USER MOD reduce.3.24.130724 H: found=0, std=0, add=825, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 826 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 56 ASN : amide:sc= 2.46 K(o=3.1,f=-2.2) USER MOD Set 1.2: A 78 LYS NZ :NH3+ 177:sc= 0.673 (180deg=-0.0351) USER MOD Set 2.1: A 41 GLN : amide:sc= -6.97! C(o=-8.5!,f=-15!) USER MOD Set 2.2: A 71 ASN :FLIP amide:sc= -1.49 F(o=-12!,f=-8.5) USER MOD Single : A 2 LYS NZ :NH3+ -173:sc=-0.00295 (180deg=-0.0679) USER MOD Single : A 4 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0444) USER MOD Single : A 9 THR OG1 : rot -41:sc= 0.419 USER MOD Single : A 11 CYS SG : rot 170:sc= -0.641 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=-0.063) USER MOD Single : A 18 THR OG1 : rot 69:sc= -0.134 USER MOD Single : A 19 TYR OH : rot 57:sc= 1.28 USER MOD Single : A 20 MET CE :methyl 161:sc= -0.178 (180deg=-0.84) USER MOD Single : A 23 GLN :FLIP amide:sc= -0.0647 F(o=-1.5!,f=-0.065) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 MET CE :methyl -160:sc= -0.195 (180deg=-0.783) USER MOD Single : A 34 ASN : amide:sc= -1.1 K(o=-1.1,f=-3.2!) USER MOD Single : A 37 LYS NZ :NH3+ -176:sc= 0.412 (180deg=0.304) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= 1.13 K(o=1.1,f=-1) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -150:sc= 0.846 (180deg=-0.96!) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.179 USER MOD Single : A 68 LYS NZ :NH3+ -166:sc= -0.0214 (180deg=-0.207) USER MOD Single : A 72 LYS NZ :NH3+ 135:sc= 1.3 (180deg=0.733) USER MOD Single : A 86 SER OG : rot -93:sc= 0.0331 USER MOD Single : A 90 LYS NZ :NH3+ 156:sc= 1.27 (180deg=0.54) USER MOD Single : A 94 LYS NZ :NH3+ -128:sc= -0.0324 (180deg=-0.31) USER MOD Single : A 97 ASN : amide:sc= 1.23 K(o=1.2,f=-0.037) USER MOD ----------------------------------------------------------------- ATOM 20 N LYS A 2 -14.703 2.917 -7.738 1.00 0.00 N ATOM 21 CA LYS A 2 -13.332 2.435 -7.771 1.00 0.00 C ATOM 22 C LYS A 2 -12.547 3.064 -6.633 1.00 0.00 C ATOM 23 O LYS A 2 -12.145 4.223 -6.719 1.00 0.00 O ATOM 24 CB LYS A 2 -12.654 2.774 -9.104 1.00 0.00 C ATOM 25 CG LYS A 2 -13.159 1.970 -10.295 1.00 0.00 C ATOM 26 CD LYS A 2 -12.828 0.491 -10.156 1.00 0.00 C ATOM 27 CE LYS A 2 -13.186 -0.283 -11.418 1.00 0.00 C ATOM 28 NZ LYS A 2 -14.637 -0.205 -11.733 1.00 0.00 N ATOM 0 HA LYS A 2 -13.350 1.351 -7.662 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -12.799 3.834 -9.311 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -11.581 2.612 -9.002 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -14.238 2.094 -10.387 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -12.714 2.358 -11.211 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -11.765 0.373 -9.945 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -13.369 0.074 -9.307 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -12.612 0.109 -12.258 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -12.898 -1.327 -11.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -14.854 -0.840 -12.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -15.189 -0.492 -10.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -14.884 0.771 -11.992 1.00 0.00 H new ATOM 42 N ARG A 3 -12.361 2.312 -5.560 1.00 0.00 N ATOM 43 CA ARG A 3 -11.628 2.810 -4.405 1.00 0.00 C ATOM 44 C ARG A 3 -10.173 3.049 -4.780 1.00 0.00 C ATOM 45 O ARG A 3 -9.503 2.153 -5.301 1.00 0.00 O ATOM 46 CB ARG A 3 -11.719 1.815 -3.250 1.00 0.00 C ATOM 47 CG ARG A 3 -11.179 2.348 -1.934 1.00 0.00 C ATOM 48 CD ARG A 3 -12.053 3.465 -1.389 1.00 0.00 C ATOM 49 NE ARG A 3 -13.388 3.002 -1.019 1.00 0.00 N ATOM 50 CZ ARG A 3 -14.395 3.809 -0.679 1.00 0.00 C ATOM 51 NH1 ARG A 3 -14.240 5.130 -0.714 1.00 0.00 N ATOM 52 NH2 ARG A 3 -15.557 3.290 -0.305 1.00 0.00 N ATOM 0 H ARG A 3 -12.706 1.357 -5.464 1.00 0.00 H new ATOM 0 HA ARG A 3 -12.071 3.753 -4.085 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -12.761 1.526 -3.113 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -11.170 0.912 -3.517 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -11.125 1.538 -1.206 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -10.163 2.716 -2.078 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -11.571 3.907 -0.517 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -12.140 4.252 -2.138 1.00 0.00 H new ATOM 0 HE ARG A 3 -13.562 1.997 -1.021 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -13.348 5.531 -1.002 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -15.014 5.741 -0.453 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -15.678 2.278 -0.278 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -16.329 3.903 -0.044 1.00 0.00 H new ATOM 66 N LYS A 4 -9.698 4.260 -4.537 1.00 0.00 N ATOM 67 CA LYS A 4 -8.331 4.620 -4.867 1.00 0.00 C ATOM 68 C LYS A 4 -7.407 4.310 -3.699 1.00 0.00 C ATOM 69 O LYS A 4 -7.561 4.863 -2.612 1.00 0.00 O ATOM 70 CB LYS A 4 -8.240 6.104 -5.225 1.00 0.00 C ATOM 71 CG LYS A 4 -9.091 6.505 -6.421 1.00 0.00 C ATOM 72 CD LYS A 4 -8.707 5.727 -7.669 1.00 0.00 C ATOM 73 CE LYS A 4 -9.535 6.153 -8.871 1.00 0.00 C ATOM 74 NZ LYS A 4 -9.196 7.526 -9.331 1.00 0.00 N ATOM 0 H LYS A 4 -10.241 5.011 -4.111 1.00 0.00 H new ATOM 0 HA LYS A 4 -8.019 4.032 -5.730 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -8.544 6.695 -4.361 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -7.200 6.354 -5.432 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -10.143 6.332 -6.194 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -8.976 7.573 -6.608 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -7.649 5.880 -7.883 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -8.845 4.661 -7.491 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -9.375 5.449 -9.687 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -10.593 6.109 -8.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -9.697 7.728 -10.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -9.483 8.215 -8.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -8.170 7.596 -9.489 1.00 0.00 H new ATOM 88 N ILE A 5 -6.460 3.419 -3.917 1.00 0.00 N ATOM 89 CA ILE A 5 -5.545 3.020 -2.862 1.00 0.00 C ATOM 90 C ILE A 5 -4.098 3.124 -3.330 1.00 0.00 C ATOM 91 O ILE A 5 -3.766 2.732 -4.448 1.00 0.00 O ATOM 92 CB ILE A 5 -5.826 1.572 -2.401 1.00 0.00 C ATOM 93 CG1 ILE A 5 -7.291 1.424 -1.976 1.00 0.00 C ATOM 94 CG2 ILE A 5 -4.895 1.184 -1.257 1.00 0.00 C ATOM 95 CD1 ILE A 5 -7.666 0.021 -1.542 1.00 0.00 C ATOM 0 H ILE A 5 -6.303 2.957 -4.813 1.00 0.00 H new ATOM 0 HA ILE A 5 -5.702 3.698 -2.023 1.00 0.00 H new ATOM 0 HB ILE A 5 -5.638 0.899 -3.238 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -7.493 2.113 -1.156 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -7.932 1.720 -2.807 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -5.108 0.161 -0.946 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -3.860 1.254 -1.591 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -5.051 1.859 -0.416 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -8.718 -0.003 -1.257 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -7.498 -0.672 -2.366 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -7.052 -0.273 -0.690 1.00 0.00 H new ATOM 107 N ILE A 6 -3.247 3.677 -2.486 1.00 0.00 N ATOM 108 CA ILE A 6 -1.817 3.666 -2.741 1.00 0.00 C ATOM 109 C ILE A 6 -1.131 2.826 -1.675 1.00 0.00 C ATOM 110 O ILE A 6 -1.488 2.889 -0.496 1.00 0.00 O ATOM 111 CB ILE A 6 -1.180 5.082 -2.800 1.00 0.00 C ATOM 112 CG1 ILE A 6 -1.380 5.864 -1.489 1.00 0.00 C ATOM 113 CG2 ILE A 6 -1.741 5.861 -3.981 1.00 0.00 C ATOM 114 CD1 ILE A 6 -2.750 6.486 -1.330 1.00 0.00 C ATOM 0 H ILE A 6 -3.520 4.139 -1.619 1.00 0.00 H new ATOM 0 HA ILE A 6 -1.671 3.233 -3.731 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.106 4.954 -2.934 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -1.201 5.192 -0.650 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -0.629 6.652 -1.433 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -1.287 6.852 -4.012 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -1.517 5.330 -4.906 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -2.821 5.960 -3.872 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -2.801 7.016 -0.379 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -2.929 7.186 -2.146 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -3.509 5.704 -1.350 1.00 0.00 H new ATOM 126 N ALA A 7 -0.174 2.018 -2.084 1.00 0.00 N ATOM 127 CA ALA A 7 0.467 1.097 -1.165 1.00 0.00 C ATOM 128 C ALA A 7 1.975 1.150 -1.303 1.00 0.00 C ATOM 129 O ALA A 7 2.504 1.129 -2.409 1.00 0.00 O ATOM 130 CB ALA A 7 -0.035 -0.318 -1.404 1.00 0.00 C ATOM 0 H ALA A 7 0.176 1.979 -3.041 1.00 0.00 H new ATOM 0 HA ALA A 7 0.210 1.397 -0.149 1.00 0.00 H new ATOM 0 HB1 ALA A 7 0.454 -1.000 -0.708 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -1.113 -0.353 -1.249 1.00 0.00 H new ATOM 0 HB3 ALA A 7 0.194 -0.618 -2.427 1.00 0.00 H new ATOM 136 N VAL A 8 2.658 1.227 -0.178 1.00 0.00 N ATOM 137 CA VAL A 8 4.110 1.218 -0.169 1.00 0.00 C ATOM 138 C VAL A 8 4.609 -0.094 0.416 1.00 0.00 C ATOM 139 O VAL A 8 4.144 -0.528 1.469 1.00 0.00 O ATOM 140 CB VAL A 8 4.683 2.398 0.643 1.00 0.00 C ATOM 141 CG1 VAL A 8 6.202 2.428 0.562 1.00 0.00 C ATOM 142 CG2 VAL A 8 4.090 3.715 0.161 1.00 0.00 C ATOM 0 H VAL A 8 2.230 1.297 0.745 1.00 0.00 H new ATOM 0 HA VAL A 8 4.452 1.322 -1.199 1.00 0.00 H new ATOM 0 HB VAL A 8 4.406 2.258 1.688 1.00 0.00 H new ATOM 0 HG11 VAL A 8 6.581 3.269 1.143 1.00 0.00 H new ATOM 0 HG12 VAL A 8 6.606 1.499 0.963 1.00 0.00 H new ATOM 0 HG13 VAL A 8 6.509 2.538 -0.478 1.00 0.00 H new ATOM 0 HG21 VAL A 8 4.505 4.536 0.745 1.00 0.00 H new ATOM 0 HG22 VAL A 8 4.332 3.859 -0.892 1.00 0.00 H new ATOM 0 HG23 VAL A 8 3.007 3.693 0.285 1.00 0.00 H new ATOM 152 N THR A 9 5.534 -0.733 -0.279 1.00 0.00 N ATOM 153 CA THR A 9 6.077 -2.005 0.168 1.00 0.00 C ATOM 154 C THR A 9 7.554 -1.875 0.524 1.00 0.00 C ATOM 155 O THR A 9 8.342 -1.332 -0.253 1.00 0.00 O ATOM 156 CB THR A 9 5.884 -3.103 -0.900 1.00 0.00 C ATOM 157 OG1 THR A 9 6.257 -2.615 -2.198 1.00 0.00 O ATOM 158 CG2 THR A 9 4.439 -3.574 -0.927 1.00 0.00 C ATOM 0 H THR A 9 5.926 -0.392 -1.157 1.00 0.00 H new ATOM 0 HA THR A 9 5.528 -2.296 1.063 1.00 0.00 H new ATOM 0 HB THR A 9 6.526 -3.944 -0.639 1.00 0.00 H new ATOM 0 HG1 THR A 9 5.935 -1.696 -2.307 1.00 0.00 H new ATOM 0 HG21 THR A 9 4.323 -4.348 -1.686 1.00 0.00 H new ATOM 0 HG22 THR A 9 4.170 -3.979 0.049 1.00 0.00 H new ATOM 0 HG23 THR A 9 3.787 -2.733 -1.163 1.00 0.00 H new ATOM 166 N ALA A 10 7.916 -2.363 1.704 1.00 0.00 N ATOM 167 CA ALA A 10 9.290 -2.290 2.178 1.00 0.00 C ATOM 168 C ALA A 10 9.624 -3.498 3.033 1.00 0.00 C ATOM 169 O ALA A 10 8.733 -4.133 3.594 1.00 0.00 O ATOM 170 CB ALA A 10 9.515 -1.016 2.974 1.00 0.00 C ATOM 0 H ALA A 10 7.272 -2.816 2.353 1.00 0.00 H new ATOM 0 HA ALA A 10 9.947 -2.281 1.308 1.00 0.00 H new ATOM 0 HB1 ALA A 10 10.548 -0.980 3.319 1.00 0.00 H new ATOM 0 HB2 ALA A 10 9.314 -0.151 2.341 1.00 0.00 H new ATOM 0 HB3 ALA A 10 8.844 -1.001 3.833 1.00 0.00 H new ATOM 176 N CYS A 11 10.911 -3.792 3.149 1.00 0.00 N ATOM 177 CA CYS A 11 11.378 -4.924 3.937 1.00 0.00 C ATOM 178 C CYS A 11 12.898 -4.950 3.957 1.00 0.00 C ATOM 179 O CYS A 11 13.503 -5.344 4.954 1.00 0.00 O ATOM 180 CB CYS A 11 10.835 -6.244 3.376 1.00 0.00 C ATOM 181 SG CYS A 11 11.219 -7.696 4.381 1.00 0.00 S ATOM 0 H CYS A 11 11.656 -3.257 2.703 1.00 0.00 H new ATOM 0 HA CYS A 11 11.008 -4.810 4.956 1.00 0.00 H new ATOM 0 HB2 CYS A 11 9.753 -6.164 3.274 1.00 0.00 H new ATOM 0 HB3 CYS A 11 11.239 -6.393 2.375 1.00 0.00 H new ATOM 0 HG CYS A 11 10.544 -8.717 3.944 1.00 0.00 H new ATOM 187 N ALA A 12 13.499 -4.526 2.841 1.00 0.00 N ATOM 188 CA ALA A 12 14.953 -4.430 2.694 1.00 0.00 C ATOM 189 C ALA A 12 15.606 -5.810 2.631 1.00 0.00 C ATOM 190 O ALA A 12 16.099 -6.220 1.579 1.00 0.00 O ATOM 191 CB ALA A 12 15.569 -3.583 3.806 1.00 0.00 C ATOM 0 H ALA A 12 12.985 -4.238 2.008 1.00 0.00 H new ATOM 0 HA ALA A 12 15.149 -3.931 1.745 1.00 0.00 H new ATOM 0 HB1 ALA A 12 16.649 -3.531 3.668 1.00 0.00 H new ATOM 0 HB2 ALA A 12 15.150 -2.577 3.772 1.00 0.00 H new ATOM 0 HB3 ALA A 12 15.348 -4.035 4.773 1.00 0.00 H new ATOM 197 N THR A 13 15.594 -6.529 3.747 1.00 0.00 N ATOM 198 CA THR A 13 16.178 -7.860 3.806 1.00 0.00 C ATOM 199 C THR A 13 15.334 -8.857 3.010 1.00 0.00 C ATOM 200 O THR A 13 15.858 -9.621 2.195 1.00 0.00 O ATOM 201 CB THR A 13 16.316 -8.336 5.267 1.00 0.00 C ATOM 202 OG1 THR A 13 17.114 -7.402 6.011 1.00 0.00 O ATOM 203 CG2 THR A 13 16.957 -9.713 5.337 1.00 0.00 C ATOM 0 H THR A 13 15.184 -6.210 4.625 1.00 0.00 H new ATOM 0 HA THR A 13 17.172 -7.808 3.362 1.00 0.00 H new ATOM 0 HB THR A 13 15.317 -8.396 5.698 1.00 0.00 H new ATOM 0 HG1 THR A 13 17.197 -7.708 6.938 1.00 0.00 H new ATOM 0 HG21 THR A 13 17.041 -10.023 6.379 1.00 0.00 H new ATOM 0 HG22 THR A 13 16.340 -10.429 4.794 1.00 0.00 H new ATOM 0 HG23 THR A 13 17.950 -9.676 4.888 1.00 0.00 H new ATOM 211 N GLY A 14 14.028 -8.841 3.241 1.00 0.00 N ATOM 212 CA GLY A 14 13.135 -9.715 2.506 1.00 0.00 C ATOM 213 C GLY A 14 12.736 -9.115 1.173 1.00 0.00 C ATOM 214 O GLY A 14 11.602 -8.655 1.003 1.00 0.00 O ATOM 0 H GLY A 14 13.571 -8.238 3.925 1.00 0.00 H new ATOM 0 HA2 GLY A 14 13.621 -10.677 2.341 1.00 0.00 H new ATOM 0 HA3 GLY A 14 12.242 -9.907 3.101 1.00 0.00 H new ATOM 218 N VAL A 15 13.669 -9.123 0.232 1.00 0.00 N ATOM 219 CA VAL A 15 13.463 -8.516 -1.078 1.00 0.00 C ATOM 220 C VAL A 15 12.285 -9.151 -1.808 1.00 0.00 C ATOM 221 O VAL A 15 11.398 -8.451 -2.297 1.00 0.00 O ATOM 222 CB VAL A 15 14.728 -8.645 -1.949 1.00 0.00 C ATOM 223 CG1 VAL A 15 14.592 -7.829 -3.226 1.00 0.00 C ATOM 224 CG2 VAL A 15 15.959 -8.221 -1.168 1.00 0.00 C ATOM 0 H VAL A 15 14.588 -9.549 0.353 1.00 0.00 H new ATOM 0 HA VAL A 15 13.245 -7.461 -0.910 1.00 0.00 H new ATOM 0 HB VAL A 15 14.844 -9.692 -2.229 1.00 0.00 H new ATOM 0 HG11 VAL A 15 15.497 -7.936 -3.824 1.00 0.00 H new ATOM 0 HG12 VAL A 15 13.735 -8.187 -3.797 1.00 0.00 H new ATOM 0 HG13 VAL A 15 14.446 -6.779 -2.973 1.00 0.00 H new ATOM 0 HG21 VAL A 15 16.842 -8.319 -1.799 1.00 0.00 H new ATOM 0 HG22 VAL A 15 15.851 -7.183 -0.854 1.00 0.00 H new ATOM 0 HG23 VAL A 15 16.069 -8.856 -0.289 1.00 0.00 H new ATOM 234 N ALA A 16 12.268 -10.478 -1.858 1.00 0.00 N ATOM 235 CA ALA A 16 11.213 -11.201 -2.559 1.00 0.00 C ATOM 236 C ALA A 16 9.858 -10.960 -1.910 1.00 0.00 C ATOM 237 O ALA A 16 8.842 -10.860 -2.596 1.00 0.00 O ATOM 238 CB ALA A 16 11.524 -12.686 -2.601 1.00 0.00 C ATOM 0 H ALA A 16 12.971 -11.074 -1.422 1.00 0.00 H new ATOM 0 HA ALA A 16 11.169 -10.824 -3.581 1.00 0.00 H new ATOM 0 HB1 ALA A 16 10.726 -13.210 -3.128 1.00 0.00 H new ATOM 0 HB2 ALA A 16 12.468 -12.845 -3.122 1.00 0.00 H new ATOM 0 HB3 ALA A 16 11.601 -13.071 -1.584 1.00 0.00 H new ATOM 244 N HIS A 17 9.849 -10.848 -0.584 1.00 0.00 N ATOM 245 CA HIS A 17 8.614 -10.581 0.147 1.00 0.00 C ATOM 246 C HIS A 17 8.057 -9.213 -0.227 1.00 0.00 C ATOM 247 O HIS A 17 6.842 -9.024 -0.291 1.00 0.00 O ATOM 248 CB HIS A 17 8.833 -10.649 1.659 1.00 0.00 C ATOM 249 CG HIS A 17 9.076 -12.031 2.180 1.00 0.00 C ATOM 250 ND1 HIS A 17 8.217 -13.088 1.965 1.00 0.00 N ATOM 251 CD2 HIS A 17 10.087 -12.522 2.927 1.00 0.00 C ATOM 252 CE1 HIS A 17 8.688 -14.164 2.566 1.00 0.00 C ATOM 253 NE2 HIS A 17 9.823 -13.850 3.156 1.00 0.00 N ATOM 0 H HIS A 17 10.678 -10.937 0.003 1.00 0.00 H new ATOM 0 HA HIS A 17 7.896 -11.353 -0.132 1.00 0.00 H new ATOM 0 HB2 HIS A 17 9.683 -10.019 1.921 1.00 0.00 H new ATOM 0 HB3 HIS A 17 7.960 -10.231 2.161 1.00 0.00 H new ATOM 0 HD2 HIS A 17 10.946 -11.971 3.280 1.00 0.00 H new ATOM 0 HE1 HIS A 17 8.222 -15.138 2.573 1.00 0.00 H new ATOM 0 HE2 HIS A 17 10.409 -14.488 3.694 1.00 0.00 H new ATOM 262 N THR A 18 8.959 -8.276 -0.492 1.00 0.00 N ATOM 263 CA THR A 18 8.578 -6.919 -0.859 1.00 0.00 C ATOM 264 C THR A 18 7.821 -6.913 -2.188 1.00 0.00 C ATOM 265 O THR A 18 6.744 -6.324 -2.300 1.00 0.00 O ATOM 266 CB THR A 18 9.821 -6.010 -0.962 1.00 0.00 C ATOM 267 OG1 THR A 18 10.597 -6.103 0.242 1.00 0.00 O ATOM 268 CG2 THR A 18 9.422 -4.560 -1.193 1.00 0.00 C ATOM 0 H THR A 18 9.966 -8.434 -0.459 1.00 0.00 H new ATOM 0 HA THR A 18 7.924 -6.532 -0.078 1.00 0.00 H new ATOM 0 HB THR A 18 10.415 -6.347 -1.811 1.00 0.00 H new ATOM 0 HG1 THR A 18 11.007 -6.991 0.299 1.00 0.00 H new ATOM 0 HG21 THR A 18 10.318 -3.943 -1.261 1.00 0.00 H new ATOM 0 HG22 THR A 18 8.856 -4.482 -2.121 1.00 0.00 H new ATOM 0 HG23 THR A 18 8.806 -4.215 -0.362 1.00 0.00 H new ATOM 276 N TYR A 19 8.378 -7.592 -3.186 1.00 0.00 N ATOM 277 CA TYR A 19 7.740 -7.685 -4.491 1.00 0.00 C ATOM 278 C TYR A 19 6.454 -8.492 -4.402 1.00 0.00 C ATOM 279 O TYR A 19 5.457 -8.159 -5.044 1.00 0.00 O ATOM 280 CB TYR A 19 8.677 -8.328 -5.515 1.00 0.00 C ATOM 281 CG TYR A 19 9.879 -7.484 -5.870 1.00 0.00 C ATOM 282 CD1 TYR A 19 9.749 -6.367 -6.687 1.00 0.00 C ATOM 283 CD2 TYR A 19 11.143 -7.808 -5.397 1.00 0.00 C ATOM 284 CE1 TYR A 19 10.846 -5.598 -7.020 1.00 0.00 C ATOM 285 CE2 TYR A 19 12.243 -7.045 -5.729 1.00 0.00 C ATOM 286 CZ TYR A 19 12.090 -5.942 -6.539 1.00 0.00 C ATOM 287 OH TYR A 19 13.187 -5.182 -6.876 1.00 0.00 O ATOM 0 H TYR A 19 9.268 -8.085 -3.115 1.00 0.00 H new ATOM 0 HA TYR A 19 7.506 -6.672 -4.817 1.00 0.00 H new ATOM 0 HB2 TYR A 19 9.022 -9.285 -5.124 1.00 0.00 H new ATOM 0 HB3 TYR A 19 8.114 -8.539 -6.424 1.00 0.00 H new ATOM 0 HD1 TYR A 19 8.775 -6.097 -7.067 1.00 0.00 H new ATOM 0 HD2 TYR A 19 11.267 -8.671 -4.759 1.00 0.00 H new ATOM 0 HE1 TYR A 19 10.729 -4.732 -7.654 1.00 0.00 H new ATOM 0 HE2 TYR A 19 13.221 -7.312 -5.355 1.00 0.00 H new ATOM 0 HH TYR A 19 13.036 -4.252 -6.605 1.00 0.00 H new ATOM 297 N MET A 20 6.484 -9.551 -3.600 1.00 0.00 N ATOM 298 CA MET A 20 5.324 -10.413 -3.433 1.00 0.00 C ATOM 299 C MET A 20 4.131 -9.624 -2.913 1.00 0.00 C ATOM 300 O MET A 20 3.064 -9.641 -3.518 1.00 0.00 O ATOM 301 CB MET A 20 5.632 -11.563 -2.481 1.00 0.00 C ATOM 302 CG MET A 20 4.476 -12.536 -2.336 1.00 0.00 C ATOM 303 SD MET A 20 4.133 -13.447 -3.856 1.00 0.00 S ATOM 304 CE MET A 20 5.681 -14.321 -4.084 1.00 0.00 C ATOM 0 H MET A 20 7.300 -9.831 -3.056 1.00 0.00 H new ATOM 0 HA MET A 20 5.076 -10.823 -4.412 1.00 0.00 H new ATOM 0 HB2 MET A 20 6.510 -12.100 -2.840 1.00 0.00 H new ATOM 0 HB3 MET A 20 5.885 -11.159 -1.501 1.00 0.00 H new ATOM 0 HG2 MET A 20 4.700 -13.243 -1.537 1.00 0.00 H new ATOM 0 HG3 MET A 20 3.582 -11.989 -2.036 1.00 0.00 H new ATOM 0 HE1 MET A 20 5.528 -15.163 -4.760 1.00 0.00 H new ATOM 0 HE2 MET A 20 6.422 -13.644 -4.510 1.00 0.00 H new ATOM 0 HE3 MET A 20 6.036 -14.689 -3.121 1.00 0.00 H new ATOM 314 N ALA A 21 4.327 -8.915 -1.805 1.00 0.00 N ATOM 315 CA ALA A 21 3.254 -8.143 -1.193 1.00 0.00 C ATOM 316 C ALA A 21 2.721 -7.091 -2.154 1.00 0.00 C ATOM 317 O ALA A 21 1.514 -6.884 -2.248 1.00 0.00 O ATOM 318 CB ALA A 21 3.734 -7.488 0.092 1.00 0.00 C ATOM 0 H ALA A 21 5.219 -8.860 -1.314 1.00 0.00 H new ATOM 0 HA ALA A 21 2.441 -8.829 -0.954 1.00 0.00 H new ATOM 0 HB1 ALA A 21 2.919 -6.916 0.535 1.00 0.00 H new ATOM 0 HB2 ALA A 21 4.060 -8.257 0.792 1.00 0.00 H new ATOM 0 HB3 ALA A 21 4.568 -6.821 -0.129 1.00 0.00 H new ATOM 324 N ALA A 22 3.628 -6.442 -2.876 1.00 0.00 N ATOM 325 CA ALA A 22 3.251 -5.426 -3.853 1.00 0.00 C ATOM 326 C ALA A 22 2.342 -6.014 -4.928 1.00 0.00 C ATOM 327 O ALA A 22 1.277 -5.471 -5.233 1.00 0.00 O ATOM 328 CB ALA A 22 4.497 -4.823 -4.485 1.00 0.00 C ATOM 0 H ALA A 22 4.633 -6.602 -2.803 1.00 0.00 H new ATOM 0 HA ALA A 22 2.699 -4.640 -3.337 1.00 0.00 H new ATOM 0 HB1 ALA A 22 4.206 -4.066 -5.213 1.00 0.00 H new ATOM 0 HB2 ALA A 22 5.112 -4.364 -3.711 1.00 0.00 H new ATOM 0 HB3 ALA A 22 5.067 -5.606 -4.985 1.00 0.00 H new ATOM 334 N GLN A 23 2.764 -7.143 -5.476 1.00 0.00 N ATOM 335 CA GLN A 23 2.028 -7.807 -6.541 1.00 0.00 C ATOM 336 C GLN A 23 0.753 -8.458 -6.012 1.00 0.00 C ATOM 337 O GLN A 23 -0.234 -8.571 -6.736 1.00 0.00 O ATOM 338 CB GLN A 23 2.921 -8.847 -7.219 1.00 0.00 C ATOM 339 CG GLN A 23 4.063 -8.232 -8.013 1.00 0.00 C ATOM 340 CD GLN A 23 5.084 -9.254 -8.473 1.00 0.00 C ATOM 341 OE1 GLN A 23 5.297 -10.287 -7.670 1.00 0.00 O flip ATOM 342 NE2 GLN A 23 5.692 -9.104 -9.534 1.00 0.00 N flip ATOM 0 H GLN A 23 3.620 -7.622 -5.198 1.00 0.00 H new ATOM 0 HA GLN A 23 1.734 -7.056 -7.275 1.00 0.00 H new ATOM 0 HB2 GLN A 23 3.332 -9.513 -6.460 1.00 0.00 H new ATOM 0 HB3 GLN A 23 2.313 -9.459 -7.885 1.00 0.00 H new ATOM 0 HG2 GLN A 23 3.657 -7.716 -8.883 1.00 0.00 H new ATOM 0 HG3 GLN A 23 4.561 -7.480 -7.400 1.00 0.00 H new ATOM 0 HE21 GLN A 23 5.498 -8.294 -10.123 1.00 0.00 H new ATOM 0 HE22 GLN A 23 6.390 -9.790 -9.823 1.00 0.00 H new ATOM 351 N ALA A 24 0.779 -8.883 -4.756 1.00 0.00 N ATOM 352 CA ALA A 24 -0.383 -9.502 -4.130 1.00 0.00 C ATOM 353 C ALA A 24 -1.446 -8.458 -3.806 1.00 0.00 C ATOM 354 O ALA A 24 -2.640 -8.697 -3.998 1.00 0.00 O ATOM 355 CB ALA A 24 0.025 -10.258 -2.873 1.00 0.00 C ATOM 0 H ALA A 24 1.595 -8.810 -4.148 1.00 0.00 H new ATOM 0 HA ALA A 24 -0.810 -10.213 -4.837 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -0.856 -10.713 -2.420 1.00 0.00 H new ATOM 0 HB2 ALA A 24 0.742 -11.036 -3.133 1.00 0.00 H new ATOM 0 HB3 ALA A 24 0.481 -9.567 -2.165 1.00 0.00 H new ATOM 361 N LEU A 25 -1.010 -7.303 -3.319 1.00 0.00 N ATOM 362 CA LEU A 25 -1.924 -6.194 -3.053 1.00 0.00 C ATOM 363 C LEU A 25 -2.628 -5.755 -4.332 1.00 0.00 C ATOM 364 O LEU A 25 -3.846 -5.580 -4.352 1.00 0.00 O ATOM 365 CB LEU A 25 -1.182 -5.009 -2.428 1.00 0.00 C ATOM 366 CG LEU A 25 -0.792 -5.187 -0.960 1.00 0.00 C ATOM 367 CD1 LEU A 25 0.060 -4.020 -0.488 1.00 0.00 C ATOM 368 CD2 LEU A 25 -2.038 -5.312 -0.096 1.00 0.00 C ATOM 0 H LEU A 25 -0.033 -7.108 -3.100 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.674 -6.545 -2.344 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.278 -4.820 -3.007 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.808 -4.121 -2.516 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.206 -6.102 -0.867 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.327 -4.165 0.559 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.967 -3.965 -1.090 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.503 -3.092 -0.594 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.747 -5.438 0.947 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.643 -4.411 -0.197 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.619 -6.177 -0.418 1.00 0.00 H new ATOM 380 N LYS A 26 -1.853 -5.588 -5.399 1.00 0.00 N ATOM 381 CA LYS A 26 -2.406 -5.224 -6.702 1.00 0.00 C ATOM 382 C LYS A 26 -3.355 -6.313 -7.194 1.00 0.00 C ATOM 383 O LYS A 26 -4.435 -6.029 -7.714 1.00 0.00 O ATOM 384 CB LYS A 26 -1.275 -5.010 -7.712 1.00 0.00 C ATOM 385 CG LYS A 26 -1.752 -4.578 -9.093 1.00 0.00 C ATOM 386 CD LYS A 26 -0.592 -4.454 -10.067 1.00 0.00 C ATOM 387 CE LYS A 26 0.360 -3.335 -9.677 1.00 0.00 C ATOM 388 NZ LYS A 26 1.550 -3.300 -10.562 1.00 0.00 N ATOM 0 H LYS A 26 -0.839 -5.699 -5.388 1.00 0.00 H new ATOM 0 HA LYS A 26 -2.965 -4.294 -6.600 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -0.592 -4.256 -7.322 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -0.707 -5.935 -7.808 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -2.473 -5.302 -9.473 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -2.270 -3.622 -9.018 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -0.047 -5.397 -10.104 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -0.978 -4.269 -11.069 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -0.161 -2.379 -9.728 1.00 0.00 H new ATOM 0 HE3 LYS A 26 0.678 -3.470 -8.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 2.178 -2.525 -10.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 2.060 -4.204 -10.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 1.247 -3.146 -11.545 1.00 0.00 H new ATOM 402 N LYS A 27 -2.929 -7.558 -7.014 1.00 0.00 N ATOM 403 CA LYS A 27 -3.721 -8.732 -7.363 1.00 0.00 C ATOM 404 C LYS A 27 -5.082 -8.700 -6.670 1.00 0.00 C ATOM 405 O LYS A 27 -6.122 -8.861 -7.309 1.00 0.00 O ATOM 406 CB LYS A 27 -2.936 -9.972 -6.939 1.00 0.00 C ATOM 407 CG LYS A 27 -3.581 -11.305 -7.263 1.00 0.00 C ATOM 408 CD LYS A 27 -2.723 -12.428 -6.710 1.00 0.00 C ATOM 409 CE LYS A 27 -3.234 -13.804 -7.097 1.00 0.00 C ATOM 410 NZ LYS A 27 -2.328 -14.873 -6.592 1.00 0.00 N ATOM 0 H LYS A 27 -2.016 -7.783 -6.618 1.00 0.00 H new ATOM 0 HA LYS A 27 -3.905 -8.748 -8.437 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -1.956 -9.939 -7.415 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -2.769 -9.923 -5.863 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -4.581 -11.351 -6.833 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -3.692 -11.415 -8.342 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -1.701 -12.310 -7.071 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -2.688 -12.351 -5.623 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -4.236 -13.951 -6.693 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -3.315 -13.874 -8.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -2.700 -15.803 -6.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.379 -14.744 -6.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -2.271 -14.819 -5.555 1.00 0.00 H new ATOM 424 N GLY A 28 -5.062 -8.477 -5.360 1.00 0.00 N ATOM 425 CA GLY A 28 -6.289 -8.442 -4.590 1.00 0.00 C ATOM 426 C GLY A 28 -7.137 -7.226 -4.898 1.00 0.00 C ATOM 427 O GLY A 28 -8.365 -7.304 -4.907 1.00 0.00 O ATOM 0 H GLY A 28 -4.213 -8.319 -4.817 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -6.867 -9.344 -4.793 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -6.047 -8.451 -3.527 1.00 0.00 H new ATOM 431 N ALA A 29 -6.487 -6.099 -5.150 1.00 0.00 N ATOM 432 CA ALA A 29 -7.196 -4.859 -5.428 1.00 0.00 C ATOM 433 C ALA A 29 -8.015 -4.969 -6.708 1.00 0.00 C ATOM 434 O ALA A 29 -9.194 -4.618 -6.729 1.00 0.00 O ATOM 435 CB ALA A 29 -6.226 -3.697 -5.523 1.00 0.00 C ATOM 0 H ALA A 29 -5.470 -6.018 -5.168 1.00 0.00 H new ATOM 0 HA ALA A 29 -7.881 -4.675 -4.600 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -6.777 -2.780 -5.731 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -5.690 -3.592 -4.580 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -5.513 -3.883 -6.326 1.00 0.00 H new ATOM 441 N LYS A 30 -7.392 -5.461 -7.771 1.00 0.00 N ATOM 442 CA LYS A 30 -8.082 -5.617 -9.044 1.00 0.00 C ATOM 443 C LYS A 30 -9.123 -6.734 -8.956 1.00 0.00 C ATOM 444 O LYS A 30 -10.112 -6.732 -9.689 1.00 0.00 O ATOM 445 CB LYS A 30 -7.085 -5.880 -10.179 1.00 0.00 C ATOM 446 CG LYS A 30 -6.351 -7.207 -10.080 1.00 0.00 C ATOM 447 CD LYS A 30 -5.256 -7.314 -11.131 1.00 0.00 C ATOM 448 CE LYS A 30 -5.796 -7.075 -12.535 1.00 0.00 C ATOM 449 NZ LYS A 30 -4.720 -7.130 -13.559 1.00 0.00 N ATOM 0 H LYS A 30 -6.416 -5.757 -7.777 1.00 0.00 H new ATOM 0 HA LYS A 30 -8.602 -4.685 -9.268 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -7.618 -5.844 -11.129 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -6.351 -5.074 -10.195 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -5.915 -7.311 -9.086 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -7.059 -8.027 -10.205 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -4.472 -6.588 -10.914 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -4.799 -8.302 -11.081 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -6.554 -7.823 -12.765 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -6.286 -6.102 -12.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -5.128 -6.963 -14.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -4.009 -6.399 -13.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -4.269 -8.067 -13.539 1.00 0.00 H new ATOM 463 N LYS A 31 -8.892 -7.677 -8.047 1.00 0.00 N ATOM 464 CA LYS A 31 -9.841 -8.755 -7.796 1.00 0.00 C ATOM 465 C LYS A 31 -11.105 -8.201 -7.147 1.00 0.00 C ATOM 466 O LYS A 31 -12.222 -8.533 -7.545 1.00 0.00 O ATOM 467 CB LYS A 31 -9.205 -9.808 -6.884 1.00 0.00 C ATOM 468 CG LYS A 31 -10.058 -11.049 -6.683 1.00 0.00 C ATOM 469 CD LYS A 31 -10.191 -11.849 -7.969 1.00 0.00 C ATOM 470 CE LYS A 31 -11.037 -13.093 -7.763 1.00 0.00 C ATOM 471 NZ LYS A 31 -11.090 -13.940 -8.984 1.00 0.00 N ATOM 0 H LYS A 31 -8.052 -7.715 -7.470 1.00 0.00 H new ATOM 0 HA LYS A 31 -10.107 -9.219 -8.746 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -8.244 -10.105 -7.304 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -9.003 -9.358 -5.912 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -9.615 -11.675 -5.908 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -11.048 -10.758 -6.330 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -10.640 -11.226 -8.742 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -9.201 -12.135 -8.325 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -10.630 -13.675 -6.936 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -12.048 -12.801 -7.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -11.677 -14.778 -8.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -11.502 -13.394 -9.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -10.128 -14.241 -9.240 1.00 0.00 H new ATOM 485 N MET A 32 -10.915 -7.340 -6.155 1.00 0.00 N ATOM 486 CA MET A 32 -12.030 -6.735 -5.432 1.00 0.00 C ATOM 487 C MET A 32 -12.697 -5.636 -6.254 1.00 0.00 C ATOM 488 O MET A 32 -13.828 -5.240 -5.974 1.00 0.00 O ATOM 489 CB MET A 32 -11.548 -6.163 -4.100 1.00 0.00 C ATOM 490 CG MET A 32 -11.128 -7.220 -3.092 1.00 0.00 C ATOM 491 SD MET A 32 -12.506 -8.254 -2.557 1.00 0.00 S ATOM 492 CE MET A 32 -13.597 -7.032 -1.829 1.00 0.00 C ATOM 0 H MET A 32 -9.995 -7.043 -5.830 1.00 0.00 H new ATOM 0 HA MET A 32 -12.767 -7.516 -5.246 1.00 0.00 H new ATOM 0 HB2 MET A 32 -10.706 -5.497 -4.285 1.00 0.00 H new ATOM 0 HB3 MET A 32 -12.344 -5.557 -3.666 1.00 0.00 H new ATOM 0 HG2 MET A 32 -10.355 -7.850 -3.532 1.00 0.00 H new ATOM 0 HG3 MET A 32 -10.685 -6.733 -2.223 1.00 0.00 H new ATOM 0 HE1 MET A 32 -14.298 -7.525 -1.155 1.00 0.00 H new ATOM 0 HE2 MET A 32 -13.008 -6.305 -1.270 1.00 0.00 H new ATOM 0 HE3 MET A 32 -14.150 -6.522 -2.618 1.00 0.00 H new ATOM 502 N GLY A 33 -11.988 -5.141 -7.261 1.00 0.00 N ATOM 503 CA GLY A 33 -12.543 -4.124 -8.134 1.00 0.00 C ATOM 504 C GLY A 33 -12.179 -2.718 -7.700 1.00 0.00 C ATOM 505 O GLY A 33 -13.017 -1.819 -7.723 1.00 0.00 O ATOM 0 H GLY A 33 -11.036 -5.427 -7.489 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -12.186 -4.290 -9.151 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -13.628 -4.223 -8.157 1.00 0.00 H new ATOM 509 N ASN A 34 -10.929 -2.527 -7.297 1.00 0.00 N ATOM 510 CA ASN A 34 -10.453 -1.209 -6.893 1.00 0.00 C ATOM 511 C ASN A 34 -9.244 -0.813 -7.732 1.00 0.00 C ATOM 512 O ASN A 34 -8.802 -1.582 -8.589 1.00 0.00 O ATOM 513 CB ASN A 34 -10.080 -1.190 -5.406 1.00 0.00 C ATOM 514 CG ASN A 34 -11.184 -1.717 -4.507 1.00 0.00 C ATOM 515 OD1 ASN A 34 -12.150 -1.015 -4.205 1.00 0.00 O ATOM 516 ND2 ASN A 34 -11.037 -2.951 -4.048 1.00 0.00 N ATOM 0 H ASN A 34 -10.228 -3.266 -7.241 1.00 0.00 H new ATOM 0 HA ASN A 34 -11.259 -0.493 -7.054 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -9.181 -1.788 -5.256 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -9.837 -0.169 -5.112 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -11.737 -3.349 -3.423 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -10.223 -3.503 -4.320 1.00 0.00 H new ATOM 523 N LEU A 35 -8.712 0.378 -7.484 1.00 0.00 N ATOM 524 CA LEU A 35 -7.548 0.869 -8.214 1.00 0.00 C ATOM 525 C LEU A 35 -6.411 1.165 -7.245 1.00 0.00 C ATOM 526 O LEU A 35 -6.581 1.929 -6.295 1.00 0.00 O ATOM 527 CB LEU A 35 -7.906 2.129 -9.011 1.00 0.00 C ATOM 528 CG LEU A 35 -8.974 1.937 -10.091 1.00 0.00 C ATOM 529 CD1 LEU A 35 -9.266 3.252 -10.790 1.00 0.00 C ATOM 530 CD2 LEU A 35 -8.528 0.895 -11.103 1.00 0.00 C ATOM 0 H LEU A 35 -9.069 1.024 -6.780 1.00 0.00 H new ATOM 0 HA LEU A 35 -7.225 0.098 -8.914 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -8.250 2.894 -8.315 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -7.000 2.511 -9.482 1.00 0.00 H new ATOM 0 HG LEU A 35 -9.887 1.587 -9.609 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -10.027 3.097 -11.554 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -9.626 3.979 -10.062 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -8.355 3.626 -11.256 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -9.300 0.772 -11.863 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -7.602 1.220 -11.576 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -8.362 -0.056 -10.597 1.00 0.00 H new ATOM 542 N ILE A 36 -5.253 0.565 -7.487 1.00 0.00 N ATOM 543 CA ILE A 36 -4.138 0.683 -6.563 1.00 0.00 C ATOM 544 C ILE A 36 -2.847 1.088 -7.276 1.00 0.00 C ATOM 545 O ILE A 36 -2.551 0.618 -8.377 1.00 0.00 O ATOM 546 CB ILE A 36 -3.915 -0.639 -5.791 1.00 0.00 C ATOM 547 CG1 ILE A 36 -2.847 -0.453 -4.711 1.00 0.00 C ATOM 548 CG2 ILE A 36 -3.526 -1.762 -6.745 1.00 0.00 C ATOM 549 CD1 ILE A 36 -2.607 -1.686 -3.867 1.00 0.00 C ATOM 0 H ILE A 36 -5.064 -0.005 -8.311 1.00 0.00 H new ATOM 0 HA ILE A 36 -4.397 1.470 -5.855 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.851 -0.916 -5.306 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -1.910 -0.162 -5.186 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.142 0.369 -4.059 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.374 -2.682 -6.181 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.321 -1.911 -7.475 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.604 -1.497 -7.262 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.837 -1.475 -3.125 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.531 -1.966 -3.361 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.280 -2.506 -4.506 1.00 0.00 H new ATOM 561 N LYS A 37 -2.105 1.988 -6.648 1.00 0.00 N ATOM 562 CA LYS A 37 -0.780 2.362 -7.116 1.00 0.00 C ATOM 563 C LYS A 37 0.249 1.973 -6.068 1.00 0.00 C ATOM 564 O LYS A 37 0.313 2.571 -4.992 1.00 0.00 O ATOM 565 CB LYS A 37 -0.706 3.866 -7.420 1.00 0.00 C ATOM 566 CG LYS A 37 -1.619 4.300 -8.559 1.00 0.00 C ATOM 567 CD LYS A 37 -1.280 3.578 -9.855 1.00 0.00 C ATOM 568 CE LYS A 37 0.058 4.027 -10.422 1.00 0.00 C ATOM 569 NZ LYS A 37 0.004 5.415 -10.949 1.00 0.00 N ATOM 0 H LYS A 37 -2.403 2.477 -5.804 1.00 0.00 H new ATOM 0 HA LYS A 37 -0.568 1.831 -8.044 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -0.969 4.424 -6.521 1.00 0.00 H new ATOM 0 HB3 LYS A 37 0.322 4.128 -7.669 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -2.656 4.100 -8.291 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -1.530 5.376 -8.707 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -1.256 2.503 -9.676 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -2.065 3.761 -10.589 1.00 0.00 H new ATOM 0 HE2 LYS A 37 0.820 3.964 -9.645 1.00 0.00 H new ATOM 0 HE3 LYS A 37 0.359 3.348 -11.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 0.916 5.656 -11.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -0.751 5.487 -11.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -0.191 6.075 -10.169 1.00 0.00 H new ATOM 583 N VAL A 38 1.032 0.950 -6.375 1.00 0.00 N ATOM 584 CA VAL A 38 1.969 0.401 -5.409 1.00 0.00 C ATOM 585 C VAL A 38 3.395 0.888 -5.661 1.00 0.00 C ATOM 586 O VAL A 38 3.849 0.973 -6.801 1.00 0.00 O ATOM 587 CB VAL A 38 1.929 -1.147 -5.402 1.00 0.00 C ATOM 588 CG1 VAL A 38 2.373 -1.720 -6.741 1.00 0.00 C ATOM 589 CG2 VAL A 38 2.775 -1.707 -4.267 1.00 0.00 C ATOM 0 H VAL A 38 1.037 0.485 -7.283 1.00 0.00 H new ATOM 0 HA VAL A 38 1.657 0.761 -4.429 1.00 0.00 H new ATOM 0 HB VAL A 38 0.895 -1.450 -5.238 1.00 0.00 H new ATOM 0 HG11 VAL A 38 2.333 -2.809 -6.702 1.00 0.00 H new ATOM 0 HG12 VAL A 38 1.710 -1.361 -7.528 1.00 0.00 H new ATOM 0 HG13 VAL A 38 3.394 -1.402 -6.953 1.00 0.00 H new ATOM 0 HG21 VAL A 38 2.731 -2.796 -4.283 1.00 0.00 H new ATOM 0 HG22 VAL A 38 3.809 -1.384 -4.390 1.00 0.00 H new ATOM 0 HG23 VAL A 38 2.392 -1.343 -3.314 1.00 0.00 H new ATOM 599 N GLU A 39 4.078 1.227 -4.583 1.00 0.00 N ATOM 600 CA GLU A 39 5.470 1.643 -4.639 1.00 0.00 C ATOM 601 C GLU A 39 6.359 0.593 -3.984 1.00 0.00 C ATOM 602 O GLU A 39 5.975 -0.022 -2.986 1.00 0.00 O ATOM 603 CB GLU A 39 5.640 2.993 -3.935 1.00 0.00 C ATOM 604 CG GLU A 39 7.079 3.480 -3.859 1.00 0.00 C ATOM 605 CD GLU A 39 7.194 4.855 -3.239 1.00 0.00 C ATOM 606 OE1 GLU A 39 7.260 4.957 -2.001 1.00 0.00 O ATOM 607 OE2 GLU A 39 7.232 5.842 -3.998 1.00 0.00 O ATOM 0 H GLU A 39 3.684 1.222 -3.642 1.00 0.00 H new ATOM 0 HA GLU A 39 5.766 1.749 -5.683 1.00 0.00 H new ATOM 0 HB2 GLU A 39 5.043 3.740 -4.457 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.241 2.916 -2.924 1.00 0.00 H new ATOM 0 HG2 GLU A 39 7.668 2.772 -3.276 1.00 0.00 H new ATOM 0 HG3 GLU A 39 7.506 3.500 -4.862 1.00 0.00 H new ATOM 614 N THR A 40 7.537 0.384 -4.549 1.00 0.00 N ATOM 615 CA THR A 40 8.492 -0.549 -3.988 1.00 0.00 C ATOM 616 C THR A 40 9.686 0.224 -3.452 1.00 0.00 C ATOM 617 O THR A 40 10.454 0.807 -4.217 1.00 0.00 O ATOM 618 CB THR A 40 8.952 -1.578 -5.038 1.00 0.00 C ATOM 619 OG1 THR A 40 7.805 -2.214 -5.623 1.00 0.00 O ATOM 620 CG2 THR A 40 9.855 -2.634 -4.415 1.00 0.00 C ATOM 0 H THR A 40 7.853 0.851 -5.399 1.00 0.00 H new ATOM 0 HA THR A 40 8.012 -1.097 -3.178 1.00 0.00 H new ATOM 0 HB THR A 40 9.519 -1.052 -5.806 1.00 0.00 H new ATOM 0 HG1 THR A 40 8.099 -2.867 -6.292 1.00 0.00 H new ATOM 0 HG21 THR A 40 10.164 -3.346 -5.180 1.00 0.00 H new ATOM 0 HG22 THR A 40 10.736 -2.154 -3.989 1.00 0.00 H new ATOM 0 HG23 THR A 40 9.312 -3.159 -3.629 1.00 0.00 H new ATOM 628 N GLN A 41 9.823 0.263 -2.141 1.00 0.00 N ATOM 629 CA GLN A 41 10.857 1.066 -1.523 1.00 0.00 C ATOM 630 C GLN A 41 11.552 0.267 -0.437 1.00 0.00 C ATOM 631 O GLN A 41 11.015 0.095 0.649 1.00 0.00 O ATOM 632 CB GLN A 41 10.227 2.337 -0.956 1.00 0.00 C ATOM 633 CG GLN A 41 11.204 3.475 -0.744 1.00 0.00 C ATOM 634 CD GLN A 41 10.493 4.806 -0.619 1.00 0.00 C ATOM 635 OE1 GLN A 41 10.161 5.257 0.474 1.00 0.00 O ATOM 636 NE2 GLN A 41 10.239 5.438 -1.748 1.00 0.00 N ATOM 0 H GLN A 41 9.233 -0.250 -1.486 1.00 0.00 H new ATOM 0 HA GLN A 41 11.607 1.346 -2.263 1.00 0.00 H new ATOM 0 HB2 GLN A 41 9.439 2.671 -1.631 1.00 0.00 H new ATOM 0 HB3 GLN A 41 9.751 2.100 -0.004 1.00 0.00 H new ATOM 0 HG2 GLN A 41 11.790 3.289 0.156 1.00 0.00 H new ATOM 0 HG3 GLN A 41 11.905 3.513 -1.578 1.00 0.00 H new ATOM 0 HE21 GLN A 41 10.531 5.031 -2.637 1.00 0.00 H new ATOM 0 HE22 GLN A 41 9.751 6.333 -1.733 1.00 0.00 H new ATOM 645 N GLY A 42 12.739 -0.239 -0.747 1.00 0.00 N ATOM 646 CA GLY A 42 13.458 -1.071 0.200 1.00 0.00 C ATOM 647 C GLY A 42 13.791 -0.321 1.469 1.00 0.00 C ATOM 648 O GLY A 42 13.510 -0.794 2.568 1.00 0.00 O ATOM 0 H GLY A 42 13.217 -0.089 -1.636 1.00 0.00 H new ATOM 0 HA2 GLY A 42 12.857 -1.947 0.443 1.00 0.00 H new ATOM 0 HA3 GLY A 42 14.378 -1.433 -0.260 1.00 0.00 H new ATOM 652 N ALA A 43 14.384 0.853 1.291 1.00 0.00 N ATOM 653 CA ALA A 43 14.727 1.754 2.387 1.00 0.00 C ATOM 654 C ALA A 43 15.404 2.992 1.822 1.00 0.00 C ATOM 655 O ALA A 43 15.068 4.124 2.170 1.00 0.00 O ATOM 656 CB ALA A 43 15.636 1.078 3.407 1.00 0.00 C ATOM 0 H ALA A 43 14.644 1.211 0.372 1.00 0.00 H new ATOM 0 HA ALA A 43 13.809 2.034 2.903 1.00 0.00 H new ATOM 0 HB1 ALA A 43 15.870 1.780 4.208 1.00 0.00 H new ATOM 0 HB2 ALA A 43 15.131 0.207 3.824 1.00 0.00 H new ATOM 0 HB3 ALA A 43 16.559 0.763 2.920 1.00 0.00 H new ATOM 662 N THR A 44 16.358 2.759 0.932 1.00 0.00 N ATOM 663 CA THR A 44 17.076 3.840 0.277 1.00 0.00 C ATOM 664 C THR A 44 16.834 3.799 -1.232 1.00 0.00 C ATOM 665 O THR A 44 16.928 4.817 -1.921 1.00 0.00 O ATOM 666 CB THR A 44 18.587 3.738 0.567 1.00 0.00 C ATOM 667 OG1 THR A 44 18.789 3.400 1.946 1.00 0.00 O ATOM 668 CG2 THR A 44 19.293 5.051 0.260 1.00 0.00 C ATOM 0 H THR A 44 16.653 1.825 0.647 1.00 0.00 H new ATOM 0 HA THR A 44 16.705 4.786 0.671 1.00 0.00 H new ATOM 0 HB THR A 44 19.007 2.962 -0.073 1.00 0.00 H new ATOM 0 HG1 THR A 44 19.749 3.334 2.129 1.00 0.00 H new ATOM 0 HG21 THR A 44 20.357 4.951 0.474 1.00 0.00 H new ATOM 0 HG22 THR A 44 19.156 5.300 -0.792 1.00 0.00 H new ATOM 0 HG23 THR A 44 18.872 5.844 0.879 1.00 0.00 H new ATOM 676 N GLY A 45 16.508 2.611 -1.734 1.00 0.00 N ATOM 677 CA GLY A 45 16.221 2.442 -3.144 1.00 0.00 C ATOM 678 C GLY A 45 14.755 2.660 -3.440 1.00 0.00 C ATOM 679 O GLY A 45 13.889 2.200 -2.689 1.00 0.00 O ATOM 0 H GLY A 45 16.438 1.756 -1.182 1.00 0.00 H new ATOM 0 HA2 GLY A 45 16.819 3.144 -3.725 1.00 0.00 H new ATOM 0 HA3 GLY A 45 16.512 1.440 -3.458 1.00 0.00 H new ATOM 683 N ILE A 46 14.473 3.359 -4.525 1.00 0.00 N ATOM 684 CA ILE A 46 13.110 3.743 -4.859 1.00 0.00 C ATOM 685 C ILE A 46 12.706 3.162 -6.206 1.00 0.00 C ATOM 686 O ILE A 46 13.290 3.509 -7.233 1.00 0.00 O ATOM 687 CB ILE A 46 12.968 5.277 -4.938 1.00 0.00 C ATOM 688 CG1 ILE A 46 13.832 5.976 -3.879 1.00 0.00 C ATOM 689 CG2 ILE A 46 11.509 5.677 -4.783 1.00 0.00 C ATOM 690 CD1 ILE A 46 13.410 5.719 -2.448 1.00 0.00 C ATOM 0 H ILE A 46 15.174 3.675 -5.195 1.00 0.00 H new ATOM 0 HA ILE A 46 12.465 3.354 -4.071 1.00 0.00 H new ATOM 0 HB ILE A 46 13.322 5.598 -5.918 1.00 0.00 H new ATOM 0 HG12 ILE A 46 14.866 5.653 -4.002 1.00 0.00 H new ATOM 0 HG13 ILE A 46 13.810 7.050 -4.063 1.00 0.00 H new ATOM 0 HG21 ILE A 46 11.421 6.762 -4.840 1.00 0.00 H new ATOM 0 HG22 ILE A 46 10.920 5.223 -5.580 1.00 0.00 H new ATOM 0 HG23 ILE A 46 11.138 5.334 -3.817 1.00 0.00 H new ATOM 0 HD11 ILE A 46 14.077 6.252 -1.771 1.00 0.00 H new ATOM 0 HD12 ILE A 46 12.388 6.069 -2.302 1.00 0.00 H new ATOM 0 HD13 ILE A 46 13.461 4.650 -2.240 1.00 0.00 H new ATOM 702 N GLU A 47 11.711 2.282 -6.210 1.00 0.00 N ATOM 703 CA GLU A 47 11.216 1.717 -7.452 1.00 0.00 C ATOM 704 C GLU A 47 9.788 2.178 -7.706 1.00 0.00 C ATOM 705 O GLU A 47 8.966 2.224 -6.783 1.00 0.00 O ATOM 706 CB GLU A 47 11.308 0.191 -7.433 1.00 0.00 C ATOM 707 CG GLU A 47 12.729 -0.314 -7.234 1.00 0.00 C ATOM 708 CD GLU A 47 12.898 -1.768 -7.612 1.00 0.00 C ATOM 709 OE1 GLU A 47 13.086 -2.051 -8.815 1.00 0.00 O ATOM 710 OE2 GLU A 47 12.860 -2.631 -6.712 1.00 0.00 O ATOM 0 H GLU A 47 11.236 1.948 -5.371 1.00 0.00 H new ATOM 0 HA GLU A 47 11.842 2.074 -8.270 1.00 0.00 H new ATOM 0 HB2 GLU A 47 10.675 -0.196 -6.635 1.00 0.00 H new ATOM 0 HB3 GLU A 47 10.916 -0.203 -8.370 1.00 0.00 H new ATOM 0 HG2 GLU A 47 13.411 0.292 -7.830 1.00 0.00 H new ATOM 0 HG3 GLU A 47 13.013 -0.180 -6.190 1.00 0.00 H new ATOM 717 N ASN A 48 9.521 2.531 -8.961 1.00 0.00 N ATOM 718 CA ASN A 48 8.254 3.133 -9.392 1.00 0.00 C ATOM 719 C ASN A 48 8.166 4.580 -8.909 1.00 0.00 C ATOM 720 O ASN A 48 8.033 5.497 -9.719 1.00 0.00 O ATOM 721 CB ASN A 48 7.034 2.327 -8.918 1.00 0.00 C ATOM 722 CG ASN A 48 5.733 2.857 -9.499 1.00 0.00 C ATOM 723 OD1 ASN A 48 5.717 3.464 -10.570 1.00 0.00 O ATOM 724 ND2 ASN A 48 4.630 2.615 -8.809 1.00 0.00 N ATOM 0 H ASN A 48 10.188 2.406 -9.723 1.00 0.00 H new ATOM 0 HA ASN A 48 8.240 3.118 -10.482 1.00 0.00 H new ATOM 0 HB2 ASN A 48 7.158 1.282 -9.203 1.00 0.00 H new ATOM 0 HB3 ASN A 48 6.982 2.356 -7.830 1.00 0.00 H new ATOM 0 HD21 ASN A 48 3.728 2.935 -9.161 1.00 0.00 H new ATOM 0 HD22 ASN A 48 4.682 2.109 -7.925 1.00 0.00 H new ATOM 731 N GLU A 49 8.269 4.768 -7.593 1.00 0.00 N ATOM 732 CA GLU A 49 8.287 6.094 -6.969 1.00 0.00 C ATOM 733 C GLU A 49 6.968 6.834 -7.186 1.00 0.00 C ATOM 734 O GLU A 49 6.698 7.360 -8.267 1.00 0.00 O ATOM 735 CB GLU A 49 9.469 6.922 -7.490 1.00 0.00 C ATOM 736 CG GLU A 49 9.710 8.209 -6.714 1.00 0.00 C ATOM 737 CD GLU A 49 11.023 8.872 -7.084 1.00 0.00 C ATOM 738 OE1 GLU A 49 12.085 8.243 -6.897 1.00 0.00 O ATOM 739 OE2 GLU A 49 11.004 10.028 -7.555 1.00 0.00 O ATOM 0 H GLU A 49 8.343 4.001 -6.925 1.00 0.00 H new ATOM 0 HA GLU A 49 8.411 5.953 -5.895 1.00 0.00 H new ATOM 0 HB2 GLU A 49 10.372 6.312 -7.452 1.00 0.00 H new ATOM 0 HB3 GLU A 49 9.294 7.168 -8.537 1.00 0.00 H new ATOM 0 HG2 GLU A 49 8.890 8.902 -6.903 1.00 0.00 H new ATOM 0 HG3 GLU A 49 9.704 7.992 -5.646 1.00 0.00 H new ATOM 746 N LEU A 50 6.151 6.868 -6.149 1.00 0.00 N ATOM 747 CA LEU A 50 4.856 7.519 -6.218 1.00 0.00 C ATOM 748 C LEU A 50 5.003 9.021 -6.024 1.00 0.00 C ATOM 749 O LEU A 50 5.329 9.498 -4.931 1.00 0.00 O ATOM 750 CB LEU A 50 3.898 6.942 -5.173 1.00 0.00 C ATOM 751 CG LEU A 50 3.528 5.468 -5.366 1.00 0.00 C ATOM 752 CD1 LEU A 50 2.563 5.012 -4.281 1.00 0.00 C ATOM 753 CD2 LEU A 50 2.923 5.246 -6.743 1.00 0.00 C ATOM 0 H LEU A 50 6.364 6.449 -5.243 1.00 0.00 H new ATOM 0 HA LEU A 50 4.437 7.333 -7.207 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.348 7.060 -4.187 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.982 7.533 -5.178 1.00 0.00 H new ATOM 0 HG LEU A 50 4.438 4.873 -5.289 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.312 3.963 -4.435 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.030 5.134 -3.304 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.655 5.613 -4.326 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.666 4.193 -6.862 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.024 5.853 -6.847 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.645 5.532 -7.508 1.00 0.00 H new ATOM 765 N THR A 51 4.779 9.761 -7.097 1.00 0.00 N ATOM 766 CA THR A 51 4.837 11.208 -7.050 1.00 0.00 C ATOM 767 C THR A 51 3.621 11.768 -6.323 1.00 0.00 C ATOM 768 O THR A 51 2.635 11.056 -6.107 1.00 0.00 O ATOM 769 CB THR A 51 4.910 11.808 -8.467 1.00 0.00 C ATOM 770 OG1 THR A 51 3.853 11.277 -9.278 1.00 0.00 O ATOM 771 CG2 THR A 51 6.255 11.512 -9.112 1.00 0.00 C ATOM 0 H THR A 51 4.554 9.378 -8.015 1.00 0.00 H new ATOM 0 HA THR A 51 5.741 11.484 -6.507 1.00 0.00 H new ATOM 0 HB THR A 51 4.797 12.889 -8.388 1.00 0.00 H new ATOM 0 HG1 THR A 51 3.904 11.664 -10.177 1.00 0.00 H new ATOM 0 HG21 THR A 51 6.282 11.946 -10.112 1.00 0.00 H new ATOM 0 HG22 THR A 51 7.052 11.944 -8.507 1.00 0.00 H new ATOM 0 HG23 THR A 51 6.396 10.433 -9.180 1.00 0.00 H new ATOM 779 N GLU A 52 3.695 13.046 -5.965 1.00 0.00 N ATOM 780 CA GLU A 52 2.626 13.724 -5.237 1.00 0.00 C ATOM 781 C GLU A 52 1.281 13.523 -5.940 1.00 0.00 C ATOM 782 O GLU A 52 0.236 13.439 -5.300 1.00 0.00 O ATOM 783 CB GLU A 52 2.948 15.216 -5.129 1.00 0.00 C ATOM 784 CG GLU A 52 2.153 15.949 -4.062 1.00 0.00 C ATOM 785 CD GLU A 52 2.496 15.483 -2.659 1.00 0.00 C ATOM 786 OE1 GLU A 52 3.600 15.814 -2.175 1.00 0.00 O ATOM 787 OE2 GLU A 52 1.660 14.798 -2.036 1.00 0.00 O ATOM 0 H GLU A 52 4.497 13.641 -6.171 1.00 0.00 H new ATOM 0 HA GLU A 52 2.554 13.296 -4.237 1.00 0.00 H new ATOM 0 HB2 GLU A 52 4.011 15.332 -4.918 1.00 0.00 H new ATOM 0 HB3 GLU A 52 2.761 15.687 -6.094 1.00 0.00 H new ATOM 0 HG2 GLU A 52 2.343 17.019 -4.143 1.00 0.00 H new ATOM 0 HG3 GLU A 52 1.088 15.800 -4.241 1.00 0.00 H new ATOM 794 N LYS A 53 1.327 13.426 -7.263 1.00 0.00 N ATOM 795 CA LYS A 53 0.133 13.203 -8.065 1.00 0.00 C ATOM 796 C LYS A 53 -0.539 11.882 -7.699 1.00 0.00 C ATOM 797 O LYS A 53 -1.698 11.866 -7.298 1.00 0.00 O ATOM 798 CB LYS A 53 0.502 13.233 -9.556 1.00 0.00 C ATOM 799 CG LYS A 53 -0.653 12.948 -10.511 1.00 0.00 C ATOM 800 CD LYS A 53 -0.660 11.495 -10.978 1.00 0.00 C ATOM 801 CE LYS A 53 0.644 11.126 -11.671 1.00 0.00 C ATOM 802 NZ LYS A 53 0.628 9.735 -12.201 1.00 0.00 N ATOM 0 H LYS A 53 2.187 13.499 -7.806 1.00 0.00 H new ATOM 0 HA LYS A 53 -0.581 14.000 -7.858 1.00 0.00 H new ATOM 0 HB2 LYS A 53 0.916 14.213 -9.793 1.00 0.00 H new ATOM 0 HB3 LYS A 53 1.290 12.502 -9.735 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -1.597 13.175 -10.016 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -0.580 13.607 -11.376 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -0.818 10.838 -10.123 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -1.494 11.335 -11.661 1.00 0.00 H new ATOM 0 HE2 LYS A 53 0.828 11.822 -12.489 1.00 0.00 H new ATOM 0 HE3 LYS A 53 1.470 11.235 -10.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 1.594 9.349 -12.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 0.014 9.144 -11.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 0.265 9.739 -13.176 1.00 0.00 H new ATOM 816 N ASP A 54 0.199 10.781 -7.813 1.00 0.00 N ATOM 817 CA ASP A 54 -0.366 9.455 -7.555 1.00 0.00 C ATOM 818 C ASP A 54 -0.740 9.301 -6.095 1.00 0.00 C ATOM 819 O ASP A 54 -1.730 8.652 -5.757 1.00 0.00 O ATOM 820 CB ASP A 54 0.618 8.352 -7.945 1.00 0.00 C ATOM 821 CG ASP A 54 0.836 8.274 -9.436 1.00 0.00 C ATOM 822 OD1 ASP A 54 -0.134 8.010 -10.173 1.00 0.00 O ATOM 823 OD2 ASP A 54 1.983 8.469 -9.884 1.00 0.00 O ATOM 0 H ASP A 54 1.183 10.778 -8.080 1.00 0.00 H new ATOM 0 HA ASP A 54 -1.264 9.360 -8.166 1.00 0.00 H new ATOM 0 HB2 ASP A 54 1.573 8.530 -7.450 1.00 0.00 H new ATOM 0 HB3 ASP A 54 0.246 7.393 -7.585 1.00 0.00 H new ATOM 828 N VAL A 55 0.056 9.913 -5.243 1.00 0.00 N ATOM 829 CA VAL A 55 -0.169 9.878 -3.811 1.00 0.00 C ATOM 830 C VAL A 55 -1.513 10.502 -3.447 1.00 0.00 C ATOM 831 O VAL A 55 -2.210 10.027 -2.551 1.00 0.00 O ATOM 832 CB VAL A 55 0.968 10.608 -3.079 1.00 0.00 C ATOM 833 CG1 VAL A 55 0.666 10.759 -1.604 1.00 0.00 C ATOM 834 CG2 VAL A 55 2.277 9.870 -3.285 1.00 0.00 C ATOM 0 H VAL A 55 0.878 10.449 -5.523 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.185 8.834 -3.498 1.00 0.00 H new ATOM 0 HB VAL A 55 1.057 11.609 -3.500 1.00 0.00 H new ATOM 0 HG11 VAL A 55 1.490 11.279 -1.115 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -0.252 11.333 -1.477 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.542 9.773 -1.155 1.00 0.00 H new ATOM 0 HG21 VAL A 55 3.077 10.395 -2.763 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.190 8.857 -2.891 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.507 9.827 -4.350 1.00 0.00 H new ATOM 844 N ASN A 56 -1.881 11.560 -4.150 1.00 0.00 N ATOM 845 CA ASN A 56 -3.138 12.242 -3.882 1.00 0.00 C ATOM 846 C ASN A 56 -4.258 11.713 -4.769 1.00 0.00 C ATOM 847 O ASN A 56 -5.364 12.258 -4.786 1.00 0.00 O ATOM 848 CB ASN A 56 -2.973 13.753 -4.032 1.00 0.00 C ATOM 849 CG ASN A 56 -2.160 14.339 -2.891 1.00 0.00 C ATOM 850 OD1 ASN A 56 -2.703 14.717 -1.854 1.00 0.00 O ATOM 851 ND2 ASN A 56 -0.851 14.397 -3.067 1.00 0.00 N ATOM 0 H ASN A 56 -1.331 11.965 -4.908 1.00 0.00 H new ATOM 0 HA ASN A 56 -3.421 12.035 -2.850 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -2.484 13.974 -4.980 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -3.954 14.226 -4.062 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -0.253 14.765 -2.328 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -0.439 14.073 -3.942 1.00 0.00 H new ATOM 858 N ILE A 57 -3.966 10.651 -5.509 1.00 0.00 N ATOM 859 CA ILE A 57 -4.999 9.922 -6.228 1.00 0.00 C ATOM 860 C ILE A 57 -5.666 8.948 -5.269 1.00 0.00 C ATOM 861 O ILE A 57 -6.891 8.908 -5.154 1.00 0.00 O ATOM 862 CB ILE A 57 -4.432 9.145 -7.442 1.00 0.00 C ATOM 863 CG1 ILE A 57 -3.896 10.113 -8.500 1.00 0.00 C ATOM 864 CG2 ILE A 57 -5.493 8.229 -8.045 1.00 0.00 C ATOM 865 CD1 ILE A 57 -4.943 11.054 -9.057 1.00 0.00 C ATOM 0 H ILE A 57 -3.024 10.277 -5.626 1.00 0.00 H new ATOM 0 HA ILE A 57 -5.718 10.645 -6.613 1.00 0.00 H new ATOM 0 HB ILE A 57 -3.607 8.526 -7.091 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -3.088 10.701 -8.064 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -3.466 9.538 -9.320 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -5.071 7.694 -8.896 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -5.824 7.512 -7.294 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -6.343 8.826 -8.377 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -4.486 11.708 -9.800 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -5.741 10.476 -9.524 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -5.357 11.657 -8.249 1.00 0.00 H new ATOM 877 N GLY A 58 -4.838 8.181 -4.564 1.00 0.00 N ATOM 878 CA GLY A 58 -5.337 7.249 -3.575 1.00 0.00 C ATOM 879 C GLY A 58 -5.932 7.959 -2.377 1.00 0.00 C ATOM 880 O GLY A 58 -5.437 9.007 -1.961 1.00 0.00 O ATOM 0 H GLY A 58 -3.823 8.191 -4.664 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -6.093 6.608 -4.029 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -4.525 6.600 -3.246 1.00 0.00 H new ATOM 884 N GLU A 59 -6.987 7.392 -1.823 1.00 0.00 N ATOM 885 CA GLU A 59 -7.691 8.014 -0.711 1.00 0.00 C ATOM 886 C GLU A 59 -7.267 7.389 0.616 1.00 0.00 C ATOM 887 O GLU A 59 -7.265 8.056 1.653 1.00 0.00 O ATOM 888 CB GLU A 59 -9.205 7.912 -0.927 1.00 0.00 C ATOM 889 CG GLU A 59 -9.698 6.494 -1.166 1.00 0.00 C ATOM 890 CD GLU A 59 -11.084 6.454 -1.771 1.00 0.00 C ATOM 891 OE1 GLU A 59 -12.063 6.742 -1.050 1.00 0.00 O ATOM 892 OE2 GLU A 59 -11.207 6.117 -2.967 1.00 0.00 O ATOM 0 H GLU A 59 -7.378 6.499 -2.124 1.00 0.00 H new ATOM 0 HA GLU A 59 -7.426 9.070 -0.669 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -9.715 8.322 -0.055 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -9.483 8.532 -1.779 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -9.002 5.978 -1.827 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -9.702 5.951 -0.221 1.00 0.00 H new ATOM 899 N VAL A 60 -6.896 6.115 0.581 1.00 0.00 N ATOM 900 CA VAL A 60 -6.372 5.439 1.745 1.00 0.00 C ATOM 901 C VAL A 60 -5.009 4.829 1.416 1.00 0.00 C ATOM 902 O VAL A 60 -4.781 4.388 0.287 1.00 0.00 O ATOM 903 CB VAL A 60 -7.348 4.349 2.238 1.00 0.00 C ATOM 904 CG1 VAL A 60 -7.600 3.293 1.169 1.00 0.00 C ATOM 905 CG2 VAL A 60 -6.817 3.710 3.495 1.00 0.00 C ATOM 0 H VAL A 60 -6.952 5.531 -0.253 1.00 0.00 H new ATOM 0 HA VAL A 60 -6.254 6.167 2.547 1.00 0.00 H new ATOM 0 HB VAL A 60 -8.303 4.828 2.456 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -8.292 2.544 1.554 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -8.031 3.765 0.286 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -6.658 2.814 0.901 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -7.512 2.943 3.835 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -5.847 3.256 3.291 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.707 4.468 4.270 1.00 0.00 H new ATOM 915 N VAL A 61 -4.101 4.828 2.386 1.00 0.00 N ATOM 916 CA VAL A 61 -2.746 4.349 2.153 1.00 0.00 C ATOM 917 C VAL A 61 -2.480 3.063 2.924 1.00 0.00 C ATOM 918 O VAL A 61 -2.771 2.969 4.119 1.00 0.00 O ATOM 919 CB VAL A 61 -1.689 5.395 2.565 1.00 0.00 C ATOM 920 CG1 VAL A 61 -0.321 4.995 2.038 1.00 0.00 C ATOM 921 CG2 VAL A 61 -2.079 6.783 2.076 1.00 0.00 C ATOM 0 H VAL A 61 -4.279 5.152 3.337 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.665 4.163 1.082 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.641 5.429 3.653 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.416 5.741 2.335 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -0.042 4.025 2.450 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -0.354 4.932 0.950 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -1.318 7.503 2.379 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -2.160 6.776 0.989 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -3.038 7.065 2.510 1.00 0.00 H new ATOM 931 N ILE A 62 -1.923 2.076 2.239 1.00 0.00 N ATOM 932 CA ILE A 62 -1.552 0.820 2.870 1.00 0.00 C ATOM 933 C ILE A 62 -0.035 0.666 2.876 1.00 0.00 C ATOM 934 O ILE A 62 0.618 0.809 1.843 1.00 0.00 O ATOM 935 CB ILE A 62 -2.189 -0.394 2.152 1.00 0.00 C ATOM 936 CG1 ILE A 62 -3.717 -0.290 2.191 1.00 0.00 C ATOM 937 CG2 ILE A 62 -1.725 -1.701 2.787 1.00 0.00 C ATOM 938 CD1 ILE A 62 -4.424 -1.435 1.496 1.00 0.00 C ATOM 0 H ILE A 62 -1.717 2.122 1.241 1.00 0.00 H new ATOM 0 HA ILE A 62 -1.927 0.845 3.893 1.00 0.00 H new ATOM 0 HB ILE A 62 -1.865 -0.389 1.111 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -4.043 -0.251 3.230 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -4.020 0.648 1.726 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -2.185 -2.541 2.267 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -0.640 -1.777 2.712 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -2.018 -1.720 3.837 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -5.502 -1.292 1.565 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -4.128 -1.463 0.447 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -4.151 -2.375 1.975 1.00 0.00 H new ATOM 950 N PHE A 63 0.525 0.392 4.042 1.00 0.00 N ATOM 951 CA PHE A 63 1.956 0.179 4.163 1.00 0.00 C ATOM 952 C PHE A 63 2.257 -1.267 4.505 1.00 0.00 C ATOM 953 O PHE A 63 2.050 -1.701 5.637 1.00 0.00 O ATOM 954 CB PHE A 63 2.566 1.091 5.230 1.00 0.00 C ATOM 955 CG PHE A 63 2.746 2.512 4.788 1.00 0.00 C ATOM 956 CD1 PHE A 63 1.741 3.445 4.976 1.00 0.00 C ATOM 957 CD2 PHE A 63 3.930 2.915 4.193 1.00 0.00 C ATOM 958 CE1 PHE A 63 1.915 4.756 4.577 1.00 0.00 C ATOM 959 CE2 PHE A 63 4.107 4.222 3.793 1.00 0.00 C ATOM 960 CZ PHE A 63 3.101 5.143 3.983 1.00 0.00 C ATOM 0 H PHE A 63 0.010 0.312 4.919 1.00 0.00 H new ATOM 0 HA PHE A 63 2.402 0.422 3.199 1.00 0.00 H new ATOM 0 HB2 PHE A 63 1.929 1.074 6.114 1.00 0.00 H new ATOM 0 HB3 PHE A 63 3.534 0.688 5.527 1.00 0.00 H new ATOM 0 HD1 PHE A 63 0.812 3.145 5.439 1.00 0.00 H new ATOM 0 HD2 PHE A 63 4.723 2.198 4.041 1.00 0.00 H new ATOM 0 HE1 PHE A 63 1.126 5.477 4.729 1.00 0.00 H new ATOM 0 HE2 PHE A 63 5.035 4.524 3.330 1.00 0.00 H new ATOM 0 HZ PHE A 63 3.239 6.167 3.668 1.00 0.00 H new ATOM 970 N ALA A 64 2.720 -2.017 3.520 1.00 0.00 N ATOM 971 CA ALA A 64 3.224 -3.351 3.764 1.00 0.00 C ATOM 972 C ALA A 64 4.732 -3.274 3.889 1.00 0.00 C ATOM 973 O ALA A 64 5.460 -3.372 2.899 1.00 0.00 O ATOM 974 CB ALA A 64 2.818 -4.300 2.647 1.00 0.00 C ATOM 0 H ALA A 64 2.756 -1.722 2.544 1.00 0.00 H new ATOM 0 HA ALA A 64 2.797 -3.743 4.687 1.00 0.00 H new ATOM 0 HB1 ALA A 64 3.210 -5.296 2.855 1.00 0.00 H new ATOM 0 HB2 ALA A 64 1.731 -4.344 2.584 1.00 0.00 H new ATOM 0 HB3 ALA A 64 3.222 -3.942 1.700 1.00 0.00 H new ATOM 980 N VAL A 65 5.203 -3.069 5.106 1.00 0.00 N ATOM 981 CA VAL A 65 6.602 -2.766 5.328 1.00 0.00 C ATOM 982 C VAL A 65 7.166 -3.547 6.504 1.00 0.00 C ATOM 983 O VAL A 65 6.451 -3.895 7.443 1.00 0.00 O ATOM 984 CB VAL A 65 6.825 -1.253 5.572 1.00 0.00 C ATOM 985 CG1 VAL A 65 6.462 -0.440 4.337 1.00 0.00 C ATOM 986 CG2 VAL A 65 6.024 -0.772 6.777 1.00 0.00 C ATOM 0 H VAL A 65 4.637 -3.107 5.954 1.00 0.00 H new ATOM 0 HA VAL A 65 7.128 -3.062 4.420 1.00 0.00 H new ATOM 0 HB VAL A 65 7.885 -1.104 5.780 1.00 0.00 H new ATOM 0 HG11 VAL A 65 6.628 0.619 4.537 1.00 0.00 H new ATOM 0 HG12 VAL A 65 7.085 -0.753 3.499 1.00 0.00 H new ATOM 0 HG13 VAL A 65 5.413 -0.602 4.090 1.00 0.00 H new ATOM 0 HG21 VAL A 65 6.198 0.294 6.927 1.00 0.00 H new ATOM 0 HG22 VAL A 65 4.962 -0.945 6.601 1.00 0.00 H new ATOM 0 HG23 VAL A 65 6.339 -1.320 7.665 1.00 0.00 H new ATOM 996 N ASP A 66 8.451 -3.842 6.425 1.00 0.00 N ATOM 997 CA ASP A 66 9.171 -4.463 7.525 1.00 0.00 C ATOM 998 C ASP A 66 10.252 -3.500 8.010 1.00 0.00 C ATOM 999 O ASP A 66 11.058 -3.815 8.886 1.00 0.00 O ATOM 1000 CB ASP A 66 9.787 -5.790 7.069 1.00 0.00 C ATOM 1001 CG ASP A 66 10.240 -6.665 8.222 1.00 0.00 C ATOM 1002 OD1 ASP A 66 9.381 -7.334 8.835 1.00 0.00 O ATOM 1003 OD2 ASP A 66 11.455 -6.713 8.505 1.00 0.00 O ATOM 0 H ASP A 66 9.024 -3.659 5.601 1.00 0.00 H new ATOM 0 HA ASP A 66 8.486 -4.677 8.346 1.00 0.00 H new ATOM 0 HB2 ASP A 66 9.057 -6.336 6.472 1.00 0.00 H new ATOM 0 HB3 ASP A 66 10.639 -5.584 6.421 1.00 0.00 H new ATOM 1008 N THR A 67 10.236 -2.307 7.431 1.00 0.00 N ATOM 1009 CA THR A 67 11.206 -1.274 7.745 1.00 0.00 C ATOM 1010 C THR A 67 10.607 0.097 7.415 1.00 0.00 C ATOM 1011 O THR A 67 9.420 0.192 7.100 1.00 0.00 O ATOM 1012 CB THR A 67 12.528 -1.489 6.964 1.00 0.00 C ATOM 1013 OG1 THR A 67 13.540 -0.591 7.435 1.00 0.00 O ATOM 1014 CG2 THR A 67 12.320 -1.296 5.469 1.00 0.00 C ATOM 0 H THR A 67 9.548 -2.031 6.730 1.00 0.00 H new ATOM 0 HA THR A 67 11.441 -1.325 8.808 1.00 0.00 H new ATOM 0 HB THR A 67 12.853 -2.515 7.136 1.00 0.00 H new ATOM 0 HG1 THR A 67 14.369 -0.740 6.934 1.00 0.00 H new ATOM 0 HG21 THR A 67 13.264 -1.453 4.947 1.00 0.00 H new ATOM 0 HG22 THR A 67 11.582 -2.013 5.109 1.00 0.00 H new ATOM 0 HG23 THR A 67 11.964 -0.283 5.279 1.00 0.00 H new ATOM 1022 N LYS A 68 11.419 1.144 7.481 1.00 0.00 N ATOM 1023 CA LYS A 68 10.948 2.499 7.214 1.00 0.00 C ATOM 1024 C LYS A 68 11.017 2.807 5.722 1.00 0.00 C ATOM 1025 O LYS A 68 11.643 2.076 4.953 1.00 0.00 O ATOM 1026 CB LYS A 68 11.793 3.522 7.976 1.00 0.00 C ATOM 1027 CG LYS A 68 13.232 3.576 7.497 1.00 0.00 C ATOM 1028 CD LYS A 68 14.022 4.670 8.194 1.00 0.00 C ATOM 1029 CE LYS A 68 15.485 4.630 7.784 1.00 0.00 C ATOM 1030 NZ LYS A 68 16.173 3.407 8.282 1.00 0.00 N ATOM 0 H LYS A 68 12.409 1.082 7.718 1.00 0.00 H new ATOM 0 HA LYS A 68 9.913 2.564 7.549 1.00 0.00 H new ATOM 0 HB2 LYS A 68 11.343 4.509 7.869 1.00 0.00 H new ATOM 0 HB3 LYS A 68 11.778 3.278 9.038 1.00 0.00 H new ATOM 0 HG2 LYS A 68 13.710 2.613 7.676 1.00 0.00 H new ATOM 0 HG3 LYS A 68 13.250 3.745 6.420 1.00 0.00 H new ATOM 0 HD2 LYS A 68 13.598 5.643 7.947 1.00 0.00 H new ATOM 0 HD3 LYS A 68 13.940 4.551 9.274 1.00 0.00 H new ATOM 0 HE2 LYS A 68 15.558 4.669 6.697 1.00 0.00 H new ATOM 0 HE3 LYS A 68 15.993 5.514 8.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 17.202 3.526 8.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 15.929 3.254 9.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 15.869 2.585 7.722 1.00 0.00 H new ATOM 1044 N VAL A 69 10.386 3.904 5.325 1.00 0.00 N ATOM 1045 CA VAL A 69 10.428 4.363 3.945 1.00 0.00 C ATOM 1046 C VAL A 69 10.635 5.874 3.906 1.00 0.00 C ATOM 1047 O VAL A 69 10.559 6.546 4.936 1.00 0.00 O ATOM 1048 CB VAL A 69 9.148 4.003 3.152 1.00 0.00 C ATOM 1049 CG1 VAL A 69 8.897 2.508 3.159 1.00 0.00 C ATOM 1050 CG2 VAL A 69 7.942 4.745 3.690 1.00 0.00 C ATOM 0 H VAL A 69 9.835 4.496 5.946 1.00 0.00 H new ATOM 0 HA VAL A 69 11.263 3.850 3.469 1.00 0.00 H new ATOM 0 HB VAL A 69 9.308 4.315 2.120 1.00 0.00 H new ATOM 0 HG11 VAL A 69 7.991 2.288 2.594 1.00 0.00 H new ATOM 0 HG12 VAL A 69 9.743 1.995 2.702 1.00 0.00 H new ATOM 0 HG13 VAL A 69 8.776 2.164 4.186 1.00 0.00 H new ATOM 0 HG21 VAL A 69 7.059 4.471 3.113 1.00 0.00 H new ATOM 0 HG22 VAL A 69 7.788 4.480 4.736 1.00 0.00 H new ATOM 0 HG23 VAL A 69 8.110 5.819 3.609 1.00 0.00 H new ATOM 1060 N ARG A 70 10.886 6.398 2.717 1.00 0.00 N ATOM 1061 CA ARG A 70 11.197 7.809 2.531 1.00 0.00 C ATOM 1062 C ARG A 70 9.942 8.602 2.190 1.00 0.00 C ATOM 1063 O ARG A 70 9.647 9.628 2.803 1.00 0.00 O ATOM 1064 CB ARG A 70 12.227 7.968 1.409 1.00 0.00 C ATOM 1065 CG ARG A 70 12.650 9.404 1.164 1.00 0.00 C ATOM 1066 CD ARG A 70 13.546 9.519 -0.057 1.00 0.00 C ATOM 1067 NE ARG A 70 14.063 10.876 -0.225 1.00 0.00 N ATOM 1068 CZ ARG A 70 14.535 11.362 -1.374 1.00 0.00 C ATOM 1069 NH1 ARG A 70 14.496 10.631 -2.484 1.00 0.00 N ATOM 1070 NH2 ARG A 70 15.034 12.591 -1.415 1.00 0.00 N ATOM 0 H ARG A 70 10.880 5.858 1.852 1.00 0.00 H new ATOM 0 HA ARG A 70 11.607 8.196 3.464 1.00 0.00 H new ATOM 0 HB2 ARG A 70 13.109 7.376 1.652 1.00 0.00 H new ATOM 0 HB3 ARG A 70 11.812 7.559 0.488 1.00 0.00 H new ATOM 0 HG2 ARG A 70 11.766 10.027 1.028 1.00 0.00 H new ATOM 0 HG3 ARG A 70 13.176 9.784 2.040 1.00 0.00 H new ATOM 0 HD2 ARG A 70 14.379 8.822 0.036 1.00 0.00 H new ATOM 0 HD3 ARG A 70 12.987 9.230 -0.947 1.00 0.00 H new ATOM 0 HE ARG A 70 14.063 11.491 0.589 1.00 0.00 H new ATOM 0 HH11 ARG A 70 14.103 9.690 -2.461 1.00 0.00 H new ATOM 0 HH12 ARG A 70 14.859 11.011 -3.358 1.00 0.00 H new ATOM 0 HH21 ARG A 70 15.056 13.161 -0.569 1.00 0.00 H new ATOM 0 HH22 ARG A 70 15.396 12.966 -2.292 1.00 0.00 H new ATOM 1084 N ASN A 71 9.191 8.097 1.221 1.00 0.00 N ATOM 1085 CA ASN A 71 8.059 8.826 0.655 1.00 0.00 C ATOM 1086 C ASN A 71 6.859 8.849 1.594 1.00 0.00 C ATOM 1087 O ASN A 71 5.868 9.518 1.313 1.00 0.00 O ATOM 1088 CB ASN A 71 7.660 8.262 -0.712 1.00 0.00 C ATOM 1089 CG ASN A 71 8.725 8.504 -1.767 1.00 0.00 C ATOM 1090 OD1 ASN A 71 8.731 7.690 -2.806 1.00 0.00 O flip ATOM 1091 ND2 ASN A 71 9.521 9.438 -1.662 1.00 0.00 N flip ATOM 0 H ASN A 71 9.345 7.178 0.806 1.00 0.00 H new ATOM 0 HA ASN A 71 8.389 9.856 0.521 1.00 0.00 H new ATOM 0 HB2 ASN A 71 7.477 7.191 -0.622 1.00 0.00 H new ATOM 0 HB3 ASN A 71 6.724 8.719 -1.032 1.00 0.00 H new ATOM 0 HD21 ASN A 71 9.487 10.047 -0.845 1.00 0.00 H new ATOM 0 HD22 ASN A 71 10.214 9.602 -2.392 1.00 0.00 H new ATOM 1098 N LYS A 72 6.961 8.126 2.709 1.00 0.00 N ATOM 1099 CA LYS A 72 5.888 8.050 3.711 1.00 0.00 C ATOM 1100 C LYS A 72 5.301 9.421 4.043 1.00 0.00 C ATOM 1101 O LYS A 72 4.109 9.541 4.317 1.00 0.00 O ATOM 1102 CB LYS A 72 6.427 7.410 4.996 1.00 0.00 C ATOM 1103 CG LYS A 72 5.452 7.433 6.163 1.00 0.00 C ATOM 1104 CD LYS A 72 6.011 6.705 7.378 1.00 0.00 C ATOM 1105 CE LYS A 72 7.280 7.357 7.912 1.00 0.00 C ATOM 1106 NZ LYS A 72 7.044 8.747 8.388 1.00 0.00 N ATOM 0 H LYS A 72 7.786 7.576 2.947 1.00 0.00 H new ATOM 0 HA LYS A 72 5.091 7.442 3.284 1.00 0.00 H new ATOM 0 HB2 LYS A 72 6.700 6.376 4.786 1.00 0.00 H new ATOM 0 HB3 LYS A 72 7.340 7.927 5.290 1.00 0.00 H new ATOM 0 HG2 LYS A 72 5.227 8.466 6.429 1.00 0.00 H new ATOM 0 HG3 LYS A 72 4.512 6.970 5.862 1.00 0.00 H new ATOM 0 HD2 LYS A 72 5.257 6.685 8.165 1.00 0.00 H new ATOM 0 HD3 LYS A 72 6.222 5.669 7.112 1.00 0.00 H new ATOM 0 HE2 LYS A 72 7.677 6.757 8.731 1.00 0.00 H new ATOM 0 HE3 LYS A 72 8.038 7.367 7.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 7.516 8.885 9.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 7.429 9.421 7.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 6.022 8.908 8.497 1.00 0.00 H new ATOM 1120 N GLU A 73 6.134 10.447 3.979 1.00 0.00 N ATOM 1121 CA GLU A 73 5.744 11.790 4.409 1.00 0.00 C ATOM 1122 C GLU A 73 4.535 12.344 3.646 1.00 0.00 C ATOM 1123 O GLU A 73 3.806 13.183 4.173 1.00 0.00 O ATOM 1124 CB GLU A 73 6.931 12.746 4.288 1.00 0.00 C ATOM 1125 CG GLU A 73 8.144 12.291 5.082 1.00 0.00 C ATOM 1126 CD GLU A 73 7.788 11.903 6.505 1.00 0.00 C ATOM 1127 OE1 GLU A 73 7.371 10.748 6.721 1.00 0.00 O ATOM 1128 OE2 GLU A 73 7.906 12.754 7.413 1.00 0.00 O ATOM 0 H GLU A 73 7.091 10.380 3.632 1.00 0.00 H new ATOM 0 HA GLU A 73 5.439 11.708 5.452 1.00 0.00 H new ATOM 0 HB2 GLU A 73 7.207 12.843 3.238 1.00 0.00 H new ATOM 0 HB3 GLU A 73 6.630 13.736 4.631 1.00 0.00 H new ATOM 0 HG2 GLU A 73 8.606 11.440 4.580 1.00 0.00 H new ATOM 0 HG3 GLU A 73 8.884 13.091 5.100 1.00 0.00 H new ATOM 1135 N ARG A 74 4.308 11.884 2.419 1.00 0.00 N ATOM 1136 CA ARG A 74 3.175 12.367 1.637 1.00 0.00 C ATOM 1137 C ARG A 74 1.920 11.529 1.892 1.00 0.00 C ATOM 1138 O ARG A 74 0.810 11.946 1.571 1.00 0.00 O ATOM 1139 CB ARG A 74 3.539 12.357 0.158 1.00 0.00 C ATOM 1140 CG ARG A 74 3.928 10.985 -0.351 1.00 0.00 C ATOM 1141 CD ARG A 74 4.940 11.083 -1.474 1.00 0.00 C ATOM 1142 NE ARG A 74 6.185 11.716 -1.042 1.00 0.00 N ATOM 1143 CZ ARG A 74 7.232 11.912 -1.843 1.00 0.00 C ATOM 1144 NH1 ARG A 74 7.220 11.434 -3.083 1.00 0.00 N ATOM 1145 NH2 ARG A 74 8.296 12.573 -1.402 1.00 0.00 N ATOM 0 H ARG A 74 4.885 11.186 1.950 1.00 0.00 H new ATOM 0 HA ARG A 74 2.950 13.388 1.946 1.00 0.00 H new ATOM 0 HB2 ARG A 74 2.692 12.725 -0.421 1.00 0.00 H new ATOM 0 HB3 ARG A 74 4.365 13.048 -0.011 1.00 0.00 H new ATOM 0 HG2 ARG A 74 4.344 10.396 0.466 1.00 0.00 H new ATOM 0 HG3 ARG A 74 3.040 10.460 -0.703 1.00 0.00 H new ATOM 0 HD2 ARG A 74 5.155 10.085 -1.855 1.00 0.00 H new ATOM 0 HD3 ARG A 74 4.511 11.653 -2.298 1.00 0.00 H new ATOM 0 HE ARG A 74 6.256 12.025 -0.073 1.00 0.00 H new ATOM 0 HH11 ARG A 74 6.409 10.917 -3.422 1.00 0.00 H new ATOM 0 HH12 ARG A 74 8.022 11.584 -3.695 1.00 0.00 H new ATOM 0 HH21 ARG A 74 8.314 12.932 -0.448 1.00 0.00 H new ATOM 0 HH22 ARG A 74 9.096 12.721 -2.018 1.00 0.00 H new ATOM 1159 N PHE A 75 2.101 10.351 2.477 1.00 0.00 N ATOM 1160 CA PHE A 75 0.990 9.468 2.793 1.00 0.00 C ATOM 1161 C PHE A 75 0.556 9.661 4.242 1.00 0.00 C ATOM 1162 O PHE A 75 -0.556 9.298 4.629 1.00 0.00 O ATOM 1163 CB PHE A 75 1.411 8.012 2.602 1.00 0.00 C ATOM 1164 CG PHE A 75 2.043 7.706 1.273 1.00 0.00 C ATOM 1165 CD1 PHE A 75 1.273 7.585 0.132 1.00 0.00 C ATOM 1166 CD2 PHE A 75 3.412 7.523 1.177 1.00 0.00 C ATOM 1167 CE1 PHE A 75 1.859 7.290 -1.085 1.00 0.00 C ATOM 1168 CE2 PHE A 75 4.003 7.227 -0.034 1.00 0.00 C ATOM 1169 CZ PHE A 75 3.225 7.112 -1.168 1.00 0.00 C ATOM 0 H PHE A 75 3.015 9.985 2.743 1.00 0.00 H new ATOM 0 HA PHE A 75 0.162 9.708 2.126 1.00 0.00 H new ATOM 0 HB2 PHE A 75 2.113 7.745 3.392 1.00 0.00 H new ATOM 0 HB3 PHE A 75 0.535 7.376 2.726 1.00 0.00 H new ATOM 0 HD1 PHE A 75 0.203 7.722 0.191 1.00 0.00 H new ATOM 0 HD2 PHE A 75 4.025 7.613 2.061 1.00 0.00 H new ATOM 0 HE1 PHE A 75 1.248 7.199 -1.971 1.00 0.00 H new ATOM 0 HE2 PHE A 75 5.072 7.086 -0.094 1.00 0.00 H new ATOM 0 HZ PHE A 75 3.684 6.883 -2.118 1.00 0.00 H new ATOM 1179 N ASP A 76 1.454 10.248 5.021 1.00 0.00 N ATOM 1180 CA ASP A 76 1.313 10.342 6.474 1.00 0.00 C ATOM 1181 C ASP A 76 0.042 11.069 6.896 1.00 0.00 C ATOM 1182 O ASP A 76 -0.699 10.587 7.754 1.00 0.00 O ATOM 1183 CB ASP A 76 2.530 11.051 7.071 1.00 0.00 C ATOM 1184 CG ASP A 76 2.411 11.250 8.568 1.00 0.00 C ATOM 1185 OD1 ASP A 76 2.702 10.304 9.323 1.00 0.00 O ATOM 1186 OD2 ASP A 76 2.027 12.357 8.998 1.00 0.00 O ATOM 0 H ASP A 76 2.308 10.676 4.664 1.00 0.00 H new ATOM 0 HA ASP A 76 1.246 9.322 6.853 1.00 0.00 H new ATOM 0 HB2 ASP A 76 3.427 10.470 6.855 1.00 0.00 H new ATOM 0 HB3 ASP A 76 2.655 12.020 6.588 1.00 0.00 H new ATOM 1191 N GLY A 77 -0.216 12.216 6.287 1.00 0.00 N ATOM 1192 CA GLY A 77 -1.345 13.032 6.690 1.00 0.00 C ATOM 1193 C GLY A 77 -2.647 12.604 6.045 1.00 0.00 C ATOM 1194 O GLY A 77 -3.541 13.424 5.829 1.00 0.00 O ATOM 0 H GLY A 77 0.336 12.598 5.519 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -1.451 12.986 7.774 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -1.144 14.072 6.434 1.00 0.00 H new ATOM 1198 N LYS A 78 -2.757 11.323 5.734 1.00 0.00 N ATOM 1199 CA LYS A 78 -3.975 10.781 5.157 1.00 0.00 C ATOM 1200 C LYS A 78 -4.514 9.668 6.040 1.00 0.00 C ATOM 1201 O LYS A 78 -5.047 9.917 7.123 1.00 0.00 O ATOM 1202 CB LYS A 78 -3.718 10.240 3.747 1.00 0.00 C ATOM 1203 CG LYS A 78 -3.186 11.269 2.771 1.00 0.00 C ATOM 1204 CD LYS A 78 -2.696 10.601 1.500 1.00 0.00 C ATOM 1205 CE LYS A 78 -2.105 11.606 0.534 1.00 0.00 C ATOM 1206 NZ LYS A 78 -3.127 12.546 -0.004 1.00 0.00 N ATOM 0 H LYS A 78 -2.015 10.637 5.872 1.00 0.00 H new ATOM 0 HA LYS A 78 -4.709 11.584 5.092 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -3.008 9.416 3.811 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -4.648 9.830 3.353 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -3.969 11.988 2.531 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -2.371 11.827 3.232 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -1.946 9.850 1.749 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -3.524 10.078 1.021 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -1.323 12.174 1.038 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -1.632 11.076 -0.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -2.665 13.245 -0.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -3.833 12.014 -0.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -3.597 13.036 0.784 1.00 0.00 H new ATOM 1220 N VAL A 79 -4.342 8.440 5.580 1.00 0.00 N ATOM 1221 CA VAL A 79 -4.790 7.263 6.307 1.00 0.00 C ATOM 1222 C VAL A 79 -3.726 6.188 6.203 1.00 0.00 C ATOM 1223 O VAL A 79 -3.447 5.699 5.111 1.00 0.00 O ATOM 1224 CB VAL A 79 -6.118 6.708 5.745 1.00 0.00 C ATOM 1225 CG1 VAL A 79 -6.627 5.562 6.607 1.00 0.00 C ATOM 1226 CG2 VAL A 79 -7.167 7.804 5.634 1.00 0.00 C ATOM 0 H VAL A 79 -3.887 8.230 4.691 1.00 0.00 H new ATOM 0 HA VAL A 79 -4.957 7.551 7.345 1.00 0.00 H new ATOM 0 HB VAL A 79 -5.925 6.326 4.742 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -7.563 5.185 6.195 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -5.888 4.761 6.621 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -6.795 5.918 7.623 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -8.091 7.384 5.236 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -7.356 8.228 6.620 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -6.806 8.586 4.966 1.00 0.00 H new ATOM 1236 N VAL A 80 -3.129 5.828 7.326 1.00 0.00 N ATOM 1237 CA VAL A 80 -2.008 4.902 7.319 1.00 0.00 C ATOM 1238 C VAL A 80 -2.388 3.552 7.920 1.00 0.00 C ATOM 1239 O VAL A 80 -2.523 3.413 9.135 1.00 0.00 O ATOM 1240 CB VAL A 80 -0.799 5.478 8.087 1.00 0.00 C ATOM 1241 CG1 VAL A 80 0.374 4.505 8.060 1.00 0.00 C ATOM 1242 CG2 VAL A 80 -0.387 6.826 7.507 1.00 0.00 C ATOM 0 H VAL A 80 -3.400 6.161 8.251 1.00 0.00 H new ATOM 0 HA VAL A 80 -1.732 4.756 6.275 1.00 0.00 H new ATOM 0 HB VAL A 80 -1.097 5.625 9.125 1.00 0.00 H new ATOM 0 HG11 VAL A 80 1.214 4.933 8.607 1.00 0.00 H new ATOM 0 HG12 VAL A 80 0.078 3.565 8.526 1.00 0.00 H new ATOM 0 HG13 VAL A 80 0.670 4.321 7.027 1.00 0.00 H new ATOM 0 HG21 VAL A 80 0.467 7.215 8.062 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -0.113 6.703 6.459 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.220 7.525 7.585 1.00 0.00 H new ATOM 1252 N LEU A 81 -2.567 2.564 7.059 1.00 0.00 N ATOM 1253 CA LEU A 81 -2.764 1.193 7.499 1.00 0.00 C ATOM 1254 C LEU A 81 -1.437 0.452 7.356 1.00 0.00 C ATOM 1255 O LEU A 81 -1.044 0.074 6.253 1.00 0.00 O ATOM 1256 CB LEU A 81 -3.876 0.527 6.668 1.00 0.00 C ATOM 1257 CG LEU A 81 -4.483 -0.766 7.242 1.00 0.00 C ATOM 1258 CD1 LEU A 81 -3.527 -1.942 7.106 1.00 0.00 C ATOM 1259 CD2 LEU A 81 -4.879 -0.570 8.698 1.00 0.00 C ATOM 0 H LEU A 81 -2.580 2.687 6.047 1.00 0.00 H new ATOM 0 HA LEU A 81 -3.079 1.165 8.542 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -4.680 1.250 6.533 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -3.476 0.306 5.678 1.00 0.00 H new ATOM 0 HG LEU A 81 -5.377 -0.996 6.662 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -3.990 -2.837 7.522 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -3.300 -2.107 6.053 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -2.605 -1.726 7.646 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -5.306 -1.495 9.087 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -3.998 -0.304 9.282 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -5.617 0.229 8.770 1.00 0.00 H new ATOM 1271 N GLU A 82 -0.735 0.283 8.469 1.00 0.00 N ATOM 1272 CA GLU A 82 0.602 -0.293 8.447 1.00 0.00 C ATOM 1273 C GLU A 82 0.587 -1.738 8.936 1.00 0.00 C ATOM 1274 O GLU A 82 0.116 -2.028 10.038 1.00 0.00 O ATOM 1275 CB GLU A 82 1.546 0.547 9.309 1.00 0.00 C ATOM 1276 CG GLU A 82 3.008 0.151 9.183 1.00 0.00 C ATOM 1277 CD GLU A 82 3.917 1.038 10.005 1.00 0.00 C ATOM 1278 OE1 GLU A 82 4.100 2.217 9.629 1.00 0.00 O ATOM 1279 OE2 GLU A 82 4.441 0.573 11.038 1.00 0.00 O ATOM 0 H GLU A 82 -1.070 0.537 9.398 1.00 0.00 H new ATOM 0 HA GLU A 82 0.958 -0.290 7.417 1.00 0.00 H new ATOM 0 HB2 GLU A 82 1.438 1.596 9.033 1.00 0.00 H new ATOM 0 HB3 GLU A 82 1.244 0.460 10.353 1.00 0.00 H new ATOM 0 HG2 GLU A 82 3.130 -0.884 9.501 1.00 0.00 H new ATOM 0 HG3 GLU A 82 3.306 0.200 8.136 1.00 0.00 H new ATOM 1286 N VAL A 83 1.094 -2.637 8.101 1.00 0.00 N ATOM 1287 CA VAL A 83 1.189 -4.054 8.436 1.00 0.00 C ATOM 1288 C VAL A 83 2.509 -4.626 7.923 1.00 0.00 C ATOM 1289 O VAL A 83 3.127 -4.056 7.021 1.00 0.00 O ATOM 1290 CB VAL A 83 0.022 -4.871 7.828 1.00 0.00 C ATOM 1291 CG1 VAL A 83 -1.301 -4.521 8.493 1.00 0.00 C ATOM 1292 CG2 VAL A 83 -0.063 -4.653 6.323 1.00 0.00 C ATOM 0 H VAL A 83 1.451 -2.406 7.174 1.00 0.00 H new ATOM 0 HA VAL A 83 1.137 -4.132 9.522 1.00 0.00 H new ATOM 0 HB VAL A 83 0.223 -5.926 8.014 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -2.101 -5.111 8.045 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -1.242 -4.741 9.559 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -1.510 -3.460 8.352 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -0.889 -5.236 5.917 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -0.230 -3.596 6.117 1.00 0.00 H new ATOM 0 HG23 VAL A 83 0.869 -4.971 5.856 1.00 0.00 H new ATOM 1302 N PRO A 84 2.969 -5.748 8.497 1.00 0.00 N ATOM 1303 CA PRO A 84 4.169 -6.437 8.019 1.00 0.00 C ATOM 1304 C PRO A 84 4.023 -6.859 6.561 1.00 0.00 C ATOM 1305 O PRO A 84 2.937 -7.244 6.125 1.00 0.00 O ATOM 1306 CB PRO A 84 4.272 -7.666 8.926 1.00 0.00 C ATOM 1307 CG PRO A 84 3.482 -7.314 10.137 1.00 0.00 C ATOM 1308 CD PRO A 84 2.371 -6.426 9.658 1.00 0.00 C ATOM 0 HA PRO A 84 5.054 -5.802 8.058 1.00 0.00 H new ATOM 0 HB2 PRO A 84 3.871 -8.553 8.436 1.00 0.00 H new ATOM 0 HB3 PRO A 84 5.309 -7.884 9.180 1.00 0.00 H new ATOM 0 HG2 PRO A 84 3.087 -8.208 10.620 1.00 0.00 H new ATOM 0 HG3 PRO A 84 4.102 -6.802 10.873 1.00 0.00 H new ATOM 0 HD2 PRO A 84 1.487 -7.000 9.380 1.00 0.00 H new ATOM 0 HD3 PRO A 84 2.062 -5.716 10.425 1.00 0.00 H new ATOM 1316 N VAL A 85 5.122 -6.800 5.819 1.00 0.00 N ATOM 1317 CA VAL A 85 5.106 -7.079 4.383 1.00 0.00 C ATOM 1318 C VAL A 85 4.704 -8.534 4.095 1.00 0.00 C ATOM 1319 O VAL A 85 4.257 -8.864 2.997 1.00 0.00 O ATOM 1320 CB VAL A 85 6.488 -6.767 3.755 1.00 0.00 C ATOM 1321 CG1 VAL A 85 7.546 -7.749 4.235 1.00 0.00 C ATOM 1322 CG2 VAL A 85 6.414 -6.754 2.237 1.00 0.00 C ATOM 0 H VAL A 85 6.042 -6.560 6.188 1.00 0.00 H new ATOM 0 HA VAL A 85 4.357 -6.431 3.929 1.00 0.00 H new ATOM 0 HB VAL A 85 6.779 -5.770 4.086 1.00 0.00 H new ATOM 0 HG11 VAL A 85 8.504 -7.504 3.777 1.00 0.00 H new ATOM 0 HG12 VAL A 85 7.635 -7.686 5.319 1.00 0.00 H new ATOM 0 HG13 VAL A 85 7.257 -8.762 3.953 1.00 0.00 H new ATOM 0 HG21 VAL A 85 7.399 -6.532 1.827 1.00 0.00 H new ATOM 0 HG22 VAL A 85 6.084 -7.730 1.880 1.00 0.00 H new ATOM 0 HG23 VAL A 85 5.706 -5.991 1.914 1.00 0.00 H new ATOM 1332 N SER A 86 4.847 -9.389 5.097 1.00 0.00 N ATOM 1333 CA SER A 86 4.509 -10.802 4.969 1.00 0.00 C ATOM 1334 C SER A 86 2.993 -11.036 4.955 1.00 0.00 C ATOM 1335 O SER A 86 2.512 -12.000 4.361 1.00 0.00 O ATOM 1336 CB SER A 86 5.146 -11.568 6.125 1.00 0.00 C ATOM 1337 OG SER A 86 4.943 -10.887 7.353 1.00 0.00 O ATOM 0 H SER A 86 5.199 -9.126 6.018 1.00 0.00 H new ATOM 0 HA SER A 86 4.896 -11.161 4.015 1.00 0.00 H new ATOM 0 HB2 SER A 86 4.718 -12.569 6.184 1.00 0.00 H new ATOM 0 HB3 SER A 86 6.214 -11.688 5.943 1.00 0.00 H new ATOM 0 HG SER A 86 5.709 -10.303 7.533 1.00 0.00 H new ATOM 1343 N ALA A 87 2.250 -10.142 5.597 1.00 0.00 N ATOM 1344 CA ALA A 87 0.812 -10.331 5.798 1.00 0.00 C ATOM 1345 C ALA A 87 0.000 -10.257 4.493 1.00 0.00 C ATOM 1346 O ALA A 87 -0.771 -11.174 4.198 1.00 0.00 O ATOM 1347 CB ALA A 87 0.281 -9.328 6.817 1.00 0.00 C ATOM 0 H ALA A 87 2.618 -9.275 5.990 1.00 0.00 H new ATOM 0 HA ALA A 87 0.683 -11.343 6.183 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -0.789 -9.482 6.955 1.00 0.00 H new ATOM 0 HB2 ALA A 87 0.794 -9.470 7.768 1.00 0.00 H new ATOM 0 HB3 ALA A 87 0.459 -8.315 6.457 1.00 0.00 H new ATOM 1353 N PRO A 88 0.152 -9.181 3.682 1.00 0.00 N ATOM 1354 CA PRO A 88 -0.655 -8.985 2.468 1.00 0.00 C ATOM 1355 C PRO A 88 -0.343 -9.990 1.362 1.00 0.00 C ATOM 1356 O PRO A 88 -0.922 -9.927 0.281 1.00 0.00 O ATOM 1357 CB PRO A 88 -0.295 -7.566 2.006 1.00 0.00 C ATOM 1358 CG PRO A 88 0.414 -6.944 3.158 1.00 0.00 C ATOM 1359 CD PRO A 88 1.097 -8.070 3.866 1.00 0.00 C ATOM 0 HA PRO A 88 -1.714 -9.127 2.683 1.00 0.00 H new ATOM 0 HB2 PRO A 88 0.340 -7.590 1.120 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -1.188 -7.000 1.742 1.00 0.00 H new ATOM 0 HG2 PRO A 88 1.135 -6.200 2.819 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -0.286 -6.432 3.819 1.00 0.00 H new ATOM 0 HD2 PRO A 88 2.072 -8.290 3.432 1.00 0.00 H new ATOM 0 HD3 PRO A 88 1.261 -7.847 4.920 1.00 0.00 H new ATOM 1367 N ILE A 89 0.572 -10.907 1.630 1.00 0.00 N ATOM 1368 CA ILE A 89 0.906 -11.943 0.668 1.00 0.00 C ATOM 1369 C ILE A 89 -0.254 -12.928 0.534 1.00 0.00 C ATOM 1370 O ILE A 89 -0.685 -13.254 -0.571 1.00 0.00 O ATOM 1371 CB ILE A 89 2.197 -12.685 1.071 1.00 0.00 C ATOM 1372 CG1 ILE A 89 3.379 -11.707 1.064 1.00 0.00 C ATOM 1373 CG2 ILE A 89 2.457 -13.866 0.142 1.00 0.00 C ATOM 1374 CD1 ILE A 89 4.711 -12.347 1.382 1.00 0.00 C ATOM 0 H ILE A 89 1.096 -10.955 2.504 1.00 0.00 H new ATOM 0 HA ILE A 89 1.082 -11.467 -0.297 1.00 0.00 H new ATOM 0 HB ILE A 89 2.077 -13.081 2.079 1.00 0.00 H new ATOM 0 HG12 ILE A 89 3.440 -11.234 0.084 1.00 0.00 H new ATOM 0 HG13 ILE A 89 3.186 -10.915 1.788 1.00 0.00 H new ATOM 0 HG21 ILE A 89 3.372 -14.373 0.446 1.00 0.00 H new ATOM 0 HG22 ILE A 89 1.621 -14.563 0.197 1.00 0.00 H new ATOM 0 HG23 ILE A 89 2.564 -13.507 -0.882 1.00 0.00 H new ATOM 0 HD11 ILE A 89 5.494 -11.589 1.357 1.00 0.00 H new ATOM 0 HD12 ILE A 89 4.672 -12.795 2.375 1.00 0.00 H new ATOM 0 HD13 ILE A 89 4.929 -13.119 0.644 1.00 0.00 H new ATOM 1386 N LYS A 90 -0.758 -13.390 1.670 1.00 0.00 N ATOM 1387 CA LYS A 90 -1.920 -14.266 1.687 1.00 0.00 C ATOM 1388 C LYS A 90 -3.203 -13.473 1.933 1.00 0.00 C ATOM 1389 O LYS A 90 -4.187 -13.621 1.206 1.00 0.00 O ATOM 1390 CB LYS A 90 -1.760 -15.361 2.756 1.00 0.00 C ATOM 1391 CG LYS A 90 -3.072 -16.026 3.161 1.00 0.00 C ATOM 1392 CD LYS A 90 -3.774 -16.684 1.981 1.00 0.00 C ATOM 1393 CE LYS A 90 -5.232 -16.985 2.300 1.00 0.00 C ATOM 1394 NZ LYS A 90 -6.011 -15.745 2.586 1.00 0.00 N ATOM 0 H LYS A 90 -0.380 -13.172 2.592 1.00 0.00 H new ATOM 0 HA LYS A 90 -1.993 -14.740 0.708 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -1.078 -16.124 2.381 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -1.296 -14.926 3.641 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -2.876 -16.775 3.928 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -3.733 -15.281 3.605 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -3.718 -16.030 1.111 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -3.259 -17.608 1.718 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -5.685 -17.512 1.460 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -5.284 -17.652 3.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -7.019 -15.918 2.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -5.885 -15.478 3.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -5.672 -14.974 1.976 1.00 0.00 H new ATOM 1408 N ASP A 91 -3.191 -12.627 2.948 1.00 0.00 N ATOM 1409 CA ASP A 91 -4.420 -11.991 3.403 1.00 0.00 C ATOM 1410 C ASP A 91 -4.514 -10.547 2.942 1.00 0.00 C ATOM 1411 O ASP A 91 -4.968 -9.679 3.689 1.00 0.00 O ATOM 1412 CB ASP A 91 -4.533 -12.070 4.927 1.00 0.00 C ATOM 1413 CG ASP A 91 -4.652 -13.496 5.423 1.00 0.00 C ATOM 1414 OD1 ASP A 91 -5.437 -14.276 4.833 1.00 0.00 O ATOM 1415 OD2 ASP A 91 -3.966 -13.847 6.406 1.00 0.00 O ATOM 0 H ASP A 91 -2.355 -12.365 3.470 1.00 0.00 H new ATOM 0 HA ASP A 91 -5.252 -12.535 2.956 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -3.658 -11.603 5.378 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -5.403 -11.500 5.254 1.00 0.00 H new ATOM 1420 N ALA A 92 -4.109 -10.299 1.698 1.00 0.00 N ATOM 1421 CA ALA A 92 -4.241 -8.976 1.093 1.00 0.00 C ATOM 1422 C ALA A 92 -5.682 -8.491 1.187 1.00 0.00 C ATOM 1423 O ALA A 92 -5.940 -7.316 1.427 1.00 0.00 O ATOM 1424 CB ALA A 92 -3.790 -9.009 -0.360 1.00 0.00 C ATOM 0 H ALA A 92 -3.686 -10.999 1.088 1.00 0.00 H new ATOM 0 HA ALA A 92 -3.603 -8.281 1.639 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -3.895 -8.016 -0.796 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -2.746 -9.319 -0.410 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -4.406 -9.716 -0.916 1.00 0.00 H new ATOM 1430 N GLU A 93 -6.609 -9.427 1.026 1.00 0.00 N ATOM 1431 CA GLU A 93 -8.036 -9.146 1.128 1.00 0.00 C ATOM 1432 C GLU A 93 -8.367 -8.512 2.480 1.00 0.00 C ATOM 1433 O GLU A 93 -9.083 -7.512 2.555 1.00 0.00 O ATOM 1434 CB GLU A 93 -8.818 -10.454 0.971 1.00 0.00 C ATOM 1435 CG GLU A 93 -8.355 -11.311 -0.198 1.00 0.00 C ATOM 1436 CD GLU A 93 -8.889 -12.729 -0.117 1.00 0.00 C ATOM 1437 OE1 GLU A 93 -8.293 -13.547 0.616 1.00 0.00 O ATOM 1438 OE2 GLU A 93 -9.907 -13.032 -0.770 1.00 0.00 O ATOM 0 H GLU A 93 -6.393 -10.403 0.821 1.00 0.00 H new ATOM 0 HA GLU A 93 -8.315 -8.446 0.340 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -8.729 -11.032 1.891 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -9.875 -10.221 0.842 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -8.682 -10.855 -1.132 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -7.265 -11.336 -0.219 1.00 0.00 H new ATOM 1445 N LYS A 94 -7.819 -9.086 3.546 1.00 0.00 N ATOM 1446 CA LYS A 94 -8.079 -8.595 4.893 1.00 0.00 C ATOM 1447 C LYS A 94 -7.352 -7.282 5.138 1.00 0.00 C ATOM 1448 O LYS A 94 -7.840 -6.426 5.867 1.00 0.00 O ATOM 1449 CB LYS A 94 -7.669 -9.635 5.940 1.00 0.00 C ATOM 1450 CG LYS A 94 -8.547 -10.876 5.934 1.00 0.00 C ATOM 1451 CD LYS A 94 -8.133 -11.859 7.017 1.00 0.00 C ATOM 1452 CE LYS A 94 -9.080 -13.047 7.091 1.00 0.00 C ATOM 1453 NZ LYS A 94 -10.457 -12.634 7.475 1.00 0.00 N ATOM 0 H LYS A 94 -7.193 -9.890 3.503 1.00 0.00 H new ATOM 0 HA LYS A 94 -9.151 -8.418 4.985 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -6.635 -9.930 5.763 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -7.705 -9.178 6.929 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -9.587 -10.587 6.082 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -8.487 -11.361 4.959 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -7.121 -12.212 6.820 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -8.111 -11.351 7.981 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -9.108 -13.550 6.124 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -8.702 -13.769 7.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -10.780 -13.209 8.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -10.456 -11.630 7.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -11.099 -12.774 6.669 1.00 0.00 H new ATOM 1467 N VAL A 95 -6.191 -7.124 4.514 1.00 0.00 N ATOM 1468 CA VAL A 95 -5.419 -5.893 4.637 1.00 0.00 C ATOM 1469 C VAL A 95 -6.120 -4.743 3.911 1.00 0.00 C ATOM 1470 O VAL A 95 -6.192 -3.622 4.417 1.00 0.00 O ATOM 1471 CB VAL A 95 -3.988 -6.068 4.076 1.00 0.00 C ATOM 1472 CG1 VAL A 95 -3.188 -4.783 4.213 1.00 0.00 C ATOM 1473 CG2 VAL A 95 -3.280 -7.214 4.782 1.00 0.00 C ATOM 0 H VAL A 95 -5.763 -7.833 3.918 1.00 0.00 H new ATOM 0 HA VAL A 95 -5.347 -5.656 5.698 1.00 0.00 H new ATOM 0 HB VAL A 95 -4.065 -6.305 3.015 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -2.186 -4.934 3.811 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -3.684 -3.985 3.661 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -3.119 -4.508 5.265 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -2.274 -7.325 4.377 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -3.220 -7.002 5.849 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -3.838 -8.137 4.626 1.00 0.00 H new ATOM 1483 N ILE A 96 -6.656 -5.042 2.733 1.00 0.00 N ATOM 1484 CA ILE A 96 -7.386 -4.057 1.945 1.00 0.00 C ATOM 1485 C ILE A 96 -8.612 -3.571 2.709 1.00 0.00 C ATOM 1486 O ILE A 96 -8.839 -2.369 2.849 1.00 0.00 O ATOM 1487 CB ILE A 96 -7.809 -4.643 0.574 1.00 0.00 C ATOM 1488 CG1 ILE A 96 -6.575 -4.867 -0.306 1.00 0.00 C ATOM 1489 CG2 ILE A 96 -8.804 -3.725 -0.129 1.00 0.00 C ATOM 1490 CD1 ILE A 96 -6.879 -5.553 -1.622 1.00 0.00 C ATOM 0 H ILE A 96 -6.598 -5.964 2.301 1.00 0.00 H new ATOM 0 HA ILE A 96 -6.723 -3.211 1.764 1.00 0.00 H new ATOM 0 HB ILE A 96 -8.299 -5.601 0.747 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -6.105 -3.905 -0.509 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -5.850 -5.465 0.246 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -9.085 -4.159 -1.089 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -9.693 -3.609 0.491 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -8.346 -2.749 -0.292 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -5.957 -5.677 -2.189 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -7.320 -6.531 -1.429 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -7.579 -4.946 -2.196 1.00 0.00 H new ATOM 1502 N ASN A 97 -9.377 -4.515 3.237 1.00 0.00 N ATOM 1503 CA ASN A 97 -10.584 -4.188 3.985 1.00 0.00 C ATOM 1504 C ASN A 97 -10.248 -3.565 5.334 1.00 0.00 C ATOM 1505 O ASN A 97 -11.076 -2.881 5.929 1.00 0.00 O ATOM 1506 CB ASN A 97 -11.453 -5.428 4.183 1.00 0.00 C ATOM 1507 CG ASN A 97 -12.226 -5.804 2.931 1.00 0.00 C ATOM 1508 OD1 ASN A 97 -13.320 -5.297 2.687 1.00 0.00 O ATOM 1509 ND2 ASN A 97 -11.671 -6.700 2.129 1.00 0.00 N ATOM 0 H ASN A 97 -9.184 -5.514 3.162 1.00 0.00 H new ATOM 0 HA ASN A 97 -11.143 -3.457 3.400 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -10.822 -6.265 4.482 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -12.154 -5.250 4.999 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -12.152 -6.990 1.278 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -10.762 -7.100 2.363 1.00 0.00 H new ATOM 1516 N ALA A 98 -9.031 -3.799 5.811 1.00 0.00 N ATOM 1517 CA ALA A 98 -8.580 -3.216 7.068 1.00 0.00 C ATOM 1518 C ALA A 98 -8.430 -1.708 6.928 1.00 0.00 C ATOM 1519 O ALA A 98 -8.787 -0.952 7.831 1.00 0.00 O ATOM 1520 CB ALA A 98 -7.263 -3.836 7.508 1.00 0.00 C ATOM 0 H ALA A 98 -8.340 -4.388 5.346 1.00 0.00 H new ATOM 0 HA ALA A 98 -9.330 -3.426 7.830 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -6.945 -3.386 8.448 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -7.394 -4.909 7.645 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -6.504 -3.658 6.746 1.00 0.00 H new ATOM 1526 N ALA A 99 -7.906 -1.282 5.784 1.00 0.00 N ATOM 1527 CA ALA A 99 -7.743 0.132 5.496 1.00 0.00 C ATOM 1528 C ALA A 99 -9.103 0.801 5.344 1.00 0.00 C ATOM 1529 O ALA A 99 -9.347 1.882 5.882 1.00 0.00 O ATOM 1530 CB ALA A 99 -6.913 0.312 4.234 1.00 0.00 C ATOM 0 H ALA A 99 -7.586 -1.902 5.040 1.00 0.00 H new ATOM 0 HA ALA A 99 -7.221 0.605 6.327 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -6.795 1.375 4.025 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -5.932 -0.141 4.376 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -7.417 -0.169 3.396 1.00 0.00 H new ATOM 1536 N LEU A 100 -9.992 0.140 4.612 1.00 0.00 N ATOM 1537 CA LEU A 100 -11.345 0.634 4.415 1.00 0.00 C ATOM 1538 C LEU A 100 -12.106 0.716 5.732 1.00 0.00 C ATOM 1539 O LEU A 100 -12.891 1.634 5.939 1.00 0.00 O ATOM 1540 CB LEU A 100 -12.097 -0.261 3.433 1.00 0.00 C ATOM 1541 CG LEU A 100 -11.915 0.092 1.957 1.00 0.00 C ATOM 1542 CD1 LEU A 100 -12.488 1.471 1.678 1.00 0.00 C ATOM 1543 CD2 LEU A 100 -10.450 0.039 1.549 1.00 0.00 C ATOM 0 H LEU A 100 -9.796 -0.745 4.143 1.00 0.00 H new ATOM 0 HA LEU A 100 -11.274 1.641 4.003 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -11.775 -1.291 3.586 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -13.160 -0.221 3.671 1.00 0.00 H new ATOM 0 HG LEU A 100 -12.453 -0.648 1.365 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -12.354 1.714 0.624 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -13.551 1.479 1.920 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -11.971 2.210 2.290 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -10.357 0.295 0.494 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -9.880 0.750 2.147 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -10.063 -0.966 1.714 1.00 0.00 H new ATOM 1555 N ALA A 101 -11.850 -0.228 6.626 1.00 0.00 N ATOM 1556 CA ALA A 101 -12.544 -0.284 7.910 1.00 0.00 C ATOM 1557 C ALA A 101 -12.243 0.940 8.772 1.00 0.00 C ATOM 1558 O ALA A 101 -12.968 1.227 9.722 1.00 0.00 O ATOM 1559 CB ALA A 101 -12.176 -1.557 8.657 1.00 0.00 C ATOM 0 H ALA A 101 -11.164 -0.970 6.487 1.00 0.00 H new ATOM 0 HA ALA A 101 -13.614 -0.288 7.703 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -12.701 -1.583 9.612 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -12.462 -2.424 8.061 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -11.101 -1.577 8.834 1.00 0.00 H new ATOM 1565 N LEU A 102 -11.180 1.660 8.441 1.00 0.00 N ATOM 1566 CA LEU A 102 -10.812 2.852 9.190 1.00 0.00 C ATOM 1567 C LEU A 102 -11.637 4.056 8.747 1.00 0.00 C ATOM 1568 O LEU A 102 -12.138 4.815 9.571 1.00 0.00 O ATOM 1569 CB LEU A 102 -9.322 3.159 9.019 1.00 0.00 C ATOM 1570 CG LEU A 102 -8.370 2.063 9.494 1.00 0.00 C ATOM 1571 CD1 LEU A 102 -6.927 2.521 9.359 1.00 0.00 C ATOM 1572 CD2 LEU A 102 -8.680 1.679 10.934 1.00 0.00 C ATOM 0 H LEU A 102 -10.560 1.440 7.662 1.00 0.00 H new ATOM 0 HA LEU A 102 -11.018 2.656 10.242 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -9.127 3.355 7.965 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -9.093 4.076 9.561 1.00 0.00 H new ATOM 0 HG LEU A 102 -8.511 1.183 8.867 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -6.260 1.729 9.701 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -6.714 2.749 8.315 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -6.771 3.414 9.964 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -7.993 0.897 11.258 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -8.565 2.552 11.576 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -9.704 1.313 11.000 1.00 0.00 H new ATOM 1584 N ILE A 103 -11.789 4.216 7.439 1.00 0.00 N ATOM 1585 CA ILE A 103 -12.433 5.405 6.891 1.00 0.00 C ATOM 1586 C ILE A 103 -13.874 5.151 6.465 1.00 0.00 C ATOM 1587 O ILE A 103 -14.740 6.013 6.618 1.00 0.00 O ATOM 1588 CB ILE A 103 -11.644 5.961 5.692 1.00 0.00 C ATOM 1589 CG1 ILE A 103 -11.429 4.874 4.630 1.00 0.00 C ATOM 1590 CG2 ILE A 103 -10.316 6.524 6.166 1.00 0.00 C ATOM 1591 CD1 ILE A 103 -10.762 5.378 3.368 1.00 0.00 C ATOM 0 H ILE A 103 -11.477 3.542 6.740 1.00 0.00 H new ATOM 0 HA ILE A 103 -12.443 6.138 7.698 1.00 0.00 H new ATOM 0 HB ILE A 103 -12.221 6.764 5.233 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -10.821 4.076 5.057 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -12.393 4.436 4.371 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -9.762 6.916 5.313 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -10.496 7.326 6.882 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -9.736 5.735 6.644 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -10.644 4.554 2.665 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -11.379 6.155 2.916 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -9.783 5.789 3.613 1.00 0.00 H new ATOM 1603 N ASP A 104 -14.132 3.973 5.924 1.00 0.00 N ATOM 1604 CA ASP A 104 -15.449 3.645 5.401 1.00 0.00 C ATOM 1605 C ASP A 104 -16.163 2.691 6.350 1.00 0.00 C ATOM 1606 O ASP A 104 -17.387 2.582 6.332 1.00 0.00 O ATOM 1607 CB ASP A 104 -15.321 3.016 4.010 1.00 0.00 C ATOM 1608 CG ASP A 104 -16.600 3.119 3.202 1.00 0.00 C ATOM 1609 OD1 ASP A 104 -17.000 4.252 2.866 1.00 0.00 O ATOM 1610 OD2 ASP A 104 -17.192 2.071 2.871 1.00 0.00 O ATOM 0 H ASP A 104 -13.445 3.225 5.835 1.00 0.00 H new ATOM 0 HA ASP A 104 -16.036 4.560 5.317 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -14.513 3.506 3.467 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -15.045 1.967 4.114 1.00 0.00 H new