USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 732 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 GLY N :NH3+ -116:sc= 0.0926 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= -0.0175 X(o=-0.017,f=-0.12) USER MOD Single : A 4 MET CE :methyl -127:sc= -0.148 (180deg=-1.43!) USER MOD Single : A 18 THR OG1 : rot -28:sc= 1.18 USER MOD Single : A 27 THR OG1 : rot -100:sc= 1.08 USER MOD Single : A 28 SER OG : rot -140:sc= -1.83 USER MOD Single : A 29 THR OG1 : rot 95:sc= 1.01 USER MOD Single : A 31 THR OG1 : rot 84:sc= 1.11 USER MOD Single : A 35 HIS : no HD1:sc= -0.283 X(o=-0.28,f=-0.043) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.034 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= 0.496 X(o=0.5,f=0) USER MOD Single : A 65 ASN : amide:sc= 0.676 K(o=0.68,f=-3.9!) USER MOD Single : A 68 THR OG1 : rot -80:sc= -0.596 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.108 USER MOD Single : A 80 HIS : no HE2:sc= -11.3! C(o=-11!,f=-20!) USER MOD Single : A 82 ASN : amide:sc= -0.569 X(o=-0.57,f=-0.53) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -4.532 5.344 20.650 1.00 0.00 N ATOM 2 CA GLY A 1 -5.941 5.686 20.740 1.00 0.00 C ATOM 3 C GLY A 1 -6.340 5.992 22.186 1.00 0.00 C ATOM 4 O GLY A 1 -5.533 5.840 23.101 1.00 0.00 O ATOM 0 H1 GLY A 1 -4.037 6.059 20.079 1.00 0.00 H new ATOM 0 H2 GLY A 1 -4.120 5.317 21.604 1.00 0.00 H new ATOM 0 H3 GLY A 1 -4.429 4.411 20.202 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.150 6.551 20.111 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -6.544 4.862 20.359 1.00 0.00 H new ATOM 8 N SER A 2 -7.585 6.417 22.345 1.00 0.00 N ATOM 9 CA SER A 2 -8.100 6.745 23.663 1.00 0.00 C ATOM 10 C SER A 2 -7.397 7.992 24.204 1.00 0.00 C ATOM 11 O SER A 2 -6.210 8.196 23.956 1.00 0.00 O ATOM 12 CB SER A 2 -7.924 5.574 24.631 1.00 0.00 C ATOM 13 OG SER A 2 -9.141 4.863 24.836 1.00 0.00 O ATOM 0 H SER A 2 -8.252 6.542 21.583 1.00 0.00 H new ATOM 0 HA SER A 2 -9.167 6.948 23.572 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.167 4.893 24.242 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.556 5.946 25.587 1.00 0.00 H new ATOM 0 HG SER A 2 -8.986 4.122 25.459 1.00 0.00 H new ATOM 19 N HIS A 3 -8.160 8.793 24.934 1.00 0.00 N ATOM 20 CA HIS A 3 -7.625 10.014 25.512 1.00 0.00 C ATOM 21 C HIS A 3 -7.072 10.909 24.401 1.00 0.00 C ATOM 22 O HIS A 3 -7.087 10.531 23.230 1.00 0.00 O ATOM 23 CB HIS A 3 -6.585 9.695 26.588 1.00 0.00 C ATOM 24 CG HIS A 3 -7.169 9.116 27.855 1.00 0.00 C ATOM 25 ND1 HIS A 3 -8.212 9.714 28.541 1.00 0.00 N ATOM 26 CD2 HIS A 3 -6.847 7.989 28.552 1.00 0.00 C ATOM 27 CE1 HIS A 3 -8.496 8.972 29.601 1.00 0.00 C ATOM 28 NE2 HIS A 3 -7.648 7.904 29.606 1.00 0.00 N ATOM 0 H HIS A 3 -9.144 8.620 25.138 1.00 0.00 H new ATOM 0 HA HIS A 3 -8.423 10.564 26.011 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -5.859 8.991 26.180 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -6.041 10.607 26.835 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -6.071 7.285 28.290 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -9.264 9.177 30.332 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -7.632 7.162 30.305 1.00 0.00 H new ATOM 36 N MET A 4 -6.599 12.078 24.807 1.00 0.00 N ATOM 37 CA MET A 4 -6.043 13.030 23.861 1.00 0.00 C ATOM 38 C MET A 4 -4.646 12.600 23.407 1.00 0.00 C ATOM 39 O MET A 4 -3.691 13.367 23.518 1.00 0.00 O ATOM 40 CB MET A 4 -5.966 14.412 24.512 1.00 0.00 C ATOM 41 CG MET A 4 -7.324 14.825 25.083 1.00 0.00 C ATOM 42 SD MET A 4 -8.312 15.594 23.811 1.00 0.00 S ATOM 43 CE MET A 4 -9.255 14.184 23.256 1.00 0.00 C ATOM 0 H MET A 4 -6.589 12.388 25.779 1.00 0.00 H new ATOM 0 HA MET A 4 -6.693 13.067 22.987 1.00 0.00 H new ATOM 0 HB2 MET A 4 -5.221 14.402 25.307 1.00 0.00 H new ATOM 0 HB3 MET A 4 -5.638 15.147 23.777 1.00 0.00 H new ATOM 0 HG2 MET A 4 -7.842 13.952 25.479 1.00 0.00 H new ATOM 0 HG3 MET A 4 -7.183 15.516 25.914 1.00 0.00 H new ATOM 0 HE1 MET A 4 -9.156 14.083 22.175 1.00 0.00 H new ATOM 0 HE2 MET A 4 -8.881 13.282 23.741 1.00 0.00 H new ATOM 0 HE3 MET A 4 -10.305 14.325 23.513 1.00 0.00 H new ATOM 53 N LEU A 5 -4.572 11.376 22.907 1.00 0.00 N ATOM 54 CA LEU A 5 -3.308 10.835 22.436 1.00 0.00 C ATOM 55 C LEU A 5 -2.730 11.760 21.363 1.00 0.00 C ATOM 56 O LEU A 5 -3.147 12.911 21.240 1.00 0.00 O ATOM 57 CB LEU A 5 -3.484 9.388 21.971 1.00 0.00 C ATOM 58 CG LEU A 5 -4.238 9.194 20.654 1.00 0.00 C ATOM 59 CD1 LEU A 5 -5.342 10.241 20.495 1.00 0.00 C ATOM 60 CD2 LEU A 5 -3.275 9.192 19.465 1.00 0.00 C ATOM 0 H LEU A 5 -5.367 10.743 22.818 1.00 0.00 H new ATOM 0 HA LEU A 5 -2.583 10.798 23.249 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -2.497 8.937 21.871 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -4.009 8.838 22.752 1.00 0.00 H new ATOM 0 HG LEU A 5 -4.721 8.217 20.678 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -5.862 10.081 19.551 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -6.050 10.151 21.319 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -4.902 11.238 20.502 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -3.837 9.052 18.542 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -2.743 10.143 19.426 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -2.558 8.379 19.579 1.00 0.00 H new ATOM 72 N ARG A 6 -1.780 11.222 20.613 1.00 0.00 N ATOM 73 CA ARG A 6 -1.141 11.985 19.554 1.00 0.00 C ATOM 74 C ARG A 6 -2.127 12.234 18.410 1.00 0.00 C ATOM 75 O ARG A 6 -1.870 11.851 17.270 1.00 0.00 O ATOM 76 CB ARG A 6 0.086 11.251 19.009 1.00 0.00 C ATOM 77 CG ARG A 6 1.358 11.701 19.730 1.00 0.00 C ATOM 78 CD ARG A 6 1.724 10.730 20.855 1.00 0.00 C ATOM 79 NE ARG A 6 1.422 11.340 22.168 1.00 0.00 N ATOM 80 CZ ARG A 6 1.932 10.906 23.340 1.00 0.00 C ATOM 81 NH1 ARG A 6 2.777 9.853 23.372 1.00 0.00 N ATOM 82 NH2 ARG A 6 1.594 11.527 24.455 1.00 0.00 N ATOM 0 H ARG A 6 -1.437 10.267 20.717 1.00 0.00 H new ATOM 0 HA ARG A 6 -0.822 12.937 19.978 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -0.045 10.176 19.131 1.00 0.00 H new ATOM 0 HB3 ARG A 6 0.183 11.441 17.940 1.00 0.00 H new ATOM 0 HG2 ARG A 6 2.181 11.765 19.018 1.00 0.00 H new ATOM 0 HG3 ARG A 6 1.213 12.700 20.140 1.00 0.00 H new ATOM 0 HD2 ARG A 6 1.167 9.800 20.740 1.00 0.00 H new ATOM 0 HD3 ARG A 6 2.782 10.476 20.797 1.00 0.00 H new ATOM 0 HE ARG A 6 0.788 12.139 22.189 1.00 0.00 H new ATOM 0 HH11 ARG A 6 3.034 9.379 22.506 1.00 0.00 H new ATOM 0 HH12 ARG A 6 3.158 9.532 24.262 1.00 0.00 H new ATOM 0 HH21 ARG A 6 0.956 12.322 24.423 1.00 0.00 H new ATOM 0 HH22 ARG A 6 1.971 11.211 25.349 1.00 0.00 H new ATOM 95 N ASP A 7 -3.234 12.875 18.755 1.00 0.00 N ATOM 96 CA ASP A 7 -4.259 13.180 17.771 1.00 0.00 C ATOM 97 C ASP A 7 -3.593 13.634 16.471 1.00 0.00 C ATOM 98 O ASP A 7 -4.134 13.423 15.386 1.00 0.00 O ATOM 99 CB ASP A 7 -5.169 14.310 18.256 1.00 0.00 C ATOM 100 CG ASP A 7 -6.651 13.945 18.367 1.00 0.00 C ATOM 101 OD1 ASP A 7 -7.009 12.874 18.878 1.00 0.00 O ATOM 102 OD2 ASP A 7 -7.466 14.826 17.894 1.00 0.00 O ATOM 0 H ASP A 7 -3.444 13.191 19.702 1.00 0.00 H new ATOM 0 HA ASP A 7 -4.854 12.280 17.614 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -4.819 14.645 19.232 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -5.068 15.155 17.575 1.00 0.00 H new ATOM 108 N ARG A 8 -2.430 14.249 16.623 1.00 0.00 N ATOM 109 CA ARG A 8 -1.684 14.734 15.474 1.00 0.00 C ATOM 110 C ARG A 8 -1.638 13.665 14.381 1.00 0.00 C ATOM 111 O ARG A 8 -1.531 13.985 13.198 1.00 0.00 O ATOM 112 CB ARG A 8 -0.256 15.116 15.866 1.00 0.00 C ATOM 113 CG ARG A 8 0.031 16.582 15.533 1.00 0.00 C ATOM 114 CD ARG A 8 -0.759 17.517 16.450 1.00 0.00 C ATOM 115 NE ARG A 8 0.145 18.130 17.448 1.00 0.00 N ATOM 116 CZ ARG A 8 -0.277 18.799 18.542 1.00 0.00 C ATOM 117 NH1 ARG A 8 -1.596 18.948 18.787 1.00 0.00 N ATOM 118 NH2 ARG A 8 0.619 19.306 19.368 1.00 0.00 N ATOM 0 H ARG A 8 -1.985 14.423 17.524 1.00 0.00 H new ATOM 0 HA ARG A 8 -2.194 15.621 15.098 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -0.110 14.947 16.933 1.00 0.00 H new ATOM 0 HB3 ARG A 8 0.453 14.475 15.342 1.00 0.00 H new ATOM 0 HG2 ARG A 8 1.098 16.780 15.637 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -0.230 16.780 14.493 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -1.243 18.295 15.860 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -1.549 16.962 16.955 1.00 0.00 H new ATOM 0 HE ARG A 8 1.150 18.042 17.300 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -2.282 18.554 18.143 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -1.907 19.455 19.616 1.00 0.00 H new ATOM 0 HH21 ARG A 8 1.614 19.190 19.175 1.00 0.00 H new ATOM 0 HH22 ARG A 8 0.317 19.814 20.199 1.00 0.00 H new ATOM 131 N LEU A 9 -1.719 12.416 14.815 1.00 0.00 N ATOM 132 CA LEU A 9 -1.688 11.297 13.889 1.00 0.00 C ATOM 133 C LEU A 9 -2.771 11.490 12.826 1.00 0.00 C ATOM 134 O LEU A 9 -2.606 11.070 11.682 1.00 0.00 O ATOM 135 CB LEU A 9 -1.797 9.972 14.645 1.00 0.00 C ATOM 136 CG LEU A 9 -0.614 9.614 15.546 1.00 0.00 C ATOM 137 CD1 LEU A 9 -0.884 8.322 16.320 1.00 0.00 C ATOM 138 CD2 LEU A 9 0.685 9.538 14.741 1.00 0.00 C ATOM 0 H LEU A 9 -1.806 12.154 15.797 1.00 0.00 H new ATOM 0 HA LEU A 9 -0.732 11.261 13.367 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -2.699 9.999 15.257 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -1.929 9.171 13.917 1.00 0.00 H new ATOM 0 HG LEU A 9 -0.492 10.410 16.281 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -0.027 8.091 16.953 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -1.770 8.449 16.942 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -1.047 7.505 15.618 1.00 0.00 H new ATOM 0 HD21 LEU A 9 1.510 9.282 15.405 1.00 0.00 H new ATOM 0 HD22 LEU A 9 0.590 8.774 13.969 1.00 0.00 H new ATOM 0 HD23 LEU A 9 0.881 10.503 14.274 1.00 0.00 H new ATOM 150 N ALA A 10 -3.856 12.127 13.242 1.00 0.00 N ATOM 151 CA ALA A 10 -4.967 12.381 12.340 1.00 0.00 C ATOM 152 C ALA A 10 -4.692 13.660 11.546 1.00 0.00 C ATOM 153 O ALA A 10 -5.602 14.232 10.948 1.00 0.00 O ATOM 154 CB ALA A 10 -6.268 12.461 13.141 1.00 0.00 C ATOM 0 H ALA A 10 -3.989 12.475 14.192 1.00 0.00 H new ATOM 0 HA ALA A 10 -5.074 11.565 11.625 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -7.101 12.652 12.464 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -6.433 11.518 13.663 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -6.199 13.270 13.868 1.00 0.00 H new ATOM 160 N GLY A 11 -3.432 14.071 11.566 1.00 0.00 N ATOM 161 CA GLY A 11 -3.026 15.272 10.856 1.00 0.00 C ATOM 162 C GLY A 11 -1.719 15.042 10.094 1.00 0.00 C ATOM 163 O GLY A 11 -1.027 15.995 9.739 1.00 0.00 O ATOM 0 H GLY A 11 -2.680 13.594 12.062 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -3.810 15.570 10.160 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -2.900 16.092 11.563 1.00 0.00 H new ATOM 167 N LEU A 12 -1.421 13.772 9.864 1.00 0.00 N ATOM 168 CA LEU A 12 -0.210 13.404 9.150 1.00 0.00 C ATOM 169 C LEU A 12 -0.387 13.710 7.662 1.00 0.00 C ATOM 170 O LEU A 12 -1.512 13.782 7.169 1.00 0.00 O ATOM 171 CB LEU A 12 0.162 11.949 9.438 1.00 0.00 C ATOM 172 CG LEU A 12 0.101 11.519 10.906 1.00 0.00 C ATOM 173 CD1 LEU A 12 -0.283 10.043 11.029 1.00 0.00 C ATOM 174 CD2 LEU A 12 1.415 11.831 11.624 1.00 0.00 C ATOM 0 H LEU A 12 -1.998 12.984 10.160 1.00 0.00 H new ATOM 0 HA LEU A 12 0.633 13.999 9.500 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.503 11.304 8.863 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.173 11.774 9.070 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.680 12.097 11.399 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.319 9.763 12.082 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -1.262 9.883 10.577 1.00 0.00 H new ATOM 0 HD13 LEU A 12 0.458 9.430 10.516 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.345 11.516 12.665 1.00 0.00 H new ATOM 0 HD22 LEU A 12 2.231 11.297 11.137 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.607 12.903 11.582 1.00 0.00 H new ATOM 186 N PRO A 13 0.770 13.887 6.969 1.00 0.00 N ATOM 187 CA PRO A 13 0.753 14.184 5.547 1.00 0.00 C ATOM 188 C PRO A 13 0.414 12.935 4.730 1.00 0.00 C ATOM 189 O PRO A 13 0.301 11.841 5.281 1.00 0.00 O ATOM 190 CB PRO A 13 2.136 14.736 5.243 1.00 0.00 C ATOM 191 CG PRO A 13 3.022 14.296 6.397 1.00 0.00 C ATOM 192 CD PRO A 13 2.120 13.810 7.520 1.00 0.00 C ATOM 0 HA PRO A 13 -0.017 14.907 5.278 1.00 0.00 H new ATOM 0 HB2 PRO A 13 2.510 14.351 4.294 1.00 0.00 H new ATOM 0 HB3 PRO A 13 2.113 15.823 5.160 1.00 0.00 H new ATOM 0 HG2 PRO A 13 3.697 13.501 6.079 1.00 0.00 H new ATOM 0 HG3 PRO A 13 3.643 15.124 6.738 1.00 0.00 H new ATOM 0 HD2 PRO A 13 2.370 12.791 7.816 1.00 0.00 H new ATOM 0 HD3 PRO A 13 2.222 14.434 8.408 1.00 0.00 H new ATOM 200 N ARG A 14 0.262 13.141 3.430 1.00 0.00 N ATOM 201 CA ARG A 14 -0.061 12.045 2.532 1.00 0.00 C ATOM 202 C ARG A 14 0.788 10.817 2.867 1.00 0.00 C ATOM 203 O ARG A 14 0.257 9.723 3.053 1.00 0.00 O ATOM 204 CB ARG A 14 0.178 12.439 1.073 1.00 0.00 C ATOM 205 CG ARG A 14 -1.026 12.074 0.202 1.00 0.00 C ATOM 206 CD ARG A 14 -0.965 12.794 -1.146 1.00 0.00 C ATOM 207 NE ARG A 14 -1.876 12.139 -2.111 1.00 0.00 N ATOM 208 CZ ARG A 14 -3.202 12.380 -2.183 1.00 0.00 C ATOM 209 NH1 ARG A 14 -3.784 13.265 -1.346 1.00 0.00 N ATOM 210 NH2 ARG A 14 -3.921 11.737 -3.085 1.00 0.00 N ATOM 0 H ARG A 14 0.356 14.050 2.977 1.00 0.00 H new ATOM 0 HA ARG A 14 -1.117 11.808 2.664 1.00 0.00 H new ATOM 0 HB2 ARG A 14 0.367 13.511 1.008 1.00 0.00 H new ATOM 0 HB3 ARG A 14 1.069 11.935 0.698 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -1.050 10.996 0.042 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -1.948 12.340 0.719 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -1.245 13.840 -1.022 1.00 0.00 H new ATOM 0 HD3 ARG A 14 0.055 12.780 -1.529 1.00 0.00 H new ATOM 0 HE ARG A 14 -1.477 11.463 -2.762 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -3.221 13.757 -0.653 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -4.787 13.441 -1.407 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -3.473 11.070 -3.714 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -4.924 11.907 -3.153 1.00 0.00 H new ATOM 223 N ALA A 15 2.092 11.038 2.933 1.00 0.00 N ATOM 224 CA ALA A 15 3.020 9.963 3.242 1.00 0.00 C ATOM 225 C ALA A 15 2.432 9.092 4.354 1.00 0.00 C ATOM 226 O ALA A 15 1.934 7.999 4.093 1.00 0.00 O ATOM 227 CB ALA A 15 4.379 10.555 3.621 1.00 0.00 C ATOM 0 H ALA A 15 2.529 11.947 2.778 1.00 0.00 H new ATOM 0 HA ALA A 15 3.174 9.326 2.371 1.00 0.00 H new ATOM 0 HB1 ALA A 15 5.075 9.749 3.853 1.00 0.00 H new ATOM 0 HB2 ALA A 15 4.766 11.140 2.787 1.00 0.00 H new ATOM 0 HB3 ALA A 15 4.265 11.198 4.494 1.00 0.00 H new ATOM 233 N GLU A 16 2.510 9.610 5.571 1.00 0.00 N ATOM 234 CA GLU A 16 1.992 8.894 6.724 1.00 0.00 C ATOM 235 C GLU A 16 0.588 8.361 6.430 1.00 0.00 C ATOM 236 O GLU A 16 0.253 7.240 6.812 1.00 0.00 O ATOM 237 CB GLU A 16 1.991 9.784 7.968 1.00 0.00 C ATOM 238 CG GLU A 16 2.946 9.240 9.032 1.00 0.00 C ATOM 239 CD GLU A 16 4.404 9.419 8.604 1.00 0.00 C ATOM 240 OE1 GLU A 16 4.736 10.408 7.933 1.00 0.00 O ATOM 241 OE2 GLU A 16 5.206 8.486 8.993 1.00 0.00 O ATOM 0 H GLU A 16 2.924 10.517 5.784 1.00 0.00 H new ATOM 0 HA GLU A 16 2.647 8.046 6.925 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.285 10.797 7.695 1.00 0.00 H new ATOM 0 HB3 GLU A 16 0.982 9.844 8.376 1.00 0.00 H new ATOM 0 HG2 GLU A 16 2.775 9.756 9.977 1.00 0.00 H new ATOM 0 HG3 GLU A 16 2.741 8.183 9.204 1.00 0.00 H new ATOM 249 N ARG A 17 -0.196 9.189 5.756 1.00 0.00 N ATOM 250 CA ARG A 17 -1.556 8.815 5.407 1.00 0.00 C ATOM 251 C ARG A 17 -1.552 7.580 4.503 1.00 0.00 C ATOM 252 O ARG A 17 -2.468 6.761 4.561 1.00 0.00 O ATOM 253 CB ARG A 17 -2.276 9.959 4.691 1.00 0.00 C ATOM 254 CG ARG A 17 -3.793 9.830 4.837 1.00 0.00 C ATOM 255 CD ARG A 17 -4.233 10.120 6.273 1.00 0.00 C ATOM 256 NE ARG A 17 -3.855 11.500 6.649 1.00 0.00 N ATOM 257 CZ ARG A 17 -4.429 12.609 6.136 1.00 0.00 C ATOM 258 NH1 ARG A 17 -5.415 12.507 5.218 1.00 0.00 N ATOM 259 NH2 ARG A 17 -4.013 13.793 6.544 1.00 0.00 N ATOM 0 H ARG A 17 0.085 10.118 5.442 1.00 0.00 H new ATOM 0 HA ARG A 17 -2.085 8.591 6.333 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -1.948 10.914 5.102 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -2.008 9.958 3.635 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -4.288 10.522 4.155 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -4.105 8.825 4.553 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -5.312 9.992 6.365 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -3.768 9.408 6.955 1.00 0.00 H new ATOM 0 HE ARG A 17 -3.114 11.621 7.339 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -5.730 11.588 4.908 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -5.844 13.349 4.835 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -3.268 13.861 7.237 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -4.436 14.640 6.166 1.00 0.00 H new ATOM 272 N THR A 18 -0.511 7.485 3.689 1.00 0.00 N ATOM 273 CA THR A 18 -0.375 6.364 2.775 1.00 0.00 C ATOM 274 C THR A 18 0.183 5.143 3.508 1.00 0.00 C ATOM 275 O THR A 18 -0.266 4.020 3.282 1.00 0.00 O ATOM 276 CB THR A 18 0.492 6.816 1.599 1.00 0.00 C ATOM 277 OG1 THR A 18 -0.278 7.837 0.971 1.00 0.00 O ATOM 278 CG2 THR A 18 0.627 5.737 0.522 1.00 0.00 C ATOM 0 H THR A 18 0.247 8.166 3.643 1.00 0.00 H new ATOM 0 HA THR A 18 -1.343 6.053 2.383 1.00 0.00 H new ATOM 0 HB THR A 18 1.482 7.092 1.964 1.00 0.00 H new ATOM 0 HG1 THR A 18 -1.231 7.675 1.134 1.00 0.00 H new ATOM 0 HG21 THR A 18 1.252 6.109 -0.290 1.00 0.00 H new ATOM 0 HG22 THR A 18 1.085 4.847 0.954 1.00 0.00 H new ATOM 0 HG23 THR A 18 -0.360 5.485 0.134 1.00 0.00 H new ATOM 286 N ALA A 19 1.154 5.403 4.371 1.00 0.00 N ATOM 287 CA ALA A 19 1.779 4.339 5.138 1.00 0.00 C ATOM 288 C ALA A 19 0.793 3.830 6.192 1.00 0.00 C ATOM 289 O ALA A 19 0.714 2.628 6.444 1.00 0.00 O ATOM 290 CB ALA A 19 3.080 4.852 5.757 1.00 0.00 C ATOM 0 H ALA A 19 1.523 6.336 4.556 1.00 0.00 H new ATOM 0 HA ALA A 19 2.035 3.499 4.492 1.00 0.00 H new ATOM 0 HB1 ALA A 19 3.549 4.054 6.332 1.00 0.00 H new ATOM 0 HB2 ALA A 19 3.757 5.175 4.966 1.00 0.00 H new ATOM 0 HB3 ALA A 19 2.863 5.694 6.415 1.00 0.00 H new ATOM 296 N GLU A 20 0.066 4.769 6.779 1.00 0.00 N ATOM 297 CA GLU A 20 -0.911 4.431 7.800 1.00 0.00 C ATOM 298 C GLU A 20 -2.061 3.628 7.188 1.00 0.00 C ATOM 299 O GLU A 20 -2.568 2.693 7.806 1.00 0.00 O ATOM 300 CB GLU A 20 -1.431 5.688 8.499 1.00 0.00 C ATOM 301 CG GLU A 20 -2.550 6.344 7.687 1.00 0.00 C ATOM 302 CD GLU A 20 -3.122 7.558 8.423 1.00 0.00 C ATOM 303 OE1 GLU A 20 -4.283 7.530 8.857 1.00 0.00 O ATOM 304 OE2 GLU A 20 -2.313 8.557 8.537 1.00 0.00 O ATOM 0 H GLU A 20 0.134 5.764 6.567 1.00 0.00 H new ATOM 0 HA GLU A 20 -0.422 3.813 8.553 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -1.800 5.430 9.492 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -0.614 6.396 8.637 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -2.166 6.652 6.714 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -3.343 5.619 7.502 1.00 0.00 H new ATOM 312 N LEU A 21 -2.440 4.023 5.981 1.00 0.00 N ATOM 313 CA LEU A 21 -3.521 3.352 5.279 1.00 0.00 C ATOM 314 C LEU A 21 -3.195 1.863 5.154 1.00 0.00 C ATOM 315 O LEU A 21 -4.043 1.013 5.423 1.00 0.00 O ATOM 316 CB LEU A 21 -3.795 4.036 3.938 1.00 0.00 C ATOM 317 CG LEU A 21 -5.083 4.858 3.855 1.00 0.00 C ATOM 318 CD1 LEU A 21 -6.311 3.977 4.096 1.00 0.00 C ATOM 319 CD2 LEU A 21 -5.036 6.050 4.813 1.00 0.00 C ATOM 0 H LEU A 21 -2.018 4.799 5.472 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.449 3.429 5.846 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.954 4.691 3.708 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -3.825 3.271 3.162 1.00 0.00 H new ATOM 0 HG LEU A 21 -5.167 5.260 2.845 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -7.213 4.585 4.032 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -6.349 3.191 3.342 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -6.247 3.527 5.087 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -5.963 6.617 4.734 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.916 5.691 5.835 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.195 6.692 4.553 1.00 0.00 H new ATOM 331 N VAL A 22 -1.964 1.591 4.746 1.00 0.00 N ATOM 332 CA VAL A 22 -1.516 0.219 4.582 1.00 0.00 C ATOM 333 C VAL A 22 -1.548 -0.489 5.938 1.00 0.00 C ATOM 334 O VAL A 22 -2.303 -1.441 6.128 1.00 0.00 O ATOM 335 CB VAL A 22 -0.133 0.195 3.927 1.00 0.00 C ATOM 336 CG1 VAL A 22 0.540 -1.167 4.117 1.00 0.00 C ATOM 337 CG2 VAL A 22 -0.222 0.561 2.445 1.00 0.00 C ATOM 0 H VAL A 22 -1.263 2.298 4.524 1.00 0.00 H new ATOM 0 HA VAL A 22 -2.186 -0.325 3.916 1.00 0.00 H new ATOM 0 HB VAL A 22 0.485 0.945 4.420 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.521 -1.157 3.642 1.00 0.00 H new ATOM 0 HG12 VAL A 22 0.654 -1.371 5.182 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -0.075 -1.943 3.663 1.00 0.00 H new ATOM 0 HG21 VAL A 22 0.774 0.536 2.004 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -0.864 -0.155 1.931 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -0.640 1.562 2.342 1.00 0.00 H new ATOM 347 N ARG A 23 -0.719 0.004 6.846 1.00 0.00 N ATOM 348 CA ARG A 23 -0.642 -0.570 8.179 1.00 0.00 C ATOM 349 C ARG A 23 -2.048 -0.817 8.732 1.00 0.00 C ATOM 350 O ARG A 23 -2.278 -1.800 9.434 1.00 0.00 O ATOM 351 CB ARG A 23 0.118 0.353 9.133 1.00 0.00 C ATOM 352 CG ARG A 23 1.321 -0.365 9.749 1.00 0.00 C ATOM 353 CD ARG A 23 2.439 0.625 10.083 1.00 0.00 C ATOM 354 NE ARG A 23 2.455 0.897 11.537 1.00 0.00 N ATOM 355 CZ ARG A 23 3.540 1.330 12.214 1.00 0.00 C ATOM 356 NH1 ARG A 23 4.709 1.543 11.572 1.00 0.00 N ATOM 357 NH2 ARG A 23 3.442 1.541 13.513 1.00 0.00 N ATOM 0 H ARG A 23 -0.095 0.794 6.685 1.00 0.00 H new ATOM 0 HA ARG A 23 -0.106 -1.516 8.102 1.00 0.00 H new ATOM 0 HB2 ARG A 23 0.455 1.239 8.596 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -0.550 0.694 9.924 1.00 0.00 H new ATOM 0 HG2 ARG A 23 1.012 -0.889 10.654 1.00 0.00 H new ATOM 0 HG3 ARG A 23 1.693 -1.119 9.055 1.00 0.00 H new ATOM 0 HD2 ARG A 23 3.401 0.219 9.770 1.00 0.00 H new ATOM 0 HD3 ARG A 23 2.290 1.554 9.532 1.00 0.00 H new ATOM 0 HE ARG A 23 1.593 0.748 12.061 1.00 0.00 H new ATOM 0 HH11 ARG A 23 4.777 1.377 10.568 1.00 0.00 H new ATOM 0 HH12 ARG A 23 5.524 1.870 12.091 1.00 0.00 H new ATOM 0 HH21 ARG A 23 2.556 1.377 13.991 1.00 0.00 H new ATOM 0 HH22 ARG A 23 4.252 1.868 14.039 1.00 0.00 H new ATOM 370 N LEU A 24 -2.950 0.093 8.395 1.00 0.00 N ATOM 371 CA LEU A 24 -4.326 -0.014 8.848 1.00 0.00 C ATOM 372 C LEU A 24 -5.009 -1.176 8.124 1.00 0.00 C ATOM 373 O LEU A 24 -5.541 -2.083 8.762 1.00 0.00 O ATOM 374 CB LEU A 24 -5.050 1.324 8.683 1.00 0.00 C ATOM 375 CG LEU A 24 -6.510 1.357 9.139 1.00 0.00 C ATOM 376 CD1 LEU A 24 -6.925 2.771 9.548 1.00 0.00 C ATOM 377 CD2 LEU A 24 -7.433 0.777 8.064 1.00 0.00 C ATOM 0 H LEU A 24 -2.755 0.908 7.813 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.359 -0.239 9.914 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.499 2.083 9.238 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.012 1.608 7.631 1.00 0.00 H new ATOM 0 HG LEU A 24 -6.606 0.725 10.022 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -7.967 2.766 9.868 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -6.295 3.112 10.370 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.809 3.444 8.699 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -8.465 0.812 8.413 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -7.339 1.362 7.149 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -7.153 -0.257 7.863 1.00 0.00 H new ATOM 389 N VAL A 25 -4.971 -1.111 6.801 1.00 0.00 N ATOM 390 CA VAL A 25 -5.579 -2.146 5.983 1.00 0.00 C ATOM 391 C VAL A 25 -5.113 -3.518 6.476 1.00 0.00 C ATOM 392 O VAL A 25 -5.933 -4.380 6.790 1.00 0.00 O ATOM 393 CB VAL A 25 -5.261 -1.901 4.507 1.00 0.00 C ATOM 394 CG1 VAL A 25 -5.527 -3.156 3.673 1.00 0.00 C ATOM 395 CG2 VAL A 25 -6.050 -0.707 3.967 1.00 0.00 C ATOM 0 H VAL A 25 -4.528 -0.357 6.275 1.00 0.00 H new ATOM 0 HA VAL A 25 -6.665 -2.118 6.076 1.00 0.00 H new ATOM 0 HB VAL A 25 -4.200 -1.665 4.428 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -5.293 -2.955 2.628 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -4.901 -3.972 4.034 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -6.577 -3.436 3.762 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -5.805 -0.555 2.916 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -7.118 -0.902 4.067 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -5.790 0.187 4.533 1.00 0.00 H new ATOM 405 N ARG A 26 -3.799 -3.678 6.527 1.00 0.00 N ATOM 406 CA ARG A 26 -3.214 -4.930 6.976 1.00 0.00 C ATOM 407 C ARG A 26 -3.945 -5.442 8.219 1.00 0.00 C ATOM 408 O ARG A 26 -4.680 -6.426 8.150 1.00 0.00 O ATOM 409 CB ARG A 26 -1.729 -4.760 7.300 1.00 0.00 C ATOM 410 CG ARG A 26 -0.862 -5.080 6.080 1.00 0.00 C ATOM 411 CD ARG A 26 0.420 -4.244 6.084 1.00 0.00 C ATOM 412 NE ARG A 26 1.470 -4.931 6.870 1.00 0.00 N ATOM 413 CZ ARG A 26 2.592 -4.331 7.321 1.00 0.00 C ATOM 414 NH1 ARG A 26 2.819 -3.024 7.068 1.00 0.00 N ATOM 415 NH2 ARG A 26 3.463 -5.040 8.013 1.00 0.00 N ATOM 0 H ARG A 26 -3.122 -2.961 6.265 1.00 0.00 H new ATOM 0 HA ARG A 26 -3.317 -5.653 6.166 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -1.539 -3.738 7.628 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -1.456 -5.416 8.127 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -0.609 -6.140 6.077 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -1.425 -4.884 5.168 1.00 0.00 H new ATOM 0 HD2 ARG A 26 0.764 -4.086 5.062 1.00 0.00 H new ATOM 0 HD3 ARG A 26 0.221 -3.260 6.509 1.00 0.00 H new ATOM 0 HE ARG A 26 1.337 -5.919 7.084 1.00 0.00 H new ATOM 0 HH11 ARG A 26 2.140 -2.483 6.533 1.00 0.00 H new ATOM 0 HH12 ARG A 26 3.669 -2.578 7.412 1.00 0.00 H new ATOM 0 HH21 ARG A 26 3.284 -6.027 8.200 1.00 0.00 H new ATOM 0 HH22 ARG A 26 4.316 -4.602 8.361 1.00 0.00 H new ATOM 428 N THR A 27 -3.717 -4.751 9.326 1.00 0.00 N ATOM 429 CA THR A 27 -4.345 -5.123 10.583 1.00 0.00 C ATOM 430 C THR A 27 -5.861 -5.229 10.411 1.00 0.00 C ATOM 431 O THR A 27 -6.467 -6.223 10.809 1.00 0.00 O ATOM 432 CB THR A 27 -3.923 -4.103 11.642 1.00 0.00 C ATOM 433 OG1 THR A 27 -3.919 -2.860 10.945 1.00 0.00 O ATOM 434 CG2 THR A 27 -2.470 -4.286 12.086 1.00 0.00 C ATOM 0 H THR A 27 -3.106 -3.936 9.379 1.00 0.00 H new ATOM 0 HA THR A 27 -4.018 -6.109 10.912 1.00 0.00 H new ATOM 0 HB THR A 27 -4.580 -4.186 12.508 1.00 0.00 H new ATOM 0 HG1 THR A 27 -2.999 -2.624 10.702 1.00 0.00 H new ATOM 0 HG21 THR A 27 -2.222 -3.537 12.838 1.00 0.00 H new ATOM 0 HG22 THR A 27 -2.342 -5.282 12.510 1.00 0.00 H new ATOM 0 HG23 THR A 27 -1.810 -4.170 11.227 1.00 0.00 H new ATOM 442 N SER A 28 -6.431 -4.191 9.818 1.00 0.00 N ATOM 443 CA SER A 28 -7.866 -4.155 9.589 1.00 0.00 C ATOM 444 C SER A 28 -8.324 -5.459 8.934 1.00 0.00 C ATOM 445 O SER A 28 -9.326 -6.045 9.343 1.00 0.00 O ATOM 446 CB SER A 28 -8.254 -2.959 8.717 1.00 0.00 C ATOM 447 OG SER A 28 -9.640 -2.967 8.386 1.00 0.00 O ATOM 0 H SER A 28 -5.926 -3.368 9.489 1.00 0.00 H new ATOM 0 HA SER A 28 -8.364 -4.045 10.553 1.00 0.00 H new ATOM 0 HB2 SER A 28 -8.012 -2.034 9.241 1.00 0.00 H new ATOM 0 HB3 SER A 28 -7.663 -2.971 7.801 1.00 0.00 H new ATOM 0 HG SER A 28 -9.755 -2.686 7.454 1.00 0.00 H new ATOM 453 N THR A 29 -7.569 -5.878 7.929 1.00 0.00 N ATOM 454 CA THR A 29 -7.885 -7.103 7.215 1.00 0.00 C ATOM 455 C THR A 29 -7.764 -8.310 8.147 1.00 0.00 C ATOM 456 O THR A 29 -8.741 -9.023 8.374 1.00 0.00 O ATOM 457 CB THR A 29 -6.970 -7.186 5.991 1.00 0.00 C ATOM 458 OG1 THR A 29 -7.118 -5.917 5.360 1.00 0.00 O ATOM 459 CG2 THR A 29 -7.476 -8.183 4.948 1.00 0.00 C ATOM 0 H THR A 29 -6.739 -5.390 7.592 1.00 0.00 H new ATOM 0 HA THR A 29 -8.918 -7.103 6.867 1.00 0.00 H new ATOM 0 HB THR A 29 -5.966 -7.471 6.307 1.00 0.00 H new ATOM 0 HG1 THR A 29 -6.404 -5.317 5.661 1.00 0.00 H new ATOM 0 HG21 THR A 29 -6.790 -8.203 4.101 1.00 0.00 H new ATOM 0 HG22 THR A 29 -7.533 -9.177 5.392 1.00 0.00 H new ATOM 0 HG23 THR A 29 -8.466 -7.881 4.606 1.00 0.00 H new ATOM 467 N ALA A 30 -6.559 -8.502 8.661 1.00 0.00 N ATOM 468 CA ALA A 30 -6.298 -9.611 9.563 1.00 0.00 C ATOM 469 C ALA A 30 -7.328 -9.595 10.694 1.00 0.00 C ATOM 470 O ALA A 30 -7.754 -10.649 11.166 1.00 0.00 O ATOM 471 CB ALA A 30 -4.862 -9.521 10.082 1.00 0.00 C ATOM 0 H ALA A 30 -5.752 -7.908 8.470 1.00 0.00 H new ATOM 0 HA ALA A 30 -6.396 -10.562 9.040 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -4.667 -10.353 10.759 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -4.168 -9.565 9.242 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -4.726 -8.580 10.615 1.00 0.00 H new ATOM 477 N THR A 31 -7.700 -8.389 11.097 1.00 0.00 N ATOM 478 CA THR A 31 -8.672 -8.222 12.164 1.00 0.00 C ATOM 479 C THR A 31 -9.991 -8.903 11.794 1.00 0.00 C ATOM 480 O THR A 31 -10.687 -9.428 12.662 1.00 0.00 O ATOM 481 CB THR A 31 -8.818 -6.725 12.441 1.00 0.00 C ATOM 482 OG1 THR A 31 -7.646 -6.393 13.182 1.00 0.00 O ATOM 483 CG2 THR A 31 -9.967 -6.416 13.403 1.00 0.00 C ATOM 0 H THR A 31 -7.345 -7.517 10.703 1.00 0.00 H new ATOM 0 HA THR A 31 -8.339 -8.706 13.082 1.00 0.00 H new ATOM 0 HB THR A 31 -8.980 -6.197 11.501 1.00 0.00 H new ATOM 0 HG1 THR A 31 -6.905 -6.225 12.564 1.00 0.00 H new ATOM 0 HG21 THR A 31 -10.026 -5.340 13.565 1.00 0.00 H new ATOM 0 HG22 THR A 31 -10.905 -6.771 12.976 1.00 0.00 H new ATOM 0 HG23 THR A 31 -9.790 -6.917 14.355 1.00 0.00 H new ATOM 491 N VAL A 32 -10.295 -8.872 10.505 1.00 0.00 N ATOM 492 CA VAL A 32 -11.519 -9.480 10.010 1.00 0.00 C ATOM 493 C VAL A 32 -11.485 -10.984 10.289 1.00 0.00 C ATOM 494 O VAL A 32 -12.521 -11.593 10.554 1.00 0.00 O ATOM 495 CB VAL A 32 -11.703 -9.151 8.527 1.00 0.00 C ATOM 496 CG1 VAL A 32 -13.032 -9.702 8.005 1.00 0.00 C ATOM 497 CG2 VAL A 32 -11.601 -7.644 8.283 1.00 0.00 C ATOM 0 H VAL A 32 -9.715 -8.436 9.788 1.00 0.00 H new ATOM 0 HA VAL A 32 -12.386 -9.073 10.530 1.00 0.00 H new ATOM 0 HB VAL A 32 -10.898 -9.635 7.974 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -13.139 -9.455 6.949 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -13.050 -10.785 8.128 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -13.855 -9.259 8.566 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -11.735 -7.437 7.221 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -12.375 -7.130 8.853 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -10.620 -7.290 8.600 1.00 0.00 H new ATOM 507 N LEU A 33 -10.285 -11.539 10.221 1.00 0.00 N ATOM 508 CA LEU A 33 -10.103 -12.961 10.463 1.00 0.00 C ATOM 509 C LEU A 33 -10.206 -13.235 11.965 1.00 0.00 C ATOM 510 O LEU A 33 -10.326 -14.386 12.383 1.00 0.00 O ATOM 511 CB LEU A 33 -8.794 -13.448 9.838 1.00 0.00 C ATOM 512 CG LEU A 33 -8.806 -13.637 8.319 1.00 0.00 C ATOM 513 CD1 LEU A 33 -10.098 -14.317 7.862 1.00 0.00 C ATOM 514 CD2 LEU A 33 -8.573 -12.307 7.600 1.00 0.00 C ATOM 0 H LEU A 33 -9.428 -11.031 10.002 1.00 0.00 H new ATOM 0 HA LEU A 33 -10.893 -13.534 9.978 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.007 -12.737 10.090 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -8.525 -14.398 10.300 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.982 -14.297 8.050 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -10.081 -14.440 6.779 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -10.182 -15.295 8.337 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -10.952 -13.702 8.144 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -8.586 -12.469 6.522 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -9.361 -11.604 7.871 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -7.606 -11.899 7.894 1.00 0.00 H new ATOM 526 N GLY A 34 -10.155 -12.158 12.736 1.00 0.00 N ATOM 527 CA GLY A 34 -10.242 -12.268 14.182 1.00 0.00 C ATOM 528 C GLY A 34 -8.874 -12.587 14.790 1.00 0.00 C ATOM 529 O GLY A 34 -8.748 -13.509 15.594 1.00 0.00 O ATOM 0 H GLY A 34 -10.055 -11.205 12.386 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -10.621 -11.335 14.599 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -10.954 -13.049 14.449 1.00 0.00 H new ATOM 533 N HIS A 35 -7.884 -11.806 14.383 1.00 0.00 N ATOM 534 CA HIS A 35 -6.531 -11.993 14.877 1.00 0.00 C ATOM 535 C HIS A 35 -5.798 -10.650 14.889 1.00 0.00 C ATOM 536 O HIS A 35 -6.293 -9.665 14.344 1.00 0.00 O ATOM 537 CB HIS A 35 -5.798 -13.062 14.063 1.00 0.00 C ATOM 538 CG HIS A 35 -5.381 -14.269 14.869 1.00 0.00 C ATOM 539 ND1 HIS A 35 -5.427 -15.558 14.366 1.00 0.00 N ATOM 540 CD2 HIS A 35 -4.910 -14.370 16.145 1.00 0.00 C ATOM 541 CE1 HIS A 35 -5.001 -16.388 15.306 1.00 0.00 C ATOM 542 NE2 HIS A 35 -4.681 -15.650 16.408 1.00 0.00 N ATOM 0 H HIS A 35 -7.992 -11.042 13.716 1.00 0.00 H new ATOM 0 HA HIS A 35 -6.562 -12.359 15.903 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -6.443 -13.388 13.247 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -4.912 -12.616 13.611 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -4.750 -13.547 16.826 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -4.921 -17.461 15.216 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -4.325 -16.021 17.289 1.00 0.00 H new ATOM 550 N ASP A 36 -4.632 -10.655 15.517 1.00 0.00 N ATOM 551 CA ASP A 36 -3.826 -9.449 15.607 1.00 0.00 C ATOM 552 C ASP A 36 -2.353 -9.808 15.398 1.00 0.00 C ATOM 553 O ASP A 36 -1.519 -9.551 16.265 1.00 0.00 O ATOM 554 CB ASP A 36 -3.963 -8.796 16.984 1.00 0.00 C ATOM 555 CG ASP A 36 -5.250 -7.996 17.195 1.00 0.00 C ATOM 556 OD1 ASP A 36 -5.229 -6.758 17.258 1.00 0.00 O ATOM 557 OD2 ASP A 36 -6.322 -8.706 17.299 1.00 0.00 O ATOM 0 H ASP A 36 -4.226 -11.475 15.968 1.00 0.00 H new ATOM 0 HA ASP A 36 -4.173 -8.754 14.842 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -3.908 -9.574 17.746 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -3.112 -8.134 17.142 1.00 0.00 H new ATOM 563 N ASP A 37 -2.078 -10.396 14.243 1.00 0.00 N ATOM 564 CA ASP A 37 -0.721 -10.793 13.910 1.00 0.00 C ATOM 565 C ASP A 37 -0.390 -10.320 12.493 1.00 0.00 C ATOM 566 O ASP A 37 -0.431 -11.105 11.547 1.00 0.00 O ATOM 567 CB ASP A 37 -0.567 -12.315 13.949 1.00 0.00 C ATOM 568 CG ASP A 37 -1.403 -13.022 15.016 1.00 0.00 C ATOM 569 OD1 ASP A 37 -1.385 -12.643 16.197 1.00 0.00 O ATOM 570 OD2 ASP A 37 -2.106 -14.016 14.588 1.00 0.00 O ATOM 0 H ASP A 37 -2.772 -10.607 13.526 1.00 0.00 H new ATOM 0 HA ASP A 37 -0.049 -10.344 14.641 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -0.836 -12.717 12.972 1.00 0.00 H new ATOM 0 HB3 ASP A 37 0.483 -12.555 14.114 1.00 0.00 H new ATOM 576 N PRO A 38 -0.059 -9.005 12.388 1.00 0.00 N ATOM 577 CA PRO A 38 0.279 -8.418 11.103 1.00 0.00 C ATOM 578 C PRO A 38 1.681 -8.841 10.659 1.00 0.00 C ATOM 579 O PRO A 38 2.021 -8.739 9.481 1.00 0.00 O ATOM 580 CB PRO A 38 0.149 -6.918 11.309 1.00 0.00 C ATOM 581 CG PRO A 38 0.197 -6.698 12.812 1.00 0.00 C ATOM 582 CD PRO A 38 0.001 -8.045 13.487 1.00 0.00 C ATOM 0 HA PRO A 38 -0.378 -8.755 10.301 1.00 0.00 H new ATOM 0 HB2 PRO A 38 0.958 -6.384 10.810 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -0.786 -6.546 10.889 1.00 0.00 H new ATOM 0 HG2 PRO A 38 1.152 -6.260 13.103 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -0.581 -6.000 13.121 1.00 0.00 H new ATOM 0 HD2 PRO A 38 0.823 -8.271 14.166 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -0.915 -8.062 14.078 1.00 0.00 H new ATOM 590 N LYS A 39 2.458 -9.308 11.626 1.00 0.00 N ATOM 591 CA LYS A 39 3.815 -9.747 11.350 1.00 0.00 C ATOM 592 C LYS A 39 3.774 -10.973 10.436 1.00 0.00 C ATOM 593 O LYS A 39 4.797 -11.377 9.886 1.00 0.00 O ATOM 594 CB LYS A 39 4.579 -9.978 12.655 1.00 0.00 C ATOM 595 CG LYS A 39 5.765 -9.017 12.773 1.00 0.00 C ATOM 596 CD LYS A 39 6.226 -8.892 14.227 1.00 0.00 C ATOM 597 CE LYS A 39 6.956 -7.568 14.458 1.00 0.00 C ATOM 598 NZ LYS A 39 8.422 -7.778 14.461 1.00 0.00 N ATOM 0 H LYS A 39 2.173 -9.392 12.602 1.00 0.00 H new ATOM 0 HA LYS A 39 4.366 -8.971 10.818 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.908 -9.839 13.503 1.00 0.00 H new ATOM 0 HB3 LYS A 39 4.935 -11.007 12.695 1.00 0.00 H new ATOM 0 HG2 LYS A 39 6.589 -9.373 12.156 1.00 0.00 H new ATOM 0 HG3 LYS A 39 5.482 -8.036 12.392 1.00 0.00 H new ATOM 0 HD2 LYS A 39 5.365 -8.958 14.892 1.00 0.00 H new ATOM 0 HD3 LYS A 39 6.885 -9.723 14.476 1.00 0.00 H new ATOM 0 HE2 LYS A 39 6.686 -6.856 13.678 1.00 0.00 H new ATOM 0 HE3 LYS A 39 6.643 -7.134 15.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 8.903 -6.869 14.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 8.676 -8.441 15.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 8.718 -8.172 13.545 1.00 0.00 H new ATOM 611 N ALA A 40 2.580 -11.532 10.302 1.00 0.00 N ATOM 612 CA ALA A 40 2.392 -12.704 9.465 1.00 0.00 C ATOM 613 C ALA A 40 1.658 -12.298 8.185 1.00 0.00 C ATOM 614 O ALA A 40 1.492 -13.111 7.276 1.00 0.00 O ATOM 615 CB ALA A 40 1.640 -13.779 10.252 1.00 0.00 C ATOM 0 H ALA A 40 1.733 -11.194 10.759 1.00 0.00 H new ATOM 0 HA ALA A 40 3.354 -13.126 9.174 1.00 0.00 H new ATOM 0 HB1 ALA A 40 1.499 -14.658 9.624 1.00 0.00 H new ATOM 0 HB2 ALA A 40 2.216 -14.053 11.136 1.00 0.00 H new ATOM 0 HB3 ALA A 40 0.668 -13.393 10.558 1.00 0.00 H new ATOM 621 N VAL A 41 1.238 -11.042 8.154 1.00 0.00 N ATOM 622 CA VAL A 41 0.526 -10.519 7.001 1.00 0.00 C ATOM 623 C VAL A 41 1.419 -9.518 6.266 1.00 0.00 C ATOM 624 O VAL A 41 2.105 -8.713 6.895 1.00 0.00 O ATOM 625 CB VAL A 41 -0.811 -9.917 7.440 1.00 0.00 C ATOM 626 CG1 VAL A 41 -1.458 -9.128 6.300 1.00 0.00 C ATOM 627 CG2 VAL A 41 -1.756 -11.002 7.961 1.00 0.00 C ATOM 0 H VAL A 41 1.377 -10.371 8.909 1.00 0.00 H new ATOM 0 HA VAL A 41 0.292 -11.321 6.301 1.00 0.00 H new ATOM 0 HB VAL A 41 -0.614 -9.223 8.257 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -2.406 -8.711 6.639 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.794 -8.319 5.995 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -1.635 -9.791 5.453 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.699 -10.548 8.266 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.943 -11.731 7.172 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.300 -11.502 8.816 1.00 0.00 H new ATOM 637 N ARG A 42 1.383 -9.601 4.944 1.00 0.00 N ATOM 638 CA ARG A 42 2.182 -8.712 4.117 1.00 0.00 C ATOM 639 C ARG A 42 1.276 -7.761 3.331 1.00 0.00 C ATOM 640 O ARG A 42 0.053 -7.896 3.362 1.00 0.00 O ATOM 641 CB ARG A 42 3.050 -9.503 3.137 1.00 0.00 C ATOM 642 CG ARG A 42 4.518 -9.489 3.570 1.00 0.00 C ATOM 643 CD ARG A 42 5.133 -10.886 3.467 1.00 0.00 C ATOM 644 NE ARG A 42 6.333 -10.975 4.329 1.00 0.00 N ATOM 645 CZ ARG A 42 7.489 -10.321 4.088 1.00 0.00 C ATOM 646 NH1 ARG A 42 7.611 -9.522 3.006 1.00 0.00 N ATOM 647 NH2 ARG A 42 8.498 -10.473 4.925 1.00 0.00 N ATOM 0 H ARG A 42 0.814 -10.270 4.425 1.00 0.00 H new ATOM 0 HA ARG A 42 2.831 -8.138 4.779 1.00 0.00 H new ATOM 0 HB2 ARG A 42 2.694 -10.532 3.079 1.00 0.00 H new ATOM 0 HB3 ARG A 42 2.958 -9.077 2.138 1.00 0.00 H new ATOM 0 HG2 ARG A 42 5.079 -8.794 2.945 1.00 0.00 H new ATOM 0 HG3 ARG A 42 4.595 -9.129 4.596 1.00 0.00 H new ATOM 0 HD2 ARG A 42 4.403 -11.637 3.768 1.00 0.00 H new ATOM 0 HD3 ARG A 42 5.402 -11.099 2.432 1.00 0.00 H new ATOM 0 HE ARG A 42 6.283 -11.568 5.157 1.00 0.00 H new ATOM 0 HH11 ARG A 42 6.826 -9.409 2.364 1.00 0.00 H new ATOM 0 HH12 ARG A 42 8.488 -9.031 2.831 1.00 0.00 H new ATOM 0 HH21 ARG A 42 8.398 -11.078 5.740 1.00 0.00 H new ATOM 0 HH22 ARG A 42 9.378 -9.986 4.757 1.00 0.00 H new ATOM 660 N ALA A 43 1.910 -6.822 2.646 1.00 0.00 N ATOM 661 CA ALA A 43 1.177 -5.849 1.854 1.00 0.00 C ATOM 662 C ALA A 43 0.982 -6.394 0.437 1.00 0.00 C ATOM 663 O ALA A 43 0.095 -5.946 -0.288 1.00 0.00 O ATOM 664 CB ALA A 43 1.922 -4.513 1.867 1.00 0.00 C ATOM 0 H ALA A 43 2.924 -6.714 2.623 1.00 0.00 H new ATOM 0 HA ALA A 43 0.189 -5.675 2.280 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.372 -3.784 1.273 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.008 -4.154 2.893 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.918 -4.648 1.445 1.00 0.00 H new ATOM 670 N THR A 44 1.826 -7.353 0.085 1.00 0.00 N ATOM 671 CA THR A 44 1.758 -7.964 -1.231 1.00 0.00 C ATOM 672 C THR A 44 1.294 -9.417 -1.122 1.00 0.00 C ATOM 673 O THR A 44 1.743 -10.275 -1.881 1.00 0.00 O ATOM 674 CB THR A 44 3.129 -7.812 -1.894 1.00 0.00 C ATOM 675 OG1 THR A 44 4.053 -7.983 -0.823 1.00 0.00 O ATOM 676 CG2 THR A 44 3.387 -6.386 -2.385 1.00 0.00 C ATOM 0 H THR A 44 2.561 -7.722 0.689 1.00 0.00 H new ATOM 0 HA THR A 44 1.019 -7.467 -1.860 1.00 0.00 H new ATOM 0 HB THR A 44 3.205 -8.504 -2.733 1.00 0.00 H new ATOM 0 HG1 THR A 44 4.968 -7.902 -1.164 1.00 0.00 H new ATOM 0 HG21 THR A 44 4.373 -6.333 -2.847 1.00 0.00 H new ATOM 0 HG22 THR A 44 2.628 -6.110 -3.117 1.00 0.00 H new ATOM 0 HG23 THR A 44 3.344 -5.697 -1.541 1.00 0.00 H new ATOM 684 N THR A 45 0.401 -9.650 -0.171 1.00 0.00 N ATOM 685 CA THR A 45 -0.129 -10.985 0.048 1.00 0.00 C ATOM 686 C THR A 45 -1.516 -11.118 -0.584 1.00 0.00 C ATOM 687 O THR A 45 -2.271 -10.149 -0.642 1.00 0.00 O ATOM 688 CB THR A 45 -0.118 -11.257 1.554 1.00 0.00 C ATOM 689 OG1 THR A 45 0.843 -12.296 1.712 1.00 0.00 O ATOM 690 CG2 THR A 45 -1.426 -11.881 2.045 1.00 0.00 C ATOM 0 H THR A 45 0.031 -8.936 0.457 1.00 0.00 H new ATOM 0 HA THR A 45 0.489 -11.741 -0.437 1.00 0.00 H new ATOM 0 HB THR A 45 0.064 -10.325 2.090 1.00 0.00 H new ATOM 0 HG1 THR A 45 0.915 -12.533 2.660 1.00 0.00 H new ATOM 0 HG21 THR A 45 -1.366 -12.054 3.120 1.00 0.00 H new ATOM 0 HG22 THR A 45 -2.254 -11.205 1.832 1.00 0.00 H new ATOM 0 HG23 THR A 45 -1.591 -12.829 1.534 1.00 0.00 H new ATOM 698 N PRO A 46 -1.816 -12.359 -1.053 1.00 0.00 N ATOM 699 CA PRO A 46 -3.099 -12.632 -1.679 1.00 0.00 C ATOM 700 C PRO A 46 -4.212 -12.720 -0.632 1.00 0.00 C ATOM 701 O PRO A 46 -4.298 -13.700 0.107 1.00 0.00 O ATOM 702 CB PRO A 46 -2.897 -13.931 -2.441 1.00 0.00 C ATOM 703 CG PRO A 46 -1.658 -14.577 -1.842 1.00 0.00 C ATOM 704 CD PRO A 46 -0.947 -13.530 -1.001 1.00 0.00 C ATOM 0 HA PRO A 46 -3.416 -11.836 -2.353 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -3.765 -14.582 -2.339 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -2.763 -13.742 -3.506 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -1.933 -15.436 -1.230 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -1.001 -14.945 -2.630 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -0.807 -13.874 0.024 1.00 0.00 H new ATOM 0 HD3 PRO A 46 0.042 -13.307 -1.400 1.00 0.00 H new ATOM 712 N PHE A 47 -5.036 -11.683 -0.602 1.00 0.00 N ATOM 713 CA PHE A 47 -6.139 -11.631 0.342 1.00 0.00 C ATOM 714 C PHE A 47 -6.938 -12.936 0.324 1.00 0.00 C ATOM 715 O PHE A 47 -7.582 -13.288 1.311 1.00 0.00 O ATOM 716 CB PHE A 47 -7.050 -10.483 -0.097 1.00 0.00 C ATOM 717 CG PHE A 47 -7.958 -10.827 -1.280 1.00 0.00 C ATOM 718 CD1 PHE A 47 -7.470 -10.778 -2.548 1.00 0.00 C ATOM 719 CD2 PHE A 47 -9.253 -11.181 -1.063 1.00 0.00 C ATOM 720 CE1 PHE A 47 -8.312 -11.097 -3.646 1.00 0.00 C ATOM 721 CE2 PHE A 47 -10.095 -11.500 -2.161 1.00 0.00 C ATOM 722 CZ PHE A 47 -9.607 -11.451 -3.429 1.00 0.00 C ATOM 0 H PHE A 47 -4.962 -10.872 -1.216 1.00 0.00 H new ATOM 0 HA PHE A 47 -5.757 -11.484 1.352 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -7.669 -10.181 0.748 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -6.433 -9.625 -0.363 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -6.442 -10.496 -2.720 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -9.641 -11.219 -0.056 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -7.924 -11.059 -4.653 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -11.123 -11.782 -1.989 1.00 0.00 H new ATOM 0 HZ PHE A 47 -10.248 -11.693 -4.264 1.00 0.00 H new ATOM 732 N LYS A 48 -6.870 -13.619 -0.810 1.00 0.00 N ATOM 733 CA LYS A 48 -7.579 -14.877 -0.970 1.00 0.00 C ATOM 734 C LYS A 48 -7.138 -15.849 0.126 1.00 0.00 C ATOM 735 O LYS A 48 -7.907 -16.715 0.540 1.00 0.00 O ATOM 736 CB LYS A 48 -7.391 -15.421 -2.387 1.00 0.00 C ATOM 737 CG LYS A 48 -8.684 -16.052 -2.909 1.00 0.00 C ATOM 738 CD LYS A 48 -8.527 -17.564 -3.079 1.00 0.00 C ATOM 739 CE LYS A 48 -8.971 -18.307 -1.817 1.00 0.00 C ATOM 740 NZ LYS A 48 -7.907 -19.225 -1.354 1.00 0.00 N ATOM 0 H LYS A 48 -6.335 -13.324 -1.627 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.652 -14.728 -0.851 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -7.082 -14.614 -3.052 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -6.592 -16.163 -2.393 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -9.500 -15.843 -2.217 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -8.953 -15.601 -3.864 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -9.118 -17.901 -3.931 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.486 -17.803 -3.299 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -9.209 -17.590 -1.031 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -9.882 -18.870 -2.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -8.225 -19.721 -0.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -7.700 -19.920 -2.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -7.047 -18.680 -1.140 1.00 0.00 H new ATOM 753 N GLU A 49 -5.900 -15.673 0.565 1.00 0.00 N ATOM 754 CA GLU A 49 -5.347 -16.524 1.604 1.00 0.00 C ATOM 755 C GLU A 49 -5.815 -16.052 2.982 1.00 0.00 C ATOM 756 O GLU A 49 -5.621 -16.745 3.979 1.00 0.00 O ATOM 757 CB GLU A 49 -3.819 -16.561 1.528 1.00 0.00 C ATOM 758 CG GLU A 49 -3.217 -15.211 1.924 1.00 0.00 C ATOM 759 CD GLU A 49 -2.314 -15.352 3.151 1.00 0.00 C ATOM 760 OE1 GLU A 49 -2.732 -15.018 4.270 1.00 0.00 O ATOM 761 OE2 GLU A 49 -1.140 -15.828 2.912 1.00 0.00 O ATOM 0 H GLU A 49 -5.265 -14.954 0.220 1.00 0.00 H new ATOM 0 HA GLU A 49 -5.711 -17.539 1.446 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -3.437 -17.341 2.187 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -3.508 -16.819 0.516 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -2.643 -14.806 1.090 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -4.016 -14.501 2.136 1.00 0.00 H new ATOM 769 N LEU A 50 -6.424 -14.875 2.993 1.00 0.00 N ATOM 770 CA LEU A 50 -6.922 -14.302 4.232 1.00 0.00 C ATOM 771 C LEU A 50 -8.386 -14.702 4.422 1.00 0.00 C ATOM 772 O LEU A 50 -9.154 -13.978 5.054 1.00 0.00 O ATOM 773 CB LEU A 50 -6.690 -12.789 4.254 1.00 0.00 C ATOM 774 CG LEU A 50 -5.384 -12.320 4.898 1.00 0.00 C ATOM 775 CD1 LEU A 50 -4.350 -11.950 3.833 1.00 0.00 C ATOM 776 CD2 LEU A 50 -5.636 -11.171 5.876 1.00 0.00 C ATOM 0 H LEU A 50 -6.584 -14.303 2.164 1.00 0.00 H new ATOM 0 HA LEU A 50 -6.370 -14.699 5.084 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -6.718 -12.422 3.228 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -7.521 -12.322 4.783 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.971 -13.148 5.474 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.431 -11.620 4.317 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -4.140 -12.821 3.212 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.741 -11.145 3.210 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.691 -10.857 6.320 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -6.084 -10.332 5.344 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -6.313 -11.505 6.663 1.00 0.00 H new ATOM 788 N GLY A 51 -8.729 -15.854 3.864 1.00 0.00 N ATOM 789 CA GLY A 51 -10.087 -16.359 3.963 1.00 0.00 C ATOM 790 C GLY A 51 -11.105 -15.225 3.824 1.00 0.00 C ATOM 791 O GLY A 51 -11.808 -14.897 4.779 1.00 0.00 O ATOM 0 H GLY A 51 -8.089 -16.452 3.342 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -10.259 -17.104 3.186 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -10.224 -16.860 4.921 1.00 0.00 H new ATOM 795 N PHE A 52 -11.153 -14.659 2.628 1.00 0.00 N ATOM 796 CA PHE A 52 -12.073 -13.569 2.351 1.00 0.00 C ATOM 797 C PHE A 52 -12.956 -13.890 1.143 1.00 0.00 C ATOM 798 O PHE A 52 -12.531 -14.596 0.230 1.00 0.00 O ATOM 799 CB PHE A 52 -11.224 -12.336 2.034 1.00 0.00 C ATOM 800 CG PHE A 52 -11.208 -11.289 3.149 1.00 0.00 C ATOM 801 CD1 PHE A 52 -11.175 -11.681 4.451 1.00 0.00 C ATOM 802 CD2 PHE A 52 -11.228 -9.965 2.839 1.00 0.00 C ATOM 803 CE1 PHE A 52 -11.160 -10.709 5.486 1.00 0.00 C ATOM 804 CE2 PHE A 52 -11.213 -8.992 3.874 1.00 0.00 C ATOM 805 CZ PHE A 52 -11.180 -9.385 5.176 1.00 0.00 C ATOM 0 H PHE A 52 -10.569 -14.935 1.838 1.00 0.00 H new ATOM 0 HA PHE A 52 -12.724 -13.405 3.210 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -10.201 -12.654 1.833 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -11.599 -11.874 1.121 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -11.160 -12.732 4.698 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -11.255 -9.653 1.805 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -11.133 -11.021 6.520 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -11.228 -7.941 3.627 1.00 0.00 H new ATOM 0 HZ PHE A 52 -11.170 -8.646 5.963 1.00 0.00 H new ATOM 815 N ASP A 53 -14.167 -13.356 1.178 1.00 0.00 N ATOM 816 CA ASP A 53 -15.114 -13.576 0.097 1.00 0.00 C ATOM 817 C ASP A 53 -16.156 -12.456 0.101 1.00 0.00 C ATOM 818 O ASP A 53 -16.012 -11.466 -0.614 1.00 0.00 O ATOM 819 CB ASP A 53 -15.848 -14.907 0.271 1.00 0.00 C ATOM 820 CG ASP A 53 -15.230 -16.089 -0.477 1.00 0.00 C ATOM 821 OD1 ASP A 53 -14.672 -17.012 0.136 1.00 0.00 O ATOM 822 OD2 ASP A 53 -15.338 -16.039 -1.762 1.00 0.00 O ATOM 0 H ASP A 53 -14.515 -12.771 1.938 1.00 0.00 H new ATOM 0 HA ASP A 53 -14.558 -13.591 -0.841 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -15.885 -15.148 1.333 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -16.878 -14.783 -0.064 1.00 0.00 H new ATOM 828 N SER A 54 -17.183 -12.651 0.915 1.00 0.00 N ATOM 829 CA SER A 54 -18.250 -11.670 1.022 1.00 0.00 C ATOM 830 C SER A 54 -18.312 -11.118 2.448 1.00 0.00 C ATOM 831 O SER A 54 -18.078 -9.931 2.669 1.00 0.00 O ATOM 832 CB SER A 54 -19.598 -12.277 0.629 1.00 0.00 C ATOM 833 OG SER A 54 -19.717 -12.443 -0.782 1.00 0.00 O ATOM 0 H SER A 54 -17.299 -13.474 1.507 1.00 0.00 H new ATOM 0 HA SER A 54 -18.035 -10.854 0.332 1.00 0.00 H new ATOM 0 HB2 SER A 54 -19.717 -13.243 1.119 1.00 0.00 H new ATOM 0 HB3 SER A 54 -20.403 -11.636 0.988 1.00 0.00 H new ATOM 0 HG SER A 54 -20.590 -12.835 -0.993 1.00 0.00 H new ATOM 839 N LEU A 55 -18.629 -12.007 3.379 1.00 0.00 N ATOM 840 CA LEU A 55 -18.726 -11.623 4.777 1.00 0.00 C ATOM 841 C LEU A 55 -17.450 -10.886 5.188 1.00 0.00 C ATOM 842 O LEU A 55 -17.494 -9.705 5.531 1.00 0.00 O ATOM 843 CB LEU A 55 -19.038 -12.843 5.647 1.00 0.00 C ATOM 844 CG LEU A 55 -20.378 -12.815 6.384 1.00 0.00 C ATOM 845 CD1 LEU A 55 -21.390 -13.749 5.718 1.00 0.00 C ATOM 846 CD2 LEU A 55 -20.194 -13.135 7.869 1.00 0.00 C ATOM 0 H LEU A 55 -18.822 -12.991 3.192 1.00 0.00 H new ATOM 0 HA LEU A 55 -19.556 -10.933 4.926 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -19.011 -13.731 5.016 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -18.242 -12.952 6.384 1.00 0.00 H new ATOM 0 HG LEU A 55 -20.782 -11.805 6.320 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -22.334 -13.710 6.262 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -21.552 -13.434 4.687 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -21.006 -14.769 5.730 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -21.162 -13.108 8.370 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -19.757 -14.128 7.976 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -19.531 -12.397 8.321 1.00 0.00 H new ATOM 858 N ALA A 56 -16.343 -11.612 5.140 1.00 0.00 N ATOM 859 CA ALA A 56 -15.057 -11.041 5.503 1.00 0.00 C ATOM 860 C ALA A 56 -14.812 -9.779 4.675 1.00 0.00 C ATOM 861 O ALA A 56 -14.242 -8.808 5.171 1.00 0.00 O ATOM 862 CB ALA A 56 -13.959 -12.089 5.307 1.00 0.00 C ATOM 0 H ALA A 56 -16.310 -12.591 4.855 1.00 0.00 H new ATOM 0 HA ALA A 56 -15.049 -10.752 6.554 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -12.994 -11.661 5.579 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -14.164 -12.953 5.939 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -13.936 -12.401 4.263 1.00 0.00 H new ATOM 868 N ALA A 57 -15.254 -9.833 3.428 1.00 0.00 N ATOM 869 CA ALA A 57 -15.090 -8.705 2.526 1.00 0.00 C ATOM 870 C ALA A 57 -15.974 -7.549 2.996 1.00 0.00 C ATOM 871 O ALA A 57 -15.681 -6.386 2.719 1.00 0.00 O ATOM 872 CB ALA A 57 -15.415 -9.143 1.096 1.00 0.00 C ATOM 0 H ALA A 57 -15.726 -10.640 3.020 1.00 0.00 H new ATOM 0 HA ALA A 57 -14.058 -8.355 2.533 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -15.292 -8.297 0.420 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -14.740 -9.946 0.799 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -16.444 -9.498 1.049 1.00 0.00 H new ATOM 878 N VAL A 58 -17.038 -7.907 3.700 1.00 0.00 N ATOM 879 CA VAL A 58 -17.966 -6.914 4.212 1.00 0.00 C ATOM 880 C VAL A 58 -17.412 -6.324 5.510 1.00 0.00 C ATOM 881 O VAL A 58 -17.277 -5.108 5.636 1.00 0.00 O ATOM 882 CB VAL A 58 -19.355 -7.533 4.382 1.00 0.00 C ATOM 883 CG1 VAL A 58 -20.157 -6.796 5.456 1.00 0.00 C ATOM 884 CG2 VAL A 58 -20.111 -7.557 3.052 1.00 0.00 C ATOM 0 H VAL A 58 -17.278 -8.872 3.928 1.00 0.00 H new ATOM 0 HA VAL A 58 -18.075 -6.093 3.503 1.00 0.00 H new ATOM 0 HB VAL A 58 -19.224 -8.564 4.711 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -21.140 -7.256 5.556 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -19.630 -6.855 6.408 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -20.274 -5.751 5.170 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -21.095 -8.002 3.201 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -20.225 -6.539 2.680 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -19.552 -8.148 2.326 1.00 0.00 H new ATOM 894 N ARG A 59 -17.105 -7.214 6.443 1.00 0.00 N ATOM 895 CA ARG A 59 -16.568 -6.797 7.727 1.00 0.00 C ATOM 896 C ARG A 59 -15.306 -5.955 7.527 1.00 0.00 C ATOM 897 O ARG A 59 -14.946 -5.156 8.389 1.00 0.00 O ATOM 898 CB ARG A 59 -16.232 -8.007 8.602 1.00 0.00 C ATOM 899 CG ARG A 59 -16.942 -7.919 9.954 1.00 0.00 C ATOM 900 CD ARG A 59 -16.844 -9.245 10.712 1.00 0.00 C ATOM 901 NE ARG A 59 -18.039 -9.429 11.566 1.00 0.00 N ATOM 902 CZ ARG A 59 -18.314 -10.561 12.248 1.00 0.00 C ATOM 903 NH1 ARG A 59 -17.480 -11.620 12.183 1.00 0.00 N ATOM 904 NH2 ARG A 59 -19.411 -10.616 12.981 1.00 0.00 N ATOM 0 H ARG A 59 -17.218 -8.222 6.335 1.00 0.00 H new ATOM 0 HA ARG A 59 -17.331 -6.201 8.228 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -16.527 -8.923 8.091 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -15.154 -8.061 8.756 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -16.499 -7.121 10.550 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -17.990 -7.659 9.802 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -16.760 -10.072 10.006 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -15.943 -9.257 11.325 1.00 0.00 H new ATOM 0 HE ARG A 59 -18.695 -8.652 11.644 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -16.634 -11.569 11.615 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -17.696 -12.471 12.702 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -20.036 -9.811 13.026 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -19.634 -11.464 13.503 1.00 0.00 H new ATOM 917 N LEU A 60 -14.669 -6.164 6.384 1.00 0.00 N ATOM 918 CA LEU A 60 -13.456 -5.434 6.059 1.00 0.00 C ATOM 919 C LEU A 60 -13.825 -4.033 5.566 1.00 0.00 C ATOM 920 O LEU A 60 -13.452 -3.036 6.182 1.00 0.00 O ATOM 921 CB LEU A 60 -12.601 -6.229 5.070 1.00 0.00 C ATOM 922 CG LEU A 60 -11.196 -5.682 4.807 1.00 0.00 C ATOM 923 CD1 LEU A 60 -11.105 -5.054 3.415 1.00 0.00 C ATOM 924 CD2 LEU A 60 -10.774 -4.704 5.906 1.00 0.00 C ATOM 0 H LEU A 60 -14.971 -6.829 5.672 1.00 0.00 H new ATOM 0 HA LEU A 60 -12.838 -5.307 6.948 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -12.508 -7.250 5.439 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -13.133 -6.281 4.120 1.00 0.00 H new ATOM 0 HG LEU A 60 -10.494 -6.516 4.831 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -10.097 -4.673 3.253 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -11.334 -5.807 2.661 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -11.819 -4.234 3.338 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -9.772 -4.330 5.695 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -11.474 -3.869 5.938 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -10.775 -5.216 6.868 1.00 0.00 H new ATOM 936 N ARG A 61 -14.553 -4.003 4.459 1.00 0.00 N ATOM 937 CA ARG A 61 -14.976 -2.741 3.876 1.00 0.00 C ATOM 938 C ARG A 61 -15.475 -1.793 4.968 1.00 0.00 C ATOM 939 O ARG A 61 -15.230 -0.589 4.909 1.00 0.00 O ATOM 940 CB ARG A 61 -16.089 -2.956 2.849 1.00 0.00 C ATOM 941 CG ARG A 61 -16.538 -1.625 2.241 1.00 0.00 C ATOM 942 CD ARG A 61 -17.616 -0.964 3.103 1.00 0.00 C ATOM 943 NE ARG A 61 -18.600 -0.272 2.241 1.00 0.00 N ATOM 944 CZ ARG A 61 -19.832 0.100 2.648 1.00 0.00 C ATOM 945 NH1 ARG A 61 -20.242 -0.150 3.909 1.00 0.00 N ATOM 946 NH2 ARG A 61 -20.630 0.713 1.793 1.00 0.00 N ATOM 0 H ARG A 61 -14.860 -4.832 3.951 1.00 0.00 H new ATOM 0 HA ARG A 61 -14.114 -2.301 3.375 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -15.737 -3.620 2.060 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -16.938 -3.448 3.325 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -15.682 -0.957 2.147 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -16.923 -1.792 1.235 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -18.119 -1.716 3.711 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -17.158 -0.252 3.790 1.00 0.00 H new ATOM 0 HE ARG A 61 -18.330 -0.063 1.280 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -19.619 -0.624 4.563 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -21.175 0.135 4.208 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -20.312 0.898 0.842 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -21.564 1.001 2.084 1.00 0.00 H new ATOM 959 N ASN A 62 -16.165 -2.371 5.940 1.00 0.00 N ATOM 960 CA ASN A 62 -16.701 -1.593 7.043 1.00 0.00 C ATOM 961 C ASN A 62 -15.575 -0.771 7.675 1.00 0.00 C ATOM 962 O ASN A 62 -15.695 0.445 7.820 1.00 0.00 O ATOM 963 CB ASN A 62 -17.287 -2.501 8.125 1.00 0.00 C ATOM 964 CG ASN A 62 -18.813 -2.557 8.027 1.00 0.00 C ATOM 965 OD1 ASN A 62 -19.527 -1.751 8.600 1.00 0.00 O ATOM 966 ND2 ASN A 62 -19.271 -3.550 7.271 1.00 0.00 N ATOM 0 H ASN A 62 -16.365 -3.370 5.986 1.00 0.00 H new ATOM 0 HA ASN A 62 -17.487 -0.948 6.650 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -16.876 -3.505 8.024 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -16.995 -2.135 9.109 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -20.276 -3.672 7.143 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -18.618 -4.190 6.819 1.00 0.00 H new ATOM 973 N LEU A 63 -14.507 -1.468 8.035 1.00 0.00 N ATOM 974 CA LEU A 63 -13.361 -0.818 8.648 1.00 0.00 C ATOM 975 C LEU A 63 -12.689 0.095 7.621 1.00 0.00 C ATOM 976 O LEU A 63 -12.204 1.172 7.966 1.00 0.00 O ATOM 977 CB LEU A 63 -12.418 -1.857 9.258 1.00 0.00 C ATOM 978 CG LEU A 63 -11.669 -1.424 10.519 1.00 0.00 C ATOM 979 CD1 LEU A 63 -11.066 -2.632 11.240 1.00 0.00 C ATOM 980 CD2 LEU A 63 -10.614 -0.365 10.194 1.00 0.00 C ATOM 0 H LEU A 63 -14.411 -2.476 7.914 1.00 0.00 H new ATOM 0 HA LEU A 63 -13.680 -0.186 9.477 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -12.997 -2.751 9.492 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -11.685 -2.141 8.503 1.00 0.00 H new ATOM 0 HG LEU A 63 -12.385 -0.966 11.201 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -10.539 -2.297 12.133 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -11.862 -3.320 11.525 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -10.367 -3.141 10.576 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -10.096 -0.075 11.108 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -9.895 -0.774 9.484 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -11.098 0.509 9.758 1.00 0.00 H new ATOM 992 N LEU A 64 -12.681 -0.368 6.380 1.00 0.00 N ATOM 993 CA LEU A 64 -12.075 0.393 5.301 1.00 0.00 C ATOM 994 C LEU A 64 -12.635 1.817 5.310 1.00 0.00 C ATOM 995 O LEU A 64 -11.885 2.784 5.188 1.00 0.00 O ATOM 996 CB LEU A 64 -12.260 -0.330 3.965 1.00 0.00 C ATOM 997 CG LEU A 64 -11.525 -1.665 3.819 1.00 0.00 C ATOM 998 CD1 LEU A 64 -11.118 -1.909 2.364 1.00 0.00 C ATOM 999 CD2 LEU A 64 -10.329 -1.739 4.769 1.00 0.00 C ATOM 0 H LEU A 64 -13.085 -1.261 6.097 1.00 0.00 H new ATOM 0 HA LEU A 64 -10.998 0.471 5.449 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -13.325 -0.505 3.814 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -11.929 0.334 3.166 1.00 0.00 H new ATOM 0 HG LEU A 64 -12.209 -2.465 4.101 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -10.598 -2.864 2.287 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -12.008 -1.929 1.736 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -10.458 -1.108 2.032 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -9.825 -2.697 4.645 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -9.634 -0.931 4.542 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -10.675 -1.642 5.798 1.00 0.00 H new ATOM 1011 N ASN A 65 -13.949 1.901 5.458 1.00 0.00 N ATOM 1012 CA ASN A 65 -14.618 3.191 5.485 1.00 0.00 C ATOM 1013 C ASN A 65 -14.064 4.023 6.643 1.00 0.00 C ATOM 1014 O ASN A 65 -14.151 5.250 6.628 1.00 0.00 O ATOM 1015 CB ASN A 65 -16.124 3.026 5.700 1.00 0.00 C ATOM 1016 CG ASN A 65 -16.830 2.679 4.388 1.00 0.00 C ATOM 1017 OD1 ASN A 65 -16.215 2.313 3.400 1.00 0.00 O ATOM 1018 ND2 ASN A 65 -18.152 2.814 4.433 1.00 0.00 N ATOM 0 H ASN A 65 -14.568 1.097 5.560 1.00 0.00 H new ATOM 0 HA ASN A 65 -14.442 3.683 4.528 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -16.306 2.241 6.434 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -16.540 3.947 6.108 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -18.714 2.607 3.608 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -18.604 3.125 5.293 1.00 0.00 H new ATOM 1025 N ALA A 66 -13.506 3.323 7.620 1.00 0.00 N ATOM 1026 CA ALA A 66 -12.938 3.982 8.784 1.00 0.00 C ATOM 1027 C ALA A 66 -11.493 4.382 8.483 1.00 0.00 C ATOM 1028 O ALA A 66 -10.939 5.264 9.138 1.00 0.00 O ATOM 1029 CB ALA A 66 -13.047 3.057 9.998 1.00 0.00 C ATOM 0 H ALA A 66 -13.435 2.306 7.629 1.00 0.00 H new ATOM 0 HA ALA A 66 -13.490 4.892 9.018 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -12.621 3.551 10.871 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -14.095 2.827 10.187 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -12.502 2.134 9.802 1.00 0.00 H new ATOM 1035 N ALA A 67 -10.922 3.715 7.491 1.00 0.00 N ATOM 1036 CA ALA A 67 -9.551 3.990 7.095 1.00 0.00 C ATOM 1037 C ALA A 67 -9.464 5.406 6.523 1.00 0.00 C ATOM 1038 O ALA A 67 -8.494 6.121 6.769 1.00 0.00 O ATOM 1039 CB ALA A 67 -9.085 2.928 6.096 1.00 0.00 C ATOM 0 H ALA A 67 -11.384 2.984 6.949 1.00 0.00 H new ATOM 0 HA ALA A 67 -8.886 3.941 7.957 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -8.057 3.134 5.799 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -9.138 1.943 6.561 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -9.728 2.949 5.216 1.00 0.00 H new ATOM 1045 N THR A 68 -10.492 5.770 5.770 1.00 0.00 N ATOM 1046 CA THR A 68 -10.544 7.088 5.161 1.00 0.00 C ATOM 1047 C THR A 68 -11.589 7.958 5.862 1.00 0.00 C ATOM 1048 O THR A 68 -11.357 9.142 6.102 1.00 0.00 O ATOM 1049 CB THR A 68 -10.808 6.908 3.665 1.00 0.00 C ATOM 1050 OG1 THR A 68 -12.180 6.528 3.598 1.00 0.00 O ATOM 1051 CG2 THR A 68 -10.060 5.709 3.079 1.00 0.00 C ATOM 0 H THR A 68 -11.295 5.175 5.568 1.00 0.00 H new ATOM 0 HA THR A 68 -9.597 7.615 5.277 1.00 0.00 H new ATOM 0 HB THR A 68 -10.516 7.813 3.133 1.00 0.00 H new ATOM 0 HG1 THR A 68 -12.266 5.574 3.804 1.00 0.00 H new ATOM 0 HG21 THR A 68 -10.282 5.626 2.015 1.00 0.00 H new ATOM 0 HG22 THR A 68 -8.987 5.847 3.216 1.00 0.00 H new ATOM 0 HG23 THR A 68 -10.377 4.798 3.588 1.00 0.00 H new ATOM 1059 N GLY A 69 -12.719 7.338 6.171 1.00 0.00 N ATOM 1060 CA GLY A 69 -13.800 8.041 6.839 1.00 0.00 C ATOM 1061 C GLY A 69 -14.947 8.332 5.869 1.00 0.00 C ATOM 1062 O GLY A 69 -15.938 8.959 6.243 1.00 0.00 O ATOM 0 H GLY A 69 -12.909 6.356 5.971 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -14.167 7.443 7.673 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -13.427 8.976 7.257 1.00 0.00 H new ATOM 1066 N LEU A 70 -14.775 7.863 4.642 1.00 0.00 N ATOM 1067 CA LEU A 70 -15.783 8.065 3.615 1.00 0.00 C ATOM 1068 C LEU A 70 -16.431 6.723 3.271 1.00 0.00 C ATOM 1069 O LEU A 70 -16.238 5.736 3.980 1.00 0.00 O ATOM 1070 CB LEU A 70 -15.181 8.785 2.407 1.00 0.00 C ATOM 1071 CG LEU A 70 -14.132 8.003 1.614 1.00 0.00 C ATOM 1072 CD1 LEU A 70 -14.568 7.820 0.159 1.00 0.00 C ATOM 1073 CD2 LEU A 70 -12.757 8.665 1.722 1.00 0.00 C ATOM 0 H LEU A 70 -13.952 7.344 4.336 1.00 0.00 H new ATOM 0 HA LEU A 70 -16.575 8.717 3.983 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -15.991 9.057 1.730 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -14.728 9.715 2.752 1.00 0.00 H new ATOM 0 HG LEU A 70 -14.045 7.008 2.051 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -13.804 7.261 -0.382 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -15.510 7.272 0.128 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -14.701 8.797 -0.307 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -12.030 8.089 1.149 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -12.809 9.679 1.326 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -12.451 8.699 2.768 1.00 0.00 H new ATOM 1085 N ARG A 71 -17.186 6.728 2.183 1.00 0.00 N ATOM 1086 CA ARG A 71 -17.864 5.523 1.736 1.00 0.00 C ATOM 1087 C ARG A 71 -17.100 4.884 0.574 1.00 0.00 C ATOM 1088 O ARG A 71 -17.110 5.404 -0.541 1.00 0.00 O ATOM 1089 CB ARG A 71 -19.295 5.828 1.289 1.00 0.00 C ATOM 1090 CG ARG A 71 -20.272 5.707 2.460 1.00 0.00 C ATOM 1091 CD ARG A 71 -21.602 6.392 2.137 1.00 0.00 C ATOM 1092 NE ARG A 71 -22.139 7.050 3.349 1.00 0.00 N ATOM 1093 CZ ARG A 71 -23.414 7.477 3.476 1.00 0.00 C ATOM 1094 NH1 ARG A 71 -24.294 7.318 2.465 1.00 0.00 N ATOM 1095 NH2 ARG A 71 -23.786 8.053 4.604 1.00 0.00 N ATOM 0 H ARG A 71 -17.344 7.548 1.597 1.00 0.00 H new ATOM 0 HA ARG A 71 -17.898 4.831 2.578 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -19.343 6.834 0.873 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -19.586 5.140 0.495 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -20.446 4.655 2.686 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -19.834 6.156 3.351 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -21.459 7.129 1.346 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -22.317 5.659 1.764 1.00 0.00 H new ATOM 0 HE ARG A 71 -21.507 7.190 4.137 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -23.998 6.872 1.597 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -25.255 7.643 2.569 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -23.114 8.170 5.363 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -24.745 8.381 4.717 1.00 0.00 H new ATOM 1108 N LEU A 72 -16.455 3.767 0.875 1.00 0.00 N ATOM 1109 CA LEU A 72 -15.687 3.052 -0.130 1.00 0.00 C ATOM 1110 C LEU A 72 -16.430 1.772 -0.519 1.00 0.00 C ATOM 1111 O LEU A 72 -17.398 1.389 0.136 1.00 0.00 O ATOM 1112 CB LEU A 72 -14.258 2.808 0.360 1.00 0.00 C ATOM 1113 CG LEU A 72 -13.191 3.762 -0.182 1.00 0.00 C ATOM 1114 CD1 LEU A 72 -12.465 4.476 0.959 1.00 0.00 C ATOM 1115 CD2 LEU A 72 -12.221 3.029 -1.110 1.00 0.00 C ATOM 0 H LEU A 72 -16.448 3.339 1.801 1.00 0.00 H new ATOM 0 HA LEU A 72 -15.591 3.653 -1.034 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -14.253 2.869 1.448 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -13.974 1.789 0.097 1.00 0.00 H new ATOM 0 HG LEU A 72 -13.687 4.529 -0.777 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -11.712 5.148 0.547 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -13.183 5.051 1.544 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -11.982 3.739 1.600 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -11.473 3.730 -1.481 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -11.727 2.228 -0.560 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -12.771 2.606 -1.951 1.00 0.00 H new ATOM 1127 N PRO A 73 -15.936 1.130 -1.612 1.00 0.00 N ATOM 1128 CA PRO A 73 -16.543 -0.098 -2.096 1.00 0.00 C ATOM 1129 C PRO A 73 -16.182 -1.281 -1.194 1.00 0.00 C ATOM 1130 O PRO A 73 -15.266 -1.187 -0.378 1.00 0.00 O ATOM 1131 CB PRO A 73 -16.030 -0.257 -3.517 1.00 0.00 C ATOM 1132 CG PRO A 73 -14.799 0.629 -3.618 1.00 0.00 C ATOM 1133 CD PRO A 73 -14.792 1.555 -2.412 1.00 0.00 C ATOM 0 HA PRO A 73 -17.632 -0.063 -2.082 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -15.781 -1.297 -3.728 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -16.787 0.043 -4.241 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -13.893 0.023 -3.640 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -14.819 1.206 -4.543 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -13.862 1.467 -1.851 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -14.885 2.598 -2.713 1.00 0.00 H new ATOM 1141 N SER A 74 -16.920 -2.366 -1.371 1.00 0.00 N ATOM 1142 CA SER A 74 -16.689 -3.565 -0.584 1.00 0.00 C ATOM 1143 C SER A 74 -16.294 -4.725 -1.501 1.00 0.00 C ATOM 1144 O SER A 74 -16.029 -5.830 -1.030 1.00 0.00 O ATOM 1145 CB SER A 74 -17.928 -3.934 0.235 1.00 0.00 C ATOM 1146 OG SER A 74 -18.844 -4.731 -0.512 1.00 0.00 O ATOM 0 H SER A 74 -17.679 -2.440 -2.048 1.00 0.00 H new ATOM 0 HA SER A 74 -15.873 -3.366 0.111 1.00 0.00 H new ATOM 0 HB2 SER A 74 -17.623 -4.476 1.130 1.00 0.00 H new ATOM 0 HB3 SER A 74 -18.427 -3.024 0.568 1.00 0.00 H new ATOM 0 HG SER A 74 -19.620 -4.947 0.046 1.00 0.00 H new ATOM 1152 N THR A 75 -16.268 -4.434 -2.793 1.00 0.00 N ATOM 1153 CA THR A 75 -15.909 -5.438 -3.780 1.00 0.00 C ATOM 1154 C THR A 75 -14.400 -5.424 -4.032 1.00 0.00 C ATOM 1155 O THR A 75 -13.831 -6.424 -4.466 1.00 0.00 O ATOM 1156 CB THR A 75 -16.738 -5.180 -5.040 1.00 0.00 C ATOM 1157 OG1 THR A 75 -16.733 -3.761 -5.174 1.00 0.00 O ATOM 1158 CG2 THR A 75 -18.215 -5.532 -4.851 1.00 0.00 C ATOM 0 H THR A 75 -16.490 -3.517 -3.180 1.00 0.00 H new ATOM 0 HA THR A 75 -16.137 -6.442 -3.423 1.00 0.00 H new ATOM 0 HB THR A 75 -16.330 -5.760 -5.868 1.00 0.00 H new ATOM 0 HG1 THR A 75 -17.247 -3.506 -5.968 1.00 0.00 H new ATOM 0 HG21 THR A 75 -18.758 -5.330 -5.774 1.00 0.00 H new ATOM 0 HG22 THR A 75 -18.308 -6.588 -4.599 1.00 0.00 H new ATOM 0 HG23 THR A 75 -18.633 -4.928 -4.045 1.00 0.00 H new ATOM 1166 N LEU A 76 -13.796 -4.280 -3.748 1.00 0.00 N ATOM 1167 CA LEU A 76 -12.364 -4.122 -3.938 1.00 0.00 C ATOM 1168 C LEU A 76 -11.641 -5.343 -3.365 1.00 0.00 C ATOM 1169 O LEU A 76 -10.629 -5.782 -3.910 1.00 0.00 O ATOM 1170 CB LEU A 76 -11.888 -2.793 -3.349 1.00 0.00 C ATOM 1171 CG LEU A 76 -12.003 -2.653 -1.830 1.00 0.00 C ATOM 1172 CD1 LEU A 76 -13.456 -2.795 -1.374 1.00 0.00 C ATOM 1173 CD2 LEU A 76 -11.079 -3.643 -1.117 1.00 0.00 C ATOM 0 H LEU A 76 -14.272 -3.453 -3.388 1.00 0.00 H new ATOM 0 HA LEU A 76 -12.123 -4.077 -5.000 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -10.845 -2.647 -3.629 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -12.458 -1.988 -3.812 1.00 0.00 H new ATOM 0 HG LEU A 76 -11.676 -1.651 -1.554 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -13.509 -2.691 -0.290 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -14.062 -2.020 -1.843 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -13.834 -3.775 -1.664 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -11.180 -3.523 -0.038 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -11.352 -4.661 -1.396 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -10.046 -3.451 -1.408 1.00 0.00 H new ATOM 1185 N VAL A 77 -12.188 -5.857 -2.274 1.00 0.00 N ATOM 1186 CA VAL A 77 -11.607 -7.018 -1.621 1.00 0.00 C ATOM 1187 C VAL A 77 -11.357 -8.111 -2.662 1.00 0.00 C ATOM 1188 O VAL A 77 -10.524 -8.992 -2.455 1.00 0.00 O ATOM 1189 CB VAL A 77 -12.509 -7.480 -0.475 1.00 0.00 C ATOM 1190 CG1 VAL A 77 -12.364 -8.984 -0.234 1.00 0.00 C ATOM 1191 CG2 VAL A 77 -12.220 -6.690 0.803 1.00 0.00 C ATOM 0 H VAL A 77 -13.028 -5.491 -1.825 1.00 0.00 H new ATOM 0 HA VAL A 77 -10.644 -6.765 -1.177 1.00 0.00 H new ATOM 0 HB VAL A 77 -13.542 -7.285 -0.763 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -13.016 -9.286 0.586 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -12.643 -9.526 -1.138 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -11.330 -9.213 0.022 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -12.875 -7.038 1.602 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -11.180 -6.838 1.095 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -12.399 -5.630 0.624 1.00 0.00 H new ATOM 1201 N PHE A 78 -12.094 -8.018 -3.759 1.00 0.00 N ATOM 1202 CA PHE A 78 -11.962 -8.988 -4.833 1.00 0.00 C ATOM 1203 C PHE A 78 -11.208 -8.390 -6.023 1.00 0.00 C ATOM 1204 O PHE A 78 -10.660 -9.121 -6.846 1.00 0.00 O ATOM 1205 CB PHE A 78 -13.378 -9.359 -5.277 1.00 0.00 C ATOM 1206 CG PHE A 78 -13.483 -10.735 -5.938 1.00 0.00 C ATOM 1207 CD1 PHE A 78 -13.244 -10.869 -7.270 1.00 0.00 C ATOM 1208 CD2 PHE A 78 -13.816 -11.823 -5.193 1.00 0.00 C ATOM 1209 CE1 PHE A 78 -13.342 -12.146 -7.883 1.00 0.00 C ATOM 1210 CE2 PHE A 78 -13.913 -13.100 -5.806 1.00 0.00 C ATOM 1211 CZ PHE A 78 -13.674 -13.235 -7.139 1.00 0.00 C ATOM 0 H PHE A 78 -12.784 -7.286 -3.927 1.00 0.00 H new ATOM 0 HA PHE A 78 -11.404 -9.857 -4.483 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -14.038 -9.333 -4.410 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -13.738 -8.604 -5.975 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -12.980 -10.005 -7.861 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -14.007 -11.716 -4.135 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -13.153 -12.253 -8.941 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -14.176 -13.964 -5.214 1.00 0.00 H new ATOM 0 HZ PHE A 78 -13.748 -14.206 -7.606 1.00 0.00 H new ATOM 1221 N ASP A 79 -11.204 -7.066 -6.075 1.00 0.00 N ATOM 1222 CA ASP A 79 -10.527 -6.361 -7.150 1.00 0.00 C ATOM 1223 C ASP A 79 -9.105 -6.010 -6.707 1.00 0.00 C ATOM 1224 O ASP A 79 -8.323 -5.471 -7.489 1.00 0.00 O ATOM 1225 CB ASP A 79 -11.249 -5.058 -7.496 1.00 0.00 C ATOM 1226 CG ASP A 79 -11.081 -4.589 -8.943 1.00 0.00 C ATOM 1227 OD1 ASP A 79 -11.128 -5.394 -9.885 1.00 0.00 O ATOM 1228 OD2 ASP A 79 -10.891 -3.321 -9.086 1.00 0.00 O ATOM 0 H ASP A 79 -11.659 -6.463 -5.390 1.00 0.00 H new ATOM 0 HA ASP A 79 -10.517 -7.011 -8.025 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -12.312 -5.184 -7.292 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -10.888 -4.273 -6.831 1.00 0.00 H new ATOM 1234 N HIS A 80 -8.813 -6.331 -5.455 1.00 0.00 N ATOM 1235 CA HIS A 80 -7.499 -6.057 -4.899 1.00 0.00 C ATOM 1236 C HIS A 80 -6.732 -7.368 -4.724 1.00 0.00 C ATOM 1237 O HIS A 80 -7.182 -8.265 -4.013 1.00 0.00 O ATOM 1238 CB HIS A 80 -7.616 -5.259 -3.598 1.00 0.00 C ATOM 1239 CG HIS A 80 -7.336 -6.069 -2.355 1.00 0.00 C ATOM 1240 ND1 HIS A 80 -6.194 -5.900 -1.591 1.00 0.00 N ATOM 1241 CD2 HIS A 80 -8.061 -7.054 -1.750 1.00 0.00 C ATOM 1242 CE1 HIS A 80 -6.240 -6.750 -0.576 1.00 0.00 C ATOM 1243 NE2 HIS A 80 -7.398 -7.464 -0.677 1.00 0.00 N ATOM 0 H HIS A 80 -9.464 -6.778 -4.810 1.00 0.00 H new ATOM 0 HA HIS A 80 -6.930 -5.434 -5.589 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -6.923 -4.418 -3.636 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -8.620 -4.841 -3.529 1.00 0.00 H new ATOM 0 HD1 HIS A 80 -5.444 -5.234 -1.778 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -9.013 -7.435 -2.088 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -5.492 -6.859 0.196 1.00 0.00 H new ATOM 1251 N PRO A 81 -5.555 -7.440 -5.402 1.00 0.00 N ATOM 1252 CA PRO A 81 -4.720 -8.628 -5.328 1.00 0.00 C ATOM 1253 C PRO A 81 -3.991 -8.703 -3.985 1.00 0.00 C ATOM 1254 O PRO A 81 -3.798 -9.788 -3.440 1.00 0.00 O ATOM 1255 CB PRO A 81 -3.774 -8.517 -6.512 1.00 0.00 C ATOM 1256 CG PRO A 81 -3.800 -7.057 -6.932 1.00 0.00 C ATOM 1257 CD PRO A 81 -4.989 -6.398 -6.253 1.00 0.00 C ATOM 0 HA PRO A 81 -5.296 -9.552 -5.380 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -2.766 -8.826 -6.236 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -4.094 -9.164 -7.329 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -2.873 -6.561 -6.645 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -3.884 -6.973 -8.015 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -4.680 -5.532 -5.667 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -5.717 -6.045 -6.984 1.00 0.00 H new ATOM 1265 N ASN A 82 -3.607 -7.535 -3.491 1.00 0.00 N ATOM 1266 CA ASN A 82 -2.903 -7.455 -2.222 1.00 0.00 C ATOM 1267 C ASN A 82 -3.296 -6.161 -1.506 1.00 0.00 C ATOM 1268 O ASN A 82 -3.846 -5.250 -2.122 1.00 0.00 O ATOM 1269 CB ASN A 82 -1.388 -7.438 -2.432 1.00 0.00 C ATOM 1270 CG ASN A 82 -1.014 -8.063 -3.777 1.00 0.00 C ATOM 1271 OD1 ASN A 82 -0.869 -7.391 -4.785 1.00 0.00 O ATOM 1272 ND2 ASN A 82 -0.866 -9.385 -3.737 1.00 0.00 N ATOM 0 H ASN A 82 -3.770 -6.637 -3.946 1.00 0.00 H new ATOM 0 HA ASN A 82 -3.175 -8.329 -1.630 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -1.023 -6.412 -2.390 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -0.899 -7.984 -1.625 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -0.617 -9.896 -4.584 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -1.002 -9.887 -2.860 1.00 0.00 H new ATOM 1279 N ALA A 83 -2.998 -6.122 -0.216 1.00 0.00 N ATOM 1280 CA ALA A 83 -3.314 -4.955 0.590 1.00 0.00 C ATOM 1281 C ALA A 83 -2.791 -3.700 -0.112 1.00 0.00 C ATOM 1282 O ALA A 83 -3.501 -2.701 -0.216 1.00 0.00 O ATOM 1283 CB ALA A 83 -2.724 -5.127 1.991 1.00 0.00 C ATOM 0 H ALA A 83 -2.541 -6.880 0.291 1.00 0.00 H new ATOM 0 HA ALA A 83 -4.393 -4.846 0.702 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -2.961 -4.252 2.596 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -3.148 -6.016 2.458 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.642 -5.236 1.919 1.00 0.00 H new ATOM 1289 N SER A 84 -1.553 -3.792 -0.576 1.00 0.00 N ATOM 1290 CA SER A 84 -0.927 -2.676 -1.265 1.00 0.00 C ATOM 1291 C SER A 84 -1.947 -1.981 -2.170 1.00 0.00 C ATOM 1292 O SER A 84 -2.000 -0.753 -2.223 1.00 0.00 O ATOM 1293 CB SER A 84 0.278 -3.141 -2.084 1.00 0.00 C ATOM 1294 OG SER A 84 1.295 -2.145 -2.149 1.00 0.00 O ATOM 0 H SER A 84 -0.967 -4.622 -0.488 1.00 0.00 H new ATOM 0 HA SER A 84 -0.572 -1.967 -0.516 1.00 0.00 H new ATOM 0 HB2 SER A 84 0.688 -4.049 -1.642 1.00 0.00 H new ATOM 0 HB3 SER A 84 -0.046 -3.395 -3.093 1.00 0.00 H new ATOM 0 HG SER A 84 2.048 -2.480 -2.679 1.00 0.00 H new ATOM 1300 N ALA A 85 -2.732 -2.796 -2.859 1.00 0.00 N ATOM 1301 CA ALA A 85 -3.747 -2.275 -3.758 1.00 0.00 C ATOM 1302 C ALA A 85 -4.806 -1.526 -2.946 1.00 0.00 C ATOM 1303 O ALA A 85 -5.089 -0.360 -3.214 1.00 0.00 O ATOM 1304 CB ALA A 85 -4.344 -3.423 -4.575 1.00 0.00 C ATOM 0 H ALA A 85 -2.685 -3.814 -2.813 1.00 0.00 H new ATOM 0 HA ALA A 85 -3.309 -1.567 -4.462 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -5.106 -3.032 -5.250 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -3.557 -3.904 -5.156 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -4.795 -4.152 -3.902 1.00 0.00 H new ATOM 1310 N VAL A 86 -5.363 -2.228 -1.970 1.00 0.00 N ATOM 1311 CA VAL A 86 -6.384 -1.644 -1.117 1.00 0.00 C ATOM 1312 C VAL A 86 -5.938 -0.248 -0.677 1.00 0.00 C ATOM 1313 O VAL A 86 -6.732 0.692 -0.683 1.00 0.00 O ATOM 1314 CB VAL A 86 -6.679 -2.576 0.060 1.00 0.00 C ATOM 1315 CG1 VAL A 86 -7.332 -1.812 1.214 1.00 0.00 C ATOM 1316 CG2 VAL A 86 -7.549 -3.756 -0.379 1.00 0.00 C ATOM 0 H VAL A 86 -5.127 -3.196 -1.751 1.00 0.00 H new ATOM 0 HA VAL A 86 -7.319 -1.529 -1.665 1.00 0.00 H new ATOM 0 HB VAL A 86 -5.730 -2.975 0.417 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -7.531 -2.498 2.038 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -6.661 -1.022 1.553 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -8.269 -1.371 0.874 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -7.744 -4.403 0.477 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -8.494 -3.384 -0.775 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -7.030 -4.323 -1.152 1.00 0.00 H new ATOM 1326 N ALA A 87 -4.670 -0.157 -0.306 1.00 0.00 N ATOM 1327 CA ALA A 87 -4.109 1.109 0.136 1.00 0.00 C ATOM 1328 C ALA A 87 -4.456 2.198 -0.880 1.00 0.00 C ATOM 1329 O ALA A 87 -4.975 3.252 -0.513 1.00 0.00 O ATOM 1330 CB ALA A 87 -2.599 0.957 0.335 1.00 0.00 C ATOM 0 H ALA A 87 -4.015 -0.939 -0.302 1.00 0.00 H new ATOM 0 HA ALA A 87 -4.536 1.404 1.094 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -2.178 1.906 0.666 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -2.406 0.192 1.087 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -2.136 0.664 -0.607 1.00 0.00 H new ATOM 1336 N GLY A 88 -4.157 1.908 -2.137 1.00 0.00 N ATOM 1337 CA GLY A 88 -4.431 2.849 -3.209 1.00 0.00 C ATOM 1338 C GLY A 88 -5.922 3.185 -3.276 1.00 0.00 C ATOM 1339 O GLY A 88 -6.322 4.311 -2.988 1.00 0.00 O ATOM 0 H GLY A 88 -3.727 1.033 -2.438 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -3.856 3.761 -3.053 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -4.107 2.427 -4.160 1.00 0.00 H new ATOM 1343 N PHE A 89 -6.704 2.186 -3.659 1.00 0.00 N ATOM 1344 CA PHE A 89 -8.142 2.361 -3.768 1.00 0.00 C ATOM 1345 C PHE A 89 -8.675 3.240 -2.635 1.00 0.00 C ATOM 1346 O PHE A 89 -9.645 3.974 -2.818 1.00 0.00 O ATOM 1347 CB PHE A 89 -8.771 0.970 -3.657 1.00 0.00 C ATOM 1348 CG PHE A 89 -9.605 0.566 -4.875 1.00 0.00 C ATOM 1349 CD1 PHE A 89 -8.990 0.244 -6.044 1.00 0.00 C ATOM 1350 CD2 PHE A 89 -10.962 0.529 -4.787 1.00 0.00 C ATOM 1351 CE1 PHE A 89 -9.764 -0.131 -7.174 1.00 0.00 C ATOM 1352 CE2 PHE A 89 -11.736 0.153 -5.917 1.00 0.00 C ATOM 1353 CZ PHE A 89 -11.121 -0.169 -7.087 1.00 0.00 C ATOM 0 H PHE A 89 -6.369 1.253 -3.898 1.00 0.00 H new ATOM 0 HA PHE A 89 -8.387 2.845 -4.713 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -7.979 0.235 -3.511 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -9.403 0.938 -2.770 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -7.913 0.273 -6.113 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -11.450 0.785 -3.859 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -9.275 -0.386 -8.103 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -12.813 0.123 -5.847 1.00 0.00 H new ATOM 0 HZ PHE A 89 -11.710 -0.455 -7.946 1.00 0.00 H new ATOM 1363 N LEU A 90 -8.017 3.137 -1.490 1.00 0.00 N ATOM 1364 CA LEU A 90 -8.412 3.914 -0.327 1.00 0.00 C ATOM 1365 C LEU A 90 -7.745 5.290 -0.387 1.00 0.00 C ATOM 1366 O LEU A 90 -8.395 6.310 -0.165 1.00 0.00 O ATOM 1367 CB LEU A 90 -8.114 3.142 0.960 1.00 0.00 C ATOM 1368 CG LEU A 90 -9.180 2.137 1.401 1.00 0.00 C ATOM 1369 CD1 LEU A 90 -9.548 1.190 0.257 1.00 0.00 C ATOM 1370 CD2 LEU A 90 -8.734 1.379 2.653 1.00 0.00 C ATOM 0 H LEU A 90 -7.213 2.527 -1.342 1.00 0.00 H new ATOM 0 HA LEU A 90 -9.489 4.081 -0.329 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -7.172 2.609 0.831 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -7.966 3.861 1.766 1.00 0.00 H new ATOM 0 HG LEU A 90 -10.082 2.689 1.664 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -10.307 0.486 0.597 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -9.938 1.767 -0.582 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -8.661 0.641 -0.061 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -9.510 0.671 2.945 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -7.811 0.839 2.442 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -8.563 2.086 3.465 1.00 0.00 H new ATOM 1382 N ASP A 91 -6.455 5.273 -0.690 1.00 0.00 N ATOM 1383 CA ASP A 91 -5.692 6.507 -0.782 1.00 0.00 C ATOM 1384 C ASP A 91 -6.252 7.363 -1.919 1.00 0.00 C ATOM 1385 O ASP A 91 -6.023 8.571 -1.962 1.00 0.00 O ATOM 1386 CB ASP A 91 -4.220 6.223 -1.085 1.00 0.00 C ATOM 1387 CG ASP A 91 -3.225 7.152 -0.386 1.00 0.00 C ATOM 1388 OD1 ASP A 91 -2.581 6.771 0.603 1.00 0.00 O ATOM 1389 OD2 ASP A 91 -3.122 8.329 -0.904 1.00 0.00 O ATOM 0 H ASP A 91 -5.919 4.425 -0.875 1.00 0.00 H new ATOM 0 HA ASP A 91 -5.770 7.024 0.174 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -3.997 5.195 -0.798 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -4.066 6.294 -2.162 1.00 0.00 H new ATOM 1395 N ALA A 92 -6.975 6.704 -2.813 1.00 0.00 N ATOM 1396 CA ALA A 92 -7.569 7.390 -3.948 1.00 0.00 C ATOM 1397 C ALA A 92 -8.970 7.876 -3.569 1.00 0.00 C ATOM 1398 O ALA A 92 -9.441 8.888 -4.085 1.00 0.00 O ATOM 1399 CB ALA A 92 -7.584 6.456 -5.159 1.00 0.00 C ATOM 0 H ALA A 92 -7.163 5.702 -2.774 1.00 0.00 H new ATOM 0 HA ALA A 92 -6.978 8.265 -4.219 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -8.030 6.971 -6.010 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -6.563 6.164 -5.406 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -8.170 5.567 -4.926 1.00 0.00 H new ATOM 1405 N GLU A 93 -9.596 7.131 -2.670 1.00 0.00 N ATOM 1406 CA GLU A 93 -10.933 7.472 -2.215 1.00 0.00 C ATOM 1407 C GLU A 93 -10.861 8.406 -1.006 1.00 0.00 C ATOM 1408 O GLU A 93 -11.835 9.083 -0.680 1.00 0.00 O ATOM 1409 CB GLU A 93 -11.740 6.214 -1.889 1.00 0.00 C ATOM 1410 CG GLU A 93 -12.160 5.484 -3.166 1.00 0.00 C ATOM 1411 CD GLU A 93 -13.684 5.432 -3.292 1.00 0.00 C ATOM 1412 OE1 GLU A 93 -14.390 6.153 -2.572 1.00 0.00 O ATOM 1413 OE2 GLU A 93 -14.130 4.607 -4.177 1.00 0.00 O ATOM 0 H GLU A 93 -9.202 6.292 -2.244 1.00 0.00 H new ATOM 0 HA GLU A 93 -11.447 7.994 -3.022 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -11.145 5.548 -1.264 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -12.625 6.485 -1.313 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -11.737 5.990 -4.034 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -11.757 4.471 -3.159 1.00 0.00 H new ATOM 1421 N LEU A 94 -9.697 8.413 -0.373 1.00 0.00 N ATOM 1422 CA LEU A 94 -9.484 9.253 0.794 1.00 0.00 C ATOM 1423 C LEU A 94 -9.018 10.638 0.342 1.00 0.00 C ATOM 1424 O LEU A 94 -9.274 11.634 1.017 1.00 0.00 O ATOM 1425 CB LEU A 94 -8.528 8.573 1.776 1.00 0.00 C ATOM 1426 CG LEU A 94 -7.050 8.942 1.638 1.00 0.00 C ATOM 1427 CD1 LEU A 94 -6.795 10.373 2.117 1.00 0.00 C ATOM 1428 CD2 LEU A 94 -6.162 7.929 2.362 1.00 0.00 C ATOM 0 H LEU A 94 -8.891 7.850 -0.646 1.00 0.00 H new ATOM 0 HA LEU A 94 -10.418 9.392 1.338 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -8.849 8.813 2.790 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -8.625 7.494 1.658 1.00 0.00 H new ATOM 0 HG LEU A 94 -6.786 8.904 0.581 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -5.737 10.610 2.008 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -7.386 11.067 1.519 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -7.081 10.462 3.165 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -5.116 8.215 2.248 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -6.420 7.910 3.421 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -6.316 6.939 1.934 1.00 0.00 H new ATOM 1440 N GLY A 95 -8.343 10.657 -0.798 1.00 0.00 N ATOM 1441 CA GLY A 95 -7.839 11.904 -1.348 1.00 0.00 C ATOM 1442 C GLY A 95 -8.567 12.265 -2.645 1.00 0.00 C ATOM 1443 O GLY A 95 -9.717 11.878 -2.844 1.00 0.00 O ATOM 0 H GLY A 95 -8.133 9.829 -1.356 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -7.967 12.705 -0.620 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -6.770 11.815 -1.540 1.00 0.00 H new TER 1447 GLY A 95