349 1.00 1.00 H new ATOM 0 HA GLN A 54 -4.997 -4.922 4.691 1.00 1.00 H new ATOM 0 HB2 GLN A 54 -5.550 -7.612 3.942 1.00 1.00 H new ATOM 0 HB3 GLN A 54 -4.250 -7.058 2.906 1.00 1.00 H new ATOM 0 HG2 GLN A 54 -2.969 -6.286 4.899 1.00 1.00 H new ATOM 0 HG3 GLN A 54 -4.278 -6.790 5.950 1.00 1.00 H new ATOM 0 HE21 GLN A 54 -4.890 -9.028 6.016 1.00 1.00 H new ATOM 0 HE22 GLN A 54 -3.687 -10.289 5.730 1.00 1.00 H new ATOM 830 N ALA A 55 -5.728 -3.665 2.262 1.00 1.00 N ATOM 831 CA ALA A 55 -5.286 -2.666 1.305 1.00 1.00 C ATOM 832 C ALA A 55 -4.079 -1.919 1.874 1.00 1.00 C ATOM 833 O ALA A 55 -4.232 -1.037 2.719 1.00 1.00 O ATOM 834 CB ALA A 55 -6.448 -1.729 0.971 1.00 1.00 C ATOM 0 H ALA A 55 -6.648 -3.491 2.666 1.00 1.00 H new ATOM 0 HA ALA A 55 -4.972 -3.139 0.375 1.00 1.00 H new ATOM 0 HB1 ALA A 55 -6.116 -0.979 0.253 1.00 1.00 H new ATOM 0 HB2 ALA A 55 -7.268 -2.305 0.542 1.00 1.00 H new ATOM 0 HB3 ALA A 55 -6.789 -1.234 1.880 1.00 1.00 H new ATOM 840 N ILE A 56 -2.906 -2.298 1.391 1.00 1.00 N ATOM 841 CA ILE A 56 -1.717 -1.485 1.586 1.00 1.00 C ATOM 842 C ILE A 56 -1.603 -0.475 0.442 1.00 1.00 C ATOM 843 O ILE A 56 -1.474 -0.859 -0.719 1.00 1.00 O ATOM 844 CB ILE A 56 -0.481 -2.371 1.748 1.00 1.00 C ATOM 845 CG1 ILE A 56 -0.749 -3.509 2.734 1.00 1.00 C ATOM 846 CG2 ILE A 56 0.740 -1.541 2.147 1.00 1.00 C ATOM 847 CD1 ILE A 56 -1.225 -2.965 4.083 1.00 1.00 C ATOM 0 H ILE A 56 -2.753 -3.158 0.864 1.00 1.00 H new ATOM 0 HA ILE A 56 -1.794 -0.914 2.511 1.00 1.00 H new ATOM 0 HB ILE A 56 -0.258 -2.827 0.783 1.00 1.00 H new ATOM 0 HG12 ILE A 56 -1.502 -4.181 2.323 1.00 1.00 H new ATOM 0 HG13 ILE A 56 0.159 -4.095 2.874 1.00 1.00 H new ATOM 0 HG21 ILE A 56 1.605 -2.195 2.256 1.00 1.00 H new ATOM 0 HG22 ILE A 56 0.942 -0.797 1.376 1.00 1.00 H new ATOM 0 HG23 ILE A 56 0.544 -1.038 3.094 1.00 1.00 H new ATOM 0 HD11 ILE A 56 -1.408 -3.795 4.766 1.00 1.00 H new ATOM 0 HD12 ILE A 56 -0.460 -2.312 4.503 1.00 1.00 H new ATOM 0 HD13 ILE A 56 -2.147 -2.400 3.943 1.00 1.00 H new ATOM 859 N VAL A 57 -1.657 0.797 0.810 1.00 1.00 N ATOM 860 CA VAL A 57 -1.651 1.863 -0.177 1.00 1.00 C ATOM 861 C VAL A 57 -0.408 2.732 0.025 1.00 1.00 C ATOM 862 O VAL A 57 0.046 2.921 1.153 1.00 1.00 O ATOM 863 CB VAL A 57 -2.955 2.658 -0.097 1.00 1.00 C ATOM 864 CG1 VAL A 57 -3.692 2.373 1.214 1.00 1.00 C ATOM 865 CG2 VAL A 57 -2.695 4.157 -0.264 1.00 1.00 C ATOM 0 H VAL A 57 -1.705 1.113 1.779 1.00 1.00 H new ATOM 0 HA VAL A 57 -1.599 1.450 -1.184 1.00 1.00 H new ATOM 0 HB VAL A 57 -3.594 2.335 -0.918 1.00 1.00 H new ATOM 0 HG11 VAL A 57 -4.616 2.951 1.245 1.00 1.00 H new ATOM 0 HG12 VAL A 57 -3.927 1.310 1.276 1.00 1.00 H new ATOM 0 HG13 VAL A 57 -3.059 2.655 2.056 1.00 1.00 H new ATOM 0 HG21 VAL A 57 -3.639 4.699 -0.203 1.00 1.00 H new ATOM 0 HG22 VAL A 57 -2.027 4.501 0.526 1.00 1.00 H new ATOM 0 HG23 VAL A 57 -2.233 4.340 -1.234 1.00 1.00 H new ATOM 875 N TRP A 58 0.109 3.237 -1.087 1.00 1.00 N ATOM 876 CA TRP A 58 1.433 3.835 -1.091 1.00 1.00 C ATOM 877 C TRP A 58 1.434 4.992 -0.091 1.00 1.00 C ATOM 878 O TRP A 58 0.394 5.597 0.166 1.00 1.00 O ATOM 879 CB TRP A 58 1.836 4.264 -2.504 1.00 1.00 C ATOM 880 CG TRP A 58 3.138 5.066 -2.563 1.00 1.00 C ATOM 881 CD1 TRP A 58 4.366 4.622 -2.858 1.00 1.00 C ATOM 882 CD2 TRP A 58 3.290 6.479 -2.309 1.00 1.00 C ATOM 883 NE1 TRP A 58 5.296 5.640 -2.812 1.00 1.00 N ATOM 884 CE2 TRP A 58 4.621 6.806 -2.467 1.00 1.00 C ATOM 885 CE3 TRP A 58 2.334 7.447 -1.955 1.00 1.00 C ATOM 886 CZ2 TRP A 58 5.118 8.103 -2.293 1.00 1.00 C ATOM 887 CZ3 TRP A 58 2.847 8.739 -1.785 1.00 1.00 C ATOM 888 CH2 TRP A 58 4.184 9.084 -1.941 1.00 1.00 C ATOM 0 H TRP A 58 -0.365 3.244 -1.990 1.00 1.00 H new ATOM 0 HA TRP A 58 2.185 3.109 -0.782 1.00 1.00 H new ATOM 0 HB2 TRP A 58 1.940 3.375 -3.127 1.00 1.00 H new ATOM 0 HB3 TRP A 58 1.033 4.862 -2.934 1.00 1.00 H new ATOM 0 HD1 TRP A 58 4.599 3.596 -3.101 1.00 1.00 H new ATOM 0 HE1 TRP A 58 6.295 5.553 -2.997 1.00 1.00 H new ATOM 0 HE3 TRP A 58 1.288 7.213 -1.825 1.00 1.00 H new ATOM 0 HZ2 TRP A 58 6.165 8.334 -2.423 1.00 1.00 H new ATOM 0 HZ3 TRP A 58 2.155 9.522 -1.514 1.00 1.00 H new ATOM 0 HH2 TRP A 58 4.501 10.105 -1.791 1.00 1.00 H new ATOM 899 N PRO A 59 2.644 5.274 0.462 1.00 1.00 N ATOM 900 CA PRO A 59 3.750 4.337 0.359 1.00 1.00 C ATOM 901 C PRO A 59 3.554 3.152 1.306 1.00 1.00 C ATOM 902 O PRO A 59 2.445 2.908 1.781 1.00 1.00 O ATOM 903 CB PRO A 59 4.991 5.155 0.680 1.00 1.00 C ATOM 904 CG PRO A 59 4.494 6.398 1.400 1.00 1.00 C ATOM 905 CD PRO A 59 2.991 6.487 1.196 1.00 1.00 C ATOM 0 HA PRO A 59 3.830 3.889 -0.631 1.00 1.00 H new ATOM 0 HB2 PRO A 59 5.680 4.590 1.307 1.00 1.00 H new ATOM 0 HB3 PRO A 59 5.531 5.420 -0.229 1.00 1.00 H new ATOM 0 HG2 PRO A 59 4.732 6.344 2.462 1.00 1.00 H new ATOM 0 HG3 PRO A 59 4.986 7.288 1.008 1.00 1.00 H new ATOM 0 HD2 PRO A 59 2.464 6.537 2.149 1.00 1.00 H new ATOM 0 HD3 PRO A 59 2.720 7.381 0.634 1.00 1.00 H new ATOM 913 N LEU A 60 4.648 2.446 1.555 1.00 1.00 N ATOM 914 CA LEU A 60 4.779 1.674 2.779 1.00 1.00 C ATOM 915 C LEU A 60 5.058 2.623 3.947 1.00 1.00 C ATOM 916 O LEU A 60 5.701 3.657 3.772 1.00 1.00 O ATOM 917 CB LEU A 60 5.835 0.579 2.611 1.00 1.00 C ATOM 918 CG LEU A 60 5.494 -0.533 1.618 1.00 1.00 C ATOM 919 CD1 LEU A 60 3.979 -0.699 1.478 1.00 1.00 C ATOM 920 CD2 LEU A 60 6.171 -0.289 0.268 1.00 1.00 C ATOM 0 H LEU A 60 5.452 2.393 0.929 1.00 1.00 H new ATOM 0 HA LEU A 60 3.847 1.155 3.004 1.00 1.00 H new ATOM 0 HB2 LEU A 60 6.768 1.047 2.296 1.00 1.00 H new ATOM 0 HB3 LEU A 60 6.018 0.126 3.585 1.00 1.00 H new ATOM 0 HG LEU A 60 5.885 -1.472 2.010 1.00 1.00 H new ATOM 0 HD11 LEU A 60 3.765 -1.496 0.766 1.00 1.00 H new ATOM 0 HD12 LEU A 60 3.550 -0.953 2.447 1.00 1.00 H new ATOM 0 HD13 LEU A 60 3.542 0.234 1.121 1.00 1.00 H new ATOM 0 HD21 LEU A 60 5.912 -1.094 -0.420 1.00 1.00 H new ATOM 0 HD22 LEU A 60 5.832 0.662 -0.143 1.00 1.00 H new ATOM 0 HD23 LEU A 60 7.252 -0.261 0.403 1.00 1.00 H new ATOM 932 N PRO A 61 4.546 2.227 5.143 1.00 1.00 N ATOM 933 CA PRO A 61 4.291 3.189 6.203 1.00 1.00 C ATOM 934 C PRO A 61 5.596 3.632 6.868 1.00 1.00 C ATOM 935 O PRO A 61 5.920 4.818 6.878 1.00 1.00 O ATOM 936 CB PRO A 61 3.348 2.478 7.160 1.00 1.00 C ATOM 937 CG PRO A 61 3.477 0.996 6.849 1.00 1.00 C ATOM 938 CD PRO A 61 4.199 0.860 5.518 1.00 1.00 C ATOM 0 HA PRO A 61 3.843 4.112 5.835 1.00 1.00 H new ATOM 0 HB2 PRO A 61 3.615 2.684 8.196 1.00 1.00 H new ATOM 0 HB3 PRO A 61 2.322 2.818 7.022 1.00 1.00 H new ATOM 0 HG2 PRO A 61 4.031 0.487 7.638 1.00 1.00 H new ATOM 0 HG3 PRO A 61 2.493 0.529 6.799 1.00 1.00 H new ATOM 0 HD2 PRO A 61 5.089 0.237 5.612 1.00 1.00 H new ATOM 0 HD3 PRO A 61 3.561 0.393 4.767 1.00 1.00 H new ATOM 946 N ASN A 62 6.309 2.653 7.407 1.00 1.00 N ATOM 947 CA ASN A 62 7.486 2.940 8.209 1.00 1.00 C ATOM 948 C ASN A 62 8.735 2.478 7.456 1.00 1.00 C ATOM 949 O ASN A 62 9.769 2.211 8.067 1.00 1.00 O ATOM 950 CB ASN A 62 7.437 2.196 9.545 1.00 1.00 C ATOM 951 CG ASN A 62 7.395 0.682 9.328 1.00 1.00 C ATOM 952 OD1 ASN A 62 6.678 0.169 8.483 1.00 1.00 O ATOM 953 ND2 ASN A 62 8.201 -0.002 10.135 1.00 1.00 N ATOM 0 H ASN A 62 6.094 1.661 7.304 1.00 1.00 H new ATOM 0 HA ASN A 62 7.514 4.014 8.395 1.00 1.00 H new ATOM 0 HB2 ASN A 62 8.310 2.457 10.143 1.00 1.00 H new ATOM 0 HB3 ASN A 62 6.559 2.511 10.109 1.00 1.00 H new ATOM 0 HD21 ASN A 62 8.246 -1.019 10.069 1.00 1.00 H new ATOM 0 HD22 ASN A 62 8.774 0.490 10.820 1.00 1.00 H new ATOM 960 N LYS A 63 8.599 2.401 6.140 1.00 1.00 N ATOM 961 CA LYS A 63 9.759 2.269 5.274 1.00 1.00 C ATOM 962 C LYS A 63 9.405 2.775 3.875 1.00 1.00 C ATOM 963 O LYS A 63 9.509 2.033 2.899 1.00 1.00 O ATOM 964 CB LYS A 63 10.283 0.831 5.295 1.00 1.00 C ATOM 965 CG LYS A 63 9.166 -0.163 4.967 1.00 1.00 C ATOM 966 CD LYS A 63 8.785 -0.985 6.200 1.00 1.00 C ATOM 967 CE LYS A 63 7.566 -1.864 5.917 1.00 1.00 C ATOM 968 NZ LYS A 63 6.930 -2.292 7.182 1.00 1.00 N ATOM 0 H LYS A 63 7.703 2.427 5.652 1.00 1.00 H new ATOM 0 HA LYS A 63 10.579 2.887 5.639 1.00 1.00 H new ATOM 0 HB2 LYS A 63 11.093 0.725 4.574 1.00 1.00 H new ATOM 0 HB3 LYS A 63 10.699 0.606 6.277 1.00 1.00 H new ATOM 0 HG2 LYS A 63 8.292 0.375 4.600 1.00 1.00 H new ATOM 0 HG3 LYS A 63 9.490 -0.829 4.167 1.00 1.00 H new ATOM 0 HD2 LYS A 63 9.627 -1.610 6.499 1.00 1.00 H new ATOM 0 HD3 LYS A 63 8.571 -0.317 7.035 1.00 1.00 H new ATOM 0 HE2 LYS A 63 6.847 -1.314 5.310 1.00 1.00 H new ATOM 0 HE3 LYS A 63 7.867 -2.739 5.341 1.00 1.00 H new ATOM 0 HZ1 LYS A 63 6.075 -2.846 6.971 1.00 1.00 H new ATOM 0 HZ2 LYS A 63 7.596 -2.878 7.725 1.00 1.00 H new ATOM 0 HZ3 LYS A 63 6.671 -1.454 7.741 1.00 1.00 H new ATOM 982 N ARG A 64 8.994 4.033 3.821 1.00 1.00 N ATOM 983 CA ARG A 64 8.747 4.686 2.546 1.00 1.00 C ATOM 984 C ARG A 64 10.050 4.814 1.755 1.00 1.00 C ATOM 985 O ARG A 64 11.137 4.740 2.325 1.00 1.00 O ATOM 986 CB ARG A 64 8.141 6.077 2.749 1.00 1.00 C ATOM 987 CG ARG A 64 8.998 6.915 3.699 1.00 1.00 C ATOM 988 CD ARG A 64 9.105 8.361 3.209 1.00 1.00 C ATOM 989 NE ARG A 64 10.316 8.523 2.374 1.00 1.00 N ATOM 990 CZ ARG A 64 11.496 8.955 2.839 1.00 1.00 C ATOM 991 NH1 ARG A 64 11.734 8.966 4.157 1.00 1.00 N ATOM 992 NH2 ARG A 64 12.440 9.375 1.984 1.00 1.00 N ATOM 0 H ARG A 64 8.826 4.618 4.639 1.00 1.00 H new ATOM 0 HA ARG A 64 8.039 4.072 1.989 1.00 1.00 H new ATOM 0 HB2 ARG A 64 8.055 6.584 1.788 1.00 1.00 H new ATOM 0 HB3 ARG A 64 7.132 5.983 3.151 1.00 1.00 H new ATOM 0 HG2 ARG A 64 8.563 6.897 4.698 1.00 1.00 H new ATOM 0 HG3 ARG A 64 9.994 6.479 3.777 1.00 1.00 H new ATOM 0 HD2 ARG A 64 8.218 8.625 2.633 1.00 1.00 H new ATOM 0 HD3 ARG A 64 9.147 9.040 4.060 1.00 1.00 H new ATOM 0 HE ARG A 64 10.248 8.291 1.383 1.00 1.00 H new ATOM 0 HH11 ARG A 64 11.017 8.645 4.807 1.00 1.00 H new ATOM 0 HH12 ARG A 64 12.633 9.295 4.510 1.00 1.00 H new ATOM 0 HH21 ARG A 64 12.260 9.366 0.980 1.00 1.00 H new ATOM 0 HH22 ARG A 64 13.338 9.704 2.338 1.00 1.00 H new ATOM 1006 N CYS A 65 9.897 5.007 0.453 1.00 1.00 N ATOM 1007 CA CYS A 65 11.040 4.996 -0.445 1.00 1.00 C ATOM 1008 C CYS A 65 11.917 6.207 -0.119 1.00 1.00 C ATOM 1009 O CYS A 65 11.412 7.255 0.278 1.00 1.00 O ATOM 1010 CB CYS A 65 10.607 4.984 -1.911 1.00 1.00 C ATOM 1011 SG CYS A 65 11.929 4.547 -3.098 1.00 1.00 S ATOM 0 H CYS A 65 8.999 5.172 -0.002 1.00 1.00 H new ATOM 0 HA CYS A 65 11.614 4.081 -0.297 1.00 1.00 H new ATOM 0 HB2 CYS A 65 9.786 4.277 -2.027 1.00 1.00 H new ATOM 0 HB3 CYS A 65 10.218 5.969 -2.168 1.00 1.00 H new