USER MOD reduce.3.24.130724 H: found=0, std=0, add=781, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 783 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 20 GLN : amide:sc= -3.32! C(o=-4.3!,f=-17!) USER MOD Set 1.2: A 62 CYS SG : rot -143:sc= -0.99 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.421 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ -149:sc= 0.24 (180deg=0.0213) USER MOD Single : A 15 HIS :FLIP no HD1:sc= -4.46! C(o=-8.7!,f=-4.5!) USER MOD Single : A 19 LYS NZ :NH3+ 150:sc= -1.7! (180deg=-2.37!) USER MOD Single : A 22 LYS NZ :NH3+ -159:sc= -0.102 (180deg=-0.998) USER MOD Single : A 24 HIS : no HD1:sc= -8.77! C(o=-8.8!,f=-14!) USER MOD Single : A 27 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.38) USER MOD Single : A 28 LYS NZ :NH3+ 149:sc= -1.45 (180deg=-4.69!) USER MOD Single : A 29 SER OG : rot 60:sc= 1.17 USER MOD Single : A 30 ASN : amide:sc= -3.01 K(o=-3,f=-4.3) USER MOD Single : A 32 GLN : amide:sc= -0.186 X(o=-0.19,f=-0.3) USER MOD Single : A 36 GLN :FLIP amide:sc= -0.614 F(o=-1.4!,f=-0.61) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= -2.42! USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0.00348 USER MOD Single : A 57 GLN : amide:sc= -10.3! C(o=-10!,f=-12!) USER MOD Single : A 64 LYS NZ :NH3+ -125:sc= 0 (180deg=-0.0475) USER MOD Single : A 67 LYS NZ :NH3+ -165:sc= -0.26 (180deg=-0.991!) USER MOD Single : A 75 LYS NZ :NH3+ -157:sc= -0.14 (180deg=-1) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0.637 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 ASN :FLIP amide:sc= -1.51 F(o=-2.5!,f=-1.5) USER MOD Single : A 85 GLN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 39 N THR A 4 -17.767 -13.851 -0.911 1.00 0.00 N ATOM 40 CA THR A 4 -17.985 -14.497 -2.235 1.00 0.00 C ATOM 41 C THR A 4 -17.279 -13.680 -3.319 1.00 0.00 C ATOM 42 O THR A 4 -17.163 -12.475 -3.223 1.00 0.00 O ATOM 43 CB THR A 4 -19.484 -14.557 -2.534 1.00 0.00 C ATOM 44 OG1 THR A 4 -19.916 -13.298 -3.032 1.00 0.00 O ATOM 45 CG2 THR A 4 -20.249 -14.892 -1.252 1.00 0.00 C ATOM 0 HA THR A 4 -17.580 -15.509 -2.219 1.00 0.00 H new ATOM 0 HB THR A 4 -19.676 -15.328 -3.280 1.00 0.00 H new ATOM 0 HG1 THR A 4 -20.876 -13.335 -3.226 1.00 0.00 H new ATOM 0 HG21 THR A 4 -21.317 -14.934 -1.466 1.00 0.00 H new ATOM 0 HG22 THR A 4 -19.916 -15.858 -0.872 1.00 0.00 H new ATOM 0 HG23 THR A 4 -20.059 -14.123 -0.504 1.00 0.00 H new ATOM 53 N GLU A 5 -16.804 -14.325 -4.348 1.00 0.00 N ATOM 54 CA GLU A 5 -16.105 -13.583 -5.435 1.00 0.00 C ATOM 55 C GLU A 5 -16.936 -12.363 -5.839 1.00 0.00 C ATOM 56 O GLU A 5 -16.411 -11.292 -6.070 1.00 0.00 O ATOM 57 CB GLU A 5 -15.925 -14.503 -6.643 1.00 0.00 C ATOM 58 CG GLU A 5 -17.295 -14.846 -7.233 1.00 0.00 C ATOM 59 CD GLU A 5 -17.166 -16.058 -8.159 1.00 0.00 C ATOM 60 OE1 GLU A 5 -16.500 -17.004 -7.775 1.00 0.00 O ATOM 61 OE2 GLU A 5 -17.736 -16.017 -9.238 1.00 0.00 O ATOM 0 H GLU A 5 -16.869 -15.334 -4.484 1.00 0.00 H new ATOM 0 HA GLU A 5 -15.129 -13.253 -5.081 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -15.305 -14.016 -7.395 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -15.407 -15.415 -6.345 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -18.003 -15.061 -6.433 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -17.688 -13.993 -7.786 1.00 0.00 H new ATOM 68 N ILE A 6 -18.229 -12.517 -5.928 1.00 0.00 N ATOM 69 CA ILE A 6 -19.093 -11.366 -6.319 1.00 0.00 C ATOM 70 C ILE A 6 -18.939 -10.238 -5.296 1.00 0.00 C ATOM 71 O ILE A 6 -18.628 -9.114 -5.640 1.00 0.00 O ATOM 72 CB ILE A 6 -20.553 -11.819 -6.364 1.00 0.00 C ATOM 73 CG1 ILE A 6 -20.672 -13.064 -7.246 1.00 0.00 C ATOM 74 CG2 ILE A 6 -21.419 -10.698 -6.946 1.00 0.00 C ATOM 75 CD1 ILE A 6 -22.122 -13.550 -7.252 1.00 0.00 C ATOM 0 H ILE A 6 -18.725 -13.390 -5.747 1.00 0.00 H new ATOM 0 HA ILE A 6 -18.793 -11.005 -7.303 1.00 0.00 H new ATOM 0 HB ILE A 6 -20.892 -12.053 -5.355 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -20.350 -12.835 -8.262 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -20.016 -13.850 -6.873 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -22.459 -11.021 -6.978 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -21.334 -9.810 -6.320 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -21.081 -10.464 -7.955 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -22.206 -14.437 -7.880 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -22.428 -13.796 -6.235 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -22.767 -12.764 -7.645 1.00 0.00 H new ATOM 87 N GLU A 7 -19.154 -10.526 -4.041 1.00 0.00 N ATOM 88 CA GLU A 7 -19.022 -9.467 -3.001 1.00 0.00 C ATOM 89 C GLU A 7 -17.674 -8.759 -3.159 1.00 0.00 C ATOM 90 O GLU A 7 -17.609 -7.557 -3.321 1.00 0.00 O ATOM 91 CB GLU A 7 -19.106 -10.103 -1.611 1.00 0.00 C ATOM 92 CG GLU A 7 -20.546 -10.539 -1.336 1.00 0.00 C ATOM 93 CD GLU A 7 -20.585 -11.409 -0.077 1.00 0.00 C ATOM 94 OE1 GLU A 7 -19.585 -11.453 0.619 1.00 0.00 O ATOM 95 OE2 GLU A 7 -21.614 -12.017 0.167 1.00 0.00 O ATOM 0 H GLU A 7 -19.415 -11.448 -3.692 1.00 0.00 H new ATOM 0 HA GLU A 7 -19.827 -8.742 -3.118 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -18.437 -10.962 -1.551 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -18.779 -9.391 -0.853 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -21.183 -9.664 -1.206 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -20.938 -11.095 -2.188 1.00 0.00 H new ATOM 102 N LYS A 8 -16.598 -9.495 -3.112 1.00 0.00 N ATOM 103 CA LYS A 8 -15.255 -8.866 -3.258 1.00 0.00 C ATOM 104 C LYS A 8 -15.230 -7.984 -4.506 1.00 0.00 C ATOM 105 O LYS A 8 -14.661 -6.915 -4.506 1.00 0.00 O ATOM 106 CB LYS A 8 -14.191 -9.958 -3.386 1.00 0.00 C ATOM 107 CG LYS A 8 -14.227 -10.853 -2.144 1.00 0.00 C ATOM 108 CD LYS A 8 -13.076 -11.864 -2.198 1.00 0.00 C ATOM 109 CE LYS A 8 -11.800 -11.231 -1.634 1.00 0.00 C ATOM 110 NZ LYS A 8 -10.723 -12.259 -1.572 1.00 0.00 N ATOM 0 H LYS A 8 -16.591 -10.506 -2.979 1.00 0.00 H new ATOM 0 HA LYS A 8 -15.048 -8.254 -2.380 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -14.371 -10.553 -4.281 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -13.204 -9.508 -3.495 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -14.146 -10.244 -1.243 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -15.181 -11.377 -2.090 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -13.335 -12.754 -1.625 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -12.910 -12.184 -3.226 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -11.486 -10.397 -2.262 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -11.990 -10.827 -0.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -9.856 -11.831 -1.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -11.024 -13.041 -0.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -10.536 -12.624 -2.528 1.00 0.00 H new ATOM 124 N LEU A 9 -15.836 -8.421 -5.574 1.00 0.00 N ATOM 125 CA LEU A 9 -15.831 -7.594 -6.812 1.00 0.00 C ATOM 126 C LEU A 9 -16.644 -6.318 -6.575 1.00 0.00 C ATOM 127 O LEU A 9 -16.255 -5.239 -6.976 1.00 0.00 O ATOM 128 CB LEU A 9 -16.453 -8.394 -7.964 1.00 0.00 C ATOM 129 CG LEU A 9 -15.410 -9.351 -8.558 1.00 0.00 C ATOM 130 CD1 LEU A 9 -16.116 -10.553 -9.191 1.00 0.00 C ATOM 131 CD2 LEU A 9 -14.595 -8.623 -9.632 1.00 0.00 C ATOM 0 H LEU A 9 -16.332 -9.310 -5.643 1.00 0.00 H new ATOM 0 HA LEU A 9 -14.806 -7.328 -7.069 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -17.313 -8.958 -7.604 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -16.817 -7.715 -8.735 1.00 0.00 H new ATOM 0 HG LEU A 9 -14.746 -9.693 -7.764 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -15.373 -11.231 -9.612 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -16.695 -11.077 -8.431 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -16.782 -10.209 -9.982 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -13.855 -9.305 -10.052 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -15.261 -8.278 -10.423 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -14.088 -7.767 -9.186 1.00 0.00 H new ATOM 143 N GLU A 10 -17.770 -6.435 -5.926 1.00 0.00 N ATOM 144 CA GLU A 10 -18.610 -5.232 -5.665 1.00 0.00 C ATOM 145 C GLU A 10 -17.807 -4.203 -4.864 1.00 0.00 C ATOM 146 O GLU A 10 -17.734 -3.044 -5.224 1.00 0.00 O ATOM 147 CB GLU A 10 -19.850 -5.644 -4.866 1.00 0.00 C ATOM 148 CG GLU A 10 -20.844 -4.483 -4.828 1.00 0.00 C ATOM 149 CD GLU A 10 -21.995 -4.825 -3.881 1.00 0.00 C ATOM 150 OE1 GLU A 10 -21.720 -5.333 -2.805 1.00 0.00 O ATOM 151 OE2 GLU A 10 -23.132 -4.575 -4.246 1.00 0.00 O ATOM 0 H GLU A 10 -18.145 -7.312 -5.565 1.00 0.00 H new ATOM 0 HA GLU A 10 -18.914 -4.791 -6.614 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -20.314 -6.519 -5.321 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -19.565 -5.925 -3.852 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -20.344 -3.573 -4.495 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -21.229 -4.287 -5.829 1.00 0.00 H new ATOM 158 N ILE A 11 -17.211 -4.611 -3.778 1.00 0.00 N ATOM 159 CA ILE A 11 -16.424 -3.648 -2.955 1.00 0.00 C ATOM 160 C ILE A 11 -15.093 -3.336 -3.643 1.00 0.00 C ATOM 161 O ILE A 11 -14.851 -2.225 -4.052 1.00 0.00 O ATOM 162 CB ILE A 11 -16.154 -4.244 -1.564 1.00 0.00 C ATOM 163 CG1 ILE A 11 -16.083 -5.777 -1.654 1.00 0.00 C ATOM 164 CG2 ILE A 11 -17.281 -3.845 -0.607 1.00 0.00 C ATOM 165 CD1 ILE A 11 -15.111 -6.306 -0.596 1.00 0.00 C ATOM 0 H ILE A 11 -17.234 -5.568 -3.425 1.00 0.00 H new ATOM 0 HA ILE A 11 -16.998 -2.728 -2.848 1.00 0.00 H new ATOM 0 HB ILE A 11 -15.204 -3.861 -1.192 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -17.073 -6.207 -1.501 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -15.754 -6.079 -2.648 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -17.088 -4.268 0.379 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -17.328 -2.759 -0.533 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -18.231 -4.224 -0.985 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -15.060 -7.393 -0.659 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -14.120 -5.886 -0.770 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -15.459 -6.016 0.395 1.00 0.00 H new ATOM 177 N VAL A 12 -14.228 -4.304 -3.766 1.00 0.00 N ATOM 178 CA VAL A 12 -12.906 -4.057 -4.415 1.00 0.00 C ATOM 179 C VAL A 12 -13.064 -3.118 -5.611 1.00 0.00 C ATOM 180 O VAL A 12 -12.220 -2.282 -5.865 1.00 0.00 O ATOM 181 CB VAL A 12 -12.310 -5.384 -4.890 1.00 0.00 C ATOM 182 CG1 VAL A 12 -10.953 -5.126 -5.546 1.00 0.00 C ATOM 183 CG2 VAL A 12 -12.129 -6.322 -3.693 1.00 0.00 C ATOM 0 H VAL A 12 -14.379 -5.260 -3.444 1.00 0.00 H new ATOM 0 HA VAL A 12 -12.242 -3.593 -3.686 1.00 0.00 H new ATOM 0 HB VAL A 12 -12.982 -5.846 -5.613 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -10.527 -6.070 -5.885 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -11.082 -4.459 -6.399 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -10.281 -4.664 -4.823 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -11.704 -7.267 -4.032 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -11.457 -5.862 -2.968 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -13.096 -6.506 -3.225 1.00 0.00 H new ATOM 193 N LYS A 13 -14.115 -3.254 -6.365 1.00 0.00 N ATOM 194 CA LYS A 13 -14.287 -2.368 -7.548 1.00 0.00 C ATOM 195 C LYS A 13 -14.877 -1.005 -7.154 1.00 0.00 C ATOM 196 O LYS A 13 -14.509 0.015 -7.703 1.00 0.00 O ATOM 197 CB LYS A 13 -15.206 -3.051 -8.566 1.00 0.00 C ATOM 198 CG LYS A 13 -15.276 -2.214 -9.857 1.00 0.00 C ATOM 199 CD LYS A 13 -16.628 -1.493 -9.946 1.00 0.00 C ATOM 200 CE LYS A 13 -17.697 -2.464 -10.457 1.00 0.00 C ATOM 201 NZ LYS A 13 -19.049 -1.939 -10.115 1.00 0.00 N ATOM 0 H LYS A 13 -14.859 -3.936 -6.216 1.00 0.00 H new ATOM 0 HA LYS A 13 -13.304 -2.193 -7.986 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -14.834 -4.051 -8.791 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -16.204 -3.169 -8.145 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -14.465 -1.486 -9.872 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -15.141 -2.859 -10.725 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -16.911 -1.108 -8.966 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -16.551 -0.636 -10.615 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -17.605 -2.588 -11.536 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -17.553 -3.448 -10.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -19.701 -2.734 -9.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -18.990 -1.367 -9.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -19.400 -1.349 -10.896 1.00 0.00 H new ATOM 215 N ASP A 14 -15.815 -0.975 -6.248 1.00 0.00 N ATOM 216 CA ASP A 14 -16.450 0.329 -5.872 1.00 0.00 C ATOM 217 C ASP A 14 -15.604 1.122 -4.861 1.00 0.00 C ATOM 218 O ASP A 14 -15.488 2.325 -4.956 1.00 0.00 O ATOM 219 CB ASP A 14 -17.824 0.053 -5.258 1.00 0.00 C ATOM 220 CG ASP A 14 -18.742 -0.566 -6.315 1.00 0.00 C ATOM 221 OD1 ASP A 14 -18.552 -0.267 -7.483 1.00 0.00 O ATOM 222 OD2 ASP A 14 -19.618 -1.327 -5.939 1.00 0.00 O ATOM 0 H ASP A 14 -16.171 -1.791 -5.751 1.00 0.00 H new ATOM 0 HA ASP A 14 -16.535 0.929 -6.778 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -17.725 -0.621 -4.407 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -18.258 0.979 -4.882 1.00 0.00 H new ATOM 227 N HIS A 15 -15.058 0.471 -3.870 1.00 0.00 N ATOM 228 CA HIS A 15 -14.273 1.201 -2.825 1.00 0.00 C ATOM 229 C HIS A 15 -12.962 1.785 -3.381 1.00 0.00 C ATOM 230 O HIS A 15 -12.553 2.862 -2.993 1.00 0.00 O ATOM 231 CB HIS A 15 -13.959 0.241 -1.670 1.00 0.00 C ATOM 232 CG HIS A 15 -12.678 -0.501 -1.945 1.00 0.00 C ATOM 233 ND1 HIS A 15 -12.245 -1.209 -3.038 1.00 0.00 N flip ATOM 234 CD2 HIS A 15 -11.647 -0.566 -1.018 1.00 0.00 C flip ATOM 235 CE1 HIS A 15 -10.970 -1.704 -2.795 1.00 0.00 C flip ATOM 236 NE2 HIS A 15 -10.653 -1.290 -1.566 1.00 0.00 N flip ATOM 0 H HIS A 15 -15.120 -0.538 -3.736 1.00 0.00 H new ATOM 0 HA HIS A 15 -14.879 2.037 -2.476 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -13.872 0.798 -0.737 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -14.778 -0.467 -1.543 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -11.643 -0.117 -0.036 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -10.362 -2.299 -3.461 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -9.769 -1.496 -1.101 1.00 0.00 H new ATOM 245 N LEU A 16 -12.281 1.079 -4.242 1.00 0.00 N ATOM 246 CA LEU A 16 -10.975 1.593 -4.768 1.00 0.00 C ATOM 247 C LEU A 16 -11.021 3.107 -5.012 1.00 0.00 C ATOM 248 O LEU A 16 -10.046 3.800 -4.799 1.00 0.00 O ATOM 249 CB LEU A 16 -10.604 0.875 -6.075 1.00 0.00 C ATOM 250 CG LEU A 16 -11.785 0.879 -7.062 1.00 0.00 C ATOM 251 CD1 LEU A 16 -11.921 2.249 -7.752 1.00 0.00 C ATOM 252 CD2 LEU A 16 -11.544 -0.194 -8.130 1.00 0.00 C ATOM 0 H LEU A 16 -12.568 0.170 -4.606 1.00 0.00 H new ATOM 0 HA LEU A 16 -10.217 1.390 -4.011 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -9.743 1.364 -6.531 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -10.310 -0.152 -5.859 1.00 0.00 H new ATOM 0 HG LEU A 16 -12.702 0.674 -6.510 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -12.763 2.226 -8.444 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -12.091 3.020 -7.000 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -11.006 2.473 -8.301 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -12.376 -0.199 -8.835 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -10.618 0.024 -8.663 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -11.466 -1.171 -7.653 1.00 0.00 H new ATOM 264 N LEU A 17 -12.116 3.627 -5.489 1.00 0.00 N ATOM 265 CA LEU A 17 -12.172 5.092 -5.775 1.00 0.00 C ATOM 266 C LEU A 17 -12.192 5.911 -4.473 1.00 0.00 C ATOM 267 O LEU A 17 -11.251 6.616 -4.178 1.00 0.00 O ATOM 268 CB LEU A 17 -13.416 5.405 -6.623 1.00 0.00 C ATOM 269 CG LEU A 17 -13.027 5.522 -8.105 1.00 0.00 C ATOM 270 CD1 LEU A 17 -14.258 5.271 -8.979 1.00 0.00 C ATOM 271 CD2 LEU A 17 -12.488 6.929 -8.385 1.00 0.00 C ATOM 0 H LEU A 17 -12.970 3.108 -5.693 1.00 0.00 H new ATOM 0 HA LEU A 17 -11.277 5.371 -6.330 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -14.160 4.619 -6.495 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -13.873 6.335 -6.284 1.00 0.00 H new ATOM 0 HG LEU A 17 -12.259 4.784 -8.334 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -13.981 5.354 -10.030 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -14.645 4.271 -8.784 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -15.026 6.009 -8.747 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -12.212 7.011 -9.436 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -13.257 7.666 -8.153 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -11.611 7.113 -7.765 1.00 0.00 H new ATOM 283 N PRO A 18 -13.252 5.842 -3.709 1.00 0.00 N ATOM 284 CA PRO A 18 -13.377 6.624 -2.439 1.00 0.00 C ATOM 285 C PRO A 18 -12.332 6.232 -1.385 1.00 0.00 C ATOM 286 O PRO A 18 -11.709 7.076 -0.773 1.00 0.00 O ATOM 287 CB PRO A 18 -14.790 6.291 -1.939 1.00 0.00 C ATOM 288 CG PRO A 18 -15.133 4.994 -2.588 1.00 0.00 C ATOM 289 CD PRO A 18 -14.445 5.016 -3.950 1.00 0.00 C ATOM 0 HA PRO A 18 -13.210 7.687 -2.614 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -14.815 6.207 -0.852 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -15.500 7.070 -2.215 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -14.786 4.153 -1.988 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -16.212 4.884 -2.697 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -14.180 4.013 -4.284 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -15.086 5.448 -4.718 1.00 0.00 H new ATOM 297 N LYS A 19 -12.150 4.963 -1.157 1.00 0.00 N ATOM 298 CA LYS A 19 -11.161 4.522 -0.130 1.00 0.00 C ATOM 299 C LYS A 19 -9.831 5.261 -0.316 1.00 0.00 C ATOM 300 O LYS A 19 -9.270 5.789 0.623 1.00 0.00 O ATOM 301 CB LYS A 19 -10.927 3.014 -0.265 1.00 0.00 C ATOM 302 CG LYS A 19 -10.272 2.473 1.014 1.00 0.00 C ATOM 303 CD LYS A 19 -11.355 2.069 2.019 1.00 0.00 C ATOM 304 CE LYS A 19 -10.700 1.685 3.347 1.00 0.00 C ATOM 305 NZ LYS A 19 -9.978 0.391 3.189 1.00 0.00 N ATOM 0 H LYS A 19 -12.643 4.209 -1.637 1.00 0.00 H new ATOM 0 HA LYS A 19 -11.556 4.750 0.860 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -11.874 2.504 -0.443 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -10.289 2.811 -1.125 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -9.644 1.614 0.777 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -9.623 3.232 1.450 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -12.052 2.893 2.170 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -11.933 1.230 1.630 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -10.006 2.465 3.661 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -11.457 1.599 4.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -9.164 0.366 3.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -10.621 -0.395 3.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -9.644 0.297 2.209 1.00 0.00 H new ATOM 319 N GLN A 20 -9.314 5.286 -1.512 1.00 0.00 N ATOM 320 CA GLN A 20 -8.009 5.971 -1.751 1.00 0.00 C ATOM 321 C GLN A 20 -8.205 7.485 -1.879 1.00 0.00 C ATOM 322 O GLN A 20 -7.511 8.261 -1.253 1.00 0.00 O ATOM 323 CB GLN A 20 -7.391 5.427 -3.042 1.00 0.00 C ATOM 324 CG GLN A 20 -6.967 3.969 -2.832 1.00 0.00 C ATOM 325 CD GLN A 20 -6.916 3.246 -4.181 1.00 0.00 C ATOM 326 OE1 GLN A 20 -6.439 3.791 -5.157 1.00 0.00 O ATOM 327 NE2 GLN A 20 -7.392 2.035 -4.277 1.00 0.00 N ATOM 0 H GLN A 20 -9.738 4.862 -2.337 1.00 0.00 H new ATOM 0 HA GLN A 20 -7.349 5.779 -0.905 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -8.110 5.494 -3.858 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -6.529 6.030 -3.327 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -5.990 3.930 -2.351 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -7.670 3.468 -2.167 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -7.792 1.578 -3.458 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -7.364 1.545 -5.171 1.00 0.00 H new ATOM 336 N ILE A 21 -9.123 7.916 -2.700 1.00 0.00 N ATOM 337 CA ILE A 21 -9.335 9.383 -2.884 1.00 0.00 C ATOM 338 C ILE A 21 -9.448 10.094 -1.530 1.00 0.00 C ATOM 339 O ILE A 21 -8.988 11.201 -1.376 1.00 0.00 O ATOM 340 CB ILE A 21 -10.603 9.632 -3.724 1.00 0.00 C ATOM 341 CG1 ILE A 21 -10.391 10.861 -4.621 1.00 0.00 C ATOM 342 CG2 ILE A 21 -11.809 9.882 -2.813 1.00 0.00 C ATOM 343 CD1 ILE A 21 -9.327 10.560 -5.685 1.00 0.00 C ATOM 0 H ILE A 21 -9.737 7.317 -3.252 1.00 0.00 H new ATOM 0 HA ILE A 21 -8.473 9.791 -3.411 1.00 0.00 H new ATOM 0 HB ILE A 21 -10.794 8.750 -4.335 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -11.330 11.136 -5.102 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -10.081 11.713 -4.016 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -12.696 10.056 -3.423 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -11.971 9.012 -2.177 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -11.620 10.756 -2.190 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -9.184 11.438 -6.315 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -8.386 10.307 -5.197 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -9.654 9.721 -6.299 1.00 0.00 H new ATOM 355 N LYS A 22 -10.080 9.496 -0.558 1.00 0.00 N ATOM 356 CA LYS A 22 -10.226 10.189 0.757 1.00 0.00 C ATOM 357 C LYS A 22 -8.859 10.343 1.436 1.00 0.00 C ATOM 358 O LYS A 22 -8.246 11.396 1.383 1.00 0.00 O ATOM 359 CB LYS A 22 -11.171 9.384 1.658 1.00 0.00 C ATOM 360 CG LYS A 22 -11.792 10.310 2.708 1.00 0.00 C ATOM 361 CD LYS A 22 -12.757 9.513 3.593 1.00 0.00 C ATOM 362 CE LYS A 22 -13.779 10.462 4.226 1.00 0.00 C ATOM 363 NZ LYS A 22 -13.123 11.763 4.542 1.00 0.00 N ATOM 0 H LYS A 22 -10.498 8.567 -0.614 1.00 0.00 H new ATOM 0 HA LYS A 22 -10.643 11.182 0.590 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -11.954 8.920 1.058 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -10.625 8.578 2.147 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -11.009 10.759 3.319 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -12.322 11.127 2.219 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -13.269 8.755 3.000 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -12.203 8.988 4.371 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -14.615 10.620 3.544 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -14.188 10.019 5.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -13.676 12.264 5.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -12.161 11.589 4.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -13.073 12.345 3.681 1.00 0.00 H new ATOM 377 N GLU A 23 -8.376 9.310 2.074 1.00 0.00 N ATOM 378 CA GLU A 23 -7.052 9.401 2.753 1.00 0.00 C ATOM 379 C GLU A 23 -6.071 10.140 1.843 1.00 0.00 C ATOM 380 O GLU A 23 -5.261 10.928 2.288 1.00 0.00 O ATOM 381 CB GLU A 23 -6.524 7.992 3.037 1.00 0.00 C ATOM 382 CG GLU A 23 -7.402 7.322 4.095 1.00 0.00 C ATOM 383 CD GLU A 23 -7.148 7.972 5.457 1.00 0.00 C ATOM 384 OE1 GLU A 23 -6.217 7.555 6.126 1.00 0.00 O ATOM 385 OE2 GLU A 23 -7.888 8.875 5.807 1.00 0.00 O ATOM 0 H GLU A 23 -8.842 8.406 2.154 1.00 0.00 H new ATOM 0 HA GLU A 23 -7.159 9.942 3.693 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -6.524 7.401 2.121 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -5.492 8.042 3.384 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -8.453 7.419 3.825 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -7.182 6.255 4.143 1.00 0.00 H new ATOM 392 N HIS A 24 -6.148 9.887 0.569 1.00 0.00 N ATOM 393 CA HIS A 24 -5.235 10.563 -0.391 1.00 0.00 C ATOM 394 C HIS A 24 -5.773 11.963 -0.689 1.00 0.00 C ATOM 395 O HIS A 24 -5.029 12.912 -0.815 1.00 0.00 O ATOM 396 CB HIS A 24 -5.159 9.741 -1.679 1.00 0.00 C ATOM 397 CG HIS A 24 -4.887 8.300 -1.332 1.00 0.00 C ATOM 398 ND1 HIS A 24 -5.409 7.698 -0.193 1.00 0.00 N ATOM 399 CD2 HIS A 24 -4.142 7.329 -1.957 1.00 0.00 C ATOM 400 CE1 HIS A 24 -4.974 6.424 -0.170 1.00 0.00 C ATOM 401 NE2 HIS A 24 -4.202 6.152 -1.221 1.00 0.00 N ATOM 0 H HIS A 24 -6.810 9.235 0.148 1.00 0.00 H new ATOM 0 HA HIS A 24 -4.236 10.646 0.036 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -6.094 9.824 -2.233 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -4.370 10.127 -2.325 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -3.594 7.461 -2.878 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -5.220 5.712 0.604 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -3.749 5.265 -1.440 1.00 0.00 H new ATOM 410 N GLY A 25 -7.068 12.089 -0.800 1.00 0.00 N ATOM 411 CA GLY A 25 -7.689 13.418 -1.082 1.00 0.00 C ATOM 412 C GLY A 25 -6.987 14.502 -0.267 1.00 0.00 C ATOM 413 O GLY A 25 -6.797 15.609 -0.729 1.00 0.00 O ATOM 0 H GLY A 25 -7.731 11.319 -0.706 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -7.616 13.645 -2.146 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -8.750 13.394 -0.834 1.00 0.00 H new ATOM 417 N LEU A 26 -6.613 14.196 0.949 1.00 0.00 N ATOM 418 CA LEU A 26 -5.932 15.217 1.804 1.00 0.00 C ATOM 419 C LEU A 26 -4.989 16.058 0.932 1.00 0.00 C ATOM 420 O LEU A 26 -4.895 17.259 1.085 1.00 0.00 O ATOM 421 CB LEU A 26 -5.129 14.503 2.906 1.00 0.00 C ATOM 422 CG LEU A 26 -5.655 14.905 4.288 1.00 0.00 C ATOM 423 CD1 LEU A 26 -5.122 13.929 5.338 1.00 0.00 C ATOM 424 CD2 LEU A 26 -5.180 16.321 4.626 1.00 0.00 C ATOM 0 H LEU A 26 -6.749 13.285 1.387 1.00 0.00 H new ATOM 0 HA LEU A 26 -6.673 15.869 2.265 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.205 13.423 2.780 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.073 14.760 2.822 1.00 0.00 H new ATOM 0 HG LEU A 26 -6.745 14.879 4.282 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -5.495 14.213 6.322 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.458 12.920 5.100 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.032 13.957 5.341 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -5.555 16.606 5.609 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -4.090 16.348 4.631 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.556 17.019 3.878 1.00 0.00 H new ATOM 436 N LYS A 27 -4.311 15.437 0.005 1.00 0.00 N ATOM 437 CA LYS A 27 -3.398 16.197 -0.895 1.00 0.00 C ATOM 438 C LYS A 27 -4.115 16.434 -2.226 1.00 0.00 C ATOM 439 O LYS A 27 -5.143 15.846 -2.496 1.00 0.00 O ATOM 440 CB LYS A 27 -2.121 15.384 -1.139 1.00 0.00 C ATOM 441 CG LYS A 27 -1.175 15.552 0.052 1.00 0.00 C ATOM 442 CD LYS A 27 0.030 14.622 -0.116 1.00 0.00 C ATOM 443 CE LYS A 27 1.145 15.048 0.843 1.00 0.00 C ATOM 444 NZ LYS A 27 0.604 15.134 2.229 1.00 0.00 N ATOM 0 H LYS A 27 -4.351 14.433 -0.168 1.00 0.00 H new ATOM 0 HA LYS A 27 -3.131 17.150 -0.438 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -2.368 14.331 -1.276 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -1.633 15.718 -2.055 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -0.842 16.587 0.122 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -1.698 15.323 0.980 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -0.262 13.591 0.085 1.00 0.00 H new ATOM 0 HD3 LYS A 27 0.388 14.657 -1.145 1.00 0.00 H new ATOM 0 HE2 LYS A 27 1.965 14.331 0.805 1.00 0.00 H new ATOM 0 HE3 LYS A 27 1.551 16.013 0.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 1.388 15.085 2.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.096 16.034 2.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.050 14.343 2.396 1.00 0.00 H new ATOM 458 N LYS A 28 -3.588 17.286 -3.061 1.00 0.00 N ATOM 459 CA LYS A 28 -4.253 17.549 -4.369 1.00 0.00 C ATOM 460 C LYS A 28 -4.638 16.218 -5.020 1.00 0.00 C ATOM 461 O LYS A 28 -4.053 15.191 -4.744 1.00 0.00 O ATOM 462 CB LYS A 28 -3.291 18.306 -5.286 1.00 0.00 C ATOM 463 CG LYS A 28 -1.992 17.506 -5.433 1.00 0.00 C ATOM 464 CD LYS A 28 -0.977 18.301 -6.270 1.00 0.00 C ATOM 465 CE LYS A 28 -1.160 17.981 -7.758 1.00 0.00 C ATOM 466 NZ LYS A 28 -2.461 18.532 -8.231 1.00 0.00 N ATOM 0 H LYS A 28 -2.729 17.810 -2.896 1.00 0.00 H new ATOM 0 HA LYS A 28 -5.149 18.148 -4.209 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -3.748 18.460 -6.263 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -3.079 19.293 -4.874 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -1.575 17.290 -4.449 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -2.197 16.547 -5.910 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -1.111 19.369 -6.100 1.00 0.00 H new ATOM 0 HD3 LYS A 28 0.038 18.053 -5.958 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -0.341 18.409 -8.336 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -1.132 16.903 -7.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -2.382 18.798 -9.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -3.203 17.812 -8.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -2.707 19.372 -7.669 1.00 0.00 H new ATOM 480 N SER A 29 -5.619 16.227 -5.885 1.00 0.00 N ATOM 481 CA SER A 29 -6.038 14.962 -6.554 1.00 0.00 C ATOM 482 C SER A 29 -4.796 14.202 -7.022 1.00 0.00 C ATOM 483 O SER A 29 -4.277 14.443 -8.094 1.00 0.00 O ATOM 484 CB SER A 29 -6.920 15.290 -7.759 1.00 0.00 C ATOM 485 OG SER A 29 -6.164 16.034 -8.705 1.00 0.00 O ATOM 0 H SER A 29 -6.147 17.056 -6.156 1.00 0.00 H new ATOM 0 HA SER A 29 -6.600 14.346 -5.852 1.00 0.00 H new ATOM 0 HB2 SER A 29 -7.291 14.371 -8.214 1.00 0.00 H new ATOM 0 HB3 SER A 29 -7.791 15.863 -7.441 1.00 0.00 H new ATOM 0 HG SER A 29 -5.391 15.505 -8.995 1.00 0.00 H new ATOM 491 N ASN A 30 -4.308 13.296 -6.217 1.00 0.00 N ATOM 492 CA ASN A 30 -3.088 12.523 -6.596 1.00 0.00 C ATOM 493 C ASN A 30 -3.442 11.045 -6.789 1.00 0.00 C ATOM 494 O ASN A 30 -2.866 10.178 -6.164 1.00 0.00 O ATOM 495 CB ASN A 30 -2.049 12.656 -5.478 1.00 0.00 C ATOM 496 CG ASN A 30 -0.661 12.309 -6.020 1.00 0.00 C ATOM 497 OD1 ASN A 30 -0.032 11.375 -5.561 1.00 0.00 O ATOM 498 ND2 ASN A 30 -0.153 13.024 -6.987 1.00 0.00 N ATOM 0 H ASN A 30 -4.704 13.057 -5.308 1.00 0.00 H new ATOM 0 HA ASN A 30 -2.685 12.915 -7.530 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -2.053 13.672 -5.084 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -2.303 11.993 -4.651 1.00 0.00 H new ATOM 0 HD21 ASN A 30 0.771 12.799 -7.357 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -0.680 13.808 -7.373 1.00 0.00 H new ATOM 505 N LEU A 31 -4.382 10.746 -7.646 1.00 0.00 N ATOM 506 CA LEU A 31 -4.753 9.317 -7.861 1.00 0.00 C ATOM 507 C LEU A 31 -5.498 9.150 -9.190 1.00 0.00 C ATOM 508 O LEU A 31 -6.579 9.672 -9.375 1.00 0.00 O ATOM 509 CB LEU A 31 -5.658 8.857 -6.716 1.00 0.00 C ATOM 510 CG LEU A 31 -5.820 7.331 -6.759 1.00 0.00 C ATOM 511 CD1 LEU A 31 -4.633 6.659 -6.062 1.00 0.00 C ATOM 512 CD2 LEU A 31 -7.115 6.938 -6.044 1.00 0.00 C ATOM 0 H LEU A 31 -4.905 11.423 -8.202 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.844 8.716 -7.889 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.231 9.159 -5.760 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.633 9.337 -6.796 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.858 7.004 -7.798 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.756 5.577 -6.097 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.709 6.936 -6.569 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.589 6.986 -5.023 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -7.232 5.855 -6.073 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -7.073 7.271 -5.007 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -7.963 7.408 -6.542 1.00 0.00 H new ATOM 524 N GLN A 32 -4.938 8.407 -10.111 1.00 0.00 N ATOM 525 CA GLN A 32 -5.623 8.186 -11.418 1.00 0.00 C ATOM 526 C GLN A 32 -5.357 6.751 -11.874 1.00 0.00 C ATOM 527 O GLN A 32 -4.389 6.471 -12.547 1.00 0.00 O ATOM 528 CB GLN A 32 -5.091 9.183 -12.453 1.00 0.00 C ATOM 529 CG GLN A 32 -5.602 8.816 -13.852 1.00 0.00 C ATOM 530 CD GLN A 32 -7.121 8.629 -13.815 1.00 0.00 C ATOM 531 OE1 GLN A 32 -7.837 9.473 -13.314 1.00 0.00 O ATOM 532 NE2 GLN A 32 -7.646 7.551 -14.330 1.00 0.00 N ATOM 0 H GLN A 32 -4.035 7.944 -10.013 1.00 0.00 H new ATOM 0 HA GLN A 32 -6.697 8.339 -11.311 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -5.410 10.192 -12.194 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -4.001 9.181 -12.444 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -5.340 9.600 -14.562 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -5.122 7.900 -14.196 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -7.045 6.842 -14.751 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -8.657 7.417 -14.312 1.00 0.00 H new ATOM 541 N LEU A 33 -6.206 5.832 -11.496 1.00 0.00 N ATOM 542 CA LEU A 33 -5.998 4.408 -11.892 1.00 0.00 C ATOM 543 C LEU A 33 -7.316 3.809 -12.385 1.00 0.00 C ATOM 544 O LEU A 33 -8.387 4.257 -12.025 1.00 0.00 O ATOM 545 CB LEU A 33 -5.501 3.616 -10.676 1.00 0.00 C ATOM 546 CG LEU A 33 -6.622 3.507 -9.625 1.00 0.00 C ATOM 547 CD1 LEU A 33 -7.276 2.123 -9.695 1.00 0.00 C ATOM 548 CD2 LEU A 33 -6.036 3.711 -8.225 1.00 0.00 C ATOM 0 H LEU A 33 -7.036 6.006 -10.929 1.00 0.00 H new ATOM 0 HA LEU A 33 -5.261 4.358 -12.693 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.183 2.620 -10.985 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.631 4.108 -10.242 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.371 4.273 -9.829 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -8.067 2.056 -8.948 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -7.700 1.971 -10.687 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.527 1.356 -9.499 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -6.831 3.634 -7.483 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.283 2.947 -8.031 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.577 4.698 -8.163 1.00 0.00 H new ATOM 560 N ARG A 34 -7.243 2.792 -13.202 1.00 0.00 N ATOM 561 CA ARG A 34 -8.485 2.150 -13.719 1.00 0.00 C ATOM 562 C ARG A 34 -8.749 0.860 -12.939 1.00 0.00 C ATOM 563 O ARG A 34 -7.848 0.262 -12.387 1.00 0.00 O ATOM 564 CB ARG A 34 -8.307 1.813 -15.200 1.00 0.00 C ATOM 565 CG ARG A 34 -8.228 3.105 -16.018 1.00 0.00 C ATOM 566 CD ARG A 34 -8.151 2.757 -17.505 1.00 0.00 C ATOM 567 NE ARG A 34 -8.324 3.995 -18.316 1.00 0.00 N ATOM 568 CZ ARG A 34 -8.436 3.913 -19.614 1.00 0.00 C ATOM 569 NH1 ARG A 34 -8.396 2.747 -20.200 1.00 0.00 N ATOM 570 NH2 ARG A 34 -8.586 4.996 -20.325 1.00 0.00 N ATOM 0 H ARG A 34 -6.372 2.377 -13.534 1.00 0.00 H new ATOM 0 HA ARG A 34 -9.325 2.834 -13.598 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -7.400 1.225 -15.343 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -9.141 1.202 -15.547 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -9.102 3.727 -15.823 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -7.353 3.683 -15.722 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -7.191 2.293 -17.731 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -8.924 2.032 -17.760 1.00 0.00 H new ATOM 0 HE ARG A 34 -8.355 4.906 -17.857 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -8.277 1.900 -19.644 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -8.484 2.683 -21.214 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -8.616 5.907 -19.867 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -8.674 4.932 -21.339 1.00 0.00 H new ATOM 584 N ASP A 35 -9.976 0.421 -12.895 1.00 0.00 N ATOM 585 CA ASP A 35 -10.291 -0.832 -12.155 1.00 0.00 C ATOM 586 C ASP A 35 -9.329 -1.939 -12.598 1.00 0.00 C ATOM 587 O ASP A 35 -8.867 -2.729 -11.799 1.00 0.00 O ATOM 588 CB ASP A 35 -11.731 -1.253 -12.458 1.00 0.00 C ATOM 589 CG ASP A 35 -11.961 -1.236 -13.971 1.00 0.00 C ATOM 590 OD1 ASP A 35 -11.730 -0.202 -14.573 1.00 0.00 O ATOM 591 OD2 ASP A 35 -12.364 -2.259 -14.500 1.00 0.00 O ATOM 0 H ASP A 35 -10.774 0.876 -13.339 1.00 0.00 H new ATOM 0 HA ASP A 35 -10.181 -0.662 -11.084 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -11.920 -2.251 -12.062 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -12.430 -0.577 -11.966 1.00 0.00 H new ATOM 596 N GLN A 36 -9.027 -2.001 -13.866 1.00 0.00 N ATOM 597 CA GLN A 36 -8.097 -3.054 -14.366 1.00 0.00 C ATOM 598 C GLN A 36 -6.836 -3.086 -13.497 1.00 0.00 C ATOM 599 O GLN A 36 -6.352 -4.137 -13.127 1.00 0.00 O ATOM 600 CB GLN A 36 -7.705 -2.742 -15.813 1.00 0.00 C ATOM 601 CG GLN A 36 -6.666 -3.757 -16.293 1.00 0.00 C ATOM 602 CD GLN A 36 -6.444 -3.590 -17.797 1.00 0.00 C ATOM 603 OE1 GLN A 36 -7.036 -2.613 -18.428 1.00 0.00 O flip ATOM 604 NE2 GLN A 36 -5.723 -4.357 -18.406 1.00 0.00 N flip ATOM 0 H GLN A 36 -9.385 -1.366 -14.580 1.00 0.00 H new ATOM 0 HA GLN A 36 -8.594 -4.023 -14.320 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -8.586 -2.777 -16.455 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -7.300 -1.732 -15.881 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -5.727 -3.613 -15.758 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -7.004 -4.770 -16.075 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -5.260 -5.121 -17.914 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -5.581 -4.236 -19.409 1.00 0.00 H new ATOM 613 N ALA A 37 -6.297 -1.943 -13.178 1.00 0.00 N ATOM 614 CA ALA A 37 -5.062 -1.904 -12.343 1.00 0.00 C ATOM 615 C ALA A 37 -5.223 -2.823 -11.129 1.00 0.00 C ATOM 616 O ALA A 37 -4.726 -3.932 -11.109 1.00 0.00 O ATOM 617 CB ALA A 37 -4.815 -0.472 -11.867 1.00 0.00 C ATOM 0 H ALA A 37 -6.658 -1.032 -13.460 1.00 0.00 H new ATOM 0 HA ALA A 37 -4.216 -2.244 -12.940 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -3.913 -0.442 -11.256 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -4.691 0.182 -12.730 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -5.665 -0.134 -11.275 1.00 0.00 H new ATOM 623 N ILE A 38 -5.904 -2.366 -10.115 1.00 0.00 N ATOM 624 CA ILE A 38 -6.090 -3.205 -8.895 1.00 0.00 C ATOM 625 C ILE A 38 -6.457 -4.638 -9.295 1.00 0.00 C ATOM 626 O ILE A 38 -5.941 -5.595 -8.753 1.00 0.00 O ATOM 627 CB ILE A 38 -7.209 -2.612 -8.039 1.00 0.00 C ATOM 628 CG1 ILE A 38 -6.751 -1.267 -7.470 1.00 0.00 C ATOM 629 CG2 ILE A 38 -7.535 -3.568 -6.891 1.00 0.00 C ATOM 630 CD1 ILE A 38 -7.939 -0.552 -6.827 1.00 0.00 C ATOM 0 H ILE A 38 -6.341 -1.445 -10.077 1.00 0.00 H new ATOM 0 HA ILE A 38 -5.161 -3.221 -8.326 1.00 0.00 H new ATOM 0 HB ILE A 38 -8.099 -2.466 -8.651 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -5.964 -1.422 -6.732 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -6.328 -0.650 -8.263 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -8.333 -3.145 -6.281 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -7.858 -4.527 -7.297 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -6.647 -3.715 -6.276 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -7.612 0.406 -6.422 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -8.712 -0.384 -7.577 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -8.342 -1.167 -6.023 1.00 0.00 H new ATOM 642 N LEU A 39 -7.346 -4.796 -10.235 1.00 0.00 N ATOM 643 CA LEU A 39 -7.745 -6.168 -10.661 1.00 0.00 C ATOM 644 C LEU A 39 -6.489 -7.011 -10.908 1.00 0.00 C ATOM 645 O LEU A 39 -6.337 -8.092 -10.374 1.00 0.00 O ATOM 646 CB LEU A 39 -8.573 -6.075 -11.953 1.00 0.00 C ATOM 647 CG LEU A 39 -10.001 -6.578 -11.709 1.00 0.00 C ATOM 648 CD1 LEU A 39 -10.910 -6.106 -12.846 1.00 0.00 C ATOM 649 CD2 LEU A 39 -10.003 -8.108 -11.662 1.00 0.00 C ATOM 0 H LEU A 39 -7.814 -4.035 -10.727 1.00 0.00 H new ATOM 0 HA LEU A 39 -8.343 -6.638 -9.880 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -8.599 -5.043 -12.303 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.101 -6.666 -12.738 1.00 0.00 H new ATOM 0 HG LEU A 39 -10.366 -6.183 -10.761 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -11.925 -6.464 -12.673 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -10.910 -5.017 -12.883 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -10.543 -6.501 -13.793 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -11.018 -8.465 -11.489 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -9.637 -8.502 -12.610 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -9.356 -8.448 -10.854 1.00 0.00 H new ATOM 661 N ASP A 40 -5.596 -6.522 -11.718 1.00 0.00 N ATOM 662 CA ASP A 40 -4.351 -7.287 -12.016 1.00 0.00 C ATOM 663 C ASP A 40 -3.512 -7.443 -10.745 1.00 0.00 C ATOM 664 O ASP A 40 -2.926 -8.477 -10.504 1.00 0.00 O ATOM 665 CB ASP A 40 -3.537 -6.536 -13.072 1.00 0.00 C ATOM 666 CG ASP A 40 -4.342 -6.452 -14.371 1.00 0.00 C ATOM 667 OD1 ASP A 40 -5.525 -6.166 -14.294 1.00 0.00 O ATOM 668 OD2 ASP A 40 -3.760 -6.677 -15.420 1.00 0.00 O ATOM 0 H ASP A 40 -5.673 -5.621 -12.190 1.00 0.00 H new ATOM 0 HA ASP A 40 -4.620 -8.275 -12.389 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -3.295 -5.535 -12.716 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -2.591 -7.048 -13.250 1.00 0.00 H new ATOM 673 N ILE A 41 -3.438 -6.423 -9.937 1.00 0.00 N ATOM 674 CA ILE A 41 -2.623 -6.514 -8.689 1.00 0.00 C ATOM 675 C ILE A 41 -3.024 -7.753 -7.877 1.00 0.00 C ATOM 676 O ILE A 41 -2.316 -8.739 -7.838 1.00 0.00 O ATOM 677 CB ILE A 41 -2.850 -5.256 -7.843 1.00 0.00 C ATOM 678 CG1 ILE A 41 -2.145 -4.067 -8.505 1.00 0.00 C ATOM 679 CG2 ILE A 41 -2.283 -5.462 -6.436 1.00 0.00 C ATOM 680 CD1 ILE A 41 -2.589 -2.756 -7.843 1.00 0.00 C ATOM 0 H ILE A 41 -3.906 -5.529 -10.085 1.00 0.00 H new ATOM 0 HA ILE A 41 -1.570 -6.596 -8.959 1.00 0.00 H new ATOM 0 HB ILE A 41 -3.920 -5.060 -7.772 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -1.064 -4.180 -8.417 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -2.378 -4.043 -9.570 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -2.449 -4.563 -5.842 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -2.783 -6.307 -5.963 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -1.214 -5.662 -6.500 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -2.082 -1.917 -8.321 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -3.667 -2.639 -7.954 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -2.333 -2.779 -6.784 1.00 0.00 H new ATOM 692 N ILE A 42 -4.144 -7.697 -7.209 1.00 0.00 N ATOM 693 CA ILE A 42 -4.588 -8.848 -6.374 1.00 0.00 C ATOM 694 C ILE A 42 -4.463 -10.170 -7.144 1.00 0.00 C ATOM 695 O ILE A 42 -3.987 -11.157 -6.618 1.00 0.00 O ATOM 696 CB ILE A 42 -6.044 -8.624 -5.964 1.00 0.00 C ATOM 697 CG1 ILE A 42 -6.954 -8.772 -7.191 1.00 0.00 C ATOM 698 CG2 ILE A 42 -6.192 -7.215 -5.381 1.00 0.00 C ATOM 699 CD1 ILE A 42 -8.349 -8.230 -6.869 1.00 0.00 C ATOM 0 H ILE A 42 -4.775 -6.896 -7.206 1.00 0.00 H new ATOM 0 HA ILE A 42 -3.951 -8.912 -5.491 1.00 0.00 H new ATOM 0 HB ILE A 42 -6.330 -9.362 -5.215 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -6.530 -8.231 -8.037 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -7.019 -9.820 -7.483 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -7.229 -7.050 -5.087 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -5.547 -7.113 -4.509 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -5.906 -6.479 -6.132 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -8.992 -8.337 -7.743 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -8.773 -8.790 -6.036 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -8.277 -7.176 -6.599 1.00 0.00 H new ATOM 711 N ARG A 43 -4.897 -10.209 -8.374 1.00 0.00 N ATOM 712 CA ARG A 43 -4.812 -11.480 -9.153 1.00 0.00 C ATOM 713 C ARG A 43 -3.348 -11.918 -9.289 1.00 0.00 C ATOM 714 O ARG A 43 -3.030 -13.088 -9.219 1.00 0.00 O ATOM 715 CB ARG A 43 -5.422 -11.264 -10.546 1.00 0.00 C ATOM 716 CG ARG A 43 -6.235 -12.495 -10.960 1.00 0.00 C ATOM 717 CD ARG A 43 -5.311 -13.709 -11.081 1.00 0.00 C ATOM 718 NE ARG A 43 -4.134 -13.356 -11.925 1.00 0.00 N ATOM 719 CZ ARG A 43 -4.253 -13.314 -13.224 1.00 0.00 C ATOM 720 NH1 ARG A 43 -5.403 -13.576 -13.783 1.00 0.00 N ATOM 721 NH2 ARG A 43 -3.221 -13.009 -13.964 1.00 0.00 N ATOM 0 H ARG A 43 -5.306 -9.419 -8.873 1.00 0.00 H new ATOM 0 HA ARG A 43 -5.365 -12.260 -8.630 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -6.062 -10.381 -10.539 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -4.631 -11.079 -11.273 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -7.015 -12.692 -10.224 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -6.734 -12.310 -11.911 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -4.980 -14.028 -10.092 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -5.850 -14.547 -11.522 1.00 0.00 H new ATOM 0 HE ARG A 43 -3.236 -13.147 -11.488 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -6.209 -13.814 -13.205 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -5.496 -13.543 -14.798 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -2.323 -12.804 -13.527 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -3.313 -12.976 -14.979 1.00 0.00 H new ATOM 735 N TYR A 44 -2.457 -10.990 -9.493 1.00 0.00 N ATOM 736 CA TYR A 44 -1.020 -11.349 -9.647 1.00 0.00 C ATOM 737 C TYR A 44 -0.513 -11.995 -8.359 1.00 0.00 C ATOM 738 O TYR A 44 0.249 -12.941 -8.387 1.00 0.00 O ATOM 739 CB TYR A 44 -0.210 -10.081 -9.940 1.00 0.00 C ATOM 740 CG TYR A 44 -0.235 -9.785 -11.423 1.00 0.00 C ATOM 741 CD1 TYR A 44 -1.400 -10.012 -12.170 1.00 0.00 C ATOM 742 CD2 TYR A 44 0.910 -9.284 -12.050 1.00 0.00 C ATOM 743 CE1 TYR A 44 -1.416 -9.735 -13.541 1.00 0.00 C ATOM 744 CE2 TYR A 44 0.894 -9.009 -13.422 1.00 0.00 C ATOM 745 CZ TYR A 44 -0.270 -9.234 -14.168 1.00 0.00 C ATOM 746 OH TYR A 44 -0.287 -8.962 -15.521 1.00 0.00 O ATOM 0 H TYR A 44 -2.663 -9.993 -9.560 1.00 0.00 H new ATOM 0 HA TYR A 44 -0.906 -12.053 -10.471 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -0.623 -9.239 -9.385 1.00 0.00 H new ATOM 0 HB3 TYR A 44 0.819 -10.210 -9.603 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -2.284 -10.400 -11.687 1.00 0.00 H new ATOM 0 HD2 TYR A 44 1.807 -9.109 -11.475 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -2.314 -9.908 -14.116 1.00 0.00 H new ATOM 0 HE2 TYR A 44 1.779 -8.623 -13.906 1.00 0.00 H new ATOM 0 HH TYR A 44 0.589 -8.620 -15.797 1.00 0.00 H new ATOM 756 N TYR A 45 -0.927 -11.493 -7.230 1.00 0.00 N ATOM 757 CA TYR A 45 -0.460 -12.082 -5.947 1.00 0.00 C ATOM 758 C TYR A 45 -1.374 -11.633 -4.806 1.00 0.00 C ATOM 759 O TYR A 45 -0.968 -10.922 -3.910 1.00 0.00 O ATOM 760 CB TYR A 45 0.977 -11.633 -5.672 1.00 0.00 C ATOM 761 CG TYR A 45 1.006 -10.153 -5.382 1.00 0.00 C ATOM 762 CD1 TYR A 45 0.748 -9.235 -6.404 1.00 0.00 C ATOM 763 CD2 TYR A 45 1.293 -9.698 -4.088 1.00 0.00 C ATOM 764 CE1 TYR A 45 0.776 -7.862 -6.137 1.00 0.00 C ATOM 765 CE2 TYR A 45 1.319 -8.325 -3.820 1.00 0.00 C ATOM 766 CZ TYR A 45 1.061 -7.406 -4.844 1.00 0.00 C ATOM 767 OH TYR A 45 1.087 -6.053 -4.577 1.00 0.00 O ATOM 0 H TYR A 45 -1.566 -10.703 -7.141 1.00 0.00 H new ATOM 0 HA TYR A 45 -0.490 -13.169 -6.017 1.00 0.00 H new ATOM 0 HB2 TYR A 45 1.384 -12.186 -4.826 1.00 0.00 H new ATOM 0 HB3 TYR A 45 1.608 -11.856 -6.532 1.00 0.00 H new ATOM 0 HD1 TYR A 45 0.527 -9.586 -7.401 1.00 0.00 H new ATOM 0 HD2 TYR A 45 1.494 -10.407 -3.298 1.00 0.00 H new ATOM 0 HE1 TYR A 45 0.578 -7.154 -6.928 1.00 0.00 H new ATOM 0 HE2 TYR A 45 1.538 -7.974 -2.822 1.00 0.00 H new ATOM 0 HH TYR A 45 1.299 -5.910 -3.631 1.00 0.00 H new ATOM 777 N THR A 46 -2.608 -12.048 -4.831 1.00 0.00 N ATOM 778 CA THR A 46 -3.551 -11.654 -3.745 1.00 0.00 C ATOM 779 C THR A 46 -3.017 -12.156 -2.403 1.00 0.00 C ATOM 780 O THR A 46 -2.880 -11.405 -1.459 1.00 0.00 O ATOM 781 CB THR A 46 -4.926 -12.278 -4.010 1.00 0.00 C ATOM 782 OG1 THR A 46 -5.568 -12.547 -2.771 1.00 0.00 O ATOM 783 CG2 THR A 46 -4.764 -13.581 -4.796 1.00 0.00 C ATOM 0 H THR A 46 -3.007 -12.644 -5.557 1.00 0.00 H new ATOM 0 HA THR A 46 -3.643 -10.568 -3.720 1.00 0.00 H new ATOM 0 HB THR A 46 -5.530 -11.583 -4.593 1.00 0.00 H new ATOM 0 HG1 THR A 46 -6.448 -12.945 -2.938 1.00 0.00 H new ATOM 0 HG21 THR A 46 -5.745 -14.019 -4.981 1.00 0.00 H new ATOM 0 HG22 THR A 46 -4.274 -13.374 -5.747 1.00 0.00 H new ATOM 0 HG23 THR A 46 -4.157 -14.280 -4.220 1.00 0.00 H new ATOM 791 N ARG A 47 -2.725 -13.426 -2.325 1.00 0.00 N ATOM 792 CA ARG A 47 -2.197 -14.032 -1.059 1.00 0.00 C ATOM 793 C ARG A 47 -2.751 -13.298 0.168 1.00 0.00 C ATOM 794 O ARG A 47 -2.010 -12.799 0.992 1.00 0.00 O ATOM 795 CB ARG A 47 -0.662 -13.972 -1.050 1.00 0.00 C ATOM 796 CG ARG A 47 -0.181 -12.530 -1.239 1.00 0.00 C ATOM 797 CD ARG A 47 1.247 -12.395 -0.704 1.00 0.00 C ATOM 798 NE ARG A 47 1.222 -12.413 0.785 1.00 0.00 N ATOM 799 CZ ARG A 47 0.756 -11.387 1.443 1.00 0.00 C ATOM 800 NH1 ARG A 47 0.314 -10.343 0.797 1.00 0.00 N ATOM 801 NH2 ARG A 47 0.733 -11.406 2.749 1.00 0.00 N ATOM 0 H ARG A 47 -2.831 -14.084 -3.097 1.00 0.00 H new ATOM 0 HA ARG A 47 -2.520 -15.072 -1.016 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -0.282 -14.368 -0.108 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -0.263 -14.602 -1.845 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -0.212 -12.260 -2.295 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -0.844 -11.842 -0.714 1.00 0.00 H new ATOM 0 HD2 ARG A 47 1.866 -13.211 -1.078 1.00 0.00 H new ATOM 0 HD3 ARG A 47 1.694 -11.467 -1.060 1.00 0.00 H new ATOM 0 HE ARG A 47 1.569 -13.228 1.291 1.00 0.00 H new ATOM 0 HH11 ARG A 47 0.333 -10.329 -0.223 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -0.050 -9.541 1.312 1.00 0.00 H new ATOM 0 HH21 ARG A 47 1.079 -12.222 3.253 1.00 0.00 H new ATOM 0 HH22 ARG A 47 0.369 -10.605 3.264 1.00 0.00 H new ATOM 815 N GLU A 48 -4.048 -13.235 0.301 1.00 0.00 N ATOM 816 CA GLU A 48 -4.642 -12.538 1.480 1.00 0.00 C ATOM 817 C GLU A 48 -5.953 -13.223 1.872 1.00 0.00 C ATOM 818 O GLU A 48 -6.826 -13.434 1.053 1.00 0.00 O ATOM 819 CB GLU A 48 -4.916 -11.073 1.122 1.00 0.00 C ATOM 820 CG GLU A 48 -3.652 -10.242 1.355 1.00 0.00 C ATOM 821 CD GLU A 48 -3.932 -8.779 1.009 1.00 0.00 C ATOM 822 OE1 GLU A 48 -4.457 -8.081 1.860 1.00 0.00 O ATOM 823 OE2 GLU A 48 -3.616 -8.382 -0.101 1.00 0.00 O ATOM 0 H GLU A 48 -4.721 -13.634 -0.353 1.00 0.00 H new ATOM 0 HA GLU A 48 -3.946 -12.583 2.318 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -5.228 -10.995 0.080 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -5.734 -10.687 1.730 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -3.335 -10.327 2.394 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -2.836 -10.622 0.741 1.00 0.00 H new ATOM 830 N ALA A 49 -6.098 -13.568 3.124 1.00 0.00 N ATOM 831 CA ALA A 49 -7.350 -14.236 3.583 1.00 0.00 C ATOM 832 C ALA A 49 -8.255 -13.204 4.259 1.00 0.00 C ATOM 833 O ALA A 49 -8.683 -13.381 5.383 1.00 0.00 O ATOM 834 CB ALA A 49 -7.000 -15.341 4.582 1.00 0.00 C ATOM 0 H ALA A 49 -5.400 -13.415 3.851 1.00 0.00 H new ATOM 0 HA ALA A 49 -7.868 -14.671 2.728 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -7.914 -15.830 4.918 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -6.352 -16.074 4.102 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -6.484 -14.907 5.439 1.00 0.00 H new ATOM 840 N GLY A 50 -8.546 -12.125 3.586 1.00 0.00 N ATOM 841 CA GLY A 50 -9.420 -11.081 4.190 1.00 0.00 C ATOM 842 C GLY A 50 -9.401 -9.831 3.310 1.00 0.00 C ATOM 843 O GLY A 50 -8.422 -9.539 2.653 1.00 0.00 O ATOM 0 H GLY A 50 -8.216 -11.921 2.643 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -10.439 -11.456 4.287 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -9.073 -10.837 5.194 1.00 0.00 H new ATOM 847 N VAL A 51 -10.475 -9.093 3.289 1.00 0.00 N ATOM 848 CA VAL A 51 -10.517 -7.864 2.448 1.00 0.00 C ATOM 849 C VAL A 51 -9.797 -6.720 3.163 1.00 0.00 C ATOM 850 O VAL A 51 -9.030 -5.993 2.567 1.00 0.00 O ATOM 851 CB VAL A 51 -11.972 -7.468 2.195 1.00 0.00 C ATOM 852 CG1 VAL A 51 -12.689 -8.601 1.457 1.00 0.00 C ATOM 853 CG2 VAL A 51 -12.671 -7.207 3.532 1.00 0.00 C ATOM 0 H VAL A 51 -11.326 -9.287 3.817 1.00 0.00 H new ATOM 0 HA VAL A 51 -10.021 -8.064 1.498 1.00 0.00 H new ATOM 0 HB VAL A 51 -12.001 -6.563 1.588 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -13.726 -8.319 1.277 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -12.193 -8.786 0.504 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -12.660 -9.506 2.064 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -13.708 -6.925 3.351 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -12.642 -8.111 4.140 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -12.161 -6.399 4.057 1.00 0.00 H new ATOM 863 N ARG A 52 -10.039 -6.550 4.436 1.00 0.00 N ATOM 864 CA ARG A 52 -9.369 -5.447 5.186 1.00 0.00 C ATOM 865 C ARG A 52 -7.905 -5.347 4.754 1.00 0.00 C ATOM 866 O ARG A 52 -7.463 -4.333 4.248 1.00 0.00 O ATOM 867 CB ARG A 52 -9.440 -5.733 6.689 1.00 0.00 C ATOM 868 CG ARG A 52 -10.902 -5.917 7.109 1.00 0.00 C ATOM 869 CD ARG A 52 -11.701 -4.653 6.779 1.00 0.00 C ATOM 870 NE ARG A 52 -12.877 -4.557 7.689 1.00 0.00 N ATOM 871 CZ ARG A 52 -13.485 -3.413 7.849 1.00 0.00 C ATOM 872 NH1 ARG A 52 -13.058 -2.354 7.219 1.00 0.00 N ATOM 873 NH2 ARG A 52 -14.519 -3.329 8.642 1.00 0.00 N ATOM 0 H ARG A 52 -10.672 -7.128 4.989 1.00 0.00 H new ATOM 0 HA ARG A 52 -9.874 -4.505 4.971 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -8.867 -6.630 6.926 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -8.991 -4.911 7.247 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -11.333 -6.775 6.593 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -10.959 -6.126 8.177 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -11.069 -3.772 6.889 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -12.032 -4.680 5.741 1.00 0.00 H new ATOM 0 HE ARG A 52 -13.207 -5.384 8.186 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -12.249 -2.420 6.601 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -13.533 -1.460 7.344 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -14.851 -4.157 9.136 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -14.994 -2.435 8.767 1.00 0.00 H new ATOM 887 N SER A 53 -7.148 -6.393 4.937 1.00 0.00 N ATOM 888 CA SER A 53 -5.719 -6.349 4.527 1.00 0.00 C ATOM 889 C SER A 53 -5.634 -5.989 3.046 1.00 0.00 C ATOM 890 O SER A 53 -4.832 -5.173 2.640 1.00 0.00 O ATOM 891 CB SER A 53 -5.079 -7.715 4.749 1.00 0.00 C ATOM 892 OG SER A 53 -5.416 -8.190 6.046 1.00 0.00 O ATOM 0 H SER A 53 -7.457 -7.273 5.351 1.00 0.00 H new ATOM 0 HA SER A 53 -5.193 -5.602 5.122 1.00 0.00 H new ATOM 0 HB2 SER A 53 -5.425 -8.418 3.991 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.996 -7.642 4.646 1.00 0.00 H new ATOM 0 HG SER A 53 -5.007 -9.069 6.189 1.00 0.00 H new ATOM 898 N LEU A 54 -6.465 -6.585 2.238 1.00 0.00 N ATOM 899 CA LEU A 54 -6.439 -6.271 0.784 1.00 0.00 C ATOM 900 C LEU A 54 -6.476 -4.754 0.614 1.00 0.00 C ATOM 901 O LEU A 54 -5.571 -4.156 0.070 1.00 0.00 O ATOM 902 CB LEU A 54 -7.662 -6.894 0.104 1.00 0.00 C ATOM 903 CG LEU A 54 -7.455 -6.922 -1.417 1.00 0.00 C ATOM 904 CD1 LEU A 54 -6.749 -8.218 -1.821 1.00 0.00 C ATOM 905 CD2 LEU A 54 -8.816 -6.846 -2.116 1.00 0.00 C ATOM 0 H LEU A 54 -7.160 -7.275 2.522 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.535 -6.675 0.330 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -7.821 -7.906 0.477 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -8.556 -6.321 0.348 1.00 0.00 H new ATOM 0 HG LEU A 54 -6.841 -6.071 -1.712 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -6.605 -8.232 -2.901 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -5.780 -8.274 -1.325 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -7.358 -9.072 -1.525 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -8.672 -6.866 -3.196 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -9.427 -7.697 -1.816 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -9.319 -5.921 -1.834 1.00 0.00 H new ATOM 917 N GLU A 55 -7.515 -4.130 1.092 1.00 0.00 N ATOM 918 CA GLU A 55 -7.616 -2.651 0.973 1.00 0.00 C ATOM 919 C GLU A 55 -6.311 -2.010 1.450 1.00 0.00 C ATOM 920 O GLU A 55 -5.844 -1.041 0.885 1.00 0.00 O ATOM 921 CB GLU A 55 -8.776 -2.146 1.836 1.00 0.00 C ATOM 922 CG GLU A 55 -10.028 -2.983 1.555 1.00 0.00 C ATOM 923 CD GLU A 55 -11.269 -2.218 2.016 1.00 0.00 C ATOM 924 OE1 GLU A 55 -11.261 -1.733 3.135 1.00 0.00 O ATOM 925 OE2 GLU A 55 -12.207 -2.128 1.240 1.00 0.00 O ATOM 0 H GLU A 55 -8.300 -4.582 1.561 1.00 0.00 H new ATOM 0 HA GLU A 55 -7.794 -2.383 -0.068 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -8.512 -2.211 2.892 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -8.972 -1.096 1.621 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -10.099 -3.204 0.490 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -9.963 -3.939 2.075 1.00 0.00 H new ATOM 932 N ARG A 56 -5.720 -2.534 2.491 1.00 0.00 N ATOM 933 CA ARG A 56 -4.451 -1.936 2.998 1.00 0.00 C ATOM 934 C ARG A 56 -3.361 -2.054 1.928 1.00 0.00 C ATOM 935 O ARG A 56 -2.577 -1.148 1.730 1.00 0.00 O ATOM 936 CB ARG A 56 -4.016 -2.672 4.277 1.00 0.00 C ATOM 937 CG ARG A 56 -3.877 -1.674 5.434 1.00 0.00 C ATOM 938 CD ARG A 56 -2.680 -0.747 5.184 1.00 0.00 C ATOM 939 NE ARG A 56 -3.058 0.653 5.527 1.00 0.00 N ATOM 940 CZ ARG A 56 -3.399 0.958 6.750 1.00 0.00 C ATOM 941 NH1 ARG A 56 -3.406 0.037 7.675 1.00 0.00 N ATOM 942 NH2 ARG A 56 -3.731 2.183 7.047 1.00 0.00 N ATOM 0 H ARG A 56 -6.058 -3.345 3.009 1.00 0.00 H new ATOM 0 HA ARG A 56 -4.609 -0.882 3.226 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -4.748 -3.438 4.533 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -3.067 -3.181 4.109 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -4.790 -1.086 5.530 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -3.743 -2.210 6.374 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -1.829 -1.064 5.787 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -2.371 -0.807 4.140 1.00 0.00 H new ATOM 0 HE ARG A 56 -3.050 1.374 4.806 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -3.145 -0.921 7.443 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -3.672 0.276 8.630 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -3.724 2.903 6.324 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -3.997 2.422 8.002 1.00 0.00 H new ATOM 956 N GLN A 57 -3.302 -3.159 1.238 1.00 0.00 N ATOM 957 CA GLN A 57 -2.259 -3.320 0.186 1.00 0.00 C ATOM 958 C GLN A 57 -2.513 -2.310 -0.936 1.00 0.00 C ATOM 959 O GLN A 57 -1.604 -1.663 -1.424 1.00 0.00 O ATOM 960 CB GLN A 57 -2.319 -4.744 -0.377 1.00 0.00 C ATOM 961 CG GLN A 57 -1.554 -5.696 0.546 1.00 0.00 C ATOM 962 CD GLN A 57 -2.040 -5.518 1.987 1.00 0.00 C ATOM 963 OE1 GLN A 57 -1.794 -4.498 2.601 1.00 0.00 O ATOM 964 NE2 GLN A 57 -2.722 -6.473 2.557 1.00 0.00 N ATOM 0 H GLN A 57 -3.928 -3.955 1.356 1.00 0.00 H new ATOM 0 HA GLN A 57 -1.273 -3.144 0.616 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -3.356 -5.066 -0.468 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -1.888 -4.768 -1.378 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -1.704 -6.727 0.226 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -0.484 -5.496 0.485 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -2.929 -7.329 2.042 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -3.048 -6.364 3.517 1.00 0.00 H new ATOM 973 N LEU A 58 -3.743 -2.164 -1.344 1.00 0.00 N ATOM 974 CA LEU A 58 -4.058 -1.192 -2.429 1.00 0.00 C ATOM 975 C LEU A 58 -3.750 0.220 -1.935 1.00 0.00 C ATOM 976 O LEU A 58 -3.082 0.988 -2.596 1.00 0.00 O ATOM 977 CB LEU A 58 -5.538 -1.295 -2.803 1.00 0.00 C ATOM 978 CG LEU A 58 -5.926 -2.766 -2.960 1.00 0.00 C ATOM 979 CD1 LEU A 58 -7.423 -2.872 -3.265 1.00 0.00 C ATOM 980 CD2 LEU A 58 -5.125 -3.387 -4.109 1.00 0.00 C ATOM 0 H LEU A 58 -4.544 -2.675 -0.973 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.454 -1.415 -3.308 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -6.151 -0.827 -2.033 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -5.727 -0.757 -3.732 1.00 0.00 H new ATOM 0 HG LEU A 58 -5.706 -3.299 -2.035 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -7.698 -3.921 -3.377 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -7.993 -2.432 -2.447 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -7.645 -2.338 -4.189 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -5.402 -4.435 -4.221 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.343 -2.854 -5.034 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -4.060 -3.314 -3.891 1.00 0.00 H new ATOM 992 N ALA A 59 -4.213 0.565 -0.768 1.00 0.00 N ATOM 993 CA ALA A 59 -3.922 1.920 -0.233 1.00 0.00 C ATOM 994 C ALA A 59 -2.406 2.084 -0.143 1.00 0.00 C ATOM 995 O ALA A 59 -1.862 3.140 -0.402 1.00 0.00 O ATOM 996 CB ALA A 59 -4.541 2.069 1.159 1.00 0.00 C ATOM 0 H ALA A 59 -4.779 -0.031 -0.164 1.00 0.00 H new ATOM 0 HA ALA A 59 -4.344 2.682 -0.888 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -4.326 3.064 1.548 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -5.620 1.931 1.094 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -4.119 1.319 1.827 1.00 0.00 H new ATOM 1002 N ALA A 60 -1.725 1.037 0.232 1.00 0.00 N ATOM 1003 CA ALA A 60 -0.243 1.102 0.357 1.00 0.00 C ATOM 1004 C ALA A 60 0.389 1.527 -0.973 1.00 0.00 C ATOM 1005 O ALA A 60 1.170 2.452 -1.020 1.00 0.00 O ATOM 1006 CB ALA A 60 0.294 -0.275 0.754 1.00 0.00 C ATOM 0 H ALA A 60 -2.136 0.132 0.459 1.00 0.00 H new ATOM 0 HA ALA A 60 0.013 1.837 1.120 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.379 -0.230 0.846 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -0.139 -0.573 1.709 1.00 0.00 H new ATOM 0 HB3 ALA A 60 0.025 -1.005 -0.010 1.00 0.00 H new ATOM 1012 N ILE A 61 0.076 0.858 -2.051 1.00 0.00 N ATOM 1013 CA ILE A 61 0.692 1.239 -3.358 1.00 0.00 C ATOM 1014 C ILE A 61 0.280 2.669 -3.735 1.00 0.00 C ATOM 1015 O ILE A 61 1.105 3.496 -4.081 1.00 0.00 O ATOM 1016 CB ILE A 61 0.251 0.242 -4.450 1.00 0.00 C ATOM 1017 CG1 ILE A 61 1.359 0.098 -5.497 1.00 0.00 C ATOM 1018 CG2 ILE A 61 -1.027 0.721 -5.149 1.00 0.00 C ATOM 1019 CD1 ILE A 61 0.932 -0.924 -6.552 1.00 0.00 C ATOM 0 H ILE A 61 -0.573 0.072 -2.085 1.00 0.00 H new ATOM 0 HA ILE A 61 1.778 1.205 -3.270 1.00 0.00 H new ATOM 0 HB ILE A 61 0.056 -0.717 -3.971 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.557 1.061 -5.967 1.00 0.00 H new ATOM 0 HG13 ILE A 61 2.286 -0.221 -5.020 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.316 -0.000 -5.914 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.829 0.814 -4.417 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -0.846 1.690 -5.614 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.720 -1.028 -7.298 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.756 -1.888 -6.074 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.016 -0.586 -7.036 1.00 0.00 H new ATOM 1031 N CYS A 62 -0.987 2.964 -3.676 1.00 0.00 N ATOM 1032 CA CYS A 62 -1.457 4.330 -4.039 1.00 0.00 C ATOM 1033 C CYS A 62 -0.698 5.379 -3.223 1.00 0.00 C ATOM 1034 O CYS A 62 0.132 6.099 -3.740 1.00 0.00 O ATOM 1035 CB CYS A 62 -2.953 4.440 -3.747 1.00 0.00 C ATOM 1036 SG CYS A 62 -3.852 3.235 -4.755 1.00 0.00 S ATOM 0 H CYS A 62 -1.721 2.316 -3.391 1.00 0.00 H new ATOM 0 HA CYS A 62 -1.274 4.505 -5.099 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -3.143 4.259 -2.689 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -3.304 5.448 -3.966 1.00 0.00 H new ATOM 0 HG CYS A 62 -4.981 3.750 -5.144 1.00 0.00 H new ATOM 1042 N ARG A 63 -0.981 5.477 -1.955 1.00 0.00 N ATOM 1043 CA ARG A 63 -0.280 6.487 -1.115 1.00 0.00 C ATOM 1044 C ARG A 63 1.228 6.336 -1.278 1.00 0.00 C ATOM 1045 O ARG A 63 1.930 7.304 -1.479 1.00 0.00 O ATOM 1046 CB ARG A 63 -0.658 6.283 0.341 1.00 0.00 C ATOM 1047 CG ARG A 63 0.167 7.221 1.227 1.00 0.00 C ATOM 1048 CD ARG A 63 -0.482 7.322 2.609 1.00 0.00 C ATOM 1049 NE ARG A 63 -0.584 5.962 3.212 1.00 0.00 N ATOM 1050 CZ ARG A 63 0.446 5.434 3.815 1.00 0.00 C ATOM 1051 NH1 ARG A 63 1.570 6.094 3.883 1.00 0.00 N ATOM 1052 NH2 ARG A 63 0.353 4.247 4.347 1.00 0.00 N ATOM 0 H ARG A 63 -1.666 4.903 -1.464 1.00 0.00 H new ATOM 0 HA ARG A 63 -0.576 7.487 -1.431 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -1.721 6.477 0.481 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -0.483 5.247 0.630 1.00 0.00 H new ATOM 0 HG2 ARG A 63 1.187 6.848 1.319 1.00 0.00 H new ATOM 0 HG3 ARG A 63 0.229 8.209 0.770 1.00 0.00 H new ATOM 0 HD2 ARG A 63 0.109 7.973 3.253 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -1.472 7.769 2.525 1.00 0.00 H new ATOM 0 HE ARG A 63 -1.460 5.443 3.153 1.00 0.00 H new ATOM 0 HH11 ARG A 63 1.643 7.022 3.465 1.00 0.00 H new ATOM 0 HH12 ARG A 63 2.376 5.682 4.354 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -0.525 3.731 4.292 1.00 0.00 H new ATOM 0 HH22 ARG A 63 1.158 3.835 4.818 1.00 0.00 H new ATOM 1066 N LYS A 64 1.741 5.132 -1.207 1.00 0.00 N ATOM 1067 CA LYS A 64 3.210 4.951 -1.386 1.00 0.00 C ATOM 1068 C LYS A 64 3.629 5.855 -2.537 1.00 0.00 C ATOM 1069 O LYS A 64 4.658 6.501 -2.505 1.00 0.00 O ATOM 1070 CB LYS A 64 3.523 3.491 -1.727 1.00 0.00 C ATOM 1071 CG LYS A 64 4.960 3.378 -2.251 1.00 0.00 C ATOM 1072 CD LYS A 64 5.418 1.914 -2.199 1.00 0.00 C ATOM 1073 CE LYS A 64 6.026 1.607 -0.827 1.00 0.00 C ATOM 1074 NZ LYS A 64 7.417 2.136 -0.772 1.00 0.00 N ATOM 0 H LYS A 64 1.211 4.278 -1.035 1.00 0.00 H new ATOM 0 HA LYS A 64 3.748 5.204 -0.472 1.00 0.00 H new ATOM 0 HB2 LYS A 64 3.398 2.866 -0.843 1.00 0.00 H new ATOM 0 HB3 LYS A 64 2.822 3.125 -2.477 1.00 0.00 H new ATOM 0 HG2 LYS A 64 5.014 3.750 -3.274 1.00 0.00 H new ATOM 0 HG3 LYS A 64 5.626 3.999 -1.651 1.00 0.00 H new ATOM 0 HD2 LYS A 64 4.573 1.252 -2.388 1.00 0.00 H new ATOM 0 HD3 LYS A 64 6.152 1.725 -2.982 1.00 0.00 H new ATOM 0 HE2 LYS A 64 5.422 2.059 -0.040 1.00 0.00 H new ATOM 0 HE3 LYS A 64 6.027 0.531 -0.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 8.070 1.369 -0.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 7.681 2.515 -1.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 7.472 2.894 -0.062 1.00 0.00 H new ATOM 1088 N ALA A 65 2.800 5.924 -3.540 1.00 0.00 N ATOM 1089 CA ALA A 65 3.093 6.807 -4.693 1.00 0.00 C ATOM 1090 C ALA A 65 2.863 8.259 -4.264 1.00 0.00 C ATOM 1091 O ALA A 65 3.592 9.149 -4.653 1.00 0.00 O ATOM 1092 CB ALA A 65 2.164 6.461 -5.858 1.00 0.00 C ATOM 0 H ALA A 65 1.927 5.401 -3.607 1.00 0.00 H new ATOM 0 HA ALA A 65 4.126 6.671 -5.014 1.00 0.00 H new ATOM 0 HB1 ALA A 65 2.383 7.113 -6.704 1.00 0.00 H new ATOM 0 HB2 ALA A 65 2.319 5.422 -6.151 1.00 0.00 H new ATOM 0 HB3 ALA A 65 1.128 6.601 -5.551 1.00 0.00 H new ATOM 1098 N ALA A 66 1.853 8.511 -3.462 1.00 0.00 N ATOM 1099 CA ALA A 66 1.598 9.913 -3.023 1.00 0.00 C ATOM 1100 C ALA A 66 2.829 10.448 -2.289 1.00 0.00 C ATOM 1101 O ALA A 66 3.257 11.564 -2.505 1.00 0.00 O ATOM 1102 CB ALA A 66 0.392 9.948 -2.084 1.00 0.00 C ATOM 0 H ALA A 66 1.204 7.813 -3.099 1.00 0.00 H new ATOM 0 HA ALA A 66 1.394 10.533 -3.896 1.00 0.00 H new ATOM 0 HB1 ALA A 66 0.209 10.974 -1.765 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -0.486 9.568 -2.605 1.00 0.00 H new ATOM 0 HB3 ALA A 66 0.593 9.327 -1.211 1.00 0.00 H new ATOM 1108 N LYS A 67 3.403 9.660 -1.423 1.00 0.00 N ATOM 1109 CA LYS A 67 4.607 10.122 -0.676 1.00 0.00 C ATOM 1110 C LYS A 67 5.635 10.667 -1.670 1.00 0.00 C ATOM 1111 O LYS A 67 6.294 11.657 -1.419 1.00 0.00 O ATOM 1112 CB LYS A 67 5.208 8.937 0.100 1.00 0.00 C ATOM 1113 CG LYS A 67 5.296 9.272 1.594 1.00 0.00 C ATOM 1114 CD LYS A 67 6.395 10.313 1.827 1.00 0.00 C ATOM 1115 CE LYS A 67 6.682 10.422 3.328 1.00 0.00 C ATOM 1116 NZ LYS A 67 5.435 10.139 4.095 1.00 0.00 N ATOM 0 H LYS A 67 3.090 8.715 -1.200 1.00 0.00 H new ATOM 0 HA LYS A 67 4.331 10.908 0.026 1.00 0.00 H new ATOM 0 HB2 LYS A 67 4.593 8.049 -0.045 1.00 0.00 H new ATOM 0 HB3 LYS A 67 6.200 8.705 -0.287 1.00 0.00 H new ATOM 0 HG2 LYS A 67 4.339 9.655 1.947 1.00 0.00 H new ATOM 0 HG3 LYS A 67 5.510 8.370 2.167 1.00 0.00 H new ATOM 0 HD2 LYS A 67 7.301 10.028 1.292 1.00 0.00 H new ATOM 0 HD3 LYS A 67 6.084 11.281 1.434 1.00 0.00 H new ATOM 0 HE2 LYS A 67 7.464 9.717 3.612 1.00 0.00 H new ATOM 0 HE3 LYS A 67 7.050 11.420 3.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 5.553 10.455 5.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 4.638 10.647 3.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 5.243 9.117 4.080 1.00 0.00 H new ATOM 1130 N ALA A 68 5.778 10.023 -2.794 1.00 0.00 N ATOM 1131 CA ALA A 68 6.765 10.494 -3.806 1.00 0.00 C ATOM 1132 C ALA A 68 6.301 11.825 -4.402 1.00 0.00 C ATOM 1133 O ALA A 68 6.883 12.331 -5.340 1.00 0.00 O ATOM 1134 CB ALA A 68 6.886 9.453 -4.921 1.00 0.00 C ATOM 0 H ALA A 68 5.253 9.189 -3.057 1.00 0.00 H new ATOM 0 HA ALA A 68 7.734 10.632 -3.326 1.00 0.00 H new ATOM 0 HB1 ALA A 68 7.608 9.796 -5.662 1.00 0.00 H new ATOM 0 HB2 ALA A 68 7.221 8.505 -4.499 1.00 0.00 H new ATOM 0 HB3 ALA A 68 5.915 9.315 -5.397 1.00 0.00 H new ATOM 1140 N ILE A 69 5.260 12.400 -3.864 1.00 0.00 N ATOM 1141 CA ILE A 69 4.768 13.700 -4.405 1.00 0.00 C ATOM 1142 C ILE A 69 5.942 14.674 -4.521 1.00 0.00 C ATOM 1143 O ILE A 69 5.903 15.623 -5.278 1.00 0.00 O ATOM 1144 CB ILE A 69 3.706 14.278 -3.464 1.00 0.00 C ATOM 1145 CG1 ILE A 69 3.303 15.683 -3.929 1.00 0.00 C ATOM 1146 CG2 ILE A 69 4.271 14.358 -2.044 1.00 0.00 C ATOM 1147 CD1 ILE A 69 2.828 15.631 -5.383 1.00 0.00 C ATOM 0 H ILE A 69 4.730 12.028 -3.076 1.00 0.00 H new ATOM 0 HA ILE A 69 4.327 13.544 -5.389 1.00 0.00 H new ATOM 0 HB ILE A 69 2.830 13.630 -3.476 1.00 0.00 H new ATOM 0 HG12 ILE A 69 2.510 16.074 -3.291 1.00 0.00 H new ATOM 0 HG13 ILE A 69 4.150 16.363 -3.837 1.00 0.00 H new ATOM 0 HG21 ILE A 69 3.516 14.769 -1.374 1.00 0.00 H new ATOM 0 HG22 ILE A 69 4.550 13.360 -1.707 1.00 0.00 H new ATOM 0 HG23 ILE A 69 5.150 15.002 -2.038 1.00 0.00 H new ATOM 0 HD11 ILE A 69 2.543 16.631 -5.709 1.00 0.00 H new ATOM 0 HD12 ILE A 69 3.634 15.259 -6.016 1.00 0.00 H new ATOM 0 HD13 ILE A 69 1.969 14.965 -5.461 1.00 0.00 H new ATOM 1239 N LYS A 75 2.053 15.245 -10.202 1.00 0.00 N ATOM 1240 CA LYS A 75 0.705 15.324 -10.836 1.00 0.00 C ATOM 1241 C LYS A 75 -0.117 14.091 -10.452 1.00 0.00 C ATOM 1242 O LYS A 75 0.249 13.334 -9.575 1.00 0.00 O ATOM 1243 CB LYS A 75 0.861 15.380 -12.357 1.00 0.00 C ATOM 1244 CG LYS A 75 1.675 16.619 -12.740 1.00 0.00 C ATOM 1245 CD LYS A 75 1.570 16.856 -14.248 1.00 0.00 C ATOM 1246 CE LYS A 75 2.349 18.118 -14.620 1.00 0.00 C ATOM 1247 NZ LYS A 75 1.914 19.245 -13.748 1.00 0.00 N ATOM 0 HA LYS A 75 0.193 16.221 -10.488 1.00 0.00 H new ATOM 0 HB2 LYS A 75 1.359 14.479 -12.716 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -0.119 15.414 -12.833 1.00 0.00 H new ATOM 0 HG2 LYS A 75 1.307 17.490 -12.198 1.00 0.00 H new ATOM 0 HG3 LYS A 75 2.718 16.484 -12.455 1.00 0.00 H new ATOM 0 HD2 LYS A 75 1.966 15.998 -14.790 1.00 0.00 H new ATOM 0 HD3 LYS A 75 0.525 16.962 -14.539 1.00 0.00 H new ATOM 0 HE2 LYS A 75 3.419 17.946 -14.503 1.00 0.00 H new ATOM 0 HE3 LYS A 75 2.179 18.368 -15.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 2.122 20.149 -14.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 0.891 19.174 -13.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 2.424 19.201 -12.843 1.00 0.00 H new ATOM 1261 N ARG A 76 -1.231 13.887 -11.103 1.00 0.00 N ATOM 1262 CA ARG A 76 -2.086 12.709 -10.780 1.00 0.00 C ATOM 1263 C ARG A 76 -1.309 11.418 -11.048 1.00 0.00 C ATOM 1264 O ARG A 76 -0.891 11.154 -12.158 1.00 0.00 O ATOM 1265 CB ARG A 76 -3.345 12.737 -11.655 1.00 0.00 C ATOM 1266 CG ARG A 76 -2.979 13.146 -13.092 1.00 0.00 C ATOM 1267 CD ARG A 76 -3.409 14.595 -13.349 1.00 0.00 C ATOM 1268 NE ARG A 76 -3.112 15.428 -12.150 1.00 0.00 N ATOM 1269 CZ ARG A 76 -3.525 16.664 -12.096 1.00 0.00 C ATOM 1270 NH1 ARG A 76 -4.198 17.171 -13.092 1.00 0.00 N ATOM 1271 NH2 ARG A 76 -3.266 17.394 -11.045 1.00 0.00 N ATOM 0 H ARG A 76 -1.586 14.488 -11.847 1.00 0.00 H new ATOM 0 HA ARG A 76 -2.370 12.747 -9.728 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -3.818 11.755 -11.657 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -4.069 13.439 -11.242 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -1.905 13.044 -13.246 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -3.468 12.481 -13.804 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -2.884 14.991 -14.218 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -4.475 14.633 -13.575 1.00 0.00 H new ATOM 0 HE ARG A 76 -2.586 15.032 -11.371 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -4.401 16.601 -13.913 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -4.521 18.138 -13.050 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -2.740 16.998 -10.266 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -3.589 18.361 -11.003 1.00 0.00 H new ATOM 1285 N ILE A 77 -1.117 10.607 -10.042 1.00 0.00 N ATOM 1286 CA ILE A 77 -0.374 9.332 -10.249 1.00 0.00 C ATOM 1287 C ILE A 77 -1.180 8.436 -11.189 1.00 0.00 C ATOM 1288 O ILE A 77 -2.143 7.810 -10.789 1.00 0.00 O ATOM 1289 CB ILE A 77 -0.183 8.616 -8.909 1.00 0.00 C ATOM 1290 CG1 ILE A 77 0.329 9.611 -7.862 1.00 0.00 C ATOM 1291 CG2 ILE A 77 0.828 7.481 -9.076 1.00 0.00 C ATOM 1292 CD1 ILE A 77 1.554 10.352 -8.404 1.00 0.00 C ATOM 0 H ILE A 77 -1.442 10.772 -9.089 1.00 0.00 H new ATOM 0 HA ILE A 77 0.603 9.547 -10.682 1.00 0.00 H new ATOM 0 HB ILE A 77 -1.137 8.205 -8.579 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -0.456 10.324 -7.610 1.00 0.00 H new ATOM 0 HG13 ILE A 77 0.588 9.085 -6.943 1.00 0.00 H new ATOM 0 HG21 ILE A 77 0.964 6.971 -8.122 1.00 0.00 H new ATOM 0 HG22 ILE A 77 0.460 6.772 -9.817 1.00 0.00 H new ATOM 0 HG23 ILE A 77 1.782 7.890 -9.408 1.00 0.00 H new ATOM 0 HD11 ILE A 77 1.913 11.058 -7.655 1.00 0.00 H new ATOM 0 HD12 ILE A 77 2.342 9.634 -8.633 1.00 0.00 H new ATOM 0 HD13 ILE A 77 1.281 10.892 -9.310 1.00 0.00 H new ATOM 1304 N THR A 78 -0.800 8.372 -12.434 1.00 0.00 N ATOM 1305 CA THR A 78 -1.553 7.520 -13.395 1.00 0.00 C ATOM 1306 C THR A 78 -1.104 6.066 -13.250 1.00 0.00 C ATOM 1307 O THR A 78 0.073 5.772 -13.202 1.00 0.00 O ATOM 1308 CB THR A 78 -1.280 7.996 -14.824 1.00 0.00 C ATOM 1309 OG1 THR A 78 -1.402 9.409 -14.881 1.00 0.00 O ATOM 1310 CG2 THR A 78 -2.289 7.355 -15.779 1.00 0.00 C ATOM 0 H THR A 78 -0.002 8.872 -12.827 1.00 0.00 H new ATOM 0 HA THR A 78 -2.620 7.594 -13.184 1.00 0.00 H new ATOM 0 HB THR A 78 -0.271 7.706 -15.118 1.00 0.00 H new ATOM 0 HG1 THR A 78 -1.226 9.716 -15.795 1.00 0.00 H new ATOM 0 HG21 THR A 78 -2.094 7.695 -16.796 1.00 0.00 H new ATOM 0 HG22 THR A 78 -2.194 6.270 -15.734 1.00 0.00 H new ATOM 0 HG23 THR A 78 -3.299 7.643 -15.488 1.00 0.00 H new ATOM 1318 N VAL A 79 -2.037 5.154 -13.178 1.00 0.00 N ATOM 1319 CA VAL A 79 -1.665 3.714 -13.034 1.00 0.00 C ATOM 1320 C VAL A 79 -2.568 2.855 -13.922 1.00 0.00 C ATOM 1321 O VAL A 79 -3.732 2.656 -13.634 1.00 0.00 O ATOM 1322 CB VAL A 79 -1.834 3.288 -11.575 1.00 0.00 C ATOM 1323 CG1 VAL A 79 -1.100 1.967 -11.339 1.00 0.00 C ATOM 1324 CG2 VAL A 79 -1.249 4.365 -10.659 1.00 0.00 C ATOM 0 H VAL A 79 -3.039 5.342 -13.212 1.00 0.00 H new ATOM 0 HA VAL A 79 -0.627 3.579 -13.337 1.00 0.00 H new ATOM 0 HB VAL A 79 -2.894 3.159 -11.356 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -1.221 1.664 -10.299 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -1.515 1.199 -11.991 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -0.040 2.095 -11.558 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -1.369 4.062 -9.619 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -0.189 4.494 -10.880 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -1.771 5.307 -10.825 1.00 0.00 H new ATOM 1334 N THR A 80 -2.038 2.339 -14.997 1.00 0.00 N ATOM 1335 CA THR A 80 -2.860 1.484 -15.902 1.00 0.00 C ATOM 1336 C THR A 80 -2.771 0.029 -15.435 1.00 0.00 C ATOM 1337 O THR A 80 -3.562 -0.424 -14.632 1.00 0.00 O ATOM 1338 CB THR A 80 -2.326 1.594 -17.332 1.00 0.00 C ATOM 1339 OG1 THR A 80 -0.952 1.231 -17.351 1.00 0.00 O ATOM 1340 CG2 THR A 80 -2.482 3.032 -17.833 1.00 0.00 C ATOM 0 H THR A 80 -1.070 2.472 -15.289 1.00 0.00 H new ATOM 0 HA THR A 80 -3.898 1.815 -15.877 1.00 0.00 H new ATOM 0 HB THR A 80 -2.890 0.925 -17.981 1.00 0.00 H new ATOM 0 HG1 THR A 80 -0.608 1.299 -18.266 1.00 0.00 H new ATOM 0 HG21 THR A 80 -2.101 3.106 -18.851 1.00 0.00 H new ATOM 0 HG22 THR A 80 -3.536 3.310 -17.819 1.00 0.00 H new ATOM 0 HG23 THR A 80 -1.921 3.706 -17.186 1.00 0.00 H new ATOM 1348 N GLU A 81 -1.809 -0.703 -15.927 1.00 0.00 N ATOM 1349 CA GLU A 81 -1.660 -2.127 -15.509 1.00 0.00 C ATOM 1350 C GLU A 81 -0.185 -2.521 -15.583 1.00 0.00 C ATOM 1351 O GLU A 81 0.154 -3.652 -15.867 1.00 0.00 O ATOM 1352 CB GLU A 81 -2.478 -3.026 -16.438 1.00 0.00 C ATOM 1353 CG GLU A 81 -2.161 -2.684 -17.895 1.00 0.00 C ATOM 1354 CD GLU A 81 -2.797 -3.728 -18.816 1.00 0.00 C ATOM 1355 OE1 GLU A 81 -2.698 -4.904 -18.503 1.00 0.00 O ATOM 1356 OE2 GLU A 81 -3.370 -3.334 -19.818 1.00 0.00 O ATOM 0 H GLU A 81 -1.118 -0.376 -16.602 1.00 0.00 H new ATOM 0 HA GLU A 81 -2.021 -2.246 -14.487 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -2.248 -4.073 -16.242 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -3.542 -2.892 -16.246 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -2.540 -1.691 -18.137 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -1.082 -2.659 -18.047 1.00 0.00 H new ATOM 1363 N LYS A 82 0.697 -1.592 -15.326 1.00 0.00 N ATOM 1364 CA LYS A 82 2.154 -1.904 -15.376 1.00 0.00 C ATOM 1365 C LYS A 82 2.892 -1.028 -14.364 1.00 0.00 C ATOM 1366 O LYS A 82 3.711 -1.501 -13.600 1.00 0.00 O ATOM 1367 CB LYS A 82 2.688 -1.624 -16.784 1.00 0.00 C ATOM 1368 CG LYS A 82 4.054 -2.290 -16.953 1.00 0.00 C ATOM 1369 CD LYS A 82 4.634 -1.925 -18.321 1.00 0.00 C ATOM 1370 CE LYS A 82 5.902 -2.743 -18.573 1.00 0.00 C ATOM 1371 NZ LYS A 82 6.611 -2.206 -19.770 1.00 0.00 N ATOM 0 H LYS A 82 0.470 -0.628 -15.083 1.00 0.00 H new ATOM 0 HA LYS A 82 2.313 -2.955 -15.133 1.00 0.00 H new ATOM 0 HB2 LYS A 82 1.991 -2.004 -17.531 1.00 0.00 H new ATOM 0 HB3 LYS A 82 2.773 -0.549 -16.945 1.00 0.00 H new ATOM 0 HG2 LYS A 82 4.729 -1.965 -16.161 1.00 0.00 H new ATOM 0 HG3 LYS A 82 3.956 -3.372 -16.864 1.00 0.00 H new ATOM 0 HD2 LYS A 82 3.900 -2.122 -19.103 1.00 0.00 H new ATOM 0 HD3 LYS A 82 4.862 -0.860 -18.359 1.00 0.00 H new ATOM 0 HE2 LYS A 82 6.555 -2.700 -17.701 1.00 0.00 H new ATOM 0 HE3 LYS A 82 5.646 -3.791 -18.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 7.473 -2.762 -19.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 5.988 -2.269 -20.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 6.868 -1.212 -19.605 1.00 0.00 H new ATOM 1385 N ASN A 83 2.607 0.245 -14.349 1.00 0.00 N ATOM 1386 CA ASN A 83 3.290 1.147 -13.381 1.00 0.00 C ATOM 1387 C ASN A 83 3.141 0.573 -11.970 1.00 0.00 C ATOM 1388 O ASN A 83 4.060 0.602 -11.174 1.00 0.00 O ATOM 1389 CB ASN A 83 2.654 2.540 -13.445 1.00 0.00 C ATOM 1390 CG ASN A 83 3.638 3.581 -12.906 1.00 0.00 C ATOM 1391 OD1 ASN A 83 3.857 3.651 -11.622 1.00 0.00 O flip ATOM 1392 ND2 ASN A 83 4.215 4.336 -13.663 1.00 0.00 N flip ATOM 0 H ASN A 83 1.932 0.699 -14.964 1.00 0.00 H new ATOM 0 HA ASN A 83 4.348 1.225 -13.632 1.00 0.00 H new ATOM 0 HB2 ASN A 83 2.383 2.780 -14.473 1.00 0.00 H new ATOM 0 HB3 ASN A 83 1.734 2.558 -12.860 1.00 0.00 H new ATOM 0 HD21 ASN A 83 4.044 4.281 -14.667 1.00 0.00 H new ATOM 0 HD22 ASN A 83 4.871 5.025 -13.295 1.00 0.00 H new ATOM 1399 N LEU A 84 1.991 0.041 -11.655 1.00 0.00 N ATOM 1400 CA LEU A 84 1.792 -0.542 -10.300 1.00 0.00 C ATOM 1401 C LEU A 84 2.929 -1.521 -10.013 1.00 0.00 C ATOM 1402 O LEU A 84 3.474 -1.554 -8.929 1.00 0.00 O ATOM 1403 CB LEU A 84 0.446 -1.274 -10.239 1.00 0.00 C ATOM 1404 CG LEU A 84 0.340 -2.289 -11.390 1.00 0.00 C ATOM 1405 CD1 LEU A 84 0.730 -3.692 -10.903 1.00 0.00 C ATOM 1406 CD2 LEU A 84 -1.102 -2.318 -11.908 1.00 0.00 C ATOM 0 H LEU A 84 1.184 -0.014 -12.276 1.00 0.00 H new ATOM 0 HA LEU A 84 1.792 0.252 -9.554 1.00 0.00 H new ATOM 0 HB2 LEU A 84 0.346 -1.786 -9.282 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -0.371 -0.555 -10.303 1.00 0.00 H new ATOM 0 HG LEU A 84 1.019 -1.989 -12.189 1.00 0.00 H new ATOM 0 HD11 LEU A 84 0.650 -4.399 -11.729 1.00 0.00 H new ATOM 0 HD12 LEU A 84 1.756 -3.677 -10.536 1.00 0.00 H new ATOM 0 HD13 LEU A 84 0.061 -3.997 -10.098 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -1.181 -3.036 -12.724 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -1.773 -2.611 -11.100 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -1.379 -1.327 -12.269 1.00 0.00 H new ATOM 1418 N GLN A 85 3.296 -2.315 -10.981 1.00 0.00 N ATOM 1419 CA GLN A 85 4.406 -3.284 -10.765 1.00 0.00 C ATOM 1420 C GLN A 85 5.651 -2.519 -10.310 1.00 0.00 C ATOM 1421 O GLN A 85 6.381 -2.958 -9.443 1.00 0.00 O ATOM 1422 CB GLN A 85 4.705 -4.019 -12.074 1.00 0.00 C ATOM 1423 CG GLN A 85 5.708 -5.144 -11.813 1.00 0.00 C ATOM 1424 CD GLN A 85 6.186 -5.723 -13.145 1.00 0.00 C ATOM 1425 OE1 GLN A 85 5.497 -5.631 -14.143 1.00 0.00 O ATOM 1426 NE2 GLN A 85 7.345 -6.320 -13.206 1.00 0.00 N ATOM 0 H GLN A 85 2.876 -2.334 -11.910 1.00 0.00 H new ATOM 0 HA GLN A 85 4.121 -4.010 -10.004 1.00 0.00 H new ATOM 0 HB2 GLN A 85 3.785 -4.428 -12.492 1.00 0.00 H new ATOM 0 HB3 GLN A 85 5.107 -3.323 -12.810 1.00 0.00 H new ATOM 0 HG2 GLN A 85 6.557 -4.764 -11.245 1.00 0.00 H new ATOM 0 HG3 GLN A 85 5.245 -5.925 -11.210 1.00 0.00 H new ATOM 0 HE21 GLN A 85 7.923 -6.398 -12.369 1.00 0.00 H new ATOM 0 HE22 GLN A 85 7.672 -6.709 -14.090 1.00 0.00 H new ATOM 1435 N ASP A 86 5.896 -1.374 -10.888 1.00 0.00 N ATOM 1436 CA ASP A 86 7.088 -0.576 -10.489 1.00 0.00 C ATOM 1437 C ASP A 86 6.930 -0.118 -9.038 1.00 0.00 C ATOM 1438 O ASP A 86 7.875 -0.109 -8.274 1.00 0.00 O ATOM 1439 CB ASP A 86 7.216 0.646 -11.402 1.00 0.00 C ATOM 1440 CG ASP A 86 7.466 0.185 -12.838 1.00 0.00 C ATOM 1441 OD1 ASP A 86 8.551 -0.309 -13.099 1.00 0.00 O ATOM 1442 OD2 ASP A 86 6.570 0.333 -13.652 1.00 0.00 O ATOM 0 H ASP A 86 5.321 -0.957 -11.620 1.00 0.00 H new ATOM 0 HA ASP A 86 7.984 -1.190 -10.581 1.00 0.00 H new ATOM 0 HB2 ASP A 86 6.307 1.246 -11.354 1.00 0.00 H new ATOM 0 HB3 ASP A 86 8.035 1.281 -11.065 1.00 0.00 H new ATOM 1447 N PHE A 87 5.741 0.257 -8.648 1.00 0.00 N ATOM 1448 CA PHE A 87 5.530 0.705 -7.241 1.00 0.00 C ATOM 1449 C PHE A 87 5.684 -0.502 -6.319 1.00 0.00 C ATOM 1450 O PHE A 87 6.264 -0.421 -5.255 1.00 0.00 O ATOM 1451 CB PHE A 87 4.116 1.278 -7.085 1.00 0.00 C ATOM 1452 CG PHE A 87 4.083 2.723 -7.530 1.00 0.00 C ATOM 1453 CD1 PHE A 87 4.841 3.683 -6.848 1.00 0.00 C ATOM 1454 CD2 PHE A 87 3.289 3.104 -8.620 1.00 0.00 C ATOM 1455 CE1 PHE A 87 4.804 5.022 -7.255 1.00 0.00 C ATOM 1456 CE2 PHE A 87 3.253 4.443 -9.026 1.00 0.00 C ATOM 1457 CZ PHE A 87 4.011 5.402 -8.344 1.00 0.00 C ATOM 0 H PHE A 87 4.910 0.273 -9.240 1.00 0.00 H new ATOM 0 HA PHE A 87 6.259 1.474 -6.986 1.00 0.00 H new ATOM 0 HB2 PHE A 87 3.412 0.692 -7.676 1.00 0.00 H new ATOM 0 HB3 PHE A 87 3.799 1.203 -6.045 1.00 0.00 H new ATOM 0 HD1 PHE A 87 5.454 3.390 -6.008 1.00 0.00 H new ATOM 0 HD2 PHE A 87 2.705 2.364 -9.147 1.00 0.00 H new ATOM 0 HE1 PHE A 87 5.388 5.762 -6.728 1.00 0.00 H new ATOM 0 HE2 PHE A 87 2.640 4.736 -9.866 1.00 0.00 H new ATOM 0 HZ PHE A 87 3.984 6.435 -8.658 1.00 0.00 H new ATOM 1467 N ILE A 88 5.160 -1.621 -6.729 1.00 0.00 N ATOM 1468 CA ILE A 88 5.255 -2.849 -5.900 1.00 0.00 C ATOM 1469 C ILE A 88 6.667 -3.437 -6.021 1.00 0.00 C ATOM 1470 O ILE A 88 7.381 -3.560 -5.046 1.00 0.00 O ATOM 1471 CB ILE A 88 4.204 -3.850 -6.395 1.00 0.00 C ATOM 1472 CG1 ILE A 88 2.911 -3.683 -5.584 1.00 0.00 C ATOM 1473 CG2 ILE A 88 4.717 -5.284 -6.249 1.00 0.00 C ATOM 1474 CD1 ILE A 88 1.728 -4.215 -6.397 1.00 0.00 C ATOM 0 H ILE A 88 4.665 -1.737 -7.613 1.00 0.00 H new ATOM 0 HA ILE A 88 5.068 -2.621 -4.851 1.00 0.00 H new ATOM 0 HB ILE A 88 4.005 -3.654 -7.449 1.00 0.00 H new ATOM 0 HG12 ILE A 88 2.989 -4.222 -4.640 1.00 0.00 H new ATOM 0 HG13 ILE A 88 2.755 -2.632 -5.340 1.00 0.00 H new ATOM 0 HG21 ILE A 88 3.958 -5.980 -6.605 1.00 0.00 H new ATOM 0 HG22 ILE A 88 5.626 -5.407 -6.837 1.00 0.00 H new ATOM 0 HG23 ILE A 88 4.933 -5.488 -5.200 1.00 0.00 H new ATOM 0 HD11 ILE A 88 0.809 -4.097 -5.822 1.00 0.00 H new ATOM 0 HD12 ILE A 88 1.647 -3.657 -7.330 1.00 0.00 H new ATOM 0 HD13 ILE A 88 1.884 -5.271 -6.619 1.00 0.00 H new ATOM 1486 N GLY A 89 7.074 -3.798 -7.210 1.00 0.00 N ATOM 1487 CA GLY A 89 8.439 -4.376 -7.395 1.00 0.00 C ATOM 1488 C GLY A 89 8.358 -5.605 -8.301 1.00 0.00 C ATOM 1489 O GLY A 89 8.793 -5.583 -9.435 1.00 0.00 O ATOM 0 H GLY A 89 6.519 -3.718 -8.062 1.00 0.00 H new ATOM 0 HA2 GLY A 89 9.104 -3.632 -7.834 1.00 0.00 H new ATOM 0 HA3 GLY A 89 8.862 -4.651 -6.429 1.00 0.00 H new ATOM 1493 N LYS A 90 7.805 -6.683 -7.810 1.00 0.00 N ATOM 1494 CA LYS A 90 7.700 -7.916 -8.643 1.00 0.00 C ATOM 1495 C LYS A 90 6.437 -8.690 -8.256 1.00 0.00 C ATOM 1496 O LYS A 90 5.824 -8.430 -7.240 1.00 0.00 O ATOM 1497 CB LYS A 90 8.930 -8.795 -8.407 1.00 0.00 C ATOM 1498 CG LYS A 90 8.839 -10.050 -9.279 1.00 0.00 C ATOM 1499 CD LYS A 90 10.225 -10.685 -9.413 1.00 0.00 C ATOM 1500 CE LYS A 90 10.764 -11.037 -8.025 1.00 0.00 C ATOM 1501 NZ LYS A 90 11.949 -11.932 -8.166 1.00 0.00 N ATOM 0 H LYS A 90 7.422 -6.762 -6.868 1.00 0.00 H new ATOM 0 HA LYS A 90 7.646 -7.640 -9.696 1.00 0.00 H new ATOM 0 HB2 LYS A 90 9.837 -8.240 -8.645 1.00 0.00 H new ATOM 0 HB3 LYS A 90 8.994 -9.074 -7.355 1.00 0.00 H new ATOM 0 HG2 LYS A 90 8.143 -10.763 -8.837 1.00 0.00 H new ATOM 0 HG3 LYS A 90 8.449 -9.793 -10.264 1.00 0.00 H new ATOM 0 HD2 LYS A 90 10.167 -11.582 -10.030 1.00 0.00 H new ATOM 0 HD3 LYS A 90 10.905 -9.996 -9.914 1.00 0.00 H new ATOM 0 HE2 LYS A 90 11.042 -10.129 -7.490 1.00 0.00 H new ATOM 0 HE3 LYS A 90 9.990 -11.530 -7.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 12.317 -12.172 -7.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 11.669 -12.803 -8.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 12.688 -11.446 -8.712 1.00 0.00 H new ATOM 1515 N ARG A 91 6.043 -9.639 -9.063 1.00 0.00 N ATOM 1516 CA ARG A 91 4.818 -10.432 -8.750 1.00 0.00 C ATOM 1517 C ARG A 91 5.217 -11.739 -8.061 1.00 0.00 C ATOM 1518 O ARG A 91 6.370 -12.125 -8.063 1.00 0.00 O ATOM 1519 CB ARG A 91 4.077 -10.749 -10.050 1.00 0.00 C ATOM 1520 CG ARG A 91 4.948 -11.652 -10.928 1.00 0.00 C ATOM 1521 CD ARG A 91 4.457 -11.591 -12.376 1.00 0.00 C ATOM 1522 NE ARG A 91 4.877 -10.299 -12.988 1.00 0.00 N ATOM 1523 CZ ARG A 91 4.918 -10.176 -14.286 1.00 0.00 C ATOM 1524 NH1 ARG A 91 4.592 -11.185 -15.048 1.00 0.00 N ATOM 1525 NH2 ARG A 91 5.284 -9.044 -14.824 1.00 0.00 N ATOM 0 H ARG A 91 6.518 -9.900 -9.927 1.00 0.00 H new ATOM 0 HA ARG A 91 4.170 -9.857 -8.089 1.00 0.00 H new ATOM 0 HB2 ARG A 91 3.130 -11.242 -9.830 1.00 0.00 H new ATOM 0 HB3 ARG A 91 3.841 -9.827 -10.580 1.00 0.00 H new ATOM 0 HG2 ARG A 91 5.989 -11.334 -10.873 1.00 0.00 H new ATOM 0 HG3 ARG A 91 4.908 -12.678 -10.563 1.00 0.00 H new ATOM 0 HD2 ARG A 91 4.866 -12.426 -12.946 1.00 0.00 H new ATOM 0 HD3 ARG A 91 3.372 -11.685 -12.408 1.00 0.00 H new ATOM 0 HE ARG A 91 5.132 -9.511 -12.392 1.00 0.00 H new ATOM 0 HH11 ARG A 91 4.305 -12.069 -14.628 1.00 0.00 H new ATOM 0 HH12 ARG A 91 4.624 -11.089 -16.063 1.00 0.00 H new ATOM 0 HH21 ARG A 91 5.538 -8.255 -14.229 1.00 0.00 H new ATOM 0 HH22 ARG A 91 5.316 -8.948 -15.839 1.00 0.00 H new ATOM 1539 N ILE A 92 4.272 -12.424 -7.474 1.00 0.00 N ATOM 1540 CA ILE A 92 4.592 -13.709 -6.784 1.00 0.00 C ATOM 1541 C ILE A 92 4.203 -14.886 -7.684 1.00 0.00 C ATOM 1542 O ILE A 92 5.051 -15.596 -8.188 1.00 0.00 O ATOM 1543 CB ILE A 92 3.813 -13.787 -5.469 1.00 0.00 C ATOM 1544 CG1 ILE A 92 4.097 -12.527 -4.643 1.00 0.00 C ATOM 1545 CG2 ILE A 92 4.254 -15.025 -4.682 1.00 0.00 C ATOM 1546 CD1 ILE A 92 3.561 -12.705 -3.218 1.00 0.00 C ATOM 0 H ILE A 92 3.290 -12.149 -7.442 1.00 0.00 H new ATOM 0 HA ILE A 92 5.661 -13.754 -6.576 1.00 0.00 H new ATOM 0 HB ILE A 92 2.746 -13.857 -5.679 1.00 0.00 H new ATOM 0 HG12 ILE A 92 5.169 -12.334 -4.616 1.00 0.00 H new ATOM 0 HG13 ILE A 92 3.629 -11.661 -5.111 1.00 0.00 H new ATOM 0 HG21 ILE A 92 3.698 -15.078 -3.746 1.00 0.00 H new ATOM 0 HG22 ILE A 92 4.058 -15.920 -5.272 1.00 0.00 H new ATOM 0 HG23 ILE A 92 5.321 -14.959 -4.467 1.00 0.00 H new ATOM 0 HD11 ILE A 92 3.766 -11.806 -2.637 1.00 0.00 H new ATOM 0 HD12 ILE A 92 2.485 -12.877 -3.253 1.00 0.00 H new ATOM 0 HD13 ILE A 92 4.050 -13.559 -2.749 1.00 0.00 H new ATOM 1558 N PHE A 93 2.931 -15.102 -7.894 1.00 0.00 N ATOM 1559 CA PHE A 93 2.509 -16.238 -8.763 1.00 0.00 C ATOM 1560 C PHE A 93 2.988 -15.986 -10.195 1.00 0.00 C ATOM 1561 O PHE A 93 2.321 -15.338 -10.976 1.00 0.00 O ATOM 1562 CB PHE A 93 0.982 -16.370 -8.755 1.00 0.00 C ATOM 1563 CG PHE A 93 0.427 -16.168 -7.357 1.00 0.00 C ATOM 1564 CD1 PHE A 93 1.215 -16.430 -6.224 1.00 0.00 C ATOM 1565 CD2 PHE A 93 -0.890 -15.721 -7.200 1.00 0.00 C ATOM 1566 CE1 PHE A 93 0.680 -16.242 -4.942 1.00 0.00 C ATOM 1567 CE2 PHE A 93 -1.422 -15.535 -5.919 1.00 0.00 C ATOM 1568 CZ PHE A 93 -0.637 -15.794 -4.791 1.00 0.00 C ATOM 0 H PHE A 93 2.171 -14.545 -7.504 1.00 0.00 H new ATOM 0 HA PHE A 93 2.948 -17.160 -8.382 1.00 0.00 H new ATOM 0 HB2 PHE A 93 0.546 -15.636 -9.433 1.00 0.00 H new ATOM 0 HB3 PHE A 93 0.696 -17.355 -9.125 1.00 0.00 H new ATOM 0 HD1 PHE A 93 2.232 -16.776 -6.340 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -1.497 -15.519 -8.070 1.00 0.00 H new ATOM 0 HE1 PHE A 93 1.285 -16.443 -4.070 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -2.439 -15.191 -5.802 1.00 0.00 H new ATOM 0 HZ PHE A 93 -1.047 -15.648 -3.803 1.00 0.00 H new ATOM 1578 N ARG A 94 4.138 -16.499 -10.544 1.00 0.00 N ATOM 1579 CA ARG A 94 4.664 -16.294 -11.926 1.00 0.00 C ATOM 1580 C ARG A 94 4.420 -17.558 -12.755 1.00 0.00 C ATOM 1581 O ARG A 94 5.336 -18.285 -13.078 1.00 0.00 O ATOM 1582 CB ARG A 94 6.167 -16.009 -11.861 1.00 0.00 C ATOM 1583 CG ARG A 94 6.814 -16.918 -10.811 1.00 0.00 C ATOM 1584 CD ARG A 94 8.343 -16.804 -10.889 1.00 0.00 C ATOM 1585 NE ARG A 94 8.922 -18.142 -11.193 1.00 0.00 N ATOM 1586 CZ ARG A 94 8.896 -19.085 -10.291 1.00 0.00 C ATOM 1587 NH1 ARG A 94 8.367 -18.853 -9.121 1.00 0.00 N ATOM 1588 NH2 ARG A 94 9.402 -20.258 -10.557 1.00 0.00 N ATOM 0 H ARG A 94 4.737 -17.052 -9.931 1.00 0.00 H new ATOM 0 HA ARG A 94 4.153 -15.450 -12.390 1.00 0.00 H new ATOM 0 HB2 ARG A 94 6.623 -16.180 -12.836 1.00 0.00 H new ATOM 0 HB3 ARG A 94 6.339 -14.963 -11.608 1.00 0.00 H new ATOM 0 HG2 ARG A 94 6.471 -16.639 -9.815 1.00 0.00 H new ATOM 0 HG3 ARG A 94 6.509 -17.952 -10.975 1.00 0.00 H new ATOM 0 HD2 ARG A 94 8.627 -16.088 -11.661 1.00 0.00 H new ATOM 0 HD3 ARG A 94 8.740 -16.429 -9.945 1.00 0.00 H new ATOM 0 HE ARG A 94 9.339 -18.322 -12.106 1.00 0.00 H new ATOM 0 HH11 ARG A 94 7.974 -17.935 -8.912 1.00 0.00 H new ATOM 0 HH12 ARG A 94 8.346 -19.589 -8.416 1.00 0.00 H new ATOM 0 HH21 ARG A 94 9.818 -20.439 -11.470 1.00 0.00 H new ATOM 0 HH22 ARG A 94 9.381 -20.994 -9.851 1.00 0.00 H new ATOM 1602 N TYR A 95 3.189 -17.824 -13.100 1.00 0.00 N ATOM 1603 CA TYR A 95 2.890 -19.041 -13.907 1.00 0.00 C ATOM 1604 C TYR A 95 3.300 -18.801 -15.360 1.00 0.00 C ATOM 1605 O TYR A 95 3.265 -17.690 -15.849 1.00 0.00 O ATOM 1606 CB TYR A 95 1.391 -19.341 -13.842 1.00 0.00 C ATOM 1607 CG TYR A 95 1.090 -20.577 -14.657 1.00 0.00 C ATOM 1608 CD1 TYR A 95 1.419 -21.842 -14.156 1.00 0.00 C ATOM 1609 CD2 TYR A 95 0.483 -20.459 -15.913 1.00 0.00 C ATOM 1610 CE1 TYR A 95 1.140 -22.989 -14.910 1.00 0.00 C ATOM 1611 CE2 TYR A 95 0.204 -21.604 -16.667 1.00 0.00 C ATOM 1612 CZ TYR A 95 0.533 -22.869 -16.166 1.00 0.00 C ATOM 1613 OH TYR A 95 0.258 -23.999 -16.910 1.00 0.00 O ATOM 0 H TYR A 95 2.379 -17.252 -12.858 1.00 0.00 H new ATOM 0 HA TYR A 95 3.447 -19.888 -13.507 1.00 0.00 H new ATOM 0 HB2 TYR A 95 1.084 -19.491 -12.807 1.00 0.00 H new ATOM 0 HB3 TYR A 95 0.822 -18.493 -14.224 1.00 0.00 H new ATOM 0 HD1 TYR A 95 1.888 -21.934 -13.188 1.00 0.00 H new ATOM 0 HD2 TYR A 95 0.230 -19.483 -16.300 1.00 0.00 H new ATOM 0 HE1 TYR A 95 1.393 -23.965 -14.523 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -0.265 -21.512 -17.635 1.00 0.00 H new ATOM 0 HH TYR A 95 -0.164 -23.739 -17.755 1.00 0.00 H new