USER MOD reduce.3.24.130724 H: found=0, std=0, add=968, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 968 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -149:sc= -0.253 (180deg=-1.18) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot -59:sc= 1.18 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= -0.194 USER MOD Single : A 18 SER OG : rot -132:sc= 0.979 USER MOD Single : A 26 TYR OH : rot 51:sc= -1.59 USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 30 THR OG1 : rot 9:sc= 0.214! USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot -113:sc= 0.233 USER MOD Single : A 39 LYS NZ :NH3+ -166:sc= 0.0376 (180deg=0.0119) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ -171:sc= -0.239 (180deg=-0.316) USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN : amide:sc= -1.14 X(o=-1.1,f=-0.7) USER MOD Single : A 71 SER OG : rot -6:sc= 1.02 USER MOD Single : A 74 SER OG : rot 138:sc= -0.151 USER MOD Single : A 80 THR OG1 : rot -59:sc= -4.31! USER MOD Single : A 82 HIS : no HD1:sc= -0.188 X(o=-0.19,f=-0.35) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ -128:sc= -0.622 (180deg=-2.49!) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 SER OG : rot 180:sc=-0.00289 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 LYS NZ :NH3+ 171:sc= 0.123 (180deg=0.0926) USER MOD Single : A 115 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 120 TYR OH : rot 180:sc= -0.0869 USER MOD Single : A 121 SER OG : rot -50:sc= 0.00796 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.927 2.308 16.273 1.00 0.00 N ATOM 2 CA MET A 1 -1.779 3.025 15.654 1.00 0.00 C ATOM 3 C MET A 1 -1.155 2.204 14.529 1.00 0.00 C ATOM 4 O MET A 1 -0.572 2.755 13.596 1.00 0.00 O ATOM 5 CB MET A 1 -0.739 3.309 16.740 1.00 0.00 C ATOM 6 CG MET A 1 0.241 4.410 16.371 1.00 0.00 C ATOM 7 SD MET A 1 0.871 5.291 17.812 1.00 0.00 S ATOM 8 CE MET A 1 2.618 5.363 17.429 1.00 0.00 C ATOM 0 H1 MET A 1 -3.625 2.999 16.614 1.00 0.00 H new ATOM 0 H2 MET A 1 -3.371 1.688 15.566 1.00 0.00 H new ATOM 0 H3 MET A 1 -2.588 1.735 17.072 1.00 0.00 H new ATOM 0 HA MET A 1 -2.134 3.959 15.219 1.00 0.00 H new ATOM 0 HB2 MET A 1 -1.253 3.585 17.660 1.00 0.00 H new ATOM 0 HB3 MET A 1 -0.184 2.394 16.948 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.077 3.978 15.820 1.00 0.00 H new ATOM 0 HG3 MET A 1 -0.249 5.118 15.703 1.00 0.00 H new ATOM 0 HE1 MET A 1 3.145 5.881 18.230 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.011 4.351 17.331 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.763 5.901 16.492 1.00 0.00 H new ATOM 20 N LYS A 2 -1.279 0.884 14.626 1.00 0.00 N ATOM 21 CA LYS A 2 -0.725 -0.011 13.617 1.00 0.00 C ATOM 22 C LYS A 2 -1.801 -0.465 12.633 1.00 0.00 C ATOM 23 O LYS A 2 -2.525 -1.427 12.889 1.00 0.00 O ATOM 24 CB LYS A 2 -0.085 -1.227 14.289 1.00 0.00 C ATOM 25 CG LYS A 2 0.987 -0.867 15.305 1.00 0.00 C ATOM 26 CD LYS A 2 2.185 -0.206 14.642 1.00 0.00 C ATOM 27 CE LYS A 2 3.353 -1.170 14.512 1.00 0.00 C ATOM 28 NZ LYS A 2 4.141 -1.261 15.773 1.00 0.00 N ATOM 0 H LYS A 2 -1.758 0.411 15.392 1.00 0.00 H new ATOM 0 HA LYS A 2 0.036 0.536 13.060 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -0.862 -1.809 14.784 1.00 0.00 H new ATOM 0 HB3 LYS A 2 0.353 -1.867 13.523 1.00 0.00 H new ATOM 0 HG2 LYS A 2 0.568 -0.195 16.054 1.00 0.00 H new ATOM 0 HG3 LYS A 2 1.310 -1.767 15.828 1.00 0.00 H new ATOM 0 HD2 LYS A 2 1.901 0.158 13.655 1.00 0.00 H new ATOM 0 HD3 LYS A 2 2.492 0.662 15.225 1.00 0.00 H new ATOM 0 HE2 LYS A 2 2.980 -2.159 14.245 1.00 0.00 H new ATOM 0 HE3 LYS A 2 4.003 -0.845 13.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 4.928 -1.928 15.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 4.519 -0.323 16.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 3.527 -1.596 16.543 1.00 0.00 H new ATOM 42 N ARG A 3 -1.898 0.235 11.506 1.00 0.00 N ATOM 43 CA ARG A 3 -2.880 -0.094 10.477 1.00 0.00 C ATOM 44 C ARG A 3 -2.303 0.139 9.084 1.00 0.00 C ATOM 45 O ARG A 3 -1.802 1.221 8.786 1.00 0.00 O ATOM 46 CB ARG A 3 -4.146 0.747 10.659 1.00 0.00 C ATOM 47 CG ARG A 3 -4.697 0.726 12.076 1.00 0.00 C ATOM 48 CD ARG A 3 -4.030 1.777 12.949 1.00 0.00 C ATOM 49 NE ARG A 3 -4.996 2.499 13.775 1.00 0.00 N ATOM 50 CZ ARG A 3 -5.637 3.600 13.385 1.00 0.00 C ATOM 51 NH1 ARG A 3 -5.444 4.096 12.169 1.00 0.00 N ATOM 52 NH2 ARG A 3 -6.482 4.200 14.212 1.00 0.00 N ATOM 0 H ARG A 3 -1.307 1.036 11.282 1.00 0.00 H new ATOM 0 HA ARG A 3 -3.135 -1.149 10.579 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -3.930 1.778 10.378 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -4.913 0.385 9.975 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -5.773 0.901 12.052 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -4.544 -0.261 12.512 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -3.291 1.298 13.591 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -3.493 2.485 12.317 1.00 0.00 H new ATOM 0 HE ARG A 3 -5.192 2.137 14.708 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -4.801 3.634 11.526 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -5.938 4.939 11.878 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -6.640 3.819 15.145 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -6.974 5.043 13.916 1.00 0.00 H new ATOM 66 N VAL A 4 -2.380 -0.879 8.232 1.00 0.00 N ATOM 67 CA VAL A 4 -1.865 -0.772 6.872 1.00 0.00 C ATOM 68 C VAL A 4 -2.996 -0.890 5.855 1.00 0.00 C ATOM 69 O VAL A 4 -4.034 -1.487 6.136 1.00 0.00 O ATOM 70 CB VAL A 4 -0.804 -1.854 6.585 1.00 0.00 C ATOM 71 CG1 VAL A 4 -0.203 -1.664 5.200 1.00 0.00 C ATOM 72 CG2 VAL A 4 0.283 -1.833 7.652 1.00 0.00 C ATOM 0 H VAL A 4 -2.793 -1.784 8.459 1.00 0.00 H new ATOM 0 HA VAL A 4 -1.397 0.208 6.780 1.00 0.00 H new ATOM 0 HB VAL A 4 -1.292 -2.828 6.612 1.00 0.00 H new ATOM 0 HG11 VAL A 4 0.543 -2.438 5.018 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -0.990 -1.735 4.449 1.00 0.00 H new ATOM 0 HG13 VAL A 4 0.269 -0.683 5.140 1.00 0.00 H new ATOM 0 HG21 VAL A 4 1.023 -2.603 7.433 1.00 0.00 H new ATOM 0 HG22 VAL A 4 0.767 -0.856 7.659 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -0.162 -2.025 8.628 1.00 0.00 H new ATOM 82 N LEU A 5 -2.795 -0.315 4.672 1.00 0.00 N ATOM 83 CA LEU A 5 -3.811 -0.363 3.626 1.00 0.00 C ATOM 84 C LEU A 5 -3.323 -1.161 2.423 1.00 0.00 C ATOM 85 O LEU A 5 -2.206 -0.966 1.944 1.00 0.00 O ATOM 86 CB LEU A 5 -4.205 1.048 3.188 1.00 0.00 C ATOM 87 CG LEU A 5 -5.387 1.112 2.217 1.00 0.00 C ATOM 88 CD1 LEU A 5 -6.652 0.596 2.883 1.00 0.00 C ATOM 89 CD2 LEU A 5 -5.590 2.531 1.709 1.00 0.00 C ATOM 0 H LEU A 5 -1.944 0.186 4.415 1.00 0.00 H new ATOM 0 HA LEU A 5 -4.687 -0.862 4.040 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -4.449 1.634 4.074 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -3.342 1.522 2.720 1.00 0.00 H new ATOM 0 HG LEU A 5 -5.163 0.473 1.363 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -7.482 0.649 2.178 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -6.504 -0.439 3.193 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -6.879 1.207 3.757 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -6.435 2.554 1.021 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -5.790 3.194 2.551 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -4.691 2.864 1.191 1.00 0.00 H new ATOM 101 N VAL A 6 -4.171 -2.061 1.942 1.00 0.00 N ATOM 102 CA VAL A 6 -3.836 -2.894 0.794 1.00 0.00 C ATOM 103 C VAL A 6 -4.764 -2.618 -0.380 1.00 0.00 C ATOM 104 O VAL A 6 -5.802 -3.261 -0.530 1.00 0.00 O ATOM 105 CB VAL A 6 -3.910 -4.389 1.144 1.00 0.00 C ATOM 106 CG1 VAL A 6 -3.397 -5.235 -0.011 1.00 0.00 C ATOM 107 CG2 VAL A 6 -3.129 -4.672 2.416 1.00 0.00 C ATOM 0 H VAL A 6 -5.098 -2.233 2.330 1.00 0.00 H new ATOM 0 HA VAL A 6 -2.814 -2.641 0.513 1.00 0.00 H new ATOM 0 HB VAL A 6 -4.953 -4.656 1.318 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -3.457 -6.290 0.256 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -4.005 -5.049 -0.896 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -2.360 -4.973 -0.222 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -3.190 -5.734 2.652 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -2.086 -4.392 2.272 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -3.550 -4.093 3.238 1.00 0.00 H new ATOM 117 N VAL A 7 -4.379 -1.666 -1.217 1.00 0.00 N ATOM 118 CA VAL A 7 -5.172 -1.314 -2.383 1.00 0.00 C ATOM 119 C VAL A 7 -4.845 -2.240 -3.547 1.00 0.00 C ATOM 120 O VAL A 7 -3.866 -2.032 -4.264 1.00 0.00 O ATOM 121 CB VAL A 7 -4.929 0.147 -2.809 1.00 0.00 C ATOM 122 CG1 VAL A 7 -5.948 0.579 -3.847 1.00 0.00 C ATOM 123 CG2 VAL A 7 -4.965 1.069 -1.600 1.00 0.00 C ATOM 0 H VAL A 7 -3.522 -1.124 -1.109 1.00 0.00 H new ATOM 0 HA VAL A 7 -6.221 -1.426 -2.110 1.00 0.00 H new ATOM 0 HB VAL A 7 -3.938 0.213 -3.259 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.759 1.613 -4.134 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -5.867 -0.062 -4.725 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -6.951 0.496 -3.429 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.791 2.096 -1.921 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -5.940 0.999 -1.118 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -4.189 0.773 -0.894 1.00 0.00 H new ATOM 133 N ASP A 8 -5.665 -3.271 -3.723 1.00 0.00 N ATOM 134 CA ASP A 8 -5.455 -4.238 -4.792 1.00 0.00 C ATOM 135 C ASP A 8 -6.692 -4.354 -5.677 1.00 0.00 C ATOM 136 O ASP A 8 -7.812 -4.488 -5.182 1.00 0.00 O ATOM 137 CB ASP A 8 -5.100 -5.603 -4.196 1.00 0.00 C ATOM 138 CG ASP A 8 -4.732 -6.627 -5.254 1.00 0.00 C ATOM 139 OD1 ASP A 8 -5.287 -6.558 -6.371 1.00 0.00 O ATOM 140 OD2 ASP A 8 -3.886 -7.498 -4.963 1.00 0.00 O ATOM 0 H ASP A 8 -6.480 -3.457 -3.139 1.00 0.00 H new ATOM 0 HA ASP A 8 -4.629 -3.891 -5.412 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -4.266 -5.487 -3.504 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -5.946 -5.973 -3.617 1.00 0.00 H new ATOM 145 N ASP A 9 -6.480 -4.301 -6.988 1.00 0.00 N ATOM 146 CA ASP A 9 -7.575 -4.398 -7.946 1.00 0.00 C ATOM 147 C ASP A 9 -8.353 -5.698 -7.755 1.00 0.00 C ATOM 148 O ASP A 9 -9.527 -5.679 -7.383 1.00 0.00 O ATOM 149 CB ASP A 9 -7.037 -4.309 -9.376 1.00 0.00 C ATOM 150 CG ASP A 9 -8.135 -4.410 -10.417 1.00 0.00 C ATOM 151 OD1 ASP A 9 -8.577 -5.542 -10.705 1.00 0.00 O ATOM 152 OD2 ASP A 9 -8.551 -3.357 -10.945 1.00 0.00 O ATOM 0 H ASP A 9 -5.559 -4.191 -7.412 1.00 0.00 H new ATOM 0 HA ASP A 9 -8.255 -3.564 -7.771 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -6.506 -3.365 -9.503 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -6.312 -5.107 -9.538 1.00 0.00 H new ATOM 157 N GLU A 10 -7.695 -6.825 -8.011 1.00 0.00 N ATOM 158 CA GLU A 10 -8.335 -8.130 -7.862 1.00 0.00 C ATOM 159 C GLU A 10 -7.368 -9.261 -8.202 1.00 0.00 C ATOM 160 O GLU A 10 -6.937 -9.400 -9.347 1.00 0.00 O ATOM 161 CB GLU A 10 -9.574 -8.217 -8.757 1.00 0.00 C ATOM 162 CG GLU A 10 -10.738 -8.950 -8.112 1.00 0.00 C ATOM 163 CD GLU A 10 -10.801 -10.411 -8.512 1.00 0.00 C ATOM 164 OE1 GLU A 10 -9.970 -11.200 -8.013 1.00 0.00 O ATOM 165 OE2 GLU A 10 -11.680 -10.768 -9.324 1.00 0.00 O ATOM 0 H GLU A 10 -6.724 -6.862 -8.321 1.00 0.00 H new ATOM 0 HA GLU A 10 -8.635 -8.239 -6.820 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -9.892 -7.209 -9.022 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -9.307 -8.722 -9.685 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -10.652 -8.877 -7.028 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -11.671 -8.460 -8.392 1.00 0.00 H new ATOM 172 N GLU A 11 -7.041 -10.072 -7.201 1.00 0.00 N ATOM 173 CA GLU A 11 -6.134 -11.201 -7.392 1.00 0.00 C ATOM 174 C GLU A 11 -6.264 -12.201 -6.242 1.00 0.00 C ATOM 175 O GLU A 11 -7.074 -13.125 -6.307 1.00 0.00 O ATOM 176 CB GLU A 11 -4.683 -10.721 -7.529 1.00 0.00 C ATOM 177 CG GLU A 11 -4.421 -9.349 -6.926 1.00 0.00 C ATOM 178 CD GLU A 11 -3.005 -8.866 -7.173 1.00 0.00 C ATOM 179 OE1 GLU A 11 -2.112 -9.718 -7.371 1.00 0.00 O ATOM 180 OE2 GLU A 11 -2.788 -7.635 -7.169 1.00 0.00 O ATOM 0 H GLU A 11 -7.390 -9.969 -6.248 1.00 0.00 H new ATOM 0 HA GLU A 11 -6.414 -11.705 -8.317 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -4.025 -11.447 -7.051 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -4.418 -10.698 -8.586 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -5.125 -8.631 -7.346 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -4.607 -9.386 -5.853 1.00 0.00 H new ATOM 187 N SER A 12 -5.469 -12.017 -5.186 1.00 0.00 N ATOM 188 CA SER A 12 -5.518 -12.916 -4.034 1.00 0.00 C ATOM 189 C SER A 12 -4.541 -12.493 -2.936 1.00 0.00 C ATOM 190 O SER A 12 -4.132 -13.314 -2.116 1.00 0.00 O ATOM 191 CB SER A 12 -5.211 -14.350 -4.471 1.00 0.00 C ATOM 192 OG SER A 12 -5.145 -15.220 -3.354 1.00 0.00 O ATOM 0 H SER A 12 -4.790 -11.260 -5.106 1.00 0.00 H new ATOM 0 HA SER A 12 -6.526 -12.863 -3.623 1.00 0.00 H new ATOM 0 HB2 SER A 12 -5.981 -14.696 -5.161 1.00 0.00 H new ATOM 0 HB3 SER A 12 -4.265 -14.374 -5.011 1.00 0.00 H new ATOM 0 HG SER A 12 -4.451 -14.907 -2.736 1.00 0.00 H new ATOM 198 N ILE A 13 -4.168 -11.216 -2.918 1.00 0.00 N ATOM 199 CA ILE A 13 -3.240 -10.711 -1.913 1.00 0.00 C ATOM 200 C ILE A 13 -3.978 -10.343 -0.627 1.00 0.00 C ATOM 201 O ILE A 13 -3.462 -10.539 0.474 1.00 0.00 O ATOM 202 CB ILE A 13 -2.459 -9.480 -2.435 1.00 0.00 C ATOM 203 CG1 ILE A 13 -1.452 -9.906 -3.506 1.00 0.00 C ATOM 204 CG2 ILE A 13 -1.744 -8.764 -1.296 1.00 0.00 C ATOM 205 CD1 ILE A 13 -2.079 -10.621 -4.683 1.00 0.00 C ATOM 0 H ILE A 13 -4.493 -10.516 -3.585 1.00 0.00 H new ATOM 0 HA ILE A 13 -2.528 -11.509 -1.700 1.00 0.00 H new ATOM 0 HB ILE A 13 -3.175 -8.787 -2.877 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -0.925 -9.023 -3.868 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -0.706 -10.558 -3.052 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -1.203 -7.903 -1.690 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -2.476 -8.428 -0.561 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -1.041 -9.448 -0.821 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -1.303 -10.892 -5.400 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -2.582 -11.523 -4.335 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -2.804 -9.964 -5.164 1.00 0.00 H new ATOM 217 N THR A 14 -5.185 -9.810 -0.774 1.00 0.00 N ATOM 218 CA THR A 14 -5.991 -9.416 0.376 1.00 0.00 C ATOM 219 C THR A 14 -6.273 -10.612 1.281 1.00 0.00 C ATOM 220 O THR A 14 -6.371 -10.470 2.500 1.00 0.00 O ATOM 221 CB THR A 14 -7.306 -8.791 -0.089 1.00 0.00 C ATOM 222 OG1 THR A 14 -8.061 -9.717 -0.850 1.00 0.00 O ATOM 223 CG2 THR A 14 -7.115 -7.550 -0.934 1.00 0.00 C ATOM 0 H THR A 14 -5.627 -9.641 -1.677 1.00 0.00 H new ATOM 0 HA THR A 14 -5.428 -8.678 0.948 1.00 0.00 H new ATOM 0 HB THR A 14 -7.830 -8.511 0.825 1.00 0.00 H new ATOM 0 HG1 THR A 14 -8.899 -9.298 -1.137 1.00 0.00 H new ATOM 0 HG21 THR A 14 -8.088 -7.158 -1.230 1.00 0.00 H new ATOM 0 HG22 THR A 14 -6.580 -6.796 -0.357 1.00 0.00 H new ATOM 0 HG23 THR A 14 -6.539 -7.801 -1.825 1.00 0.00 H new ATOM 231 N SER A 15 -6.407 -11.790 0.677 1.00 0.00 N ATOM 232 CA SER A 15 -6.684 -13.011 1.428 1.00 0.00 C ATOM 233 C SER A 15 -5.395 -13.715 1.851 1.00 0.00 C ATOM 234 O SER A 15 -5.367 -14.939 1.993 1.00 0.00 O ATOM 235 CB SER A 15 -7.541 -13.961 0.591 1.00 0.00 C ATOM 236 OG SER A 15 -8.324 -14.805 1.417 1.00 0.00 O ATOM 0 H SER A 15 -6.328 -11.925 -0.331 1.00 0.00 H new ATOM 0 HA SER A 15 -7.227 -12.729 2.330 1.00 0.00 H new ATOM 0 HB2 SER A 15 -8.192 -13.385 -0.066 1.00 0.00 H new ATOM 0 HB3 SER A 15 -6.899 -14.567 -0.048 1.00 0.00 H new ATOM 0 HG SER A 15 -8.864 -15.401 0.857 1.00 0.00 H new ATOM 242 N SER A 16 -4.333 -12.943 2.054 1.00 0.00 N ATOM 243 CA SER A 16 -3.049 -13.501 2.462 1.00 0.00 C ATOM 244 C SER A 16 -2.189 -12.437 3.136 1.00 0.00 C ATOM 245 O SER A 16 -1.826 -12.562 4.305 1.00 0.00 O ATOM 246 CB SER A 16 -2.312 -14.080 1.254 1.00 0.00 C ATOM 247 OG SER A 16 -1.978 -13.064 0.325 1.00 0.00 O ATOM 0 H SER A 16 -4.336 -11.929 1.943 1.00 0.00 H new ATOM 0 HA SER A 16 -3.238 -14.301 3.178 1.00 0.00 H new ATOM 0 HB2 SER A 16 -1.405 -14.586 1.586 1.00 0.00 H new ATOM 0 HB3 SER A 16 -2.936 -14.830 0.768 1.00 0.00 H new ATOM 0 HG SER A 16 -1.506 -13.460 -0.437 1.00 0.00 H new ATOM 253 N LEU A 17 -1.874 -11.386 2.387 1.00 0.00 N ATOM 254 CA LEU A 17 -1.064 -10.289 2.901 1.00 0.00 C ATOM 255 C LEU A 17 -1.701 -9.692 4.152 1.00 0.00 C ATOM 256 O LEU A 17 -1.043 -9.526 5.179 1.00 0.00 O ATOM 257 CB LEU A 17 -0.893 -9.219 1.815 1.00 0.00 C ATOM 258 CG LEU A 17 -0.222 -7.911 2.248 1.00 0.00 C ATOM 259 CD1 LEU A 17 -1.236 -6.975 2.884 1.00 0.00 C ATOM 260 CD2 LEU A 17 0.940 -8.179 3.196 1.00 0.00 C ATOM 0 H LEU A 17 -2.169 -11.271 1.417 1.00 0.00 H new ATOM 0 HA LEU A 17 -0.081 -10.672 3.175 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -0.310 -9.649 1.000 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -1.877 -8.981 1.412 1.00 0.00 H new ATOM 0 HG LEU A 17 0.180 -7.426 1.358 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.740 -6.052 3.185 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -2.022 -6.747 2.164 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.674 -7.454 3.760 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.398 -7.233 3.487 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.574 -8.693 4.084 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.681 -8.802 2.696 1.00 0.00 H new ATOM 272 N SER A 18 -2.991 -9.380 4.071 1.00 0.00 N ATOM 273 CA SER A 18 -3.708 -8.814 5.209 1.00 0.00 C ATOM 274 C SER A 18 -3.561 -9.715 6.431 1.00 0.00 C ATOM 275 O SER A 18 -3.271 -9.245 7.531 1.00 0.00 O ATOM 276 CB SER A 18 -5.187 -8.627 4.868 1.00 0.00 C ATOM 277 OG SER A 18 -5.891 -9.854 4.959 1.00 0.00 O ATOM 0 H SER A 18 -3.559 -9.509 3.234 1.00 0.00 H new ATOM 0 HA SER A 18 -3.276 -7.840 5.438 1.00 0.00 H new ATOM 0 HB2 SER A 18 -5.631 -7.899 5.547 1.00 0.00 H new ATOM 0 HB3 SER A 18 -5.283 -8.223 3.860 1.00 0.00 H new ATOM 0 HG SER A 18 -6.438 -9.977 4.156 1.00 0.00 H new ATOM 283 N ALA A 19 -3.751 -11.014 6.225 1.00 0.00 N ATOM 284 CA ALA A 19 -3.628 -11.983 7.306 1.00 0.00 C ATOM 285 C ALA A 19 -2.228 -11.942 7.905 1.00 0.00 C ATOM 286 O ALA A 19 -2.055 -12.041 9.120 1.00 0.00 O ATOM 287 CB ALA A 19 -3.944 -13.381 6.798 1.00 0.00 C ATOM 0 H ALA A 19 -3.991 -11.419 5.320 1.00 0.00 H new ATOM 0 HA ALA A 19 -4.344 -11.723 8.086 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.848 -14.095 7.616 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -4.963 -13.406 6.412 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -3.248 -13.645 6.002 1.00 0.00 H new ATOM 293 N ILE A 20 -1.230 -11.791 7.040 1.00 0.00 N ATOM 294 CA ILE A 20 0.160 -11.731 7.474 1.00 0.00 C ATOM 295 C ILE A 20 0.367 -10.601 8.477 1.00 0.00 C ATOM 296 O ILE A 20 0.698 -10.847 9.636 1.00 0.00 O ATOM 297 CB ILE A 20 1.114 -11.553 6.269 1.00 0.00 C ATOM 298 CG1 ILE A 20 1.302 -12.888 5.552 1.00 0.00 C ATOM 299 CG2 ILE A 20 2.459 -10.990 6.711 1.00 0.00 C ATOM 300 CD1 ILE A 20 1.778 -12.744 4.123 1.00 0.00 C ATOM 0 H ILE A 20 -1.359 -11.708 6.032 1.00 0.00 H new ATOM 0 HA ILE A 20 0.394 -12.678 7.961 1.00 0.00 H new ATOM 0 HB ILE A 20 0.665 -10.839 5.578 1.00 0.00 H new ATOM 0 HG12 ILE A 20 2.021 -13.491 6.107 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.357 -13.431 5.559 1.00 0.00 H new ATOM 0 HG21 ILE A 20 3.109 -10.876 5.843 1.00 0.00 H new ATOM 0 HG22 ILE A 20 2.310 -10.019 7.183 1.00 0.00 H new ATOM 0 HG23 ILE A 20 2.922 -11.672 7.424 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.890 -13.732 3.675 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.049 -12.168 3.553 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.738 -12.229 4.110 1.00 0.00 H new ATOM 312 N LEU A 21 0.165 -9.364 8.034 1.00 0.00 N ATOM 313 CA LEU A 21 0.323 -8.210 8.912 1.00 0.00 C ATOM 314 C LEU A 21 -0.435 -8.425 10.216 1.00 0.00 C ATOM 315 O LEU A 21 -0.015 -7.966 11.279 1.00 0.00 O ATOM 316 CB LEU A 21 -0.183 -6.956 8.215 1.00 0.00 C ATOM 317 CG LEU A 21 0.545 -6.625 6.917 1.00 0.00 C ATOM 318 CD1 LEU A 21 -0.453 -6.367 5.804 1.00 0.00 C ATOM 319 CD2 LEU A 21 1.464 -5.431 7.113 1.00 0.00 C ATOM 0 H LEU A 21 -0.107 -9.136 7.078 1.00 0.00 H new ATOM 0 HA LEU A 21 1.381 -8.088 9.142 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -1.245 -7.076 8.002 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.088 -6.111 8.897 1.00 0.00 H new ATOM 0 HG LEU A 21 1.159 -7.479 6.632 1.00 0.00 H new ATOM 0 HD11 LEU A 21 0.081 -6.132 4.883 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.065 -7.256 5.651 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.093 -5.528 6.076 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.976 -5.208 6.177 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.876 -4.566 7.420 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.200 -5.661 7.883 1.00 0.00 H new ATOM 331 N GLU A 22 -1.551 -9.142 10.124 1.00 0.00 N ATOM 332 CA GLU A 22 -2.369 -9.437 11.290 1.00 0.00 C ATOM 333 C GLU A 22 -1.608 -10.324 12.269 1.00 0.00 C ATOM 334 O GLU A 22 -1.852 -10.285 13.475 1.00 0.00 O ATOM 335 CB GLU A 22 -3.669 -10.116 10.869 1.00 0.00 C ATOM 336 CG GLU A 22 -4.823 -9.862 11.825 1.00 0.00 C ATOM 337 CD GLU A 22 -5.433 -11.144 12.359 1.00 0.00 C ATOM 338 OE1 GLU A 22 -4.668 -12.084 12.661 1.00 0.00 O ATOM 339 OE2 GLU A 22 -6.675 -11.208 12.473 1.00 0.00 O ATOM 0 H GLU A 22 -1.908 -9.529 9.251 1.00 0.00 H new ATOM 0 HA GLU A 22 -2.608 -8.497 11.787 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -3.947 -9.766 9.875 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -3.500 -11.190 10.793 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -4.471 -9.256 12.660 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -5.593 -9.284 11.314 1.00 0.00 H new ATOM 346 N GLU A 23 -0.675 -11.117 11.744 1.00 0.00 N ATOM 347 CA GLU A 23 0.127 -11.999 12.571 1.00 0.00 C ATOM 348 C GLU A 23 1.239 -11.209 13.250 1.00 0.00 C ATOM 349 O GLU A 23 1.583 -11.463 14.405 1.00 0.00 O ATOM 350 CB GLU A 23 0.713 -13.128 11.718 1.00 0.00 C ATOM 351 CG GLU A 23 1.828 -13.899 12.402 1.00 0.00 C ATOM 352 CD GLU A 23 1.729 -15.396 12.177 1.00 0.00 C ATOM 353 OE1 GLU A 23 1.703 -15.819 11.001 1.00 0.00 O ATOM 354 OE2 GLU A 23 1.680 -16.144 13.175 1.00 0.00 O ATOM 0 H GLU A 23 -0.460 -11.162 10.748 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.506 -12.439 13.342 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -0.085 -13.821 11.452 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.093 -12.707 10.787 1.00 0.00 H new ATOM 0 HG2 GLU A 23 2.790 -13.543 12.033 1.00 0.00 H new ATOM 0 HG3 GLU A 23 1.802 -13.694 13.472 1.00 0.00 H new ATOM 361 N GLU A 24 1.796 -10.244 12.524 1.00 0.00 N ATOM 362 CA GLU A 24 2.866 -9.413 13.058 1.00 0.00 C ATOM 363 C GLU A 24 2.337 -8.475 14.139 1.00 0.00 C ATOM 364 O GLU A 24 2.887 -8.406 15.238 1.00 0.00 O ATOM 365 CB GLU A 24 3.526 -8.605 11.943 1.00 0.00 C ATOM 366 CG GLU A 24 5.044 -8.694 11.943 1.00 0.00 C ATOM 367 CD GLU A 24 5.648 -8.405 13.303 1.00 0.00 C ATOM 368 OE1 GLU A 24 5.203 -7.438 13.957 1.00 0.00 O ATOM 369 OE2 GLU A 24 6.565 -9.146 13.715 1.00 0.00 O ATOM 0 H GLU A 24 1.524 -10.020 11.567 1.00 0.00 H new ATOM 0 HA GLU A 24 3.612 -10.071 13.504 1.00 0.00 H new ATOM 0 HB2 GLU A 24 3.150 -8.954 10.981 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.232 -7.560 12.040 1.00 0.00 H new ATOM 0 HG2 GLU A 24 5.345 -9.691 11.621 1.00 0.00 H new ATOM 0 HG3 GLU A 24 5.445 -7.989 11.215 1.00 0.00 H new ATOM 376 N GLY A 25 1.267 -7.754 13.816 1.00 0.00 N ATOM 377 CA GLY A 25 0.681 -6.830 14.763 1.00 0.00 C ATOM 378 C GLY A 25 0.215 -5.545 14.108 1.00 0.00 C ATOM 379 O GLY A 25 0.670 -4.458 14.466 1.00 0.00 O ATOM 0 H GLY A 25 0.796 -7.796 12.912 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -0.164 -7.309 15.258 1.00 0.00 H new ATOM 0 HA3 GLY A 25 1.412 -6.595 15.537 1.00 0.00 H new ATOM 383 N TYR A 26 -0.692 -5.668 13.145 1.00 0.00 N ATOM 384 CA TYR A 26 -1.217 -4.505 12.437 1.00 0.00 C ATOM 385 C TYR A 26 -2.732 -4.596 12.277 1.00 0.00 C ATOM 386 O TYR A 26 -3.372 -5.508 12.801 1.00 0.00 O ATOM 387 CB TYR A 26 -0.568 -4.382 11.057 1.00 0.00 C ATOM 388 CG TYR A 26 0.940 -4.310 11.091 1.00 0.00 C ATOM 389 CD1 TYR A 26 1.591 -3.146 11.478 1.00 0.00 C ATOM 390 CD2 TYR A 26 1.714 -5.406 10.732 1.00 0.00 C ATOM 391 CE1 TYR A 26 2.970 -3.076 11.507 1.00 0.00 C ATOM 392 CE2 TYR A 26 3.093 -5.345 10.758 1.00 0.00 C ATOM 393 CZ TYR A 26 3.717 -4.177 11.147 1.00 0.00 C ATOM 394 OH TYR A 26 5.091 -4.111 11.175 1.00 0.00 O ATOM 0 H TYR A 26 -1.079 -6.560 12.837 1.00 0.00 H new ATOM 0 HA TYR A 26 -0.980 -3.622 13.030 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -0.867 -5.236 10.449 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -0.953 -3.489 10.564 1.00 0.00 H new ATOM 0 HD1 TYR A 26 1.009 -2.281 11.761 1.00 0.00 H new ATOM 0 HD2 TYR A 26 1.229 -6.322 10.427 1.00 0.00 H new ATOM 0 HE1 TYR A 26 3.461 -2.163 11.810 1.00 0.00 H new ATOM 0 HE2 TYR A 26 3.680 -6.206 10.476 1.00 0.00 H new ATOM 0 HH TYR A 26 5.384 -3.768 12.045 1.00 0.00 H new ATOM 404 N HIS A 27 -3.291 -3.647 11.535 1.00 0.00 N ATOM 405 CA HIS A 27 -4.725 -3.608 11.280 1.00 0.00 C ATOM 406 C HIS A 27 -4.987 -3.290 9.811 1.00 0.00 C ATOM 407 O HIS A 27 -5.365 -2.171 9.464 1.00 0.00 O ATOM 408 CB HIS A 27 -5.400 -2.568 12.178 1.00 0.00 C ATOM 409 CG HIS A 27 -6.709 -3.025 12.743 1.00 0.00 C ATOM 410 ND1 HIS A 27 -6.821 -3.662 13.961 1.00 0.00 N ATOM 411 CD2 HIS A 27 -7.968 -2.933 12.252 1.00 0.00 C ATOM 412 CE1 HIS A 27 -8.092 -3.943 14.193 1.00 0.00 C ATOM 413 NE2 HIS A 27 -8.806 -3.510 13.172 1.00 0.00 N ATOM 0 H HIS A 27 -2.768 -2.889 11.097 1.00 0.00 H new ATOM 0 HA HIS A 27 -5.147 -4.587 11.509 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -4.727 -2.317 12.998 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -5.560 -1.654 11.605 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -8.258 -2.488 11.312 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -8.479 -4.442 15.069 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -9.819 -3.591 13.081 1.00 0.00 H new ATOM 422 N PRO A 28 -4.775 -4.276 8.923 1.00 0.00 N ATOM 423 CA PRO A 28 -4.976 -4.100 7.482 1.00 0.00 C ATOM 424 C PRO A 28 -6.373 -3.596 7.142 1.00 0.00 C ATOM 425 O PRO A 28 -7.332 -3.851 7.870 1.00 0.00 O ATOM 426 CB PRO A 28 -4.756 -5.502 6.912 1.00 0.00 C ATOM 427 CG PRO A 28 -3.916 -6.201 7.924 1.00 0.00 C ATOM 428 CD PRO A 28 -4.315 -5.635 9.257 1.00 0.00 C ATOM 0 HA PRO A 28 -4.300 -3.350 7.071 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -5.703 -6.019 6.760 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -4.256 -5.461 5.944 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -4.082 -7.278 7.892 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -2.856 -6.036 7.732 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -5.105 -6.224 9.724 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -3.477 -5.616 9.954 1.00 0.00 H new ATOM 436 N ASP A 29 -6.477 -2.871 6.031 1.00 0.00 N ATOM 437 CA ASP A 29 -7.764 -2.327 5.610 1.00 0.00 C ATOM 438 C ASP A 29 -8.065 -2.567 4.141 1.00 0.00 C ATOM 439 O ASP A 29 -9.053 -2.053 3.621 1.00 0.00 O ATOM 440 CB ASP A 29 -7.850 -0.839 5.935 1.00 0.00 C ATOM 441 CG ASP A 29 -9.166 -0.465 6.588 1.00 0.00 C ATOM 442 OD1 ASP A 29 -10.226 -0.724 5.980 1.00 0.00 O ATOM 443 OD2 ASP A 29 -9.137 0.086 7.708 1.00 0.00 O ATOM 0 H ASP A 29 -5.696 -2.649 5.413 1.00 0.00 H new ATOM 0 HA ASP A 29 -8.525 -2.866 6.175 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -7.028 -0.567 6.598 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -7.725 -0.262 5.019 1.00 0.00 H new ATOM 448 N THR A 30 -7.204 -3.331 3.487 1.00 0.00 N ATOM 449 CA THR A 30 -7.320 -3.669 2.056 1.00 0.00 C ATOM 450 C THR A 30 -8.524 -3.050 1.350 1.00 0.00 C ATOM 451 O THR A 30 -9.671 -3.219 1.765 1.00 0.00 O ATOM 452 CB THR A 30 -7.361 -5.185 1.870 1.00 0.00 C ATOM 453 OG1 THR A 30 -8.669 -5.683 2.087 1.00 0.00 O ATOM 454 CG2 THR A 30 -6.427 -5.933 2.797 1.00 0.00 C ATOM 0 H THR A 30 -6.387 -3.746 3.934 1.00 0.00 H new ATOM 0 HA THR A 30 -6.433 -3.238 1.591 1.00 0.00 H new ATOM 0 HB THR A 30 -7.037 -5.354 0.843 1.00 0.00 H new ATOM 0 HG1 THR A 30 -9.295 -4.933 2.170 1.00 0.00 H new ATOM 0 HG21 THR A 30 -6.509 -7.004 2.609 1.00 0.00 H new ATOM 0 HG22 THR A 30 -5.401 -5.610 2.618 1.00 0.00 H new ATOM 0 HG23 THR A 30 -6.698 -5.724 3.832 1.00 0.00 H new ATOM 462 N ALA A 31 -8.241 -2.360 0.251 1.00 0.00 N ATOM 463 CA ALA A 31 -9.271 -1.730 -0.561 1.00 0.00 C ATOM 464 C ALA A 31 -9.080 -2.093 -2.029 1.00 0.00 C ATOM 465 O ALA A 31 -8.025 -2.596 -2.416 1.00 0.00 O ATOM 466 CB ALA A 31 -9.233 -0.220 -0.382 1.00 0.00 C ATOM 0 H ALA A 31 -7.293 -2.223 -0.100 1.00 0.00 H new ATOM 0 HA ALA A 31 -10.245 -2.095 -0.235 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -10.009 0.239 -0.995 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -9.405 0.027 0.666 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -8.258 0.158 -0.688 1.00 0.00 H new ATOM 472 N LYS A 32 -10.091 -1.832 -2.848 1.00 0.00 N ATOM 473 CA LYS A 32 -10.000 -2.133 -4.272 1.00 0.00 C ATOM 474 C LYS A 32 -9.199 -1.049 -4.985 1.00 0.00 C ATOM 475 O LYS A 32 -8.463 -0.300 -4.348 1.00 0.00 O ATOM 476 CB LYS A 32 -11.395 -2.261 -4.890 1.00 0.00 C ATOM 477 CG LYS A 32 -12.369 -3.053 -4.033 1.00 0.00 C ATOM 478 CD LYS A 32 -13.737 -3.151 -4.689 1.00 0.00 C ATOM 479 CE LYS A 32 -13.768 -4.237 -5.753 1.00 0.00 C ATOM 480 NZ LYS A 32 -14.631 -3.860 -6.906 1.00 0.00 N ATOM 0 H LYS A 32 -10.975 -1.417 -2.555 1.00 0.00 H new ATOM 0 HA LYS A 32 -9.487 -3.087 -4.392 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -11.801 -1.264 -5.060 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -11.309 -2.740 -5.865 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -11.974 -4.054 -3.862 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -12.466 -2.578 -3.057 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -14.491 -3.361 -3.931 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -13.996 -2.192 -5.138 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -12.755 -4.429 -6.106 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -14.134 -5.165 -5.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -14.625 -4.626 -7.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -15.604 -3.702 -6.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -14.267 -2.988 -7.341 1.00 0.00 H new ATOM 494 N THR A 33 -9.316 -0.987 -6.307 1.00 0.00 N ATOM 495 CA THR A 33 -8.567 -0.013 -7.095 1.00 0.00 C ATOM 496 C THR A 33 -8.676 1.392 -6.512 1.00 0.00 C ATOM 497 O THR A 33 -9.481 1.649 -5.616 1.00 0.00 O ATOM 498 CB THR A 33 -9.065 -0.012 -8.542 1.00 0.00 C ATOM 499 OG1 THR A 33 -9.583 -1.283 -8.894 1.00 0.00 O ATOM 500 CG2 THR A 33 -7.988 0.339 -9.545 1.00 0.00 C ATOM 0 H THR A 33 -9.921 -1.598 -6.855 1.00 0.00 H new ATOM 0 HA THR A 33 -7.518 -0.307 -7.068 1.00 0.00 H new ATOM 0 HB THR A 33 -9.839 0.755 -8.581 1.00 0.00 H new ATOM 0 HG1 THR A 33 -9.007 -1.694 -9.572 1.00 0.00 H new ATOM 0 HG21 THR A 33 -8.408 0.322 -10.551 1.00 0.00 H new ATOM 0 HG22 THR A 33 -7.602 1.335 -9.330 1.00 0.00 H new ATOM 0 HG23 THR A 33 -7.178 -0.387 -9.478 1.00 0.00 H new ATOM 508 N LEU A 34 -7.833 2.288 -7.025 1.00 0.00 N ATOM 509 CA LEU A 34 -7.781 3.679 -6.573 1.00 0.00 C ATOM 510 C LEU A 34 -9.162 4.225 -6.223 1.00 0.00 C ATOM 511 O LEU A 34 -9.307 5.008 -5.285 1.00 0.00 O ATOM 512 CB LEU A 34 -7.126 4.557 -7.644 1.00 0.00 C ATOM 513 CG LEU A 34 -5.849 3.981 -8.261 1.00 0.00 C ATOM 514 CD1 LEU A 34 -5.257 4.950 -9.275 1.00 0.00 C ATOM 515 CD2 LEU A 34 -4.834 3.653 -7.176 1.00 0.00 C ATOM 0 H LEU A 34 -7.167 2.070 -7.766 1.00 0.00 H new ATOM 0 HA LEU A 34 -7.181 3.702 -5.663 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -7.849 4.733 -8.440 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -6.894 5.527 -7.205 1.00 0.00 H new ATOM 0 HG LEU A 34 -6.106 3.059 -8.782 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -4.350 4.521 -9.702 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -5.981 5.132 -10.069 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -5.016 5.891 -8.781 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -3.932 3.245 -7.633 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -4.583 4.560 -6.626 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -5.258 2.919 -6.491 1.00 0.00 H new ATOM 527 N ARG A 35 -10.177 3.802 -6.969 1.00 0.00 N ATOM 528 CA ARG A 35 -11.540 4.252 -6.711 1.00 0.00 C ATOM 529 C ARG A 35 -11.916 3.983 -5.256 1.00 0.00 C ATOM 530 O ARG A 35 -12.155 4.910 -4.479 1.00 0.00 O ATOM 531 CB ARG A 35 -12.522 3.546 -7.647 1.00 0.00 C ATOM 532 CG ARG A 35 -12.426 4.011 -9.090 1.00 0.00 C ATOM 533 CD ARG A 35 -13.514 3.388 -9.950 1.00 0.00 C ATOM 534 NE ARG A 35 -13.257 1.976 -10.219 1.00 0.00 N ATOM 535 CZ ARG A 35 -14.179 1.127 -10.670 1.00 0.00 C ATOM 536 NH1 ARG A 35 -15.417 1.545 -10.906 1.00 0.00 N ATOM 537 NH2 ARG A 35 -13.862 -0.142 -10.888 1.00 0.00 N ATOM 0 H ARG A 35 -10.083 3.154 -7.751 1.00 0.00 H new ATOM 0 HA ARG A 35 -11.592 5.325 -6.897 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -12.341 2.472 -7.607 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -13.537 3.712 -7.287 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -12.507 5.097 -9.129 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -11.448 3.750 -9.493 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -14.476 3.492 -9.449 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -13.585 3.930 -10.893 1.00 0.00 H new ATOM 0 HE ARG A 35 -12.316 1.619 -10.052 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -15.666 2.520 -10.742 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -16.119 0.891 -11.251 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -12.912 -0.468 -10.710 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -14.568 -0.792 -11.233 1.00 0.00 H new ATOM 551 N GLU A 36 -11.948 2.705 -4.894 1.00 0.00 N ATOM 552 CA GLU A 36 -12.278 2.307 -3.533 1.00 0.00 C ATOM 553 C GLU A 36 -11.212 2.796 -2.559 1.00 0.00 C ATOM 554 O GLU A 36 -11.515 3.139 -1.417 1.00 0.00 O ATOM 555 CB GLU A 36 -12.409 0.787 -3.439 1.00 0.00 C ATOM 556 CG GLU A 36 -13.743 0.260 -3.937 1.00 0.00 C ATOM 557 CD GLU A 36 -13.949 0.500 -5.419 1.00 0.00 C ATOM 558 OE1 GLU A 36 -13.443 -0.306 -6.228 1.00 0.00 O ATOM 559 OE2 GLU A 36 -14.618 1.494 -5.773 1.00 0.00 O ATOM 0 H GLU A 36 -11.749 1.928 -5.525 1.00 0.00 H new ATOM 0 HA GLU A 36 -13.232 2.762 -3.267 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -11.607 0.325 -4.015 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -12.272 0.482 -2.401 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -13.806 -0.809 -3.734 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -14.549 0.738 -3.380 1.00 0.00 H new ATOM 566 N ALA A 37 -9.963 2.828 -3.018 1.00 0.00 N ATOM 567 CA ALA A 37 -8.864 3.281 -2.178 1.00 0.00 C ATOM 568 C ALA A 37 -9.047 4.737 -1.793 1.00 0.00 C ATOM 569 O ALA A 37 -9.237 5.056 -0.620 1.00 0.00 O ATOM 570 CB ALA A 37 -7.532 3.081 -2.888 1.00 0.00 C ATOM 0 H ALA A 37 -9.691 2.547 -3.960 1.00 0.00 H new ATOM 0 HA ALA A 37 -8.863 2.684 -1.266 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -6.722 3.425 -2.245 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -7.394 2.023 -3.111 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -7.526 3.651 -3.817 1.00 0.00 H new ATOM 576 N GLU A 38 -8.989 5.622 -2.785 1.00 0.00 N ATOM 577 CA GLU A 38 -9.151 7.052 -2.544 1.00 0.00 C ATOM 578 C GLU A 38 -10.295 7.303 -1.574 1.00 0.00 C ATOM 579 O GLU A 38 -10.180 8.118 -0.660 1.00 0.00 O ATOM 580 CB GLU A 38 -9.394 7.797 -3.852 1.00 0.00 C ATOM 581 CG GLU A 38 -8.122 8.309 -4.507 1.00 0.00 C ATOM 582 CD GLU A 38 -8.324 9.634 -5.215 1.00 0.00 C ATOM 583 OE1 GLU A 38 -9.254 10.376 -4.835 1.00 0.00 O ATOM 584 OE2 GLU A 38 -7.552 9.930 -6.151 1.00 0.00 O ATOM 0 H GLU A 38 -8.831 5.374 -3.762 1.00 0.00 H new ATOM 0 HA GLU A 38 -8.229 7.428 -2.100 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -9.909 7.134 -4.547 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -10.059 8.639 -3.662 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -7.347 8.421 -3.749 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -7.763 7.570 -5.223 1.00 0.00 H new ATOM 591 N LYS A 39 -11.390 6.575 -1.763 1.00 0.00 N ATOM 592 CA LYS A 39 -12.538 6.707 -0.879 1.00 0.00 C ATOM 593 C LYS A 39 -12.134 6.337 0.544 1.00 0.00 C ATOM 594 O LYS A 39 -12.379 7.087 1.489 1.00 0.00 O ATOM 595 CB LYS A 39 -13.683 5.812 -1.351 1.00 0.00 C ATOM 596 CG LYS A 39 -14.968 6.000 -0.560 1.00 0.00 C ATOM 597 CD LYS A 39 -14.943 5.208 0.736 1.00 0.00 C ATOM 598 CE LYS A 39 -16.348 4.925 1.243 1.00 0.00 C ATOM 599 NZ LYS A 39 -16.799 5.945 2.230 1.00 0.00 N ATOM 0 H LYS A 39 -11.505 5.894 -2.514 1.00 0.00 H new ATOM 0 HA LYS A 39 -12.881 7.741 -0.898 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -13.881 6.014 -2.404 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -13.372 4.770 -1.280 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -15.109 7.058 -0.339 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -15.818 5.684 -1.164 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -14.415 4.267 0.579 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -14.387 5.763 1.492 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -17.040 4.904 0.401 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -16.376 3.937 1.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -17.646 5.599 2.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -16.041 6.118 2.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -17.025 6.831 1.735 1.00 0.00 H new ATOM 613 N LYS A 40 -11.507 5.171 0.683 1.00 0.00 N ATOM 614 CA LYS A 40 -11.060 4.691 1.984 1.00 0.00 C ATOM 615 C LYS A 40 -9.981 5.602 2.568 1.00 0.00 C ATOM 616 O LYS A 40 -9.912 5.797 3.780 1.00 0.00 O ATOM 617 CB LYS A 40 -10.527 3.265 1.865 1.00 0.00 C ATOM 618 CG LYS A 40 -11.603 2.236 1.560 1.00 0.00 C ATOM 619 CD LYS A 40 -12.405 1.885 2.802 1.00 0.00 C ATOM 620 CE LYS A 40 -11.819 0.683 3.526 1.00 0.00 C ATOM 621 NZ LYS A 40 -12.837 -0.377 3.760 1.00 0.00 N ATOM 0 H LYS A 40 -11.298 4.542 -0.092 1.00 0.00 H new ATOM 0 HA LYS A 40 -11.917 4.700 2.658 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -9.772 3.233 1.079 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -10.030 2.993 2.796 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -12.272 2.624 0.791 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -11.142 1.335 1.156 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -12.426 2.741 3.476 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -13.437 1.674 2.522 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -10.996 0.273 2.940 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -11.402 1.003 4.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -12.396 -1.178 4.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -13.610 0.006 4.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -13.217 -0.701 2.848 1.00 0.00 H new ATOM 635 N ILE A 41 -9.138 6.152 1.698 1.00 0.00 N ATOM 636 CA ILE A 41 -8.060 7.033 2.134 1.00 0.00 C ATOM 637 C ILE A 41 -8.528 8.480 2.268 1.00 0.00 C ATOM 638 O ILE A 41 -7.780 9.337 2.736 1.00 0.00 O ATOM 639 CB ILE A 41 -6.871 6.985 1.160 1.00 0.00 C ATOM 640 CG1 ILE A 41 -6.490 5.536 0.857 1.00 0.00 C ATOM 641 CG2 ILE A 41 -5.684 7.744 1.733 1.00 0.00 C ATOM 642 CD1 ILE A 41 -5.514 5.395 -0.291 1.00 0.00 C ATOM 0 H ILE A 41 -9.181 6.003 0.690 1.00 0.00 H new ATOM 0 HA ILE A 41 -7.745 6.671 3.112 1.00 0.00 H new ATOM 0 HB ILE A 41 -7.166 7.465 0.227 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -6.054 5.089 1.751 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -7.394 4.972 0.626 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -4.851 7.700 1.031 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -5.964 8.784 1.900 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -5.386 7.292 2.679 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -5.289 4.340 -0.450 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -5.955 5.812 -1.197 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -4.595 5.931 -0.055 1.00 0.00 H new ATOM 654 N LYS A 42 -9.765 8.751 1.861 1.00 0.00 N ATOM 655 CA LYS A 42 -10.315 10.098 1.948 1.00 0.00 C ATOM 656 C LYS A 42 -11.109 10.276 3.237 1.00 0.00 C ATOM 657 O LYS A 42 -12.078 11.036 3.280 1.00 0.00 O ATOM 658 CB LYS A 42 -11.203 10.389 0.742 1.00 0.00 C ATOM 659 CG LYS A 42 -10.468 11.058 -0.408 1.00 0.00 C ATOM 660 CD LYS A 42 -11.396 11.947 -1.223 1.00 0.00 C ATOM 661 CE LYS A 42 -11.356 11.592 -2.701 1.00 0.00 C ATOM 662 NZ LYS A 42 -11.954 10.254 -2.967 1.00 0.00 N ATOM 0 H LYS A 42 -10.403 8.058 1.469 1.00 0.00 H new ATOM 0 HA LYS A 42 -9.484 10.804 1.953 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -11.639 9.455 0.389 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -12.029 11.028 1.055 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -9.643 11.654 -0.016 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -10.032 10.296 -1.054 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -12.416 11.847 -0.852 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -11.110 12.990 -1.091 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -11.894 12.350 -3.271 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -10.323 11.604 -3.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -11.772 9.983 -3.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -11.528 9.551 -2.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -12.980 10.293 -2.802 1.00 0.00 H new ATOM 676 N GLU A 43 -10.695 9.572 4.285 1.00 0.00 N ATOM 677 CA GLU A 43 -11.374 9.656 5.573 1.00 0.00 C ATOM 678 C GLU A 43 -10.406 9.409 6.727 1.00 0.00 C ATOM 679 O GLU A 43 -10.323 10.208 7.659 1.00 0.00 O ATOM 680 CB GLU A 43 -12.523 8.648 5.633 1.00 0.00 C ATOM 681 CG GLU A 43 -13.522 8.796 4.498 1.00 0.00 C ATOM 682 CD GLU A 43 -14.639 7.771 4.566 1.00 0.00 C ATOM 683 OE1 GLU A 43 -14.349 6.567 4.404 1.00 0.00 O ATOM 684 OE2 GLU A 43 -15.801 8.173 4.781 1.00 0.00 O ATOM 0 H GLU A 43 -9.895 8.939 4.268 1.00 0.00 H new ATOM 0 HA GLU A 43 -11.774 10.665 5.674 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -12.111 7.639 5.614 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -13.046 8.761 6.583 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -13.951 9.798 4.525 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -13.001 8.698 3.545 1.00 0.00 H new ATOM 691 N LEU A 44 -9.681 8.296 6.664 1.00 0.00 N ATOM 692 CA LEU A 44 -8.729 7.948 7.709 1.00 0.00 C ATOM 693 C LEU A 44 -7.296 8.230 7.258 1.00 0.00 C ATOM 694 O LEU A 44 -7.000 8.242 6.063 1.00 0.00 O ATOM 695 CB LEU A 44 -8.894 6.472 8.092 1.00 0.00 C ATOM 696 CG LEU A 44 -7.651 5.792 8.668 1.00 0.00 C ATOM 697 CD1 LEU A 44 -8.046 4.668 9.611 1.00 0.00 C ATOM 698 CD2 LEU A 44 -6.773 5.268 7.545 1.00 0.00 C ATOM 0 H LEU A 44 -9.736 7.622 5.901 1.00 0.00 H new ATOM 0 HA LEU A 44 -8.931 8.566 8.584 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -9.700 6.393 8.822 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -9.210 5.920 7.207 1.00 0.00 H new ATOM 0 HG LEU A 44 -7.083 6.528 9.237 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -7.148 4.196 10.011 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -8.639 5.073 10.431 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -8.634 3.928 9.069 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -5.891 4.786 7.967 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.333 4.545 6.952 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -6.464 6.097 6.908 1.00 0.00 H new ATOM 710 N PHE A 45 -6.413 8.453 8.226 1.00 0.00 N ATOM 711 CA PHE A 45 -5.010 8.731 7.938 1.00 0.00 C ATOM 712 C PHE A 45 -4.188 7.447 7.979 1.00 0.00 C ATOM 713 O PHE A 45 -3.627 7.089 9.014 1.00 0.00 O ATOM 714 CB PHE A 45 -4.454 9.740 8.944 1.00 0.00 C ATOM 715 CG PHE A 45 -3.126 10.319 8.546 1.00 0.00 C ATOM 716 CD1 PHE A 45 -3.040 11.258 7.531 1.00 0.00 C ATOM 717 CD2 PHE A 45 -1.963 9.926 9.190 1.00 0.00 C ATOM 718 CE1 PHE A 45 -1.819 11.794 7.165 1.00 0.00 C ATOM 719 CE2 PHE A 45 -0.739 10.459 8.829 1.00 0.00 C ATOM 720 CZ PHE A 45 -0.668 11.394 7.815 1.00 0.00 C ATOM 0 H PHE A 45 -6.645 8.447 9.219 1.00 0.00 H new ATOM 0 HA PHE A 45 -4.943 9.154 6.936 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -5.172 10.551 9.067 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -4.353 9.254 9.914 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -3.937 11.575 7.020 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -2.013 9.195 9.983 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -1.766 12.525 6.372 1.00 0.00 H new ATOM 0 HE2 PHE A 45 0.160 10.145 9.339 1.00 0.00 H new ATOM 0 HZ PHE A 45 0.286 11.812 7.531 1.00 0.00 H new ATOM 730 N PHE A 46 -4.125 6.754 6.846 1.00 0.00 N ATOM 731 CA PHE A 46 -3.376 5.506 6.752 1.00 0.00 C ATOM 732 C PHE A 46 -1.869 5.759 6.824 1.00 0.00 C ATOM 733 O PHE A 46 -1.327 6.537 6.039 1.00 0.00 O ATOM 734 CB PHE A 46 -3.714 4.784 5.447 1.00 0.00 C ATOM 735 CG PHE A 46 -4.979 3.977 5.510 1.00 0.00 C ATOM 736 CD1 PHE A 46 -5.056 2.843 6.305 1.00 0.00 C ATOM 737 CD2 PHE A 46 -6.090 4.349 4.771 1.00 0.00 C ATOM 738 CE1 PHE A 46 -6.218 2.098 6.362 1.00 0.00 C ATOM 739 CE2 PHE A 46 -7.255 3.608 4.824 1.00 0.00 C ATOM 740 CZ PHE A 46 -7.320 2.482 5.621 1.00 0.00 C ATOM 0 H PHE A 46 -4.584 7.036 5.980 1.00 0.00 H new ATOM 0 HA PHE A 46 -3.662 4.880 7.598 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -3.803 5.520 4.648 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -2.887 4.125 5.182 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -4.198 2.539 6.886 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -6.045 5.229 4.146 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -6.265 1.217 6.985 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -8.114 3.909 4.243 1.00 0.00 H new ATOM 0 HZ PHE A 46 -8.230 1.902 5.665 1.00 0.00 H new ATOM 750 N PRO A 47 -1.168 5.096 7.763 1.00 0.00 N ATOM 751 CA PRO A 47 0.281 5.249 7.921 1.00 0.00 C ATOM 752 C PRO A 47 1.058 4.473 6.862 1.00 0.00 C ATOM 753 O PRO A 47 2.184 4.828 6.514 1.00 0.00 O ATOM 754 CB PRO A 47 0.539 4.662 9.307 1.00 0.00 C ATOM 755 CG PRO A 47 -0.516 3.627 9.473 1.00 0.00 C ATOM 756 CD PRO A 47 -1.728 4.140 8.741 1.00 0.00 C ATOM 0 HA PRO A 47 0.603 6.284 7.811 1.00 0.00 H new ATOM 0 HB2 PRO A 47 1.536 4.227 9.375 1.00 0.00 H new ATOM 0 HB3 PRO A 47 0.471 5.426 10.081 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -0.190 2.670 9.064 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -0.738 3.464 10.527 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -2.269 3.333 8.247 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -2.430 4.626 9.419 1.00 0.00 H new ATOM 764 N VAL A 48 0.440 3.414 6.350 1.00 0.00 N ATOM 765 CA VAL A 48 1.060 2.583 5.329 1.00 0.00 C ATOM 766 C VAL A 48 0.054 2.173 4.261 1.00 0.00 C ATOM 767 O VAL A 48 -1.037 1.695 4.566 1.00 0.00 O ATOM 768 CB VAL A 48 1.679 1.318 5.940 1.00 0.00 C ATOM 769 CG1 VAL A 48 2.683 0.693 4.983 1.00 0.00 C ATOM 770 CG2 VAL A 48 2.329 1.650 7.267 1.00 0.00 C ATOM 0 H VAL A 48 -0.494 3.111 6.628 1.00 0.00 H new ATOM 0 HA VAL A 48 1.846 3.183 4.871 1.00 0.00 H new ATOM 0 HB VAL A 48 0.888 0.589 6.114 1.00 0.00 H new ATOM 0 HG11 VAL A 48 3.109 -0.202 5.436 1.00 0.00 H new ATOM 0 HG12 VAL A 48 2.181 0.425 4.053 1.00 0.00 H new ATOM 0 HG13 VAL A 48 3.479 1.408 4.773 1.00 0.00 H new ATOM 0 HG21 VAL A 48 2.766 0.747 7.694 1.00 0.00 H new ATOM 0 HG22 VAL A 48 3.111 2.394 7.113 1.00 0.00 H new ATOM 0 HG23 VAL A 48 1.579 2.048 7.950 1.00 0.00 H new ATOM 780 N ILE A 49 0.442 2.360 3.010 1.00 0.00 N ATOM 781 CA ILE A 49 -0.400 2.010 1.877 1.00 0.00 C ATOM 782 C ILE A 49 0.292 0.982 0.992 1.00 0.00 C ATOM 783 O ILE A 49 1.520 0.917 0.943 1.00 0.00 O ATOM 784 CB ILE A 49 -0.749 3.247 1.023 1.00 0.00 C ATOM 785 CG1 ILE A 49 -1.031 4.457 1.915 1.00 0.00 C ATOM 786 CG2 ILE A 49 -1.945 2.952 0.129 1.00 0.00 C ATOM 787 CD1 ILE A 49 -2.244 4.286 2.802 1.00 0.00 C ATOM 0 H ILE A 49 1.345 2.757 2.752 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.321 1.591 2.283 1.00 0.00 H new ATOM 0 HB ILE A 49 0.107 3.482 0.391 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.159 4.648 2.540 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.172 5.336 1.286 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.180 3.834 -0.467 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.708 2.119 -0.533 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -2.805 2.692 0.746 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -2.382 5.183 3.406 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -3.127 4.125 2.184 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.098 3.427 3.457 1.00 0.00 H new ATOM 799 N VAL A 50 -0.501 0.187 0.291 1.00 0.00 N ATOM 800 CA VAL A 50 0.035 -0.833 -0.600 1.00 0.00 C ATOM 801 C VAL A 50 -0.827 -0.956 -1.846 1.00 0.00 C ATOM 802 O VAL A 50 -1.939 -1.475 -1.797 1.00 0.00 O ATOM 803 CB VAL A 50 0.129 -2.201 0.101 1.00 0.00 C ATOM 804 CG1 VAL A 50 0.748 -3.243 -0.822 1.00 0.00 C ATOM 805 CG2 VAL A 50 0.931 -2.073 1.386 1.00 0.00 C ATOM 0 H VAL A 50 -1.520 0.228 0.321 1.00 0.00 H new ATOM 0 HA VAL A 50 1.041 -0.524 -0.884 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.879 -2.534 0.350 1.00 0.00 H new ATOM 0 HG11 VAL A 50 0.804 -4.201 -0.304 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.133 -3.349 -1.716 1.00 0.00 H new ATOM 0 HG13 VAL A 50 1.751 -2.926 -1.108 1.00 0.00 H new ATOM 0 HG21 VAL A 50 0.992 -3.045 1.875 1.00 0.00 H new ATOM 0 HG22 VAL A 50 1.936 -1.719 1.154 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.441 -1.362 2.052 1.00 0.00 H new ATOM 815 N LEU A 51 -0.306 -0.466 -2.959 1.00 0.00 N ATOM 816 CA LEU A 51 -1.032 -0.509 -4.221 1.00 0.00 C ATOM 817 C LEU A 51 -0.605 -1.706 -5.064 1.00 0.00 C ATOM 818 O LEU A 51 0.269 -1.592 -5.922 1.00 0.00 O ATOM 819 CB LEU A 51 -0.812 0.787 -5.005 1.00 0.00 C ATOM 820 CG LEU A 51 -1.475 0.833 -6.382 1.00 0.00 C ATOM 821 CD1 LEU A 51 -2.965 0.555 -6.266 1.00 0.00 C ATOM 822 CD2 LEU A 51 -1.232 2.180 -7.046 1.00 0.00 C ATOM 0 H LEU A 51 0.616 -0.034 -3.016 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.093 -0.614 -3.993 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.186 1.621 -4.411 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.260 0.940 -5.130 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.029 0.058 -7.005 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -3.420 0.592 -7.256 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -3.118 -0.433 -5.833 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.427 1.307 -5.626 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.711 2.195 -8.025 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.650 2.972 -6.425 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.160 2.339 -7.164 1.00 0.00 H new ATOM 834 N ASP A 52 -1.233 -2.848 -4.816 1.00 0.00 N ATOM 835 CA ASP A 52 -0.927 -4.066 -5.554 1.00 0.00 C ATOM 836 C ASP A 52 -1.371 -3.936 -7.010 1.00 0.00 C ATOM 837 O ASP A 52 -2.357 -4.544 -7.425 1.00 0.00 O ATOM 838 CB ASP A 52 -1.610 -5.269 -4.900 1.00 0.00 C ATOM 839 CG ASP A 52 -0.721 -6.497 -4.879 1.00 0.00 C ATOM 840 OD1 ASP A 52 -0.689 -7.224 -5.894 1.00 0.00 O ATOM 841 OD2 ASP A 52 -0.058 -6.734 -3.847 1.00 0.00 O ATOM 0 H ASP A 52 -1.959 -2.956 -4.108 1.00 0.00 H new ATOM 0 HA ASP A 52 0.152 -4.220 -5.532 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -1.894 -5.012 -3.880 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -2.529 -5.499 -5.438 1.00 0.00 H new ATOM 846 N VAL A 53 -0.638 -3.131 -7.776 1.00 0.00 N ATOM 847 CA VAL A 53 -0.952 -2.907 -9.186 1.00 0.00 C ATOM 848 C VAL A 53 -1.077 -4.222 -9.953 1.00 0.00 C ATOM 849 O VAL A 53 -0.121 -4.680 -10.578 1.00 0.00 O ATOM 850 CB VAL A 53 0.117 -2.019 -9.867 1.00 0.00 C ATOM 851 CG1 VAL A 53 1.515 -2.561 -9.620 1.00 0.00 C ATOM 852 CG2 VAL A 53 -0.152 -1.904 -11.360 1.00 0.00 C ATOM 0 H VAL A 53 0.180 -2.621 -7.443 1.00 0.00 H new ATOM 0 HA VAL A 53 -1.913 -2.393 -9.212 1.00 0.00 H new ATOM 0 HB VAL A 53 0.056 -1.024 -9.426 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.246 -1.918 -10.110 1.00 0.00 H new ATOM 0 HG12 VAL A 53 1.712 -2.584 -8.548 1.00 0.00 H new ATOM 0 HG13 VAL A 53 1.591 -3.570 -10.025 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.611 -1.276 -11.820 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -0.126 -2.896 -11.812 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -1.134 -1.458 -11.520 1.00 0.00 H new ATOM 862 N TRP A 54 -2.265 -4.819 -9.914 1.00 0.00 N ATOM 863 CA TRP A 54 -2.512 -6.070 -10.619 1.00 0.00 C ATOM 864 C TRP A 54 -2.569 -5.822 -12.125 1.00 0.00 C ATOM 865 O TRP A 54 -1.589 -6.043 -12.837 1.00 0.00 O ATOM 866 CB TRP A 54 -3.818 -6.705 -10.128 1.00 0.00 C ATOM 867 CG TRP A 54 -4.209 -7.939 -10.883 1.00 0.00 C ATOM 868 CD1 TRP A 54 -5.431 -8.214 -11.424 1.00 0.00 C ATOM 869 CD2 TRP A 54 -3.375 -9.065 -11.178 1.00 0.00 C ATOM 870 NE1 TRP A 54 -5.408 -9.442 -12.039 1.00 0.00 N ATOM 871 CE2 TRP A 54 -4.157 -9.985 -11.901 1.00 0.00 C ATOM 872 CE3 TRP A 54 -2.042 -9.386 -10.901 1.00 0.00 C ATOM 873 CZ2 TRP A 54 -3.651 -11.202 -12.351 1.00 0.00 C ATOM 874 CZ3 TRP A 54 -1.541 -10.594 -11.348 1.00 0.00 C ATOM 875 CH2 TRP A 54 -2.344 -11.489 -12.066 1.00 0.00 C ATOM 0 H TRP A 54 -3.069 -4.456 -9.402 1.00 0.00 H new ATOM 0 HA TRP A 54 -1.694 -6.760 -10.412 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -3.716 -6.953 -9.072 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -4.621 -5.972 -10.207 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -6.290 -7.562 -11.376 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -6.194 -9.879 -12.520 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -1.416 -8.702 -10.348 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -4.268 -11.894 -12.905 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -0.513 -10.852 -11.140 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -1.923 -12.425 -12.402 1.00 0.00 H new ATOM 886 N MET A 55 -3.716 -5.345 -12.600 1.00 0.00 N ATOM 887 CA MET A 55 -3.892 -5.047 -14.016 1.00 0.00 C ATOM 888 C MET A 55 -5.075 -4.100 -14.227 1.00 0.00 C ATOM 889 O MET A 55 -5.993 -4.404 -14.990 1.00 0.00 O ATOM 890 CB MET A 55 -4.101 -6.338 -14.812 1.00 0.00 C ATOM 891 CG MET A 55 -5.227 -7.208 -14.279 1.00 0.00 C ATOM 892 SD MET A 55 -6.383 -7.719 -15.565 1.00 0.00 S ATOM 893 CE MET A 55 -5.401 -8.935 -16.439 1.00 0.00 C ATOM 0 H MET A 55 -4.537 -5.157 -12.024 1.00 0.00 H new ATOM 0 HA MET A 55 -2.988 -4.556 -14.375 1.00 0.00 H new ATOM 0 HB2 MET A 55 -4.311 -6.084 -15.851 1.00 0.00 H new ATOM 0 HB3 MET A 55 -3.175 -6.913 -14.805 1.00 0.00 H new ATOM 0 HG2 MET A 55 -4.803 -8.093 -13.805 1.00 0.00 H new ATOM 0 HG3 MET A 55 -5.768 -6.661 -13.507 1.00 0.00 H new ATOM 0 HE1 MET A 55 -5.981 -9.344 -17.266 1.00 0.00 H new ATOM 0 HE2 MET A 55 -4.498 -8.463 -16.827 1.00 0.00 H new ATOM 0 HE3 MET A 55 -5.125 -9.739 -15.756 1.00 0.00 H new ATOM 903 N PRO A 56 -5.070 -2.935 -13.550 1.00 0.00 N ATOM 904 CA PRO A 56 -6.135 -1.946 -13.657 1.00 0.00 C ATOM 905 C PRO A 56 -5.902 -0.972 -14.809 1.00 0.00 C ATOM 906 O PRO A 56 -5.201 -1.290 -15.771 1.00 0.00 O ATOM 907 CB PRO A 56 -6.075 -1.212 -12.304 1.00 0.00 C ATOM 908 CG PRO A 56 -4.843 -1.709 -11.606 1.00 0.00 C ATOM 909 CD PRO A 56 -4.039 -2.475 -12.620 1.00 0.00 C ATOM 0 HA PRO A 56 -7.103 -2.403 -13.864 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -6.030 -0.133 -12.449 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -6.966 -1.417 -11.711 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -4.265 -0.876 -11.205 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -5.109 -2.347 -10.763 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -3.299 -1.845 -13.113 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -3.499 -3.307 -12.167 1.00 0.00 H new ATOM 917 N ASP A 57 -6.491 0.215 -14.706 1.00 0.00 N ATOM 918 CA ASP A 57 -6.344 1.234 -15.738 1.00 0.00 C ATOM 919 C ASP A 57 -6.672 2.620 -15.188 1.00 0.00 C ATOM 920 O ASP A 57 -7.448 3.368 -15.783 1.00 0.00 O ATOM 921 CB ASP A 57 -7.250 0.915 -16.929 1.00 0.00 C ATOM 922 CG ASP A 57 -8.704 0.762 -16.527 1.00 0.00 C ATOM 923 OD1 ASP A 57 -9.062 -0.311 -15.996 1.00 0.00 O ATOM 924 OD2 ASP A 57 -9.484 1.713 -16.742 1.00 0.00 O ATOM 0 H ASP A 57 -7.075 0.495 -13.918 1.00 0.00 H new ATOM 0 HA ASP A 57 -5.306 1.234 -16.069 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -7.163 1.709 -17.671 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -6.909 -0.004 -17.405 1.00 0.00 H new ATOM 929 N GLY A 58 -6.074 2.958 -14.049 1.00 0.00 N ATOM 930 CA GLY A 58 -6.317 4.255 -13.441 1.00 0.00 C ATOM 931 C GLY A 58 -5.049 5.072 -13.272 1.00 0.00 C ATOM 932 O GLY A 58 -5.051 6.092 -12.584 1.00 0.00 O ATOM 0 H GLY A 58 -5.427 2.359 -13.537 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -7.024 4.813 -14.055 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -6.785 4.113 -12.467 1.00 0.00 H new ATOM 936 N ASP A 59 -3.961 4.626 -13.898 1.00 0.00 N ATOM 937 CA ASP A 59 -2.684 5.328 -13.809 1.00 0.00 C ATOM 938 C ASP A 59 -2.307 5.590 -12.353 1.00 0.00 C ATOM 939 O ASP A 59 -2.482 6.697 -11.844 1.00 0.00 O ATOM 940 CB ASP A 59 -2.748 6.648 -14.583 1.00 0.00 C ATOM 941 CG ASP A 59 -1.885 6.628 -15.829 1.00 0.00 C ATOM 942 OD1 ASP A 59 -0.693 6.271 -15.720 1.00 0.00 O ATOM 943 OD2 ASP A 59 -2.402 6.971 -16.914 1.00 0.00 O ATOM 0 H ASP A 59 -3.939 3.783 -14.471 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.916 4.694 -14.253 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -3.781 6.852 -14.863 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -2.426 7.463 -13.934 1.00 0.00 H new ATOM 948 N GLY A 60 -1.795 4.561 -11.687 1.00 0.00 N ATOM 949 CA GLY A 60 -1.406 4.696 -10.295 1.00 0.00 C ATOM 950 C GLY A 60 -0.286 5.698 -10.090 1.00 0.00 C ATOM 951 O GLY A 60 -0.101 6.208 -8.985 1.00 0.00 O ATOM 0 H GLY A 60 -1.642 3.635 -12.086 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -2.272 5.002 -9.709 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -1.091 3.724 -9.915 1.00 0.00 H new ATOM 955 N VAL A 61 0.465 5.982 -11.151 1.00 0.00 N ATOM 956 CA VAL A 61 1.570 6.926 -11.076 1.00 0.00 C ATOM 957 C VAL A 61 1.134 8.246 -10.444 1.00 0.00 C ATOM 958 O VAL A 61 1.829 8.797 -9.590 1.00 0.00 O ATOM 959 CB VAL A 61 2.155 7.204 -12.470 1.00 0.00 C ATOM 960 CG1 VAL A 61 3.408 8.048 -12.355 1.00 0.00 C ATOM 961 CG2 VAL A 61 2.448 5.902 -13.197 1.00 0.00 C ATOM 0 H VAL A 61 0.326 5.569 -12.073 1.00 0.00 H new ATOM 0 HA VAL A 61 2.335 6.469 -10.449 1.00 0.00 H new ATOM 0 HB VAL A 61 1.418 7.758 -13.052 1.00 0.00 H new ATOM 0 HG11 VAL A 61 3.812 8.237 -13.350 1.00 0.00 H new ATOM 0 HG12 VAL A 61 3.165 8.996 -11.875 1.00 0.00 H new ATOM 0 HG13 VAL A 61 4.150 7.518 -11.757 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.861 6.120 -14.182 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.167 5.318 -12.623 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.526 5.332 -13.309 1.00 0.00 H new ATOM 971 N ASN A 62 -0.020 8.748 -10.870 1.00 0.00 N ATOM 972 CA ASN A 62 -0.548 10.001 -10.344 1.00 0.00 C ATOM 973 C ASN A 62 -1.098 9.812 -8.933 1.00 0.00 C ATOM 974 O ASN A 62 -1.164 10.759 -8.150 1.00 0.00 O ATOM 975 CB ASN A 62 -1.643 10.542 -11.266 1.00 0.00 C ATOM 976 CG ASN A 62 -1.230 11.823 -11.965 1.00 0.00 C ATOM 977 OD1 ASN A 62 -1.255 12.902 -11.374 1.00 0.00 O ATOM 978 ND2 ASN A 62 -0.846 11.708 -13.232 1.00 0.00 N ATOM 0 H ASN A 62 -0.607 8.307 -11.578 1.00 0.00 H new ATOM 0 HA ASN A 62 0.269 10.722 -10.300 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -1.891 9.788 -12.013 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -2.547 10.724 -10.684 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -0.556 12.535 -13.754 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -0.841 10.793 -13.682 1.00 0.00 H new ATOM 985 N PHE A 63 -1.494 8.582 -8.615 1.00 0.00 N ATOM 986 CA PHE A 63 -2.040 8.270 -7.299 1.00 0.00 C ATOM 987 C PHE A 63 -1.018 8.550 -6.201 1.00 0.00 C ATOM 988 O PHE A 63 -1.364 9.052 -5.133 1.00 0.00 O ATOM 989 CB PHE A 63 -2.478 6.805 -7.245 1.00 0.00 C ATOM 990 CG PHE A 63 -3.191 6.437 -5.974 1.00 0.00 C ATOM 991 CD1 PHE A 63 -4.155 7.276 -5.439 1.00 0.00 C ATOM 992 CD2 PHE A 63 -2.898 5.252 -5.319 1.00 0.00 C ATOM 993 CE1 PHE A 63 -4.814 6.940 -4.271 1.00 0.00 C ATOM 994 CE2 PHE A 63 -3.554 4.911 -4.152 1.00 0.00 C ATOM 995 CZ PHE A 63 -4.512 5.755 -3.627 1.00 0.00 C ATOM 0 H PHE A 63 -1.447 7.786 -9.251 1.00 0.00 H new ATOM 0 HA PHE A 63 -2.906 8.910 -7.131 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -3.133 6.599 -8.092 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -1.601 6.168 -7.357 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -4.394 8.202 -5.940 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -2.149 4.588 -5.725 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -5.563 7.602 -3.863 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -3.317 3.984 -3.650 1.00 0.00 H new ATOM 0 HZ PHE A 63 -5.025 5.490 -2.714 1.00 0.00 H new ATOM 1005 N ILE A 64 0.243 8.221 -6.472 1.00 0.00 N ATOM 1006 CA ILE A 64 1.320 8.434 -5.506 1.00 0.00 C ATOM 1007 C ILE A 64 1.256 9.835 -4.900 1.00 0.00 C ATOM 1008 O ILE A 64 1.680 10.049 -3.765 1.00 0.00 O ATOM 1009 CB ILE A 64 2.705 8.219 -6.159 1.00 0.00 C ATOM 1010 CG1 ILE A 64 2.864 6.761 -6.594 1.00 0.00 C ATOM 1011 CG2 ILE A 64 3.824 8.617 -5.203 1.00 0.00 C ATOM 1012 CD1 ILE A 64 2.930 6.585 -8.094 1.00 0.00 C ATOM 0 H ILE A 64 0.545 7.805 -7.353 1.00 0.00 H new ATOM 0 HA ILE A 64 1.184 7.701 -4.711 1.00 0.00 H new ATOM 0 HB ILE A 64 2.772 8.856 -7.041 1.00 0.00 H new ATOM 0 HG12 ILE A 64 3.771 6.353 -6.148 1.00 0.00 H new ATOM 0 HG13 ILE A 64 2.028 6.180 -6.204 1.00 0.00 H new ATOM 0 HG21 ILE A 64 4.788 8.457 -5.685 1.00 0.00 H new ATOM 0 HG22 ILE A 64 3.720 9.670 -4.940 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.764 8.010 -4.300 1.00 0.00 H new ATOM 0 HD11 ILE A 64 3.043 5.527 -8.332 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.012 6.962 -8.545 1.00 0.00 H new ATOM 0 HD13 ILE A 64 3.782 7.138 -8.488 1.00 0.00 H new ATOM 1024 N ASP A 65 0.724 10.785 -5.663 1.00 0.00 N ATOM 1025 CA ASP A 65 0.608 12.160 -5.193 1.00 0.00 C ATOM 1026 C ASP A 65 -0.534 12.296 -4.193 1.00 0.00 C ATOM 1027 O ASP A 65 -0.405 12.979 -3.180 1.00 0.00 O ATOM 1028 CB ASP A 65 0.390 13.111 -6.371 1.00 0.00 C ATOM 1029 CG ASP A 65 0.344 14.564 -5.942 1.00 0.00 C ATOM 1030 OD1 ASP A 65 -0.497 14.902 -5.082 1.00 0.00 O ATOM 1031 OD2 ASP A 65 1.149 15.364 -6.464 1.00 0.00 O ATOM 0 H ASP A 65 0.368 10.628 -6.606 1.00 0.00 H new ATOM 0 HA ASP A 65 1.539 12.426 -4.693 1.00 0.00 H new ATOM 0 HB2 ASP A 65 1.192 12.975 -7.097 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -0.542 12.854 -6.874 1.00 0.00 H new ATOM 1036 N PHE A 66 -1.653 11.638 -4.481 1.00 0.00 N ATOM 1037 CA PHE A 66 -2.810 11.686 -3.596 1.00 0.00 C ATOM 1038 C PHE A 66 -2.436 11.194 -2.201 1.00 0.00 C ATOM 1039 O PHE A 66 -2.840 11.778 -1.195 1.00 0.00 O ATOM 1040 CB PHE A 66 -3.950 10.842 -4.181 1.00 0.00 C ATOM 1041 CG PHE A 66 -5.040 10.512 -3.199 1.00 0.00 C ATOM 1042 CD1 PHE A 66 -4.882 9.475 -2.296 1.00 0.00 C ATOM 1043 CD2 PHE A 66 -6.220 11.238 -3.183 1.00 0.00 C ATOM 1044 CE1 PHE A 66 -5.881 9.167 -1.392 1.00 0.00 C ATOM 1045 CE2 PHE A 66 -7.223 10.935 -2.281 1.00 0.00 C ATOM 1046 CZ PHE A 66 -7.053 9.898 -1.384 1.00 0.00 C ATOM 0 H PHE A 66 -1.782 11.068 -5.317 1.00 0.00 H new ATOM 0 HA PHE A 66 -3.148 12.719 -3.511 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -4.386 11.376 -5.025 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -3.535 9.913 -4.572 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -3.968 8.900 -2.298 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -6.358 12.049 -3.883 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -5.745 8.355 -0.692 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -8.138 11.508 -2.278 1.00 0.00 H new ATOM 0 HZ PHE A 66 -7.835 9.659 -0.678 1.00 0.00 H new ATOM 1056 N ILE A 67 -1.653 10.120 -2.148 1.00 0.00 N ATOM 1057 CA ILE A 67 -1.217 9.559 -0.876 1.00 0.00 C ATOM 1058 C ILE A 67 -0.338 10.557 -0.127 1.00 0.00 C ATOM 1059 O ILE A 67 -0.466 10.723 1.086 1.00 0.00 O ATOM 1060 CB ILE A 67 -0.445 8.236 -1.078 1.00 0.00 C ATOM 1061 CG1 ILE A 67 -1.373 7.166 -1.654 1.00 0.00 C ATOM 1062 CG2 ILE A 67 0.163 7.759 0.235 1.00 0.00 C ATOM 1063 CD1 ILE A 67 -1.421 7.153 -3.166 1.00 0.00 C ATOM 0 H ILE A 67 -1.309 9.623 -2.970 1.00 0.00 H new ATOM 0 HA ILE A 67 -2.109 9.349 -0.286 1.00 0.00 H new ATOM 0 HB ILE A 67 0.366 8.415 -1.784 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -1.048 6.187 -1.301 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -2.380 7.325 -1.269 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.702 6.826 0.069 1.00 0.00 H new ATOM 0 HG22 ILE A 67 0.853 8.514 0.612 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -0.630 7.595 0.965 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.099 6.369 -3.502 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -1.776 8.118 -3.527 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -0.423 6.963 -3.560 1.00 0.00 H new ATOM 1075 N LYS A 68 0.547 11.228 -0.859 1.00 0.00 N ATOM 1076 CA LYS A 68 1.434 12.217 -0.260 1.00 0.00 C ATOM 1077 C LYS A 68 0.720 13.560 -0.095 1.00 0.00 C ATOM 1078 O LYS A 68 1.214 14.457 0.589 1.00 0.00 O ATOM 1079 CB LYS A 68 2.704 12.377 -1.103 1.00 0.00 C ATOM 1080 CG LYS A 68 2.535 13.279 -2.313 1.00 0.00 C ATOM 1081 CD LYS A 68 3.414 14.516 -2.216 1.00 0.00 C ATOM 1082 CE LYS A 68 3.735 15.081 -3.590 1.00 0.00 C ATOM 1083 NZ LYS A 68 3.901 16.562 -3.557 1.00 0.00 N ATOM 0 H LYS A 68 0.668 11.105 -1.864 1.00 0.00 H new ATOM 0 HA LYS A 68 1.721 11.864 0.731 1.00 0.00 H new ATOM 0 HB2 LYS A 68 3.498 12.778 -0.472 1.00 0.00 H new ATOM 0 HB3 LYS A 68 3.030 11.393 -1.439 1.00 0.00 H new ATOM 0 HG2 LYS A 68 2.784 12.725 -3.218 1.00 0.00 H new ATOM 0 HG3 LYS A 68 1.491 13.580 -2.400 1.00 0.00 H new ATOM 0 HD2 LYS A 68 2.910 15.275 -1.618 1.00 0.00 H new ATOM 0 HD3 LYS A 68 4.340 14.266 -1.699 1.00 0.00 H new ATOM 0 HE2 LYS A 68 4.649 14.622 -3.967 1.00 0.00 H new ATOM 0 HE3 LYS A 68 2.937 14.821 -4.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 4.119 16.908 -4.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 3.021 17.003 -3.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 4.679 16.810 -2.913 1.00 0.00 H new ATOM 1097 N GLU A 69 -0.448 13.689 -0.724 1.00 0.00 N ATOM 1098 CA GLU A 69 -1.233 14.913 -0.644 1.00 0.00 C ATOM 1099 C GLU A 69 -1.950 15.003 0.697 1.00 0.00 C ATOM 1100 O GLU A 69 -2.024 16.070 1.306 1.00 0.00 O ATOM 1101 CB GLU A 69 -2.252 14.964 -1.782 1.00 0.00 C ATOM 1102 CG GLU A 69 -2.864 16.340 -1.987 1.00 0.00 C ATOM 1103 CD GLU A 69 -4.139 16.293 -2.806 1.00 0.00 C ATOM 1104 OE1 GLU A 69 -4.094 15.792 -3.950 1.00 0.00 O ATOM 1105 OE2 GLU A 69 -5.184 16.759 -2.305 1.00 0.00 O ATOM 0 H GLU A 69 -0.869 12.957 -1.295 1.00 0.00 H new ATOM 0 HA GLU A 69 -0.555 15.761 -0.736 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -1.768 14.649 -2.707 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.048 14.248 -1.579 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.076 16.788 -1.016 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.140 16.985 -2.485 1.00 0.00 H new ATOM 1112 N ASN A 70 -2.474 13.870 1.150 1.00 0.00 N ATOM 1113 CA ASN A 70 -3.189 13.806 2.419 1.00 0.00 C ATOM 1114 C ASN A 70 -2.495 12.851 3.391 1.00 0.00 C ATOM 1115 O ASN A 70 -3.039 12.525 4.447 1.00 0.00 O ATOM 1116 CB ASN A 70 -4.636 13.359 2.193 1.00 0.00 C ATOM 1117 CG ASN A 70 -5.226 13.928 0.915 1.00 0.00 C ATOM 1118 OD1 ASN A 70 -6.066 14.826 0.952 1.00 0.00 O ATOM 1119 ND2 ASN A 70 -4.786 13.404 -0.223 1.00 0.00 N ATOM 0 H ASN A 70 -2.417 12.980 0.655 1.00 0.00 H new ATOM 0 HA ASN A 70 -3.188 14.804 2.856 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -4.675 12.270 2.154 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -5.246 13.670 3.041 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -5.146 13.745 -1.114 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -4.088 12.660 -0.206 1.00 0.00 H new ATOM 1126 N SER A 71 -1.292 12.407 3.030 1.00 0.00 N ATOM 1127 CA SER A 71 -0.530 11.493 3.871 1.00 0.00 C ATOM 1128 C SER A 71 0.960 11.562 3.536 1.00 0.00 C ATOM 1129 O SER A 71 1.541 10.597 3.039 1.00 0.00 O ATOM 1130 CB SER A 71 -1.044 10.061 3.697 1.00 0.00 C ATOM 1131 OG SER A 71 -1.820 9.659 4.813 1.00 0.00 O ATOM 0 H SER A 71 -0.826 12.667 2.160 1.00 0.00 H new ATOM 0 HA SER A 71 -0.663 11.793 4.910 1.00 0.00 H new ATOM 0 HB2 SER A 71 -1.644 9.994 2.790 1.00 0.00 H new ATOM 0 HB3 SER A 71 -0.201 9.381 3.572 1.00 0.00 H new ATOM 0 HG SER A 71 -1.782 10.352 5.505 1.00 0.00 H new ATOM 1137 N PRO A 72 1.603 12.712 3.805 1.00 0.00 N ATOM 1138 CA PRO A 72 3.026 12.906 3.531 1.00 0.00 C ATOM 1139 C PRO A 72 3.911 12.202 4.553 1.00 0.00 C ATOM 1140 O PRO A 72 5.111 12.031 4.342 1.00 0.00 O ATOM 1141 CB PRO A 72 3.218 14.429 3.613 1.00 0.00 C ATOM 1142 CG PRO A 72 1.854 15.011 3.827 1.00 0.00 C ATOM 1143 CD PRO A 72 1.003 13.912 4.393 1.00 0.00 C ATOM 0 HA PRO A 72 3.310 12.486 2.566 1.00 0.00 H new ATOM 0 HB2 PRO A 72 3.887 14.694 4.432 1.00 0.00 H new ATOM 0 HB3 PRO A 72 3.667 14.815 2.698 1.00 0.00 H new ATOM 0 HG2 PRO A 72 1.897 15.859 4.511 1.00 0.00 H new ATOM 0 HG3 PRO A 72 1.438 15.379 2.889 1.00 0.00 H new ATOM 0 HD2 PRO A 72 1.038 13.891 5.482 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -0.044 14.023 4.110 1.00 0.00 H new ATOM 1151 N ASP A 73 3.304 11.795 5.657 1.00 0.00 N ATOM 1152 CA ASP A 73 4.022 11.105 6.722 1.00 0.00 C ATOM 1153 C ASP A 73 3.616 9.636 6.786 1.00 0.00 C ATOM 1154 O ASP A 73 3.643 9.018 7.850 1.00 0.00 O ATOM 1155 CB ASP A 73 3.755 11.778 8.063 1.00 0.00 C ATOM 1156 CG ASP A 73 4.989 11.822 8.943 1.00 0.00 C ATOM 1157 OD1 ASP A 73 5.816 10.889 8.854 1.00 0.00 O ATOM 1158 OD2 ASP A 73 5.130 12.789 9.721 1.00 0.00 O ATOM 0 H ASP A 73 2.310 11.931 5.841 1.00 0.00 H new ATOM 0 HA ASP A 73 5.088 11.160 6.503 1.00 0.00 H new ATOM 0 HB2 ASP A 73 3.397 12.793 7.892 1.00 0.00 H new ATOM 0 HB3 ASP A 73 2.960 11.243 8.583 1.00 0.00 H new ATOM 1163 N SER A 74 3.239 9.084 5.637 1.00 0.00 N ATOM 1164 CA SER A 74 2.822 7.689 5.555 1.00 0.00 C ATOM 1165 C SER A 74 3.897 6.845 4.869 1.00 0.00 C ATOM 1166 O SER A 74 5.072 7.214 4.858 1.00 0.00 O ATOM 1167 CB SER A 74 1.496 7.587 4.798 1.00 0.00 C ATOM 1168 OG SER A 74 1.019 6.252 4.780 1.00 0.00 O ATOM 0 H SER A 74 3.214 9.583 4.748 1.00 0.00 H new ATOM 0 HA SER A 74 2.683 7.304 6.565 1.00 0.00 H new ATOM 0 HB2 SER A 74 0.755 8.235 5.267 1.00 0.00 H new ATOM 0 HB3 SER A 74 1.629 7.943 3.776 1.00 0.00 H new ATOM 0 HG SER A 74 0.054 6.247 4.950 1.00 0.00 H new ATOM 1174 N VAL A 75 3.492 5.719 4.288 1.00 0.00 N ATOM 1175 CA VAL A 75 4.435 4.850 3.599 1.00 0.00 C ATOM 1176 C VAL A 75 3.798 4.145 2.412 1.00 0.00 C ATOM 1177 O VAL A 75 2.667 3.686 2.484 1.00 0.00 O ATOM 1178 CB VAL A 75 5.036 3.789 4.534 1.00 0.00 C ATOM 1179 CG1 VAL A 75 6.113 3.003 3.796 1.00 0.00 C ATOM 1180 CG2 VAL A 75 5.597 4.438 5.790 1.00 0.00 C ATOM 0 H VAL A 75 2.526 5.391 4.281 1.00 0.00 H new ATOM 0 HA VAL A 75 5.230 5.506 3.245 1.00 0.00 H new ATOM 0 HB VAL A 75 4.250 3.099 4.841 1.00 0.00 H new ATOM 0 HG11 VAL A 75 6.536 2.252 4.463 1.00 0.00 H new ATOM 0 HG12 VAL A 75 5.674 2.512 2.928 1.00 0.00 H new ATOM 0 HG13 VAL A 75 6.900 3.683 3.469 1.00 0.00 H new ATOM 0 HG21 VAL A 75 6.018 3.670 6.439 1.00 0.00 H new ATOM 0 HG22 VAL A 75 6.377 5.148 5.515 1.00 0.00 H new ATOM 0 HG23 VAL A 75 4.799 4.961 6.317 1.00 0.00 H new ATOM 1190 N VAL A 76 4.539 4.081 1.317 1.00 0.00 N ATOM 1191 CA VAL A 76 4.047 3.440 0.104 1.00 0.00 C ATOM 1192 C VAL A 76 4.979 2.328 -0.355 1.00 0.00 C ATOM 1193 O VAL A 76 6.105 2.582 -0.786 1.00 0.00 O ATOM 1194 CB VAL A 76 3.865 4.445 -1.052 1.00 0.00 C ATOM 1195 CG1 VAL A 76 2.741 3.995 -1.975 1.00 0.00 C ATOM 1196 CG2 VAL A 76 3.598 5.847 -0.523 1.00 0.00 C ATOM 0 H VAL A 76 5.481 4.464 1.241 1.00 0.00 H new ATOM 0 HA VAL A 76 3.075 3.019 0.360 1.00 0.00 H new ATOM 0 HB VAL A 76 4.792 4.475 -1.624 1.00 0.00 H new ATOM 0 HG11 VAL A 76 2.625 4.715 -2.785 1.00 0.00 H new ATOM 0 HG12 VAL A 76 2.981 3.016 -2.391 1.00 0.00 H new ATOM 0 HG13 VAL A 76 1.811 3.931 -1.411 1.00 0.00 H new ATOM 0 HG21 VAL A 76 3.474 6.534 -1.360 1.00 0.00 H new ATOM 0 HG22 VAL A 76 2.690 5.842 0.080 1.00 0.00 H new ATOM 0 HG23 VAL A 76 4.439 6.171 0.091 1.00 0.00 H new ATOM 1206 N ILE A 77 4.499 1.093 -0.265 1.00 0.00 N ATOM 1207 CA ILE A 77 5.280 -0.064 -0.677 1.00 0.00 C ATOM 1208 C ILE A 77 4.645 -0.732 -1.893 1.00 0.00 C ATOM 1209 O ILE A 77 4.527 -1.956 -1.958 1.00 0.00 O ATOM 1210 CB ILE A 77 5.410 -1.090 0.466 1.00 0.00 C ATOM 1211 CG1 ILE A 77 5.923 -0.405 1.736 1.00 0.00 C ATOM 1212 CG2 ILE A 77 6.338 -2.225 0.060 1.00 0.00 C ATOM 1213 CD1 ILE A 77 7.326 0.147 1.599 1.00 0.00 C ATOM 0 H ILE A 77 3.570 0.868 0.091 1.00 0.00 H new ATOM 0 HA ILE A 77 6.277 0.290 -0.938 1.00 0.00 H new ATOM 0 HB ILE A 77 4.425 -1.510 0.671 1.00 0.00 H new ATOM 0 HG12 ILE A 77 5.246 0.407 2.000 1.00 0.00 H new ATOM 0 HG13 ILE A 77 5.901 -1.119 2.559 1.00 0.00 H new ATOM 0 HG21 ILE A 77 6.418 -2.940 0.879 1.00 0.00 H new ATOM 0 HG22 ILE A 77 5.937 -2.726 -0.821 1.00 0.00 H new ATOM 0 HG23 ILE A 77 7.325 -1.824 -0.169 1.00 0.00 H new ATOM 0 HD11 ILE A 77 7.625 0.618 2.535 1.00 0.00 H new ATOM 0 HD12 ILE A 77 8.015 -0.665 1.365 1.00 0.00 H new ATOM 0 HD13 ILE A 77 7.350 0.886 0.798 1.00 0.00 H new ATOM 1225 N VAL A 78 4.237 0.090 -2.858 1.00 0.00 N ATOM 1226 CA VAL A 78 3.610 -0.398 -4.083 1.00 0.00 C ATOM 1227 C VAL A 78 4.375 -1.588 -4.661 1.00 0.00 C ATOM 1228 O VAL A 78 5.538 -1.466 -5.046 1.00 0.00 O ATOM 1229 CB VAL A 78 3.525 0.722 -5.141 1.00 0.00 C ATOM 1230 CG1 VAL A 78 2.816 0.234 -6.396 1.00 0.00 C ATOM 1231 CG2 VAL A 78 2.819 1.941 -4.568 1.00 0.00 C ATOM 0 H VAL A 78 4.331 1.105 -2.813 1.00 0.00 H new ATOM 0 HA VAL A 78 2.602 -0.722 -3.824 1.00 0.00 H new ATOM 0 HB VAL A 78 4.540 1.006 -5.417 1.00 0.00 H new ATOM 0 HG11 VAL A 78 2.770 1.043 -7.125 1.00 0.00 H new ATOM 0 HG12 VAL A 78 3.365 -0.607 -6.821 1.00 0.00 H new ATOM 0 HG13 VAL A 78 1.805 -0.084 -6.142 1.00 0.00 H new ATOM 0 HG21 VAL A 78 2.767 2.722 -5.327 1.00 0.00 H new ATOM 0 HG22 VAL A 78 1.810 1.666 -4.261 1.00 0.00 H new ATOM 0 HG23 VAL A 78 3.373 2.310 -3.705 1.00 0.00 H new ATOM 1241 N ILE A 79 3.713 -2.740 -4.709 1.00 0.00 N ATOM 1242 CA ILE A 79 4.324 -3.959 -5.228 1.00 0.00 C ATOM 1243 C ILE A 79 3.748 -4.293 -6.612 1.00 0.00 C ATOM 1244 O ILE A 79 3.385 -3.389 -7.364 1.00 0.00 O ATOM 1245 CB ILE A 79 4.109 -5.149 -4.256 1.00 0.00 C ATOM 1246 CG1 ILE A 79 4.002 -4.654 -2.813 1.00 0.00 C ATOM 1247 CG2 ILE A 79 5.253 -6.148 -4.377 1.00 0.00 C ATOM 1248 CD1 ILE A 79 3.568 -5.725 -1.835 1.00 0.00 C ATOM 0 H ILE A 79 2.750 -2.855 -4.394 1.00 0.00 H new ATOM 0 HA ILE A 79 5.396 -3.788 -5.321 1.00 0.00 H new ATOM 0 HB ILE A 79 3.176 -5.644 -4.526 1.00 0.00 H new ATOM 0 HG12 ILE A 79 4.969 -4.259 -2.501 1.00 0.00 H new ATOM 0 HG13 ILE A 79 3.292 -3.828 -2.773 1.00 0.00 H new ATOM 0 HG21 ILE A 79 5.087 -6.977 -3.689 1.00 0.00 H new ATOM 0 HG22 ILE A 79 5.298 -6.528 -5.398 1.00 0.00 H new ATOM 0 HG23 ILE A 79 6.194 -5.655 -4.131 1.00 0.00 H new ATOM 0 HD11 ILE A 79 3.514 -5.302 -0.832 1.00 0.00 H new ATOM 0 HD12 ILE A 79 2.587 -6.104 -2.122 1.00 0.00 H new ATOM 0 HD13 ILE A 79 4.290 -6.542 -1.846 1.00 0.00 H new ATOM 1260 N THR A 80 3.659 -5.581 -6.950 1.00 0.00 N ATOM 1261 CA THR A 80 3.121 -5.999 -8.242 1.00 0.00 C ATOM 1262 C THR A 80 3.890 -5.356 -9.392 1.00 0.00 C ATOM 1263 O THR A 80 4.755 -4.507 -9.176 1.00 0.00 O ATOM 1264 CB THR A 80 1.633 -5.645 -8.339 1.00 0.00 C ATOM 1265 OG1 THR A 80 1.173 -5.080 -7.126 1.00 0.00 O ATOM 1266 CG2 THR A 80 0.753 -6.836 -8.643 1.00 0.00 C ATOM 0 H THR A 80 3.952 -6.350 -6.347 1.00 0.00 H new ATOM 0 HA THR A 80 3.234 -7.080 -8.320 1.00 0.00 H new ATOM 0 HB THR A 80 1.560 -4.935 -9.163 1.00 0.00 H new ATOM 0 HG1 THR A 80 1.312 -5.718 -6.395 1.00 0.00 H new ATOM 0 HG21 THR A 80 -0.287 -6.515 -8.698 1.00 0.00 H new ATOM 0 HG22 THR A 80 1.049 -7.273 -9.597 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.862 -7.580 -7.854 1.00 0.00 H new ATOM 1274 N GLY A 81 3.569 -5.768 -10.614 1.00 0.00 N ATOM 1275 CA GLY A 81 4.238 -5.224 -11.782 1.00 0.00 C ATOM 1276 C GLY A 81 5.227 -6.200 -12.391 1.00 0.00 C ATOM 1277 O GLY A 81 6.436 -6.062 -12.210 1.00 0.00 O ATOM 0 H GLY A 81 2.857 -6.470 -10.817 1.00 0.00 H new ATOM 0 HA2 GLY A 81 3.493 -4.952 -12.530 1.00 0.00 H new ATOM 0 HA3 GLY A 81 4.760 -4.308 -11.504 1.00 0.00 H new ATOM 1281 N HIS A 82 4.710 -7.188 -13.115 1.00 0.00 N ATOM 1282 CA HIS A 82 5.556 -8.191 -13.752 1.00 0.00 C ATOM 1283 C HIS A 82 5.790 -7.857 -15.222 1.00 0.00 C ATOM 1284 O HIS A 82 5.995 -8.747 -16.046 1.00 0.00 O ATOM 1285 CB HIS A 82 4.921 -9.578 -13.628 1.00 0.00 C ATOM 1286 CG HIS A 82 3.486 -9.619 -14.054 1.00 0.00 C ATOM 1287 ND1 HIS A 82 2.435 -9.487 -13.172 1.00 0.00 N ATOM 1288 CD2 HIS A 82 2.930 -9.778 -15.279 1.00 0.00 C ATOM 1289 CE1 HIS A 82 1.294 -9.565 -13.835 1.00 0.00 C ATOM 1290 NE2 HIS A 82 1.568 -9.740 -15.114 1.00 0.00 N ATOM 0 H HIS A 82 3.711 -7.315 -13.275 1.00 0.00 H new ATOM 0 HA HIS A 82 6.519 -8.191 -13.242 1.00 0.00 H new ATOM 0 HB2 HIS A 82 5.491 -10.285 -14.231 1.00 0.00 H new ATOM 0 HB3 HIS A 82 4.994 -9.911 -12.593 1.00 0.00 H new ATOM 0 HD2 HIS A 82 3.459 -9.910 -16.211 1.00 0.00 H new ATOM 0 HE1 HIS A 82 0.306 -9.497 -13.404 1.00 0.00 H new ATOM 0 HE2 HIS A 82 0.878 -9.832 -15.860 1.00 0.00 H new ATOM 1299 N GLY A 83 5.759 -6.567 -15.543 1.00 0.00 N ATOM 1300 CA GLY A 83 5.971 -6.140 -16.914 1.00 0.00 C ATOM 1301 C GLY A 83 7.355 -5.562 -17.132 1.00 0.00 C ATOM 1302 O GLY A 83 7.976 -5.793 -18.169 1.00 0.00 O ATOM 0 H GLY A 83 5.591 -5.811 -14.879 1.00 0.00 H new ATOM 0 HA2 GLY A 83 5.825 -6.988 -17.583 1.00 0.00 H new ATOM 0 HA3 GLY A 83 5.223 -5.393 -17.179 1.00 0.00 H new ATOM 1306 N SER A 84 7.838 -4.807 -16.150 1.00 0.00 N ATOM 1307 CA SER A 84 9.157 -4.191 -16.235 1.00 0.00 C ATOM 1308 C SER A 84 9.472 -3.409 -14.965 1.00 0.00 C ATOM 1309 O SER A 84 8.620 -3.256 -14.091 1.00 0.00 O ATOM 1310 CB SER A 84 9.236 -3.264 -17.451 1.00 0.00 C ATOM 1311 OG SER A 84 8.271 -2.230 -17.366 1.00 0.00 O ATOM 0 H SER A 84 7.335 -4.607 -15.286 1.00 0.00 H new ATOM 0 HA SER A 84 9.895 -4.986 -16.346 1.00 0.00 H new ATOM 0 HB2 SER A 84 10.234 -2.830 -17.518 1.00 0.00 H new ATOM 0 HB3 SER A 84 9.077 -3.840 -18.363 1.00 0.00 H new ATOM 0 HG SER A 84 8.342 -1.650 -18.153 1.00 0.00 H new ATOM 1317 N VAL A 85 10.701 -2.913 -14.871 1.00 0.00 N ATOM 1318 CA VAL A 85 11.128 -2.145 -13.708 1.00 0.00 C ATOM 1319 C VAL A 85 11.032 -0.647 -13.977 1.00 0.00 C ATOM 1320 O VAL A 85 11.818 0.140 -13.451 1.00 0.00 O ATOM 1321 CB VAL A 85 12.572 -2.491 -13.303 1.00 0.00 C ATOM 1322 CG1 VAL A 85 12.638 -3.883 -12.692 1.00 0.00 C ATOM 1323 CG2 VAL A 85 13.504 -2.383 -14.501 1.00 0.00 C ATOM 0 H VAL A 85 11.419 -3.029 -15.586 1.00 0.00 H new ATOM 0 HA VAL A 85 10.458 -2.410 -12.890 1.00 0.00 H new ATOM 0 HB VAL A 85 12.899 -1.773 -12.551 1.00 0.00 H new ATOM 0 HG11 VAL A 85 13.667 -4.109 -12.412 1.00 0.00 H new ATOM 0 HG12 VAL A 85 12.004 -3.922 -11.806 1.00 0.00 H new ATOM 0 HG13 VAL A 85 12.290 -4.617 -13.419 1.00 0.00 H new ATOM 0 HG21 VAL A 85 14.520 -2.631 -14.195 1.00 0.00 H new ATOM 0 HG22 VAL A 85 13.180 -3.075 -15.278 1.00 0.00 H new ATOM 0 HG23 VAL A 85 13.481 -1.365 -14.890 1.00 0.00 H new ATOM 1333 N ASP A 86 10.064 -0.259 -14.802 1.00 0.00 N ATOM 1334 CA ASP A 86 9.868 1.145 -15.142 1.00 0.00 C ATOM 1335 C ASP A 86 8.677 1.736 -14.392 1.00 0.00 C ATOM 1336 O ASP A 86 8.550 2.957 -14.283 1.00 0.00 O ATOM 1337 CB ASP A 86 9.667 1.302 -16.649 1.00 0.00 C ATOM 1338 CG ASP A 86 9.634 2.757 -17.080 1.00 0.00 C ATOM 1339 OD1 ASP A 86 8.661 3.457 -16.730 1.00 0.00 O ATOM 1340 OD2 ASP A 86 10.580 3.195 -17.766 1.00 0.00 O ATOM 0 H ASP A 86 9.404 -0.897 -15.247 1.00 0.00 H new ATOM 0 HA ASP A 86 10.763 1.690 -14.841 1.00 0.00 H new ATOM 0 HB2 ASP A 86 10.471 0.788 -17.176 1.00 0.00 H new ATOM 0 HB3 ASP A 86 8.735 0.818 -16.941 1.00 0.00 H new ATOM 1345 N THR A 87 7.813 0.873 -13.861 1.00 0.00 N ATOM 1346 CA THR A 87 6.653 1.335 -13.110 1.00 0.00 C ATOM 1347 C THR A 87 7.067 1.677 -11.687 1.00 0.00 C ATOM 1348 O THR A 87 6.569 2.633 -11.092 1.00 0.00 O ATOM 1349 CB THR A 87 5.537 0.278 -13.113 1.00 0.00 C ATOM 1350 OG1 THR A 87 4.265 0.897 -13.037 1.00 0.00 O ATOM 1351 CG2 THR A 87 5.624 -0.717 -11.970 1.00 0.00 C ATOM 0 H THR A 87 7.895 -0.141 -13.937 1.00 0.00 H new ATOM 0 HA THR A 87 6.260 2.231 -13.590 1.00 0.00 H new ATOM 0 HB THR A 87 5.670 -0.265 -14.049 1.00 0.00 H new ATOM 0 HG1 THR A 87 3.566 0.210 -13.042 1.00 0.00 H new ATOM 0 HG21 THR A 87 4.802 -1.429 -12.044 1.00 0.00 H new ATOM 0 HG22 THR A 87 6.572 -1.252 -12.024 1.00 0.00 H new ATOM 0 HG23 THR A 87 5.561 -0.186 -11.020 1.00 0.00 H new ATOM 1359 N ALA A 88 7.999 0.894 -11.157 1.00 0.00 N ATOM 1360 CA ALA A 88 8.508 1.116 -9.815 1.00 0.00 C ATOM 1361 C ALA A 88 9.119 2.502 -9.715 1.00 0.00 C ATOM 1362 O ALA A 88 8.689 3.333 -8.916 1.00 0.00 O ATOM 1363 CB ALA A 88 9.544 0.060 -9.464 1.00 0.00 C ATOM 0 H ALA A 88 8.417 0.099 -11.640 1.00 0.00 H new ATOM 0 HA ALA A 88 7.682 1.042 -9.108 1.00 0.00 H new ATOM 0 HB1 ALA A 88 9.918 0.238 -8.456 1.00 0.00 H new ATOM 0 HB2 ALA A 88 9.087 -0.928 -9.513 1.00 0.00 H new ATOM 0 HB3 ALA A 88 10.371 0.112 -10.172 1.00 0.00 H new ATOM 1369 N VAL A 89 10.124 2.744 -10.546 1.00 0.00 N ATOM 1370 CA VAL A 89 10.801 4.027 -10.570 1.00 0.00 C ATOM 1371 C VAL A 89 9.821 5.156 -10.886 1.00 0.00 C ATOM 1372 O VAL A 89 9.993 6.286 -10.431 1.00 0.00 O ATOM 1373 CB VAL A 89 11.943 4.035 -11.607 1.00 0.00 C ATOM 1374 CG1 VAL A 89 12.876 2.856 -11.377 1.00 0.00 C ATOM 1375 CG2 VAL A 89 11.389 4.008 -13.026 1.00 0.00 C ATOM 0 H VAL A 89 10.487 2.064 -11.214 1.00 0.00 H new ATOM 0 HA VAL A 89 11.224 4.188 -9.578 1.00 0.00 H new ATOM 0 HB VAL A 89 12.510 4.958 -11.482 1.00 0.00 H new ATOM 0 HG11 VAL A 89 13.676 2.876 -12.117 1.00 0.00 H new ATOM 0 HG12 VAL A 89 13.304 2.921 -10.377 1.00 0.00 H new ATOM 0 HG13 VAL A 89 12.317 1.925 -11.472 1.00 0.00 H new ATOM 0 HG21 VAL A 89 12.214 4.014 -13.739 1.00 0.00 H new ATOM 0 HG22 VAL A 89 10.794 3.106 -13.167 1.00 0.00 H new ATOM 0 HG23 VAL A 89 10.762 4.885 -13.189 1.00 0.00 H new ATOM 1385 N LYS A 90 8.792 4.837 -11.667 1.00 0.00 N ATOM 1386 CA LYS A 90 7.783 5.822 -12.042 1.00 0.00 C ATOM 1387 C LYS A 90 6.837 6.119 -10.880 1.00 0.00 C ATOM 1388 O LYS A 90 6.017 7.033 -10.957 1.00 0.00 O ATOM 1389 CB LYS A 90 6.985 5.327 -13.249 1.00 0.00 C ATOM 1390 CG LYS A 90 5.928 6.310 -13.722 1.00 0.00 C ATOM 1391 CD LYS A 90 5.451 5.981 -15.128 1.00 0.00 C ATOM 1392 CE LYS A 90 6.487 6.367 -16.172 1.00 0.00 C ATOM 1393 NZ LYS A 90 5.858 6.933 -17.397 1.00 0.00 N ATOM 0 H LYS A 90 8.636 3.905 -12.052 1.00 0.00 H new ATOM 0 HA LYS A 90 8.299 6.745 -12.304 1.00 0.00 H new ATOM 0 HB2 LYS A 90 7.672 5.122 -14.070 1.00 0.00 H new ATOM 0 HB3 LYS A 90 6.503 4.383 -12.994 1.00 0.00 H new ATOM 0 HG2 LYS A 90 5.081 6.293 -13.036 1.00 0.00 H new ATOM 0 HG3 LYS A 90 6.335 7.321 -13.702 1.00 0.00 H new ATOM 0 HD2 LYS A 90 5.239 4.914 -15.201 1.00 0.00 H new ATOM 0 HD3 LYS A 90 4.517 6.506 -15.329 1.00 0.00 H new ATOM 0 HE2 LYS A 90 7.176 7.097 -15.747 1.00 0.00 H new ATOM 0 HE3 LYS A 90 7.077 5.490 -16.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 6.598 7.183 -18.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 5.220 6.227 -17.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 5.316 7.784 -17.147 1.00 0.00 H new ATOM 1407 N ALA A 91 6.950 5.342 -9.805 1.00 0.00 N ATOM 1408 CA ALA A 91 6.096 5.530 -8.639 1.00 0.00 C ATOM 1409 C ALA A 91 6.913 5.882 -7.399 1.00 0.00 C ATOM 1410 O ALA A 91 6.470 6.661 -6.555 1.00 0.00 O ATOM 1411 CB ALA A 91 5.272 4.277 -8.387 1.00 0.00 C ATOM 0 H ALA A 91 7.622 4.580 -9.719 1.00 0.00 H new ATOM 0 HA ALA A 91 5.426 6.365 -8.845 1.00 0.00 H new ATOM 0 HB1 ALA A 91 4.638 4.428 -7.514 1.00 0.00 H new ATOM 0 HB2 ALA A 91 4.649 4.070 -9.257 1.00 0.00 H new ATOM 0 HB3 ALA A 91 5.938 3.433 -8.209 1.00 0.00 H new ATOM 1417 N ILE A 92 8.103 5.300 -7.289 1.00 0.00 N ATOM 1418 CA ILE A 92 8.973 5.551 -6.146 1.00 0.00 C ATOM 1419 C ILE A 92 9.722 6.873 -6.302 1.00 0.00 C ATOM 1420 O ILE A 92 9.871 7.383 -7.412 1.00 0.00 O ATOM 1421 CB ILE A 92 9.982 4.399 -5.936 1.00 0.00 C ATOM 1422 CG1 ILE A 92 11.115 4.467 -6.960 1.00 0.00 C ATOM 1423 CG2 ILE A 92 9.271 3.057 -6.028 1.00 0.00 C ATOM 1424 CD1 ILE A 92 12.116 3.337 -6.831 1.00 0.00 C ATOM 0 H ILE A 92 8.486 4.652 -7.977 1.00 0.00 H new ATOM 0 HA ILE A 92 8.332 5.612 -5.266 1.00 0.00 H new ATOM 0 HB ILE A 92 10.417 4.505 -4.942 1.00 0.00 H new ATOM 0 HG12 ILE A 92 10.689 4.451 -7.963 1.00 0.00 H new ATOM 0 HG13 ILE A 92 11.636 5.418 -6.850 1.00 0.00 H new ATOM 0 HG21 ILE A 92 9.991 2.253 -5.879 1.00 0.00 H new ATOM 0 HG22 ILE A 92 8.500 3.001 -5.260 1.00 0.00 H new ATOM 0 HG23 ILE A 92 8.812 2.955 -7.011 1.00 0.00 H new ATOM 0 HD11 ILE A 92 12.891 3.449 -7.589 1.00 0.00 H new ATOM 0 HD12 ILE A 92 12.570 3.365 -5.841 1.00 0.00 H new ATOM 0 HD13 ILE A 92 11.608 2.383 -6.971 1.00 0.00 H new ATOM 1436 N LYS A 93 10.176 7.428 -5.178 1.00 0.00 N ATOM 1437 CA LYS A 93 10.901 8.701 -5.166 1.00 0.00 C ATOM 1438 C LYS A 93 9.930 9.878 -5.239 1.00 0.00 C ATOM 1439 O LYS A 93 10.056 10.845 -4.487 1.00 0.00 O ATOM 1440 CB LYS A 93 11.914 8.778 -6.314 1.00 0.00 C ATOM 1441 CG LYS A 93 12.780 7.533 -6.449 1.00 0.00 C ATOM 1442 CD LYS A 93 14.257 7.852 -6.271 1.00 0.00 C ATOM 1443 CE LYS A 93 15.136 6.740 -6.822 1.00 0.00 C ATOM 1444 NZ LYS A 93 16.532 6.827 -6.308 1.00 0.00 N ATOM 0 H LYS A 93 10.053 7.012 -4.255 1.00 0.00 H new ATOM 0 HA LYS A 93 11.450 8.757 -4.226 1.00 0.00 H new ATOM 0 HB2 LYS A 93 11.378 8.941 -7.249 1.00 0.00 H new ATOM 0 HB3 LYS A 93 12.559 9.644 -6.161 1.00 0.00 H new ATOM 0 HG2 LYS A 93 12.475 6.796 -5.707 1.00 0.00 H new ATOM 0 HG3 LYS A 93 12.620 7.083 -7.429 1.00 0.00 H new ATOM 0 HD2 LYS A 93 14.492 8.788 -6.777 1.00 0.00 H new ATOM 0 HD3 LYS A 93 14.474 7.999 -5.213 1.00 0.00 H new ATOM 0 HE2 LYS A 93 14.710 5.774 -6.553 1.00 0.00 H new ATOM 0 HE3 LYS A 93 15.146 6.792 -7.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 17.098 6.051 -6.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 16.948 7.738 -6.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 16.525 6.752 -5.271 1.00 0.00 H new ATOM 1458 N LYS A 94 8.958 9.788 -6.143 1.00 0.00 N ATOM 1459 CA LYS A 94 7.963 10.841 -6.305 1.00 0.00 C ATOM 1460 C LYS A 94 7.038 10.909 -5.094 1.00 0.00 C ATOM 1461 O LYS A 94 6.424 11.942 -4.828 1.00 0.00 O ATOM 1462 CB LYS A 94 7.141 10.604 -7.570 1.00 0.00 C ATOM 1463 CG LYS A 94 6.351 11.822 -8.022 1.00 0.00 C ATOM 1464 CD LYS A 94 7.230 12.813 -8.768 1.00 0.00 C ATOM 1465 CE LYS A 94 7.650 13.971 -7.878 1.00 0.00 C ATOM 1466 NZ LYS A 94 9.094 13.901 -7.519 1.00 0.00 N ATOM 0 H LYS A 94 8.839 8.996 -6.774 1.00 0.00 H new ATOM 0 HA LYS A 94 8.490 11.791 -6.392 1.00 0.00 H new ATOM 0 HB2 LYS A 94 7.809 10.296 -8.374 1.00 0.00 H new ATOM 0 HB3 LYS A 94 6.451 9.779 -7.395 1.00 0.00 H new ATOM 0 HG2 LYS A 94 5.530 11.506 -8.666 1.00 0.00 H new ATOM 0 HG3 LYS A 94 5.906 12.310 -7.155 1.00 0.00 H new ATOM 0 HD2 LYS A 94 8.117 12.302 -9.144 1.00 0.00 H new ATOM 0 HD3 LYS A 94 6.692 13.197 -9.635 1.00 0.00 H new ATOM 0 HE2 LYS A 94 7.448 14.913 -8.388 1.00 0.00 H new ATOM 0 HE3 LYS A 94 7.049 13.966 -6.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 9.199 13.974 -6.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 9.489 12.995 -7.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 9.604 14.684 -7.975 1.00 0.00 H new ATOM 1480 N GLY A 95 6.939 9.800 -4.363 1.00 0.00 N ATOM 1481 CA GLY A 95 6.082 9.763 -3.193 1.00 0.00 C ATOM 1482 C GLY A 95 6.149 8.445 -2.445 1.00 0.00 C ATOM 1483 O GLY A 95 5.954 8.410 -1.230 1.00 0.00 O ATOM 0 H GLY A 95 7.435 8.931 -4.560 1.00 0.00 H new ATOM 0 HA2 GLY A 95 6.364 10.571 -2.518 1.00 0.00 H new ATOM 0 HA3 GLY A 95 5.052 9.948 -3.499 1.00 0.00 H new ATOM 1487 N ALA A 96 6.421 7.354 -3.161 1.00 0.00 N ATOM 1488 CA ALA A 96 6.504 6.044 -2.535 1.00 0.00 C ATOM 1489 C ALA A 96 7.850 5.850 -1.852 1.00 0.00 C ATOM 1490 O ALA A 96 8.730 6.706 -1.934 1.00 0.00 O ATOM 1491 CB ALA A 96 6.260 4.942 -3.557 1.00 0.00 C ATOM 0 H ALA A 96 6.586 7.355 -4.168 1.00 0.00 H new ATOM 0 HA ALA A 96 5.726 5.986 -1.774 1.00 0.00 H new ATOM 0 HB1 ALA A 96 6.327 3.970 -3.067 1.00 0.00 H new ATOM 0 HB2 ALA A 96 5.268 5.062 -3.992 1.00 0.00 H new ATOM 0 HB3 ALA A 96 7.011 5.004 -4.345 1.00 0.00 H new ATOM 1497 N TYR A 97 8.000 4.721 -1.175 1.00 0.00 N ATOM 1498 CA TYR A 97 9.237 4.410 -0.471 1.00 0.00 C ATOM 1499 C TYR A 97 10.102 3.440 -1.271 1.00 0.00 C ATOM 1500 O TYR A 97 11.272 3.240 -0.946 1.00 0.00 O ATOM 1501 CB TYR A 97 8.916 3.826 0.910 1.00 0.00 C ATOM 1502 CG TYR A 97 10.102 3.194 1.606 1.00 0.00 C ATOM 1503 CD1 TYR A 97 11.046 3.974 2.260 1.00 0.00 C ATOM 1504 CD2 TYR A 97 10.273 1.815 1.610 1.00 0.00 C ATOM 1505 CE1 TYR A 97 12.129 3.398 2.897 1.00 0.00 C ATOM 1506 CE2 TYR A 97 11.352 1.232 2.245 1.00 0.00 C ATOM 1507 CZ TYR A 97 12.277 2.027 2.887 1.00 0.00 C ATOM 1508 OH TYR A 97 13.354 1.451 3.521 1.00 0.00 O ATOM 0 H TYR A 97 7.279 4.003 -1.098 1.00 0.00 H new ATOM 0 HA TYR A 97 9.803 5.334 -0.348 1.00 0.00 H new ATOM 0 HB2 TYR A 97 8.517 4.618 1.543 1.00 0.00 H new ATOM 0 HB3 TYR A 97 8.131 3.078 0.802 1.00 0.00 H new ATOM 0 HD1 TYR A 97 10.932 5.048 2.271 1.00 0.00 H new ATOM 0 HD2 TYR A 97 9.550 1.189 1.108 1.00 0.00 H new ATOM 0 HE1 TYR A 97 12.856 4.019 3.400 1.00 0.00 H new ATOM 0 HE2 TYR A 97 11.470 0.159 2.239 1.00 0.00 H new ATOM 0 HH TYR A 97 13.310 0.477 3.421 1.00 0.00 H new ATOM 1518 N GLU A 98 9.515 2.849 -2.316 1.00 0.00 N ATOM 1519 CA GLU A 98 10.207 1.887 -3.191 1.00 0.00 C ATOM 1520 C GLU A 98 9.225 0.841 -3.712 1.00 0.00 C ATOM 1521 O GLU A 98 8.025 0.917 -3.448 1.00 0.00 O ATOM 1522 CB GLU A 98 11.353 1.174 -2.460 1.00 0.00 C ATOM 1523 CG GLU A 98 10.943 0.567 -1.126 1.00 0.00 C ATOM 1524 CD GLU A 98 10.811 -0.942 -1.189 1.00 0.00 C ATOM 1525 OE1 GLU A 98 11.819 -1.637 -0.937 1.00 0.00 O ATOM 1526 OE2 GLU A 98 9.701 -1.429 -1.488 1.00 0.00 O ATOM 0 H GLU A 98 8.546 3.022 -2.583 1.00 0.00 H new ATOM 0 HA GLU A 98 10.625 2.454 -4.023 1.00 0.00 H new ATOM 0 HB2 GLU A 98 11.747 0.386 -3.102 1.00 0.00 H new ATOM 0 HB3 GLU A 98 12.163 1.884 -2.293 1.00 0.00 H new ATOM 0 HG2 GLU A 98 11.680 0.832 -0.368 1.00 0.00 H new ATOM 0 HG3 GLU A 98 9.993 0.998 -0.811 1.00 0.00 H new ATOM 1533 N PHE A 99 9.745 -0.139 -4.445 1.00 0.00 N ATOM 1534 CA PHE A 99 8.917 -1.207 -4.996 1.00 0.00 C ATOM 1535 C PHE A 99 9.358 -2.562 -4.450 1.00 0.00 C ATOM 1536 O PHE A 99 10.546 -2.889 -4.461 1.00 0.00 O ATOM 1537 CB PHE A 99 9.001 -1.209 -6.523 1.00 0.00 C ATOM 1538 CG PHE A 99 7.679 -0.989 -7.203 1.00 0.00 C ATOM 1539 CD1 PHE A 99 6.941 0.158 -6.959 1.00 0.00 C ATOM 1540 CD2 PHE A 99 7.180 -1.926 -8.093 1.00 0.00 C ATOM 1541 CE1 PHE A 99 5.728 0.364 -7.589 1.00 0.00 C ATOM 1542 CE2 PHE A 99 5.967 -1.725 -8.727 1.00 0.00 C ATOM 1543 CZ PHE A 99 5.241 -0.578 -8.473 1.00 0.00 C ATOM 0 H PHE A 99 10.737 -0.216 -4.671 1.00 0.00 H new ATOM 0 HA PHE A 99 7.884 -1.029 -4.698 1.00 0.00 H new ATOM 0 HB2 PHE A 99 9.696 -0.432 -6.840 1.00 0.00 H new ATOM 0 HB3 PHE A 99 9.415 -2.162 -6.854 1.00 0.00 H new ATOM 0 HD1 PHE A 99 7.317 0.899 -6.269 1.00 0.00 H new ATOM 0 HD2 PHE A 99 7.745 -2.824 -8.294 1.00 0.00 H new ATOM 0 HE1 PHE A 99 5.161 1.262 -7.390 1.00 0.00 H new ATOM 0 HE2 PHE A 99 5.589 -2.463 -9.419 1.00 0.00 H new ATOM 0 HZ PHE A 99 4.293 -0.418 -8.965 1.00 0.00 H new ATOM 1553 N LEU A 100 8.398 -3.345 -3.975 1.00 0.00 N ATOM 1554 CA LEU A 100 8.689 -4.662 -3.428 1.00 0.00 C ATOM 1555 C LEU A 100 8.533 -5.740 -4.497 1.00 0.00 C ATOM 1556 O LEU A 100 7.940 -6.791 -4.253 1.00 0.00 O ATOM 1557 CB LEU A 100 7.760 -4.958 -2.246 1.00 0.00 C ATOM 1558 CG LEU A 100 8.382 -5.753 -1.093 1.00 0.00 C ATOM 1559 CD1 LEU A 100 9.460 -6.701 -1.599 1.00 0.00 C ATOM 1560 CD2 LEU A 100 8.949 -4.811 -0.041 1.00 0.00 C ATOM 0 H LEU A 100 7.411 -3.090 -3.958 1.00 0.00 H new ATOM 0 HA LEU A 100 9.722 -4.668 -3.081 1.00 0.00 H new ATOM 0 HB2 LEU A 100 7.391 -4.011 -1.852 1.00 0.00 H new ATOM 0 HB3 LEU A 100 6.895 -5.508 -2.617 1.00 0.00 H new ATOM 0 HG LEU A 100 7.596 -6.353 -0.635 1.00 0.00 H new ATOM 0 HD11 LEU A 100 9.884 -7.252 -0.759 1.00 0.00 H new ATOM 0 HD12 LEU A 100 9.023 -7.403 -2.310 1.00 0.00 H new ATOM 0 HD13 LEU A 100 10.246 -6.128 -2.091 1.00 0.00 H new ATOM 0 HD21 LEU A 100 9.387 -5.393 0.770 1.00 0.00 H new ATOM 0 HD22 LEU A 100 9.717 -4.182 -0.492 1.00 0.00 H new ATOM 0 HD23 LEU A 100 8.150 -4.183 0.353 1.00 0.00 H new ATOM 1572 N GLU A 101 9.068 -5.471 -5.684 1.00 0.00 N ATOM 1573 CA GLU A 101 8.985 -6.416 -6.793 1.00 0.00 C ATOM 1574 C GLU A 101 10.278 -7.216 -6.937 1.00 0.00 C ATOM 1575 O GLU A 101 10.300 -8.262 -7.586 1.00 0.00 O ATOM 1576 CB GLU A 101 8.683 -5.678 -8.098 1.00 0.00 C ATOM 1577 CG GLU A 101 9.784 -4.719 -8.522 1.00 0.00 C ATOM 1578 CD GLU A 101 9.722 -4.377 -9.998 1.00 0.00 C ATOM 1579 OE1 GLU A 101 10.228 -5.175 -10.814 1.00 0.00 O ATOM 1580 OE2 GLU A 101 9.167 -3.311 -10.337 1.00 0.00 O ATOM 0 H GLU A 101 9.564 -4.607 -5.903 1.00 0.00 H new ATOM 0 HA GLU A 101 8.174 -7.112 -6.578 1.00 0.00 H new ATOM 0 HB2 GLU A 101 8.524 -6.409 -8.891 1.00 0.00 H new ATOM 0 HB3 GLU A 101 7.752 -5.122 -7.985 1.00 0.00 H new ATOM 0 HG2 GLU A 101 9.708 -3.803 -7.937 1.00 0.00 H new ATOM 0 HG3 GLU A 101 10.754 -5.162 -8.296 1.00 0.00 H new ATOM 1587 N LYS A 102 11.356 -6.720 -6.332 1.00 0.00 N ATOM 1588 CA LYS A 102 12.650 -7.394 -6.399 1.00 0.00 C ATOM 1589 C LYS A 102 12.518 -8.873 -6.035 1.00 0.00 C ATOM 1590 O LYS A 102 12.854 -9.749 -6.832 1.00 0.00 O ATOM 1591 CB LYS A 102 13.654 -6.711 -5.468 1.00 0.00 C ATOM 1592 CG LYS A 102 14.902 -6.213 -6.181 1.00 0.00 C ATOM 1593 CD LYS A 102 15.034 -4.701 -6.093 1.00 0.00 C ATOM 1594 CE LYS A 102 16.476 -4.279 -5.868 1.00 0.00 C ATOM 1595 NZ LYS A 102 16.717 -2.872 -6.294 1.00 0.00 N ATOM 0 H LYS A 102 11.358 -5.855 -5.791 1.00 0.00 H new ATOM 0 HA LYS A 102 13.013 -7.326 -7.424 1.00 0.00 H new ATOM 0 HB2 LYS A 102 13.166 -5.870 -4.976 1.00 0.00 H new ATOM 0 HB3 LYS A 102 13.947 -7.412 -4.686 1.00 0.00 H new ATOM 0 HG2 LYS A 102 15.783 -6.681 -5.742 1.00 0.00 H new ATOM 0 HG3 LYS A 102 14.868 -6.515 -7.228 1.00 0.00 H new ATOM 0 HD2 LYS A 102 14.661 -4.248 -7.012 1.00 0.00 H new ATOM 0 HD3 LYS A 102 14.413 -4.328 -5.278 1.00 0.00 H new ATOM 0 HE2 LYS A 102 16.725 -4.386 -4.812 1.00 0.00 H new ATOM 0 HE3 LYS A 102 17.139 -4.944 -6.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 17.712 -2.623 -6.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 16.504 -2.775 -7.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 16.103 -2.234 -5.749 1.00 0.00 H new ATOM 1609 N PRO A 103 12.026 -9.170 -4.820 1.00 0.00 N ATOM 1610 CA PRO A 103 11.852 -10.549 -4.356 1.00 0.00 C ATOM 1611 C PRO A 103 10.643 -11.225 -4.992 1.00 0.00 C ATOM 1612 O PRO A 103 10.059 -10.707 -5.944 1.00 0.00 O ATOM 1613 CB PRO A 103 11.643 -10.385 -2.852 1.00 0.00 C ATOM 1614 CG PRO A 103 11.020 -9.039 -2.706 1.00 0.00 C ATOM 1615 CD PRO A 103 11.600 -8.187 -3.804 1.00 0.00 C ATOM 0 HA PRO A 103 12.700 -11.181 -4.618 1.00 0.00 H new ATOM 0 HB2 PRO A 103 10.996 -11.167 -2.454 1.00 0.00 H new ATOM 0 HB3 PRO A 103 12.587 -10.446 -2.311 1.00 0.00 H new ATOM 0 HG2 PRO A 103 9.935 -9.101 -2.793 1.00 0.00 H new ATOM 0 HG3 PRO A 103 11.238 -8.613 -1.727 1.00 0.00 H new ATOM 0 HD2 PRO A 103 10.862 -7.492 -4.204 1.00 0.00 H new ATOM 0 HD3 PRO A 103 12.439 -7.590 -3.447 1.00 0.00 H new ATOM 1623 N PHE A 104 10.272 -12.384 -4.458 1.00 0.00 N ATOM 1624 CA PHE A 104 9.130 -13.130 -4.973 1.00 0.00 C ATOM 1625 C PHE A 104 8.281 -13.680 -3.830 1.00 0.00 C ATOM 1626 O PHE A 104 7.663 -14.736 -3.955 1.00 0.00 O ATOM 1627 CB PHE A 104 9.604 -14.275 -5.869 1.00 0.00 C ATOM 1628 CG PHE A 104 10.425 -15.305 -5.147 1.00 0.00 C ATOM 1629 CD1 PHE A 104 11.795 -15.148 -5.014 1.00 0.00 C ATOM 1630 CD2 PHE A 104 9.827 -16.429 -4.602 1.00 0.00 C ATOM 1631 CE1 PHE A 104 12.554 -16.094 -4.350 1.00 0.00 C ATOM 1632 CE2 PHE A 104 10.580 -17.379 -3.937 1.00 0.00 C ATOM 1633 CZ PHE A 104 11.945 -17.210 -3.810 1.00 0.00 C ATOM 0 H PHE A 104 10.745 -12.826 -3.670 1.00 0.00 H new ATOM 0 HA PHE A 104 8.517 -12.448 -5.562 1.00 0.00 H new ATOM 0 HB2 PHE A 104 8.735 -14.761 -6.313 1.00 0.00 H new ATOM 0 HB3 PHE A 104 10.192 -13.863 -6.689 1.00 0.00 H new ATOM 0 HD1 PHE A 104 12.276 -14.277 -5.434 1.00 0.00 H new ATOM 0 HD2 PHE A 104 8.760 -16.565 -4.698 1.00 0.00 H new ATOM 0 HE1 PHE A 104 13.621 -15.961 -4.254 1.00 0.00 H new ATOM 0 HE2 PHE A 104 10.102 -18.252 -3.518 1.00 0.00 H new ATOM 0 HZ PHE A 104 12.535 -17.949 -3.289 1.00 0.00 H new ATOM 1643 N SER A 105 8.257 -12.954 -2.716 1.00 0.00 N ATOM 1644 CA SER A 105 7.484 -13.368 -1.552 1.00 0.00 C ATOM 1645 C SER A 105 6.891 -12.158 -0.835 1.00 0.00 C ATOM 1646 O SER A 105 6.963 -11.034 -1.330 1.00 0.00 O ATOM 1647 CB SER A 105 8.362 -14.166 -0.586 1.00 0.00 C ATOM 1648 OG SER A 105 9.027 -15.221 -1.258 1.00 0.00 O ATOM 0 H SER A 105 8.764 -12.077 -2.596 1.00 0.00 H new ATOM 0 HA SER A 105 6.667 -14.002 -1.897 1.00 0.00 H new ATOM 0 HB2 SER A 105 9.095 -13.505 -0.125 1.00 0.00 H new ATOM 0 HB3 SER A 105 7.748 -14.572 0.218 1.00 0.00 H new ATOM 0 HG SER A 105 9.583 -15.716 -0.621 1.00 0.00 H new ATOM 1654 N VAL A 106 6.306 -12.399 0.333 1.00 0.00 N ATOM 1655 CA VAL A 106 5.699 -11.332 1.121 1.00 0.00 C ATOM 1656 C VAL A 106 6.385 -11.177 2.477 1.00 0.00 C ATOM 1657 O VAL A 106 6.120 -10.220 3.209 1.00 0.00 O ATOM 1658 CB VAL A 106 4.195 -11.586 1.341 1.00 0.00 C ATOM 1659 CG1 VAL A 106 3.975 -12.884 2.102 1.00 0.00 C ATOM 1660 CG2 VAL A 106 3.554 -10.414 2.071 1.00 0.00 C ATOM 0 H VAL A 106 6.239 -13.325 0.756 1.00 0.00 H new ATOM 0 HA VAL A 106 5.827 -10.411 0.553 1.00 0.00 H new ATOM 0 HB VAL A 106 3.717 -11.680 0.366 1.00 0.00 H new ATOM 0 HG11 VAL A 106 2.907 -13.044 2.247 1.00 0.00 H new ATOM 0 HG12 VAL A 106 4.393 -13.715 1.533 1.00 0.00 H new ATOM 0 HG13 VAL A 106 4.468 -12.825 3.072 1.00 0.00 H new ATOM 0 HG21 VAL A 106 2.492 -10.613 2.217 1.00 0.00 H new ATOM 0 HG22 VAL A 106 4.035 -10.282 3.040 1.00 0.00 H new ATOM 0 HG23 VAL A 106 3.675 -9.507 1.479 1.00 0.00 H new ATOM 1670 N GLU A 107 7.274 -12.110 2.811 1.00 0.00 N ATOM 1671 CA GLU A 107 7.991 -12.051 4.076 1.00 0.00 C ATOM 1672 C GLU A 107 8.905 -10.833 4.111 1.00 0.00 C ATOM 1673 O GLU A 107 8.913 -10.077 5.083 1.00 0.00 O ATOM 1674 CB GLU A 107 8.803 -13.324 4.287 1.00 0.00 C ATOM 1675 CG GLU A 107 9.028 -13.667 5.750 1.00 0.00 C ATOM 1676 CD GLU A 107 10.481 -13.538 6.163 1.00 0.00 C ATOM 1677 OE1 GLU A 107 11.251 -14.494 5.931 1.00 0.00 O ATOM 1678 OE2 GLU A 107 10.849 -12.481 6.718 1.00 0.00 O ATOM 0 H GLU A 107 7.512 -12.910 2.225 1.00 0.00 H new ATOM 0 HA GLU A 107 7.262 -11.965 4.882 1.00 0.00 H new ATOM 0 HB2 GLU A 107 8.292 -14.156 3.802 1.00 0.00 H new ATOM 0 HB3 GLU A 107 9.770 -13.214 3.796 1.00 0.00 H new ATOM 0 HG2 GLU A 107 8.418 -13.011 6.371 1.00 0.00 H new ATOM 0 HG3 GLU A 107 8.690 -14.687 5.936 1.00 0.00 H new ATOM 1685 N ARG A 108 9.664 -10.641 3.035 1.00 0.00 N ATOM 1686 CA ARG A 108 10.569 -9.504 2.935 1.00 0.00 C ATOM 1687 C ARG A 108 9.790 -8.202 3.073 1.00 0.00 C ATOM 1688 O ARG A 108 10.284 -7.221 3.627 1.00 0.00 O ATOM 1689 CB ARG A 108 11.316 -9.529 1.600 1.00 0.00 C ATOM 1690 CG ARG A 108 12.758 -9.061 1.698 1.00 0.00 C ATOM 1691 CD ARG A 108 12.855 -7.544 1.670 1.00 0.00 C ATOM 1692 NE ARG A 108 12.638 -7.006 0.330 1.00 0.00 N ATOM 1693 CZ ARG A 108 12.915 -5.751 -0.018 1.00 0.00 C ATOM 1694 NH1 ARG A 108 13.418 -4.903 0.871 1.00 0.00 N ATOM 1695 NH2 ARG A 108 12.687 -5.342 -1.259 1.00 0.00 N ATOM 0 H ARG A 108 9.669 -11.258 2.223 1.00 0.00 H new ATOM 0 HA ARG A 108 11.298 -9.569 3.742 1.00 0.00 H new ATOM 0 HB2 ARG A 108 11.299 -10.544 1.203 1.00 0.00 H new ATOM 0 HB3 ARG A 108 10.786 -8.899 0.886 1.00 0.00 H new ATOM 0 HG2 ARG A 108 13.202 -9.438 2.619 1.00 0.00 H new ATOM 0 HG3 ARG A 108 13.334 -9.479 0.872 1.00 0.00 H new ATOM 0 HD2 ARG A 108 12.119 -7.121 2.354 1.00 0.00 H new ATOM 0 HD3 ARG A 108 13.837 -7.237 2.029 1.00 0.00 H new ATOM 0 HE ARG A 108 12.252 -7.628 -0.381 1.00 0.00 H new ATOM 0 HH11 ARG A 108 13.594 -5.212 1.827 1.00 0.00 H new ATOM 0 HH12 ARG A 108 13.628 -3.943 0.598 1.00 0.00 H new ATOM 0 HH21 ARG A 108 12.300 -5.989 -1.946 1.00 0.00 H new ATOM 0 HH22 ARG A 108 12.899 -4.381 -1.526 1.00 0.00 H new ATOM 1709 N PHE A 109 8.557 -8.213 2.574 1.00 0.00 N ATOM 1710 CA PHE A 109 7.690 -7.047 2.648 1.00 0.00 C ATOM 1711 C PHE A 109 7.366 -6.724 4.102 1.00 0.00 C ATOM 1712 O PHE A 109 7.292 -5.558 4.490 1.00 0.00 O ATOM 1713 CB PHE A 109 6.400 -7.298 1.859 1.00 0.00 C ATOM 1714 CG PHE A 109 5.366 -6.218 2.026 1.00 0.00 C ATOM 1715 CD1 PHE A 109 5.735 -4.882 2.033 1.00 0.00 C ATOM 1716 CD2 PHE A 109 4.027 -6.540 2.175 1.00 0.00 C ATOM 1717 CE1 PHE A 109 4.787 -3.889 2.188 1.00 0.00 C ATOM 1718 CE2 PHE A 109 3.075 -5.551 2.330 1.00 0.00 C ATOM 1719 CZ PHE A 109 3.456 -4.224 2.336 1.00 0.00 C ATOM 0 H PHE A 109 8.137 -9.020 2.113 1.00 0.00 H new ATOM 0 HA PHE A 109 8.208 -6.195 2.209 1.00 0.00 H new ATOM 0 HB2 PHE A 109 6.645 -7.393 0.801 1.00 0.00 H new ATOM 0 HB3 PHE A 109 5.972 -8.250 2.174 1.00 0.00 H new ATOM 0 HD1 PHE A 109 6.775 -4.614 1.916 1.00 0.00 H new ATOM 0 HD2 PHE A 109 3.724 -7.577 2.170 1.00 0.00 H new ATOM 0 HE1 PHE A 109 5.087 -2.852 2.193 1.00 0.00 H new ATOM 0 HE2 PHE A 109 2.034 -5.815 2.446 1.00 0.00 H new ATOM 0 HZ PHE A 109 2.714 -3.449 2.456 1.00 0.00 H new ATOM 1729 N LEU A 110 7.180 -7.770 4.902 1.00 0.00 N ATOM 1730 CA LEU A 110 6.868 -7.610 6.317 1.00 0.00 C ATOM 1731 C LEU A 110 7.919 -6.754 7.020 1.00 0.00 C ATOM 1732 O LEU A 110 7.586 -5.824 7.756 1.00 0.00 O ATOM 1733 CB LEU A 110 6.768 -8.972 6.992 1.00 0.00 C ATOM 1734 CG LEU A 110 5.386 -9.319 7.541 1.00 0.00 C ATOM 1735 CD1 LEU A 110 5.255 -10.818 7.737 1.00 0.00 C ATOM 1736 CD2 LEU A 110 5.131 -8.582 8.846 1.00 0.00 C ATOM 0 H LEU A 110 7.240 -8.740 4.592 1.00 0.00 H new ATOM 0 HA LEU A 110 5.907 -7.101 6.394 1.00 0.00 H new ATOM 0 HB2 LEU A 110 7.061 -9.739 6.275 1.00 0.00 H new ATOM 0 HB3 LEU A 110 7.487 -9.009 7.810 1.00 0.00 H new ATOM 0 HG LEU A 110 4.636 -9.001 6.817 1.00 0.00 H new ATOM 0 HD11 LEU A 110 4.264 -11.049 8.129 1.00 0.00 H new ATOM 0 HD12 LEU A 110 5.394 -11.323 6.781 1.00 0.00 H new ATOM 0 HD13 LEU A 110 6.013 -11.160 8.442 1.00 0.00 H new ATOM 0 HD21 LEU A 110 4.142 -8.841 9.223 1.00 0.00 H new ATOM 0 HD22 LEU A 110 5.885 -8.869 9.579 1.00 0.00 H new ATOM 0 HD23 LEU A 110 5.183 -7.507 8.673 1.00 0.00 H new ATOM 1748 N LEU A 111 9.189 -7.076 6.792 1.00 0.00 N ATOM 1749 CA LEU A 111 10.289 -6.341 7.405 1.00 0.00 C ATOM 1750 C LEU A 111 10.218 -4.856 7.062 1.00 0.00 C ATOM 1751 O LEU A 111 10.392 -4.001 7.929 1.00 0.00 O ATOM 1752 CB LEU A 111 11.630 -6.915 6.950 1.00 0.00 C ATOM 1753 CG LEU A 111 11.984 -8.284 7.541 1.00 0.00 C ATOM 1754 CD1 LEU A 111 12.022 -9.345 6.451 1.00 0.00 C ATOM 1755 CD2 LEU A 111 13.317 -8.224 8.274 1.00 0.00 C ATOM 0 H LEU A 111 9.481 -7.843 6.186 1.00 0.00 H new ATOM 0 HA LEU A 111 10.201 -6.448 8.486 1.00 0.00 H new ATOM 0 HB2 LEU A 111 11.623 -6.996 5.863 1.00 0.00 H new ATOM 0 HB3 LEU A 111 12.418 -6.209 7.212 1.00 0.00 H new ATOM 0 HG LEU A 111 11.210 -8.556 8.258 1.00 0.00 H new ATOM 0 HD11 LEU A 111 12.275 -10.310 6.891 1.00 0.00 H new ATOM 0 HD12 LEU A 111 11.045 -9.410 5.972 1.00 0.00 H new ATOM 0 HD13 LEU A 111 12.773 -9.077 5.708 1.00 0.00 H new ATOM 0 HD21 LEU A 111 13.550 -9.206 8.686 1.00 0.00 H new ATOM 0 HD22 LEU A 111 14.102 -7.927 7.578 1.00 0.00 H new ATOM 0 HD23 LEU A 111 13.255 -7.496 9.083 1.00 0.00 H new ATOM 1767 N THR A 112 9.960 -4.557 5.793 1.00 0.00 N ATOM 1768 CA THR A 112 9.863 -3.174 5.340 1.00 0.00 C ATOM 1769 C THR A 112 8.698 -2.464 6.020 1.00 0.00 C ATOM 1770 O THR A 112 8.804 -1.298 6.400 1.00 0.00 O ATOM 1771 CB THR A 112 9.692 -3.125 3.820 1.00 0.00 C ATOM 1772 OG1 THR A 112 10.790 -3.742 3.172 1.00 0.00 O ATOM 1773 CG2 THR A 112 9.569 -1.719 3.276 1.00 0.00 C ATOM 0 H THR A 112 9.815 -5.252 5.061 1.00 0.00 H new ATOM 0 HA THR A 112 10.786 -2.660 5.610 1.00 0.00 H new ATOM 0 HB THR A 112 8.763 -3.658 3.617 1.00 0.00 H new ATOM 0 HG1 THR A 112 10.661 -3.702 2.201 1.00 0.00 H new ATOM 0 HG21 THR A 112 9.450 -1.757 2.193 1.00 0.00 H new ATOM 0 HG22 THR A 112 8.700 -1.232 3.719 1.00 0.00 H new ATOM 0 HG23 THR A 112 10.467 -1.153 3.523 1.00 0.00 H new ATOM 1781 N ILE A 113 7.586 -3.176 6.166 1.00 0.00 N ATOM 1782 CA ILE A 113 6.396 -2.620 6.798 1.00 0.00 C ATOM 1783 C ILE A 113 6.701 -2.127 8.208 1.00 0.00 C ATOM 1784 O ILE A 113 6.417 -0.979 8.547 1.00 0.00 O ATOM 1785 CB ILE A 113 5.253 -3.663 6.845 1.00 0.00 C ATOM 1786 CG1 ILE A 113 4.394 -3.564 5.584 1.00 0.00 C ATOM 1787 CG2 ILE A 113 4.393 -3.482 8.091 1.00 0.00 C ATOM 1788 CD1 ILE A 113 3.667 -2.244 5.451 1.00 0.00 C ATOM 0 H ILE A 113 7.484 -4.142 5.854 1.00 0.00 H new ATOM 0 HA ILE A 113 6.074 -1.772 6.194 1.00 0.00 H new ATOM 0 HB ILE A 113 5.702 -4.655 6.889 1.00 0.00 H new ATOM 0 HG12 ILE A 113 5.028 -3.710 4.710 1.00 0.00 H new ATOM 0 HG13 ILE A 113 3.664 -4.373 5.587 1.00 0.00 H new ATOM 0 HG21 ILE A 113 3.599 -4.228 8.096 1.00 0.00 H new ATOM 0 HG22 ILE A 113 5.011 -3.603 8.981 1.00 0.00 H new ATOM 0 HG23 ILE A 113 3.953 -2.485 8.088 1.00 0.00 H new ATOM 0 HD11 ILE A 113 3.077 -2.244 4.534 1.00 0.00 H new ATOM 0 HD12 ILE A 113 3.007 -2.104 6.307 1.00 0.00 H new ATOM 0 HD13 ILE A 113 4.392 -1.431 5.416 1.00 0.00 H new ATOM 1800 N LYS A 114 7.284 -2.998 9.026 1.00 0.00 N ATOM 1801 CA LYS A 114 7.627 -2.640 10.395 1.00 0.00 C ATOM 1802 C LYS A 114 8.371 -1.316 10.411 1.00 0.00 C ATOM 1803 O LYS A 114 7.930 -0.346 11.027 1.00 0.00 O ATOM 1804 CB LYS A 114 8.482 -3.733 11.036 1.00 0.00 C ATOM 1805 CG LYS A 114 8.643 -3.579 12.538 1.00 0.00 C ATOM 1806 CD LYS A 114 9.861 -2.739 12.886 1.00 0.00 C ATOM 1807 CE LYS A 114 11.146 -3.385 12.394 1.00 0.00 C ATOM 1808 NZ LYS A 114 12.210 -3.369 13.434 1.00 0.00 N ATOM 0 H LYS A 114 7.527 -3.953 8.764 1.00 0.00 H new ATOM 0 HA LYS A 114 6.708 -2.539 10.972 1.00 0.00 H new ATOM 0 HB2 LYS A 114 8.033 -4.704 10.825 1.00 0.00 H new ATOM 0 HB3 LYS A 114 9.468 -3.730 10.571 1.00 0.00 H new ATOM 0 HG2 LYS A 114 7.749 -3.115 12.955 1.00 0.00 H new ATOM 0 HG3 LYS A 114 8.735 -4.563 12.998 1.00 0.00 H new ATOM 0 HD2 LYS A 114 9.759 -1.748 12.443 1.00 0.00 H new ATOM 0 HD3 LYS A 114 9.912 -2.602 13.966 1.00 0.00 H new ATOM 0 HE2 LYS A 114 10.944 -4.414 12.097 1.00 0.00 H new ATOM 0 HE3 LYS A 114 11.499 -2.861 11.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 13.013 -3.949 13.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 12.529 -2.391 13.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 11.833 -3.755 14.323 1.00 0.00 H new ATOM 1822 N HIS A 115 9.502 -1.285 9.719 1.00 0.00 N ATOM 1823 CA HIS A 115 10.315 -0.078 9.638 1.00 0.00 C ATOM 1824 C HIS A 115 9.492 1.093 9.113 1.00 0.00 C ATOM 1825 O HIS A 115 9.738 2.245 9.472 1.00 0.00 O ATOM 1826 CB HIS A 115 11.526 -0.314 8.735 1.00 0.00 C ATOM 1827 CG HIS A 115 12.440 0.868 8.639 1.00 0.00 C ATOM 1828 ND1 HIS A 115 12.655 1.561 7.467 1.00 0.00 N ATOM 1829 CD2 HIS A 115 13.199 1.480 9.580 1.00 0.00 C ATOM 1830 CE1 HIS A 115 13.505 2.547 7.688 1.00 0.00 C ATOM 1831 NE2 HIS A 115 13.850 2.521 8.962 1.00 0.00 N ATOM 0 H HIS A 115 9.878 -2.082 9.205 1.00 0.00 H new ATOM 0 HA HIS A 115 10.664 0.167 10.641 1.00 0.00 H new ATOM 0 HB2 HIS A 115 12.089 -1.168 9.111 1.00 0.00 H new ATOM 0 HB3 HIS A 115 11.178 -0.576 7.736 1.00 0.00 H new ATOM 0 HD2 HIS A 115 13.278 1.202 10.621 1.00 0.00 H new ATOM 0 HE1 HIS A 115 13.858 3.254 6.952 1.00 0.00 H new ATOM 0 HE2 HIS A 115 14.495 3.169 9.415 1.00 0.00 H new ATOM 1840 N ALA A 116 8.509 0.795 8.264 1.00 0.00 N ATOM 1841 CA ALA A 116 7.653 1.832 7.701 1.00 0.00 C ATOM 1842 C ALA A 116 6.889 2.553 8.806 1.00 0.00 C ATOM 1843 O ALA A 116 6.708 3.770 8.759 1.00 0.00 O ATOM 1844 CB ALA A 116 6.689 1.229 6.689 1.00 0.00 C ATOM 0 H ALA A 116 8.288 -0.151 7.954 1.00 0.00 H new ATOM 0 HA ALA A 116 8.281 2.561 7.189 1.00 0.00 H new ATOM 0 HB1 ALA A 116 6.056 2.015 6.277 1.00 0.00 H new ATOM 0 HB2 ALA A 116 7.254 0.758 5.884 1.00 0.00 H new ATOM 0 HB3 ALA A 116 6.066 0.482 7.180 1.00 0.00 H new ATOM 1850 N PHE A 117 6.449 1.790 9.802 1.00 0.00 N ATOM 1851 CA PHE A 117 5.710 2.347 10.925 1.00 0.00 C ATOM 1852 C PHE A 117 6.644 3.090 11.877 1.00 0.00 C ATOM 1853 O PHE A 117 6.234 4.033 12.554 1.00 0.00 O ATOM 1854 CB PHE A 117 4.980 1.231 11.674 1.00 0.00 C ATOM 1855 CG PHE A 117 3.672 0.845 11.048 1.00 0.00 C ATOM 1856 CD1 PHE A 117 2.530 1.592 11.287 1.00 0.00 C ATOM 1857 CD2 PHE A 117 3.581 -0.264 10.220 1.00 0.00 C ATOM 1858 CE1 PHE A 117 1.323 1.243 10.716 1.00 0.00 C ATOM 1859 CE2 PHE A 117 2.376 -0.618 9.646 1.00 0.00 C ATOM 1860 CZ PHE A 117 1.245 0.137 9.894 1.00 0.00 C ATOM 0 H PHE A 117 6.593 0.781 9.852 1.00 0.00 H new ATOM 0 HA PHE A 117 4.980 3.058 10.537 1.00 0.00 H new ATOM 0 HB2 PHE A 117 5.625 0.353 11.720 1.00 0.00 H new ATOM 0 HB3 PHE A 117 4.802 1.550 12.701 1.00 0.00 H new ATOM 0 HD1 PHE A 117 2.585 2.459 11.929 1.00 0.00 H new ATOM 0 HD2 PHE A 117 4.462 -0.857 10.022 1.00 0.00 H new ATOM 0 HE1 PHE A 117 0.441 1.834 10.912 1.00 0.00 H new ATOM 0 HE2 PHE A 117 2.317 -1.484 9.004 1.00 0.00 H new ATOM 0 HZ PHE A 117 0.302 -0.138 9.445 1.00 0.00 H new ATOM 1870 N GLU A 118 7.901 2.657 11.924 1.00 0.00 N ATOM 1871 CA GLU A 118 8.895 3.279 12.793 1.00 0.00 C ATOM 1872 C GLU A 118 9.031 4.770 12.496 1.00 0.00 C ATOM 1873 O GLU A 118 9.370 5.560 13.376 1.00 0.00 O ATOM 1874 CB GLU A 118 10.250 2.590 12.629 1.00 0.00 C ATOM 1875 CG GLU A 118 10.227 1.109 12.970 1.00 0.00 C ATOM 1876 CD GLU A 118 11.606 0.479 12.923 1.00 0.00 C ATOM 1877 OE1 GLU A 118 12.576 1.142 13.348 1.00 0.00 O ATOM 1878 OE2 GLU A 118 11.715 -0.677 12.464 1.00 0.00 O ATOM 0 H GLU A 118 8.255 1.877 11.370 1.00 0.00 H new ATOM 0 HA GLU A 118 8.557 3.164 13.823 1.00 0.00 H new ATOM 0 HB2 GLU A 118 10.587 2.712 11.600 1.00 0.00 H new ATOM 0 HB3 GLU A 118 10.981 3.089 13.265 1.00 0.00 H new ATOM 0 HG2 GLU A 118 9.804 0.976 13.966 1.00 0.00 H new ATOM 0 HG3 GLU A 118 9.570 0.589 12.273 1.00 0.00 H new ATOM 1885 N GLU A 119 8.765 5.148 11.249 1.00 0.00 N ATOM 1886 CA GLU A 119 8.859 6.544 10.838 1.00 0.00 C ATOM 1887 C GLU A 119 7.490 7.215 10.861 1.00 0.00 C ATOM 1888 O GLU A 119 7.225 8.133 10.086 1.00 0.00 O ATOM 1889 CB GLU A 119 9.465 6.645 9.439 1.00 0.00 C ATOM 1890 CG GLU A 119 10.909 6.177 9.367 1.00 0.00 C ATOM 1891 CD GLU A 119 11.801 7.146 8.616 1.00 0.00 C ATOM 1892 OE1 GLU A 119 12.272 8.123 9.235 1.00 0.00 O ATOM 1893 OE2 GLU A 119 12.029 6.928 7.407 1.00 0.00 O ATOM 0 H GLU A 119 8.483 4.508 10.507 1.00 0.00 H new ATOM 0 HA GLU A 119 9.507 7.061 11.546 1.00 0.00 H new ATOM 0 HB2 GLU A 119 8.865 6.053 8.748 1.00 0.00 H new ATOM 0 HB3 GLU A 119 9.410 7.680 9.102 1.00 0.00 H new ATOM 0 HG2 GLU A 119 11.294 6.044 10.378 1.00 0.00 H new ATOM 0 HG3 GLU A 119 10.947 5.202 8.880 1.00 0.00 H new ATOM 1900 N TYR A 120 6.622 6.752 11.756 1.00 0.00 N ATOM 1901 CA TYR A 120 5.282 7.311 11.880 1.00 0.00 C ATOM 1902 C TYR A 120 5.154 8.140 13.155 1.00 0.00 C ATOM 1903 O TYR A 120 4.066 8.270 13.716 1.00 0.00 O ATOM 1904 CB TYR A 120 4.238 6.193 11.879 1.00 0.00 C ATOM 1905 CG TYR A 120 2.812 6.695 11.853 1.00 0.00 C ATOM 1906 CD1 TYR A 120 2.297 7.319 10.723 1.00 0.00 C ATOM 1907 CD2 TYR A 120 1.982 6.545 12.956 1.00 0.00 C ATOM 1908 CE1 TYR A 120 0.995 7.780 10.695 1.00 0.00 C ATOM 1909 CE2 TYR A 120 0.679 7.003 12.935 1.00 0.00 C ATOM 1910 CZ TYR A 120 0.190 7.620 11.803 1.00 0.00 C ATOM 1911 OH TYR A 120 -1.107 8.078 11.778 1.00 0.00 O ATOM 0 H TYR A 120 6.824 5.992 12.405 1.00 0.00 H new ATOM 0 HA TYR A 120 5.107 7.963 11.024 1.00 0.00 H new ATOM 0 HB2 TYR A 120 4.405 5.553 11.013 1.00 0.00 H new ATOM 0 HB3 TYR A 120 4.380 5.574 12.765 1.00 0.00 H new ATOM 0 HD1 TYR A 120 2.924 7.445 9.853 1.00 0.00 H new ATOM 0 HD2 TYR A 120 2.361 6.062 13.845 1.00 0.00 H new ATOM 0 HE1 TYR A 120 0.609 8.263 9.810 1.00 0.00 H new ATOM 0 HE2 TYR A 120 0.046 6.878 13.801 1.00 0.00 H new ATOM 0 HH TYR A 120 -1.538 7.886 12.637 1.00 0.00 H new ATOM 1921 N SER A 121 6.272 8.701 13.607 1.00 0.00 N ATOM 1922 CA SER A 121 6.283 9.517 14.814 1.00 0.00 C ATOM 1923 C SER A 121 7.205 10.720 14.649 1.00 0.00 C ATOM 1924 O SER A 121 7.682 11.290 15.630 1.00 0.00 O ATOM 1925 CB SER A 121 6.728 8.680 16.016 1.00 0.00 C ATOM 1926 OG SER A 121 6.223 9.218 17.226 1.00 0.00 O ATOM 0 H SER A 121 7.181 8.605 13.155 1.00 0.00 H new ATOM 0 HA SER A 121 5.270 9.880 14.987 1.00 0.00 H new ATOM 0 HB2 SER A 121 6.380 7.654 15.897 1.00 0.00 H new ATOM 0 HB3 SER A 121 7.817 8.645 16.056 1.00 0.00 H new ATOM 0 HG SER A 121 6.420 10.177 17.265 1.00 0.00 H new TER 1932 SER A 121