USER MOD reduce.3.24.130724 H: found=0, std=0, add=643, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 641 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 NoAdj-H: A 48 HIS HD1 : A 48 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN :FLIP amide:sc= 0.74 F(o=-1.3,f=0.74) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 HIS : no HD1:sc= -0.549 K(o=-0.55,f=-2) USER MOD Single : A 23 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0207) USER MOD Single : A 25 THR OG1 : rot 61:sc= 0.517 USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 HIS : no HD1:sc=-0.00821 X(o=-0.0082,f=0) USER MOD Single : A 32 ASN : amide:sc= -0.152 K(o=-0.15,f=-1.1) USER MOD Single : A 33 GLN :FLIP amide:sc= -0.649 F(o=-1.2,f=-0.65) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot -100:sc= 0 USER MOD Single : A 53 ASN :FLIP amide:sc= -1.37! F(o=-2,f=-1.4!) USER MOD Single : A 56 HIS : no HD1:sc= -0.149 X(o=-0.15,f=0.0052) USER MOD Single : A 58 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0348) USER MOD Single : A 59 ASN :FLIP amide:sc= 0 F(o=-0.68,f=0) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 MET CE :methyl -176:sc= -0.654 (180deg=-0.69) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ -174:sc= -0.036 (180deg=-0.097) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot -157:sc= 0.516 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.532 13.439 23.457 1.00 0.00 N ATOM 2 CA GLY A 1 -7.190 13.944 23.677 1.00 0.00 C ATOM 3 C GLY A 1 -6.157 12.836 23.740 1.00 0.00 C ATOM 4 O GLY A 1 -6.017 12.166 24.763 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.201 14.235 23.422 1.00 0.00 H new ATOM 0 H2 GLY A 1 -8.564 12.919 22.557 1.00 0.00 H new ATOM 0 H3 GLY A 1 -8.794 12.800 24.235 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.929 14.635 22.875 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -7.167 14.512 24.607 1.00 0.00 H new ATOM 8 N SER A 2 -5.432 12.642 22.642 1.00 0.00 N ATOM 9 CA SER A 2 -4.411 11.604 22.575 1.00 0.00 C ATOM 10 C SER A 2 -3.015 12.206 22.703 1.00 0.00 C ATOM 11 O SER A 2 -2.834 13.416 22.569 1.00 0.00 O ATOM 12 CB SER A 2 -4.526 10.830 21.260 1.00 0.00 C ATOM 13 OG SER A 2 -5.853 10.378 21.049 1.00 0.00 O ATOM 0 H SER A 2 -5.533 13.190 21.788 1.00 0.00 H new ATOM 0 HA SER A 2 -4.570 10.918 23.407 1.00 0.00 H new ATOM 0 HB2 SER A 2 -4.219 11.468 20.431 1.00 0.00 H new ATOM 0 HB3 SER A 2 -3.846 9.978 21.275 1.00 0.00 H new ATOM 0 HG SER A 2 -5.901 9.888 20.202 1.00 0.00 H new ATOM 19 N SER A 3 -2.030 11.352 22.962 1.00 0.00 N ATOM 20 CA SER A 3 -0.650 11.798 23.112 1.00 0.00 C ATOM 21 C SER A 3 0.193 11.367 21.916 1.00 0.00 C ATOM 22 O SER A 3 -0.230 10.542 21.109 1.00 0.00 O ATOM 23 CB SER A 3 -0.049 11.240 24.403 1.00 0.00 C ATOM 24 OG SER A 3 -0.001 9.824 24.373 1.00 0.00 O ATOM 0 H SER A 3 -2.162 10.347 23.072 1.00 0.00 H new ATOM 0 HA SER A 3 -0.649 12.887 23.161 1.00 0.00 H new ATOM 0 HB2 SER A 3 0.956 11.638 24.542 1.00 0.00 H new ATOM 0 HB3 SER A 3 -0.643 11.569 25.256 1.00 0.00 H new ATOM 0 HG SER A 3 0.389 9.492 25.209 1.00 0.00 H new ATOM 30 N GLY A 4 1.392 11.933 21.811 1.00 0.00 N ATOM 31 CA GLY A 4 2.277 11.596 20.711 1.00 0.00 C ATOM 32 C GLY A 4 3.093 10.349 20.985 1.00 0.00 C ATOM 33 O GLY A 4 4.151 10.416 21.612 1.00 0.00 O ATOM 0 H GLY A 4 1.766 12.618 22.468 1.00 0.00 H new ATOM 0 HA2 GLY A 4 1.687 11.449 19.806 1.00 0.00 H new ATOM 0 HA3 GLY A 4 2.950 12.432 20.521 1.00 0.00 H new ATOM 37 N SER A 5 2.601 9.207 20.517 1.00 0.00 N ATOM 38 CA SER A 5 3.289 7.937 20.720 1.00 0.00 C ATOM 39 C SER A 5 4.149 7.585 19.509 1.00 0.00 C ATOM 40 O SER A 5 3.643 7.114 18.490 1.00 0.00 O ATOM 41 CB SER A 5 2.277 6.820 20.982 1.00 0.00 C ATOM 42 OG SER A 5 2.923 5.566 21.111 1.00 0.00 O ATOM 0 H SER A 5 1.728 9.135 19.994 1.00 0.00 H new ATOM 0 HA SER A 5 3.939 8.040 21.589 1.00 0.00 H new ATOM 0 HB2 SER A 5 1.716 7.039 21.891 1.00 0.00 H new ATOM 0 HB3 SER A 5 1.556 6.779 20.165 1.00 0.00 H new ATOM 0 HG SER A 5 2.255 4.869 21.279 1.00 0.00 H new ATOM 48 N SER A 6 5.452 7.818 19.629 1.00 0.00 N ATOM 49 CA SER A 6 6.383 7.530 18.544 1.00 0.00 C ATOM 50 C SER A 6 7.725 7.054 19.092 1.00 0.00 C ATOM 51 O SER A 6 8.035 7.254 20.265 1.00 0.00 O ATOM 52 CB SER A 6 6.586 8.773 17.675 1.00 0.00 C ATOM 53 OG SER A 6 7.079 8.423 16.393 1.00 0.00 O ATOM 0 H SER A 6 5.887 8.205 20.466 1.00 0.00 H new ATOM 0 HA SER A 6 5.957 6.734 17.934 1.00 0.00 H new ATOM 0 HB2 SER A 6 5.641 9.307 17.572 1.00 0.00 H new ATOM 0 HB3 SER A 6 7.284 9.452 18.164 1.00 0.00 H new ATOM 0 HG SER A 6 7.199 9.234 15.856 1.00 0.00 H new ATOM 59 N GLY A 7 8.517 6.421 18.231 1.00 0.00 N ATOM 60 CA GLY A 7 9.816 5.925 18.646 1.00 0.00 C ATOM 61 C GLY A 7 10.949 6.836 18.215 1.00 0.00 C ATOM 62 O GLY A 7 10.719 7.977 17.814 1.00 0.00 O ATOM 0 H GLY A 7 8.282 6.243 17.254 1.00 0.00 H new ATOM 0 HA2 GLY A 7 9.832 5.819 19.731 1.00 0.00 H new ATOM 0 HA3 GLY A 7 9.973 4.931 18.226 1.00 0.00 H new ATOM 66 N ASP A 8 12.175 6.332 18.299 1.00 0.00 N ATOM 67 CA ASP A 8 13.348 7.108 17.916 1.00 0.00 C ATOM 68 C ASP A 8 13.207 7.640 16.493 1.00 0.00 C ATOM 69 O ASP A 8 13.787 8.668 16.144 1.00 0.00 O ATOM 70 CB ASP A 8 14.612 6.254 18.031 1.00 0.00 C ATOM 71 CG ASP A 8 14.395 4.833 17.548 1.00 0.00 C ATOM 72 OD1 ASP A 8 14.280 4.634 16.321 1.00 0.00 O ATOM 73 OD2 ASP A 8 14.340 3.919 18.399 1.00 0.00 O ATOM 0 H ASP A 8 12.382 5.389 18.629 1.00 0.00 H new ATOM 0 HA ASP A 8 13.429 7.956 18.596 1.00 0.00 H new ATOM 0 HB2 ASP A 8 15.412 6.714 17.451 1.00 0.00 H new ATOM 0 HB3 ASP A 8 14.942 6.236 19.070 1.00 0.00 H new ATOM 78 N GLN A 9 12.433 6.932 15.676 1.00 0.00 N ATOM 79 CA GLN A 9 12.217 7.332 14.291 1.00 0.00 C ATOM 80 C GLN A 9 10.778 7.063 13.865 1.00 0.00 C ATOM 81 O GLN A 9 10.074 6.268 14.487 1.00 0.00 O ATOM 82 CB GLN A 9 13.182 6.588 13.367 1.00 0.00 C ATOM 83 CG GLN A 9 14.644 6.923 13.617 1.00 0.00 C ATOM 84 CD GLN A 9 14.990 8.348 13.235 1.00 0.00 C ATOM 85 OE1 GLN A 9 15.404 8.544 11.988 1.00 0.00 O flip ATOM 86 NE2 GLN A 9 14.886 9.265 14.051 1.00 0.00 N flip ATOM 0 H GLN A 9 11.945 6.079 15.950 1.00 0.00 H new ATOM 0 HA GLN A 9 12.405 8.403 14.215 1.00 0.00 H new ATOM 0 HB2 GLN A 9 13.037 5.515 13.492 1.00 0.00 H new ATOM 0 HB3 GLN A 9 12.936 6.824 12.332 1.00 0.00 H new ATOM 0 HG2 GLN A 9 14.873 6.768 14.671 1.00 0.00 H new ATOM 0 HG3 GLN A 9 15.272 6.236 13.050 1.00 0.00 H new ATOM 0 HE21 GLN A 9 14.564 9.070 14.999 1.00 0.00 H new ATOM 0 HE22 GLN A 9 15.122 10.219 13.779 1.00 0.00 H new ATOM 95 N ASP A 10 10.347 7.731 12.801 1.00 0.00 N ATOM 96 CA ASP A 10 8.991 7.564 12.290 1.00 0.00 C ATOM 97 C ASP A 10 9.008 7.211 10.806 1.00 0.00 C ATOM 98 O ASP A 10 9.541 7.959 9.985 1.00 0.00 O ATOM 99 CB ASP A 10 8.178 8.840 12.514 1.00 0.00 C ATOM 100 CG ASP A 10 8.955 10.092 12.157 1.00 0.00 C ATOM 101 OD1 ASP A 10 9.358 10.224 10.982 1.00 0.00 O ATOM 102 OD2 ASP A 10 9.160 10.939 13.051 1.00 0.00 O ATOM 0 H ASP A 10 10.917 8.394 12.275 1.00 0.00 H new ATOM 0 HA ASP A 10 8.523 6.744 12.834 1.00 0.00 H new ATOM 0 HB2 ASP A 10 7.268 8.797 11.915 1.00 0.00 H new ATOM 0 HB3 ASP A 10 7.870 8.892 13.558 1.00 0.00 H new ATOM 107 N THR A 11 8.423 6.066 10.469 1.00 0.00 N ATOM 108 CA THR A 11 8.373 5.613 9.084 1.00 0.00 C ATOM 109 C THR A 11 7.165 6.195 8.358 1.00 0.00 C ATOM 110 O THR A 11 6.140 6.489 8.974 1.00 0.00 O ATOM 111 CB THR A 11 8.318 4.076 8.999 1.00 0.00 C ATOM 112 OG1 THR A 11 9.235 3.500 9.936 1.00 0.00 O ATOM 113 CG2 THR A 11 8.655 3.600 7.594 1.00 0.00 C ATOM 0 H THR A 11 7.977 5.436 11.136 1.00 0.00 H new ATOM 0 HA THR A 11 9.286 5.964 8.603 1.00 0.00 H new ATOM 0 HB THR A 11 7.304 3.757 9.241 1.00 0.00 H new ATOM 0 HG1 THR A 11 9.193 2.523 9.877 1.00 0.00 H new ATOM 0 HG21 THR A 11 8.610 2.512 7.558 1.00 0.00 H new ATOM 0 HG22 THR A 11 7.938 4.017 6.887 1.00 0.00 H new ATOM 0 HG23 THR A 11 9.659 3.930 7.329 1.00 0.00 H new ATOM 121 N LEU A 12 7.292 6.358 7.046 1.00 0.00 N ATOM 122 CA LEU A 12 6.210 6.904 6.235 1.00 0.00 C ATOM 123 C LEU A 12 5.123 5.860 6.003 1.00 0.00 C ATOM 124 O LEU A 12 3.934 6.179 5.983 1.00 0.00 O ATOM 125 CB LEU A 12 6.752 7.400 4.893 1.00 0.00 C ATOM 126 CG LEU A 12 7.734 8.570 4.957 1.00 0.00 C ATOM 127 CD1 LEU A 12 8.638 8.575 3.734 1.00 0.00 C ATOM 128 CD2 LEU A 12 6.985 9.889 5.074 1.00 0.00 C ATOM 0 H LEU A 12 8.134 6.120 6.521 1.00 0.00 H new ATOM 0 HA LEU A 12 5.772 7.743 6.775 1.00 0.00 H new ATOM 0 HB2 LEU A 12 7.244 6.566 4.392 1.00 0.00 H new ATOM 0 HB3 LEU A 12 5.908 7.694 4.269 1.00 0.00 H new ATOM 0 HG LEU A 12 8.357 8.449 5.843 1.00 0.00 H new ATOM 0 HD11 LEU A 12 9.330 9.415 3.797 1.00 0.00 H new ATOM 0 HD12 LEU A 12 9.201 7.643 3.694 1.00 0.00 H new ATOM 0 HD13 LEU A 12 8.031 8.671 2.834 1.00 0.00 H new ATOM 0 HD21 LEU A 12 7.700 10.711 5.118 1.00 0.00 H new ATOM 0 HD22 LEU A 12 6.337 10.018 4.207 1.00 0.00 H new ATOM 0 HD23 LEU A 12 6.380 9.885 5.981 1.00 0.00 H new ATOM 140 N VAL A 13 5.538 4.609 5.830 1.00 0.00 N ATOM 141 CA VAL A 13 4.600 3.516 5.602 1.00 0.00 C ATOM 142 C VAL A 13 3.299 3.742 6.364 1.00 0.00 C ATOM 143 O VAL A 13 3.285 3.768 7.594 1.00 0.00 O ATOM 144 CB VAL A 13 5.201 2.163 6.025 1.00 0.00 C ATOM 145 CG1 VAL A 13 4.160 1.059 5.919 1.00 0.00 C ATOM 146 CG2 VAL A 13 6.424 1.837 5.181 1.00 0.00 C ATOM 0 H VAL A 13 6.518 4.327 5.843 1.00 0.00 H new ATOM 0 HA VAL A 13 4.393 3.494 4.532 1.00 0.00 H new ATOM 0 HB VAL A 13 5.515 2.234 7.066 1.00 0.00 H new ATOM 0 HG11 VAL A 13 4.603 0.110 6.222 1.00 0.00 H new ATOM 0 HG12 VAL A 13 3.317 1.290 6.570 1.00 0.00 H new ATOM 0 HG13 VAL A 13 3.813 0.984 4.889 1.00 0.00 H new ATOM 0 HG21 VAL A 13 6.836 0.878 5.493 1.00 0.00 H new ATOM 0 HG22 VAL A 13 6.138 1.784 4.131 1.00 0.00 H new ATOM 0 HG23 VAL A 13 7.176 2.615 5.314 1.00 0.00 H new ATOM 156 N GLN A 14 2.207 3.904 5.624 1.00 0.00 N ATOM 157 CA GLN A 14 0.900 4.128 6.230 1.00 0.00 C ATOM 158 C GLN A 14 0.008 2.901 6.069 1.00 0.00 C ATOM 159 O GLN A 14 0.420 1.893 5.496 1.00 0.00 O ATOM 160 CB GLN A 14 0.226 5.349 5.603 1.00 0.00 C ATOM 161 CG GLN A 14 0.795 6.674 6.086 1.00 0.00 C ATOM 162 CD GLN A 14 -0.002 7.866 5.595 1.00 0.00 C ATOM 163 OE1 GLN A 14 -1.097 8.141 6.088 1.00 0.00 O ATOM 164 NE2 GLN A 14 0.543 8.582 4.619 1.00 0.00 N ATOM 0 H GLN A 14 2.201 3.884 4.604 1.00 0.00 H new ATOM 0 HA GLN A 14 1.048 4.310 7.294 1.00 0.00 H new ATOM 0 HB2 GLN A 14 0.328 5.293 4.519 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -0.841 5.319 5.825 1.00 0.00 H new ATOM 0 HG2 GLN A 14 0.816 6.680 7.176 1.00 0.00 H new ATOM 0 HG3 GLN A 14 1.827 6.767 5.747 1.00 0.00 H new ATOM 0 HE21 GLN A 14 1.452 8.318 4.240 1.00 0.00 H new ATOM 0 HE22 GLN A 14 0.052 9.396 4.248 1.00 0.00 H new ATOM 173 N ARG A 15 -1.216 2.995 6.578 1.00 0.00 N ATOM 174 CA ARG A 15 -2.166 1.892 6.492 1.00 0.00 C ATOM 175 C ARG A 15 -3.594 2.414 6.354 1.00 0.00 C ATOM 176 O ARG A 15 -4.154 2.973 7.296 1.00 0.00 O ATOM 177 CB ARG A 15 -2.055 0.998 7.728 1.00 0.00 C ATOM 178 CG ARG A 15 -0.843 0.082 7.710 1.00 0.00 C ATOM 179 CD ARG A 15 -1.033 -1.112 8.633 1.00 0.00 C ATOM 180 NE ARG A 15 -0.721 -0.784 10.022 1.00 0.00 N ATOM 181 CZ ARG A 15 0.433 -1.085 10.606 1.00 0.00 C ATOM 182 NH1 ARG A 15 1.380 -1.716 9.926 1.00 0.00 N ATOM 183 NH2 ARG A 15 0.642 -0.754 11.874 1.00 0.00 N ATOM 0 H ARG A 15 -1.573 3.823 7.054 1.00 0.00 H new ATOM 0 HA ARG A 15 -1.925 1.306 5.605 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -2.012 1.626 8.618 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -2.957 0.392 7.810 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -0.665 -0.268 6.693 1.00 0.00 H new ATOM 0 HG3 ARG A 15 0.042 0.641 8.014 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -2.063 -1.462 8.566 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -0.395 -1.932 8.302 1.00 0.00 H new ATOM 0 HE ARG A 15 -1.428 -0.297 10.573 1.00 0.00 H new ATOM 0 HH11 ARG A 15 1.223 -1.972 8.951 1.00 0.00 H new ATOM 0 HH12 ARG A 15 2.265 -1.946 10.378 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -0.084 -0.268 12.401 1.00 0.00 H new ATOM 0 HH22 ARG A 15 1.529 -0.985 12.322 1.00 0.00 H new ATOM 197 N ALA A 16 -4.175 2.226 5.174 1.00 0.00 N ATOM 198 CA ALA A 16 -5.537 2.676 4.914 1.00 0.00 C ATOM 199 C ALA A 16 -6.539 1.923 5.782 1.00 0.00 C ATOM 200 O ALA A 16 -6.560 0.693 5.797 1.00 0.00 O ATOM 201 CB ALA A 16 -5.877 2.504 3.441 1.00 0.00 C ATOM 0 H ALA A 16 -3.724 1.765 4.383 1.00 0.00 H new ATOM 0 HA ALA A 16 -5.599 3.734 5.169 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -6.897 2.844 3.261 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.186 3.093 2.837 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -5.792 1.452 3.168 1.00 0.00 H new ATOM 207 N GLU A 17 -7.369 2.670 6.504 1.00 0.00 N ATOM 208 CA GLU A 17 -8.372 2.072 7.376 1.00 0.00 C ATOM 209 C GLU A 17 -9.479 1.412 6.559 1.00 0.00 C ATOM 210 O GLU A 17 -10.158 2.068 5.768 1.00 0.00 O ATOM 211 CB GLU A 17 -8.971 3.131 8.304 1.00 0.00 C ATOM 212 CG GLU A 17 -9.480 2.569 9.621 1.00 0.00 C ATOM 213 CD GLU A 17 -8.356 2.171 10.558 1.00 0.00 C ATOM 214 OE1 GLU A 17 -7.259 1.838 10.063 1.00 0.00 O ATOM 215 OE2 GLU A 17 -8.574 2.192 11.788 1.00 0.00 O ATOM 0 H GLU A 17 -7.366 3.690 6.502 1.00 0.00 H new ATOM 0 HA GLU A 17 -7.882 1.307 7.978 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -8.216 3.890 8.510 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -9.793 3.630 7.790 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -10.110 3.312 10.110 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -10.108 1.700 9.423 1.00 0.00 H new ATOM 222 N HIS A 18 -9.655 0.109 6.755 1.00 0.00 N ATOM 223 CA HIS A 18 -10.680 -0.641 6.037 1.00 0.00 C ATOM 224 C HIS A 18 -12.069 -0.316 6.576 1.00 0.00 C ATOM 225 O HIS A 18 -12.327 -0.448 7.773 1.00 0.00 O ATOM 226 CB HIS A 18 -10.415 -2.143 6.148 1.00 0.00 C ATOM 227 CG HIS A 18 -9.464 -2.661 5.113 1.00 0.00 C ATOM 228 ND1 HIS A 18 -9.758 -3.725 4.287 1.00 0.00 N ATOM 229 CD2 HIS A 18 -8.219 -2.255 4.773 1.00 0.00 C ATOM 230 CE1 HIS A 18 -8.735 -3.952 3.483 1.00 0.00 C ATOM 231 NE2 HIS A 18 -7.787 -3.073 3.758 1.00 0.00 N ATOM 0 H HIS A 18 -9.101 -0.449 7.405 1.00 0.00 H new ATOM 0 HA HIS A 18 -10.640 -0.349 4.987 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -10.015 -2.361 7.138 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -11.361 -2.678 6.061 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -7.668 -1.439 5.217 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -8.682 -4.724 2.730 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -6.882 -3.012 3.292 1.00 0.00 H new ATOM 240 N ILE A 19 -12.960 0.109 5.687 1.00 0.00 N ATOM 241 CA ILE A 19 -14.323 0.452 6.074 1.00 0.00 C ATOM 242 C ILE A 19 -15.323 -0.553 5.513 1.00 0.00 C ATOM 243 O ILE A 19 -15.400 -0.781 4.306 1.00 0.00 O ATOM 244 CB ILE A 19 -14.706 1.864 5.594 1.00 0.00 C ATOM 245 CG1 ILE A 19 -13.734 2.901 6.161 1.00 0.00 C ATOM 246 CG2 ILE A 19 -16.135 2.192 6.000 1.00 0.00 C ATOM 247 CD1 ILE A 19 -13.847 3.079 7.659 1.00 0.00 C ATOM 0 H ILE A 19 -12.762 0.224 4.693 1.00 0.00 H new ATOM 0 HA ILE A 19 -14.358 0.426 7.163 1.00 0.00 H new ATOM 0 HB ILE A 19 -14.643 1.891 4.506 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -12.714 2.605 5.914 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -13.914 3.860 5.675 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -16.391 3.193 5.654 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -16.816 1.468 5.552 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -16.224 2.150 7.086 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -13.129 3.829 7.992 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -14.856 3.406 7.912 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -13.638 2.131 8.155 1.00 0.00 H new ATOM 259 N PRO A 20 -16.110 -1.167 6.408 1.00 0.00 N ATOM 260 CA PRO A 20 -17.122 -2.156 6.026 1.00 0.00 C ATOM 261 C PRO A 20 -18.295 -1.527 5.281 1.00 0.00 C ATOM 262 O PRO A 20 -18.437 -0.305 5.247 1.00 0.00 O ATOM 263 CB PRO A 20 -17.586 -2.727 7.368 1.00 0.00 C ATOM 264 CG PRO A 20 -17.308 -1.646 8.356 1.00 0.00 C ATOM 265 CD PRO A 20 -16.073 -0.944 7.863 1.00 0.00 C ATOM 0 HA PRO A 20 -16.721 -2.906 5.344 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -18.646 -2.980 7.345 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -17.046 -3.640 7.618 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -18.148 -0.955 8.426 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -17.151 -2.059 9.353 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -16.090 0.118 8.107 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -15.170 -1.359 8.310 1.00 0.00 H new ATOM 273 N ALA A 21 -19.132 -2.370 4.686 1.00 0.00 N ATOM 274 CA ALA A 21 -20.294 -1.896 3.944 1.00 0.00 C ATOM 275 C ALA A 21 -21.401 -1.440 4.889 1.00 0.00 C ATOM 276 O ALA A 21 -21.413 -1.800 6.065 1.00 0.00 O ATOM 277 CB ALA A 21 -20.807 -2.986 3.014 1.00 0.00 C ATOM 0 H ALA A 21 -19.027 -3.384 4.703 1.00 0.00 H new ATOM 0 HA ALA A 21 -19.987 -1.038 3.346 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -21.675 -2.618 2.466 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -20.023 -3.261 2.309 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -21.091 -3.860 3.600 1.00 0.00 H new ATOM 283 N GLY A 22 -22.329 -0.645 4.366 1.00 0.00 N ATOM 284 CA GLY A 22 -23.427 -0.153 5.177 1.00 0.00 C ATOM 285 C GLY A 22 -22.957 0.741 6.308 1.00 0.00 C ATOM 286 O GLY A 22 -23.595 0.816 7.357 1.00 0.00 O ATOM 0 H GLY A 22 -22.340 -0.333 3.395 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -24.122 0.400 4.545 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -23.977 -0.999 5.591 1.00 0.00 H new ATOM 290 N LYS A 23 -21.835 1.421 6.095 1.00 0.00 N ATOM 291 CA LYS A 23 -21.278 2.314 7.103 1.00 0.00 C ATOM 292 C LYS A 23 -21.010 3.697 6.518 1.00 0.00 C ATOM 293 O LYS A 23 -21.530 4.700 7.008 1.00 0.00 O ATOM 294 CB LYS A 23 -19.983 1.730 7.672 1.00 0.00 C ATOM 295 CG LYS A 23 -19.593 2.313 9.019 1.00 0.00 C ATOM 296 CD LYS A 23 -18.907 3.660 8.867 1.00 0.00 C ATOM 297 CE LYS A 23 -18.066 3.999 10.088 1.00 0.00 C ATOM 298 NZ LYS A 23 -18.897 4.115 11.318 1.00 0.00 N ATOM 0 H LYS A 23 -21.294 1.370 5.232 1.00 0.00 H new ATOM 0 HA LYS A 23 -22.008 2.414 7.906 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -20.094 0.650 7.771 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -19.174 1.903 6.963 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -20.482 2.425 9.639 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -18.928 1.622 9.537 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -18.274 3.649 7.980 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -19.657 4.436 8.714 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -17.309 3.229 10.233 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -17.538 4.937 9.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -18.298 4.413 12.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -19.646 4.820 11.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -19.327 3.193 11.534 1.00 0.00 H new ATOM 312 N ARG A 24 -20.199 3.742 5.466 1.00 0.00 N ATOM 313 CA ARG A 24 -19.863 5.002 4.814 1.00 0.00 C ATOM 314 C ARG A 24 -19.815 4.834 3.298 1.00 0.00 C ATOM 315 O ARG A 24 -19.328 3.824 2.789 1.00 0.00 O ATOM 316 CB ARG A 24 -18.517 5.521 5.323 1.00 0.00 C ATOM 317 CG ARG A 24 -18.639 6.502 6.478 1.00 0.00 C ATOM 318 CD ARG A 24 -17.523 7.534 6.453 1.00 0.00 C ATOM 319 NE ARG A 24 -17.926 8.791 7.077 1.00 0.00 N ATOM 320 CZ ARG A 24 -18.585 9.751 6.438 1.00 0.00 C ATOM 321 NH1 ARG A 24 -18.914 9.598 5.162 1.00 0.00 N ATOM 322 NH2 ARG A 24 -18.917 10.867 7.074 1.00 0.00 N ATOM 0 H ARG A 24 -19.763 2.921 5.047 1.00 0.00 H new ATOM 0 HA ARG A 24 -20.640 5.727 5.058 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -17.907 4.675 5.639 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -17.989 6.005 4.501 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -19.604 7.007 6.428 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -18.612 5.959 7.423 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -16.650 7.136 6.970 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -17.225 7.721 5.421 1.00 0.00 H new ATOM 0 HE ARG A 24 -17.688 8.940 8.058 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -18.661 8.742 4.669 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -19.420 10.337 4.674 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -18.666 10.989 8.055 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -19.423 11.603 6.582 1.00 0.00 H new ATOM 336 N THR A 25 -20.325 5.830 2.581 1.00 0.00 N ATOM 337 CA THR A 25 -20.343 5.792 1.124 1.00 0.00 C ATOM 338 C THR A 25 -19.846 7.107 0.534 1.00 0.00 C ATOM 339 O THR A 25 -20.568 7.811 -0.172 1.00 0.00 O ATOM 340 CB THR A 25 -21.757 5.504 0.587 1.00 0.00 C ATOM 341 OG1 THR A 25 -22.654 6.548 0.982 1.00 0.00 O ATOM 342 CG2 THR A 25 -22.269 4.167 1.101 1.00 0.00 C ATOM 0 H THR A 25 -20.731 6.673 2.986 1.00 0.00 H new ATOM 0 HA THR A 25 -19.676 4.985 0.821 1.00 0.00 H new ATOM 0 HB THR A 25 -21.707 5.462 -0.501 1.00 0.00 H new ATOM 0 HG1 THR A 25 -22.348 7.401 0.609 1.00 0.00 H new ATOM 0 HG21 THR A 25 -23.269 3.985 0.708 1.00 0.00 H new ATOM 0 HG22 THR A 25 -21.600 3.371 0.773 1.00 0.00 H new ATOM 0 HG23 THR A 25 -22.305 4.185 2.190 1.00 0.00 H new ATOM 350 N PRO A 26 -18.582 7.448 0.828 1.00 0.00 N ATOM 351 CA PRO A 26 -17.960 8.680 0.334 1.00 0.00 C ATOM 352 C PRO A 26 -17.703 8.638 -1.168 1.00 0.00 C ATOM 353 O PRO A 26 -17.808 7.585 -1.796 1.00 0.00 O ATOM 354 CB PRO A 26 -16.637 8.741 1.101 1.00 0.00 C ATOM 355 CG PRO A 26 -16.334 7.323 1.447 1.00 0.00 C ATOM 356 CD PRO A 26 -17.664 6.656 1.663 1.00 0.00 C ATOM 0 HA PRO A 26 -18.599 9.549 0.488 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -15.846 9.178 0.492 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -16.726 9.357 1.996 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -15.779 6.836 0.645 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -15.717 7.263 2.344 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -17.643 5.610 1.357 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -17.958 6.675 2.713 1.00 0.00 H new ATOM 364 N MET A 27 -17.365 9.790 -1.738 1.00 0.00 N ATOM 365 CA MET A 27 -17.092 9.884 -3.168 1.00 0.00 C ATOM 366 C MET A 27 -15.610 9.661 -3.453 1.00 0.00 C ATOM 367 O MET A 27 -14.760 10.437 -3.016 1.00 0.00 O ATOM 368 CB MET A 27 -17.527 11.249 -3.704 1.00 0.00 C ATOM 369 CG MET A 27 -17.919 11.229 -5.172 1.00 0.00 C ATOM 370 SD MET A 27 -19.163 12.471 -5.576 1.00 0.00 S ATOM 371 CE MET A 27 -20.608 11.438 -5.811 1.00 0.00 C ATOM 0 H MET A 27 -17.274 10.671 -1.232 1.00 0.00 H new ATOM 0 HA MET A 27 -17.663 9.105 -3.674 1.00 0.00 H new ATOM 0 HB2 MET A 27 -18.371 11.609 -3.116 1.00 0.00 H new ATOM 0 HB3 MET A 27 -16.714 11.961 -3.563 1.00 0.00 H new ATOM 0 HG2 MET A 27 -17.032 11.397 -5.783 1.00 0.00 H new ATOM 0 HG3 MET A 27 -18.301 10.241 -5.429 1.00 0.00 H new ATOM 0 HE1 MET A 27 -21.464 12.062 -6.067 1.00 0.00 H new ATOM 0 HE2 MET A 27 -20.421 10.729 -6.618 1.00 0.00 H new ATOM 0 HE3 MET A 27 -20.819 10.893 -4.891 1.00 0.00 H new ATOM 381 N CYS A 28 -15.307 8.597 -4.190 1.00 0.00 N ATOM 382 CA CYS A 28 -13.929 8.271 -4.533 1.00 0.00 C ATOM 383 C CYS A 28 -13.177 9.514 -5.002 1.00 0.00 C ATOM 384 O CYS A 28 -13.777 10.561 -5.241 1.00 0.00 O ATOM 385 CB CYS A 28 -13.893 7.198 -5.623 1.00 0.00 C ATOM 386 SG CYS A 28 -12.341 6.246 -5.678 1.00 0.00 S ATOM 0 H CYS A 28 -15.999 7.946 -4.561 1.00 0.00 H new ATOM 0 HA CYS A 28 -13.439 7.887 -3.638 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -14.724 6.510 -5.468 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -14.050 7.673 -6.591 1.00 0.00 H new ATOM 391 N ALA A 29 -11.860 9.388 -5.132 1.00 0.00 N ATOM 392 CA ALA A 29 -11.027 10.499 -5.575 1.00 0.00 C ATOM 393 C ALA A 29 -10.517 10.271 -6.994 1.00 0.00 C ATOM 394 O ALA A 29 -10.494 11.192 -7.811 1.00 0.00 O ATOM 395 CB ALA A 29 -9.860 10.697 -4.618 1.00 0.00 C ATOM 0 H ALA A 29 -11.348 8.528 -4.937 1.00 0.00 H new ATOM 0 HA ALA A 29 -11.638 11.401 -5.577 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -9.246 11.530 -4.961 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -10.241 10.913 -3.620 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -9.257 9.790 -4.587 1.00 0.00 H new ATOM 401 N HIS A 30 -10.108 9.040 -7.281 1.00 0.00 N ATOM 402 CA HIS A 30 -9.599 8.692 -8.603 1.00 0.00 C ATOM 403 C HIS A 30 -10.723 8.686 -9.634 1.00 0.00 C ATOM 404 O HIS A 30 -10.716 9.476 -10.579 1.00 0.00 O ATOM 405 CB HIS A 30 -8.918 7.323 -8.566 1.00 0.00 C ATOM 406 CG HIS A 30 -8.410 6.871 -9.900 1.00 0.00 C ATOM 407 ND1 HIS A 30 -7.168 7.216 -10.389 1.00 0.00 N ATOM 408 CD2 HIS A 30 -8.984 6.094 -10.849 1.00 0.00 C ATOM 409 CE1 HIS A 30 -7.000 6.673 -11.582 1.00 0.00 C ATOM 410 NE2 HIS A 30 -8.088 5.987 -11.884 1.00 0.00 N ATOM 0 H HIS A 30 -10.119 8.266 -6.616 1.00 0.00 H new ATOM 0 HA HIS A 30 -8.868 9.446 -8.894 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -8.086 7.359 -7.863 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -9.625 6.585 -8.186 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -9.964 5.643 -10.801 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -6.123 6.773 -12.204 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -8.238 5.463 -12.746 1.00 0.00 H new ATOM 419 N CYS A 31 -11.687 7.791 -9.447 1.00 0.00 N ATOM 420 CA CYS A 31 -12.817 7.681 -10.361 1.00 0.00 C ATOM 421 C CYS A 31 -13.891 8.712 -10.025 1.00 0.00 C ATOM 422 O CYS A 31 -14.624 9.168 -10.901 1.00 0.00 O ATOM 423 CB CYS A 31 -13.411 6.272 -10.305 1.00 0.00 C ATOM 424 SG CYS A 31 -14.265 5.888 -8.742 1.00 0.00 S ATOM 0 H CYS A 31 -11.708 7.131 -8.670 1.00 0.00 H new ATOM 0 HA CYS A 31 -12.455 7.875 -11.371 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -14.114 6.152 -11.130 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -12.613 5.546 -10.458 1.00 0.00 H new ATOM 429 N ASN A 32 -13.977 9.073 -8.749 1.00 0.00 N ATOM 430 CA ASN A 32 -14.961 10.050 -8.295 1.00 0.00 C ATOM 431 C ASN A 32 -16.372 9.475 -8.372 1.00 0.00 C ATOM 432 O ASN A 32 -17.305 10.152 -8.804 1.00 0.00 O ATOM 433 CB ASN A 32 -14.871 11.324 -9.137 1.00 0.00 C ATOM 434 CG ASN A 32 -15.558 12.503 -8.476 1.00 0.00 C ATOM 435 OD1 ASN A 32 -15.458 12.695 -7.264 1.00 0.00 O ATOM 436 ND2 ASN A 32 -16.261 13.301 -9.272 1.00 0.00 N ATOM 0 H ASN A 32 -13.378 8.704 -8.011 1.00 0.00 H new ATOM 0 HA ASN A 32 -14.743 10.294 -7.255 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -13.823 11.568 -9.311 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -15.322 11.144 -10.113 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -16.745 14.111 -8.884 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -16.317 13.104 -10.271 1.00 0.00 H new ATOM 443 N GLN A 33 -16.519 8.224 -7.950 1.00 0.00 N ATOM 444 CA GLN A 33 -17.817 7.558 -7.971 1.00 0.00 C ATOM 445 C GLN A 33 -18.228 7.124 -6.568 1.00 0.00 C ATOM 446 O GLN A 33 -17.434 6.541 -5.829 1.00 0.00 O ATOM 447 CB GLN A 33 -17.777 6.346 -8.902 1.00 0.00 C ATOM 448 CG GLN A 33 -17.337 6.680 -10.318 1.00 0.00 C ATOM 449 CD GLN A 33 -17.128 5.445 -11.172 1.00 0.00 C ATOM 450 OE1 GLN A 33 -16.193 5.526 -12.111 1.00 0.00 O flip ATOM 451 NE2 GLN A 33 -17.799 4.429 -10.989 1.00 0.00 N flip ATOM 0 H GLN A 33 -15.756 7.651 -7.589 1.00 0.00 H new ATOM 0 HA GLN A 33 -18.556 8.268 -8.343 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -17.099 5.601 -8.486 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -18.767 5.892 -8.936 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -18.087 7.318 -10.786 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -16.410 7.252 -10.281 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -18.507 4.411 -10.255 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -17.646 3.605 -11.571 1.00 0.00 H new ATOM 460 N VAL A 34 -19.475 7.411 -6.206 1.00 0.00 N ATOM 461 CA VAL A 34 -19.993 7.050 -4.892 1.00 0.00 C ATOM 462 C VAL A 34 -19.724 5.582 -4.581 1.00 0.00 C ATOM 463 O VAL A 34 -20.098 4.695 -5.349 1.00 0.00 O ATOM 464 CB VAL A 34 -21.506 7.315 -4.793 1.00 0.00 C ATOM 465 CG1 VAL A 34 -22.235 6.703 -5.979 1.00 0.00 C ATOM 466 CG2 VAL A 34 -22.057 6.775 -3.482 1.00 0.00 C ATOM 0 H VAL A 34 -20.145 7.893 -6.805 1.00 0.00 H new ATOM 0 HA VAL A 34 -19.474 7.674 -4.164 1.00 0.00 H new ATOM 0 HB VAL A 34 -21.670 8.392 -4.813 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -23.303 6.901 -5.891 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -21.859 7.142 -6.903 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -22.066 5.626 -5.994 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -23.128 6.971 -3.429 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -21.882 5.700 -3.429 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -21.557 7.266 -2.647 1.00 0.00 H new ATOM 476 N ILE A 35 -19.073 5.333 -3.450 1.00 0.00 N ATOM 477 CA ILE A 35 -18.755 3.971 -3.036 1.00 0.00 C ATOM 478 C ILE A 35 -19.884 3.372 -2.204 1.00 0.00 C ATOM 479 O ILE A 35 -20.292 3.941 -1.191 1.00 0.00 O ATOM 480 CB ILE A 35 -17.450 3.921 -2.220 1.00 0.00 C ATOM 481 CG1 ILE A 35 -16.294 4.513 -3.029 1.00 0.00 C ATOM 482 CG2 ILE A 35 -17.137 2.490 -1.808 1.00 0.00 C ATOM 483 CD1 ILE A 35 -15.127 4.961 -2.177 1.00 0.00 C ATOM 0 H ILE A 35 -18.755 6.056 -2.804 1.00 0.00 H new ATOM 0 HA ILE A 35 -18.627 3.386 -3.947 1.00 0.00 H new ATOM 0 HB ILE A 35 -17.580 4.518 -1.317 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -15.945 3.770 -3.746 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -16.661 5.363 -3.604 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -16.212 2.471 -1.232 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -17.952 2.100 -1.198 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -17.023 1.872 -2.698 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -14.345 5.370 -2.817 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -15.460 5.727 -1.477 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -14.733 4.109 -1.622 1.00 0.00 H new ATOM 495 N ARG A 36 -20.384 2.220 -2.639 1.00 0.00 N ATOM 496 CA ARG A 36 -21.466 1.542 -1.934 1.00 0.00 C ATOM 497 C ARG A 36 -20.914 0.544 -0.921 1.00 0.00 C ATOM 498 O ARG A 36 -21.247 0.596 0.262 1.00 0.00 O ATOM 499 CB ARG A 36 -22.380 0.824 -2.929 1.00 0.00 C ATOM 500 CG ARG A 36 -23.157 1.766 -3.832 1.00 0.00 C ATOM 501 CD ARG A 36 -24.421 1.110 -4.367 1.00 0.00 C ATOM 502 NE ARG A 36 -24.153 0.283 -5.540 1.00 0.00 N ATOM 503 CZ ARG A 36 -24.093 0.761 -6.778 1.00 0.00 C ATOM 504 NH1 ARG A 36 -24.281 2.054 -7.003 1.00 0.00 N ATOM 505 NH2 ARG A 36 -23.845 -0.055 -7.795 1.00 0.00 N ATOM 0 H ARG A 36 -20.058 1.737 -3.476 1.00 0.00 H new ATOM 0 HA ARG A 36 -22.044 2.294 -1.398 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -21.778 0.157 -3.546 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -23.084 0.200 -2.378 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -23.420 2.668 -3.279 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -22.526 2.076 -4.665 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -24.870 0.497 -3.586 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -25.148 1.880 -4.625 1.00 0.00 H new ATOM 0 HE ARG A 36 -24.004 -0.716 -5.401 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -24.472 2.685 -6.224 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -24.234 2.418 -7.955 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -23.700 -1.051 -7.627 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -23.799 0.313 -8.745 1.00 0.00 H new ATOM 519 N GLY A 37 -20.067 -0.366 -1.395 1.00 0.00 N ATOM 520 CA GLY A 37 -19.483 -1.364 -0.518 1.00 0.00 C ATOM 521 C GLY A 37 -18.342 -0.809 0.312 1.00 0.00 C ATOM 522 O GLY A 37 -18.237 0.397 0.534 1.00 0.00 O ATOM 0 H GLY A 37 -19.775 -0.429 -2.370 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -20.254 -1.756 0.145 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -19.121 -2.201 -1.115 1.00 0.00 H new ATOM 526 N PRO A 38 -17.462 -1.704 0.787 1.00 0.00 N ATOM 527 CA PRO A 38 -16.308 -1.320 1.605 1.00 0.00 C ATOM 528 C PRO A 38 -15.255 -0.563 0.803 1.00 0.00 C ATOM 529 O PRO A 38 -14.927 -0.940 -0.322 1.00 0.00 O ATOM 530 CB PRO A 38 -15.752 -2.663 2.084 1.00 0.00 C ATOM 531 CG PRO A 38 -16.192 -3.645 1.054 1.00 0.00 C ATOM 532 CD PRO A 38 -17.526 -3.157 0.561 1.00 0.00 C ATOM 0 HA PRO A 38 -16.588 -0.645 2.414 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -14.665 -2.635 2.165 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -16.139 -2.923 3.069 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -15.472 -3.704 0.238 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -16.275 -4.645 1.479 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -17.676 -3.394 -0.492 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -18.349 -3.613 1.111 1.00 0.00 H new ATOM 540 N PHE A 39 -14.727 0.506 1.390 1.00 0.00 N ATOM 541 CA PHE A 39 -13.710 1.317 0.730 1.00 0.00 C ATOM 542 C PHE A 39 -12.475 1.466 1.613 1.00 0.00 C ATOM 543 O PHE A 39 -12.427 0.942 2.727 1.00 0.00 O ATOM 544 CB PHE A 39 -14.274 2.697 0.385 1.00 0.00 C ATOM 545 CG PHE A 39 -14.632 3.517 1.591 1.00 0.00 C ATOM 546 CD1 PHE A 39 -13.646 4.138 2.341 1.00 0.00 C ATOM 547 CD2 PHE A 39 -15.954 3.667 1.975 1.00 0.00 C ATOM 548 CE1 PHE A 39 -13.972 4.894 3.451 1.00 0.00 C ATOM 549 CE2 PHE A 39 -16.287 4.422 3.084 1.00 0.00 C ATOM 550 CZ PHE A 39 -15.294 5.035 3.824 1.00 0.00 C ATOM 0 H PHE A 39 -14.986 0.831 2.321 1.00 0.00 H new ATOM 0 HA PHE A 39 -13.418 0.811 -0.190 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -13.541 3.242 -0.210 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -15.161 2.573 -0.237 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -12.610 4.030 2.055 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -16.734 3.189 1.401 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -13.194 5.374 4.026 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -17.322 4.533 3.372 1.00 0.00 H new ATOM 0 HZ PHE A 39 -15.551 5.623 4.692 1.00 0.00 H new ATOM 560 N LEU A 40 -11.477 2.182 1.108 1.00 0.00 N ATOM 561 CA LEU A 40 -10.240 2.401 1.850 1.00 0.00 C ATOM 562 C LEU A 40 -9.984 3.890 2.056 1.00 0.00 C ATOM 563 O LEU A 40 -9.868 4.650 1.094 1.00 0.00 O ATOM 564 CB LEU A 40 -9.061 1.767 1.110 1.00 0.00 C ATOM 565 CG LEU A 40 -9.354 0.459 0.374 1.00 0.00 C ATOM 566 CD1 LEU A 40 -8.291 0.189 -0.679 1.00 0.00 C ATOM 567 CD2 LEU A 40 -9.441 -0.699 1.357 1.00 0.00 C ATOM 0 H LEU A 40 -11.500 2.621 0.188 1.00 0.00 H new ATOM 0 HA LEU A 40 -10.344 1.931 2.828 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.681 2.489 0.388 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.262 1.585 1.829 1.00 0.00 H new ATOM 0 HG LEU A 40 -10.317 0.555 -0.128 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -8.516 -0.746 -1.192 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.278 1.005 -1.401 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.315 0.114 -0.200 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -9.650 -1.621 0.815 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.494 -0.797 1.888 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -10.241 -0.509 2.073 1.00 0.00 H new ATOM 579 N VAL A 41 -9.896 4.301 3.317 1.00 0.00 N ATOM 580 CA VAL A 41 -9.651 5.699 3.650 1.00 0.00 C ATOM 581 C VAL A 41 -8.173 5.946 3.933 1.00 0.00 C ATOM 582 O VAL A 41 -7.615 5.408 4.889 1.00 0.00 O ATOM 583 CB VAL A 41 -10.476 6.138 4.874 1.00 0.00 C ATOM 584 CG1 VAL A 41 -10.489 5.043 5.930 1.00 0.00 C ATOM 585 CG2 VAL A 41 -9.930 7.437 5.447 1.00 0.00 C ATOM 0 H VAL A 41 -9.991 3.685 4.125 1.00 0.00 H new ATOM 0 HA VAL A 41 -9.956 6.288 2.785 1.00 0.00 H new ATOM 0 HB VAL A 41 -11.503 6.313 4.554 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -11.077 5.371 6.787 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -10.932 4.139 5.511 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -9.468 4.833 6.249 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -10.525 7.732 6.311 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -8.894 7.293 5.752 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -9.979 8.218 4.689 1.00 0.00 H new ATOM 595 N ALA A 42 -7.544 6.763 3.095 1.00 0.00 N ATOM 596 CA ALA A 42 -6.131 7.083 3.256 1.00 0.00 C ATOM 597 C ALA A 42 -5.813 8.464 2.692 1.00 0.00 C ATOM 598 O ALA A 42 -6.520 8.966 1.817 1.00 0.00 O ATOM 599 CB ALA A 42 -5.270 6.025 2.582 1.00 0.00 C ATOM 0 H ALA A 42 -7.991 7.216 2.297 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.906 7.094 4.322 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -4.217 6.277 2.710 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.468 5.053 3.033 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.507 5.986 1.519 1.00 0.00 H new ATOM 605 N LEU A 43 -4.747 9.073 3.198 1.00 0.00 N ATOM 606 CA LEU A 43 -4.336 10.398 2.744 1.00 0.00 C ATOM 607 C LEU A 43 -5.507 11.374 2.780 1.00 0.00 C ATOM 608 O LEU A 43 -5.670 12.197 1.881 1.00 0.00 O ATOM 609 CB LEU A 43 -3.766 10.319 1.327 1.00 0.00 C ATOM 610 CG LEU A 43 -2.317 9.844 1.212 1.00 0.00 C ATOM 611 CD1 LEU A 43 -1.400 10.720 2.051 1.00 0.00 C ATOM 612 CD2 LEU A 43 -2.198 8.387 1.632 1.00 0.00 C ATOM 0 H LEU A 43 -4.151 8.672 3.922 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.563 10.763 3.420 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -4.395 9.649 0.741 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.841 11.306 0.871 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.010 9.926 0.169 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.373 10.367 1.957 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.463 11.751 1.703 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.706 10.671 3.096 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.160 8.066 1.544 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -2.524 8.279 2.666 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -2.824 7.770 0.987 1.00 0.00 H new ATOM 624 N GLY A 44 -6.320 11.276 3.828 1.00 0.00 N ATOM 625 CA GLY A 44 -7.465 12.158 3.962 1.00 0.00 C ATOM 626 C GLY A 44 -8.414 12.061 2.784 1.00 0.00 C ATOM 627 O GLY A 44 -8.963 13.067 2.335 1.00 0.00 O ATOM 0 H GLY A 44 -6.206 10.602 4.586 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -8.002 11.914 4.878 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -7.118 13.186 4.061 1.00 0.00 H new ATOM 631 N LYS A 45 -8.605 10.847 2.279 1.00 0.00 N ATOM 632 CA LYS A 45 -9.493 10.621 1.145 1.00 0.00 C ATOM 633 C LYS A 45 -9.909 9.155 1.064 1.00 0.00 C ATOM 634 O LYS A 45 -9.295 8.290 1.688 1.00 0.00 O ATOM 635 CB LYS A 45 -8.808 11.040 -0.157 1.00 0.00 C ATOM 636 CG LYS A 45 -9.049 12.493 -0.530 1.00 0.00 C ATOM 637 CD LYS A 45 -8.763 12.745 -2.001 1.00 0.00 C ATOM 638 CE LYS A 45 -7.292 13.054 -2.238 1.00 0.00 C ATOM 639 NZ LYS A 45 -7.042 13.525 -3.628 1.00 0.00 N ATOM 0 H LYS A 45 -8.156 10.004 2.637 1.00 0.00 H new ATOM 0 HA LYS A 45 -10.387 11.227 1.289 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -7.735 10.870 -0.064 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -9.163 10.402 -0.966 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -10.082 12.760 -0.308 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -8.415 13.136 0.080 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -9.051 11.870 -2.584 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -9.372 13.577 -2.354 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -6.962 13.816 -1.531 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -6.697 12.161 -2.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -6.029 13.725 -3.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -7.333 12.788 -4.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -7.590 14.391 -3.805 1.00 0.00 H new ATOM 653 N SER A 46 -10.955 8.884 0.290 1.00 0.00 N ATOM 654 CA SER A 46 -11.454 7.523 0.129 1.00 0.00 C ATOM 655 C SER A 46 -11.111 6.979 -1.255 1.00 0.00 C ATOM 656 O SER A 46 -11.249 7.676 -2.260 1.00 0.00 O ATOM 657 CB SER A 46 -12.969 7.484 0.343 1.00 0.00 C ATOM 658 OG SER A 46 -13.656 8.003 -0.783 1.00 0.00 O ATOM 0 H SER A 46 -11.473 9.588 -0.235 1.00 0.00 H new ATOM 0 HA SER A 46 -10.972 6.895 0.878 1.00 0.00 H new ATOM 0 HB2 SER A 46 -13.287 6.458 0.526 1.00 0.00 H new ATOM 0 HB3 SER A 46 -13.229 8.062 1.230 1.00 0.00 H new ATOM 0 HG SER A 46 -13.926 8.928 -0.604 1.00 0.00 H new ATOM 664 N TRP A 47 -10.663 5.729 -1.297 1.00 0.00 N ATOM 665 CA TRP A 47 -10.299 5.090 -2.556 1.00 0.00 C ATOM 666 C TRP A 47 -10.975 3.730 -2.692 1.00 0.00 C ATOM 667 O TRP A 47 -11.494 3.184 -1.717 1.00 0.00 O ATOM 668 CB TRP A 47 -8.781 4.930 -2.650 1.00 0.00 C ATOM 669 CG TRP A 47 -8.024 6.092 -2.081 1.00 0.00 C ATOM 670 CD1 TRP A 47 -7.913 6.430 -0.762 1.00 0.00 C ATOM 671 CD2 TRP A 47 -7.276 7.069 -2.813 1.00 0.00 C ATOM 672 NE1 TRP A 47 -7.140 7.559 -0.631 1.00 0.00 N ATOM 673 CE2 TRP A 47 -6.737 7.970 -1.874 1.00 0.00 C ATOM 674 CE3 TRP A 47 -7.008 7.270 -4.169 1.00 0.00 C ATOM 675 CZ2 TRP A 47 -5.948 9.054 -2.250 1.00 0.00 C ATOM 676 CZ3 TRP A 47 -6.225 8.346 -4.541 1.00 0.00 C ATOM 677 CH2 TRP A 47 -5.701 9.226 -3.585 1.00 0.00 C ATOM 0 H TRP A 47 -10.543 5.138 -0.474 1.00 0.00 H new ATOM 0 HA TRP A 47 -10.641 5.728 -3.371 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -8.486 4.021 -2.125 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -8.501 4.800 -3.695 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -8.366 5.890 0.057 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -6.905 8.017 0.250 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -7.406 6.596 -4.914 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -5.545 9.735 -1.514 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -6.013 8.512 -5.587 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -5.090 10.056 -3.908 1.00 0.00 H new ATOM 688 N HIS A 48 -10.966 3.188 -3.905 1.00 0.00 N ATOM 689 CA HIS A 48 -11.579 1.891 -4.168 1.00 0.00 C ATOM 690 C HIS A 48 -10.581 0.761 -3.930 1.00 0.00 C ATOM 691 O HIS A 48 -9.401 0.862 -4.266 1.00 0.00 O ATOM 692 CB HIS A 48 -12.103 1.831 -5.603 1.00 0.00 C ATOM 693 CG HIS A 48 -13.522 2.288 -5.742 1.00 0.00 C ATOM 694 ND1 HIS A 48 -13.886 3.405 -6.464 1.00 0.00 N ATOM 695 CD2 HIS A 48 -14.671 1.771 -5.247 1.00 0.00 C ATOM 696 CE1 HIS A 48 -15.197 3.556 -6.406 1.00 0.00 C ATOM 697 NE2 HIS A 48 -15.698 2.577 -5.674 1.00 0.00 N ATOM 0 H HIS A 48 -10.541 3.627 -4.722 1.00 0.00 H new ATOM 0 HA HIS A 48 -12.415 1.766 -3.480 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -11.468 2.447 -6.239 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -12.022 0.807 -5.968 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -14.763 0.889 -4.631 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -15.763 4.346 -6.877 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -16.686 2.442 -5.461 1.00 0.00 H new ATOM 705 N PRO A 49 -11.064 -0.341 -3.338 1.00 0.00 N ATOM 706 CA PRO A 49 -10.231 -1.510 -3.042 1.00 0.00 C ATOM 707 C PRO A 49 -9.809 -2.255 -4.304 1.00 0.00 C ATOM 708 O PRO A 49 -9.050 -3.222 -4.240 1.00 0.00 O ATOM 709 CB PRO A 49 -11.144 -2.388 -2.183 1.00 0.00 C ATOM 710 CG PRO A 49 -12.527 -1.995 -2.575 1.00 0.00 C ATOM 711 CD PRO A 49 -12.460 -0.530 -2.910 1.00 0.00 C ATOM 0 HA PRO A 49 -9.299 -1.232 -2.550 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -10.965 -3.447 -2.370 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -10.971 -2.219 -1.120 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -12.870 -2.576 -3.431 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -13.230 -2.178 -1.763 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -13.162 -0.266 -3.701 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -12.703 0.091 -2.048 1.00 0.00 H new ATOM 719 N GLU A 50 -10.306 -1.798 -5.449 1.00 0.00 N ATOM 720 CA GLU A 50 -9.979 -2.423 -6.726 1.00 0.00 C ATOM 721 C GLU A 50 -9.024 -1.548 -7.532 1.00 0.00 C ATOM 722 O GLU A 50 -8.161 -2.051 -8.250 1.00 0.00 O ATOM 723 CB GLU A 50 -11.253 -2.683 -7.532 1.00 0.00 C ATOM 724 CG GLU A 50 -11.882 -1.422 -8.101 1.00 0.00 C ATOM 725 CD GLU A 50 -13.173 -1.699 -8.845 1.00 0.00 C ATOM 726 OE1 GLU A 50 -14.140 -2.163 -8.204 1.00 0.00 O ATOM 727 OE2 GLU A 50 -13.218 -1.452 -10.069 1.00 0.00 O ATOM 0 H GLU A 50 -10.936 -0.999 -5.519 1.00 0.00 H new ATOM 0 HA GLU A 50 -9.487 -3.374 -6.521 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -11.022 -3.365 -8.351 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -11.980 -3.185 -6.894 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -12.078 -0.720 -7.290 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -11.174 -0.940 -8.776 1.00 0.00 H new ATOM 734 N GLU A 51 -9.186 -0.234 -7.406 1.00 0.00 N ATOM 735 CA GLU A 51 -8.339 0.712 -8.124 1.00 0.00 C ATOM 736 C GLU A 51 -7.046 0.973 -7.358 1.00 0.00 C ATOM 737 O GLU A 51 -5.963 1.022 -7.943 1.00 0.00 O ATOM 738 CB GLU A 51 -9.086 2.028 -8.351 1.00 0.00 C ATOM 739 CG GLU A 51 -9.037 2.969 -7.159 1.00 0.00 C ATOM 740 CD GLU A 51 -10.022 4.115 -7.281 1.00 0.00 C ATOM 741 OE1 GLU A 51 -10.958 4.008 -8.102 1.00 0.00 O ATOM 742 OE2 GLU A 51 -9.858 5.119 -6.557 1.00 0.00 O ATOM 0 H GLU A 51 -9.895 0.199 -6.814 1.00 0.00 H new ATOM 0 HA GLU A 51 -8.086 0.275 -9.090 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -8.661 2.532 -9.219 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -10.127 1.809 -8.588 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -9.249 2.408 -6.249 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -8.029 3.370 -7.059 1.00 0.00 H new ATOM 749 N PHE A 52 -7.166 1.143 -6.045 1.00 0.00 N ATOM 750 CA PHE A 52 -6.008 1.401 -5.198 1.00 0.00 C ATOM 751 C PHE A 52 -4.874 0.431 -5.517 1.00 0.00 C ATOM 752 O PHE A 52 -4.812 -0.669 -4.970 1.00 0.00 O ATOM 753 CB PHE A 52 -6.393 1.286 -3.722 1.00 0.00 C ATOM 754 CG PHE A 52 -5.462 2.022 -2.801 1.00 0.00 C ATOM 755 CD1 PHE A 52 -5.115 3.340 -3.052 1.00 0.00 C ATOM 756 CD2 PHE A 52 -4.935 1.396 -1.683 1.00 0.00 C ATOM 757 CE1 PHE A 52 -4.259 4.019 -2.207 1.00 0.00 C ATOM 758 CE2 PHE A 52 -4.078 2.070 -0.833 1.00 0.00 C ATOM 759 CZ PHE A 52 -3.740 3.384 -1.095 1.00 0.00 C ATOM 0 H PHE A 52 -8.054 1.107 -5.545 1.00 0.00 H new ATOM 0 HA PHE A 52 -5.662 2.415 -5.398 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -7.404 1.671 -3.587 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -6.413 0.233 -3.441 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -5.519 3.842 -3.919 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -5.197 0.369 -1.473 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -3.996 5.045 -2.415 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -3.673 1.570 0.035 1.00 0.00 H new ATOM 0 HZ PHE A 52 -3.072 3.913 -0.432 1.00 0.00 H new ATOM 769 N ASN A 53 -3.978 0.848 -6.406 1.00 0.00 N ATOM 770 CA ASN A 53 -2.847 0.017 -6.799 1.00 0.00 C ATOM 771 C ASN A 53 -1.538 0.794 -6.693 1.00 0.00 C ATOM 772 O ASN A 53 -1.479 1.980 -7.019 1.00 0.00 O ATOM 773 CB ASN A 53 -3.035 -0.494 -8.229 1.00 0.00 C ATOM 774 CG ASN A 53 -3.542 0.584 -9.167 1.00 0.00 C ATOM 775 OD1 ASN A 53 -4.470 0.218 -10.043 1.00 0.00 O flip ATOM 776 ND2 ASN A 53 -3.104 1.733 -9.104 1.00 0.00 N flip ATOM 0 H ASN A 53 -4.014 1.757 -6.868 1.00 0.00 H new ATOM 0 HA ASN A 53 -2.800 -0.834 -6.119 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -2.086 -0.879 -8.602 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -3.737 -1.327 -8.225 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -2.391 1.970 -8.415 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -3.455 2.448 -9.741 1.00 0.00 H new ATOM 783 N CYS A 54 -0.490 0.117 -6.236 1.00 0.00 N ATOM 784 CA CYS A 54 0.819 0.741 -6.087 1.00 0.00 C ATOM 785 C CYS A 54 1.169 1.572 -7.318 1.00 0.00 C ATOM 786 O CYS A 54 0.532 1.448 -8.364 1.00 0.00 O ATOM 787 CB CYS A 54 1.892 -0.324 -5.854 1.00 0.00 C ATOM 788 SG CYS A 54 3.503 0.346 -5.330 1.00 0.00 S ATOM 0 H CYS A 54 -0.522 -0.865 -5.962 1.00 0.00 H new ATOM 0 HA CYS A 54 0.781 1.404 -5.222 1.00 0.00 H new ATOM 0 HB2 CYS A 54 1.537 -1.022 -5.096 1.00 0.00 H new ATOM 0 HB3 CYS A 54 2.029 -0.894 -6.773 1.00 0.00 H new ATOM 793 N ALA A 55 2.186 2.417 -7.185 1.00 0.00 N ATOM 794 CA ALA A 55 2.623 3.266 -8.287 1.00 0.00 C ATOM 795 C ALA A 55 3.733 2.596 -9.089 1.00 0.00 C ATOM 796 O ALA A 55 4.023 2.993 -10.218 1.00 0.00 O ATOM 797 CB ALA A 55 3.089 4.615 -7.761 1.00 0.00 C ATOM 0 H ALA A 55 2.723 2.532 -6.325 1.00 0.00 H new ATOM 0 HA ALA A 55 1.774 3.422 -8.952 1.00 0.00 H new ATOM 0 HB1 ALA A 55 3.412 5.239 -8.594 1.00 0.00 H new ATOM 0 HB2 ALA A 55 2.268 5.105 -7.238 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.921 4.469 -7.073 1.00 0.00 H new ATOM 803 N HIS A 56 4.352 1.578 -8.499 1.00 0.00 N ATOM 804 CA HIS A 56 5.431 0.853 -9.160 1.00 0.00 C ATOM 805 C HIS A 56 4.976 -0.545 -9.569 1.00 0.00 C ATOM 806 O HIS A 56 4.890 -0.859 -10.756 1.00 0.00 O ATOM 807 CB HIS A 56 6.648 0.757 -8.239 1.00 0.00 C ATOM 808 CG HIS A 56 7.720 -0.152 -8.756 1.00 0.00 C ATOM 809 ND1 HIS A 56 8.701 0.263 -9.632 1.00 0.00 N ATOM 810 CD2 HIS A 56 7.963 -1.462 -8.515 1.00 0.00 C ATOM 811 CE1 HIS A 56 9.500 -0.752 -9.909 1.00 0.00 C ATOM 812 NE2 HIS A 56 9.074 -1.810 -9.243 1.00 0.00 N ATOM 0 H HIS A 56 4.125 1.237 -7.565 1.00 0.00 H new ATOM 0 HA HIS A 56 5.708 1.403 -10.059 1.00 0.00 H new ATOM 0 HB2 HIS A 56 7.066 1.754 -8.097 1.00 0.00 H new ATOM 0 HB3 HIS A 56 6.325 0.404 -7.259 1.00 0.00 H new ATOM 0 HD2 HIS A 56 7.390 -2.112 -7.870 1.00 0.00 H new ATOM 0 HE1 HIS A 56 10.355 -0.722 -10.568 1.00 0.00 H new ATOM 0 HE2 HIS A 56 9.501 -2.736 -9.266 1.00 0.00 H new ATOM 821 N CYS A 57 4.686 -1.381 -8.577 1.00 0.00 N ATOM 822 CA CYS A 57 4.241 -2.746 -8.833 1.00 0.00 C ATOM 823 C CYS A 57 2.787 -2.766 -9.298 1.00 0.00 C ATOM 824 O CYS A 57 2.317 -3.755 -9.861 1.00 0.00 O ATOM 825 CB CYS A 57 4.396 -3.599 -7.572 1.00 0.00 C ATOM 826 SG CYS A 57 3.410 -3.019 -6.155 1.00 0.00 S ATOM 0 H CYS A 57 4.751 -1.137 -7.589 1.00 0.00 H new ATOM 0 HA CYS A 57 4.863 -3.163 -9.625 1.00 0.00 H new ATOM 0 HB2 CYS A 57 4.111 -4.625 -7.803 1.00 0.00 H new ATOM 0 HB3 CYS A 57 5.448 -3.617 -7.286 1.00 0.00 H new ATOM 831 N LYS A 58 2.080 -1.667 -9.058 1.00 0.00 N ATOM 832 CA LYS A 58 0.681 -1.556 -9.453 1.00 0.00 C ATOM 833 C LYS A 58 -0.143 -2.696 -8.862 1.00 0.00 C ATOM 834 O LYS A 58 -0.876 -3.378 -9.577 1.00 0.00 O ATOM 835 CB LYS A 58 0.558 -1.560 -10.978 1.00 0.00 C ATOM 836 CG LYS A 58 1.337 -0.445 -11.654 1.00 0.00 C ATOM 837 CD LYS A 58 0.544 0.851 -11.683 1.00 0.00 C ATOM 838 CE LYS A 58 -0.501 0.841 -12.788 1.00 0.00 C ATOM 839 NZ LYS A 58 0.109 1.056 -14.130 1.00 0.00 N ATOM 0 H LYS A 58 2.453 -0.840 -8.592 1.00 0.00 H new ATOM 0 HA LYS A 58 0.294 -0.613 -9.067 1.00 0.00 H new ATOM 0 HB2 LYS A 58 0.908 -2.519 -11.360 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -0.494 -1.473 -11.250 1.00 0.00 H new ATOM 0 HG2 LYS A 58 2.277 -0.285 -11.127 1.00 0.00 H new ATOM 0 HG3 LYS A 58 1.589 -0.741 -12.672 1.00 0.00 H new ATOM 0 HD2 LYS A 58 0.055 1.001 -10.720 1.00 0.00 H new ATOM 0 HD3 LYS A 58 1.223 1.691 -11.831 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -1.031 -0.112 -12.778 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -1.240 1.619 -12.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -0.643 1.144 -14.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 0.678 1.927 -14.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 0.719 0.248 -14.368 1.00 0.00 H new ATOM 853 N ASN A 59 -0.018 -2.894 -7.554 1.00 0.00 N ATOM 854 CA ASN A 59 -0.752 -3.951 -6.868 1.00 0.00 C ATOM 855 C ASN A 59 -1.618 -3.376 -5.752 1.00 0.00 C ATOM 856 O ASN A 59 -1.347 -2.291 -5.236 1.00 0.00 O ATOM 857 CB ASN A 59 0.218 -4.986 -6.294 1.00 0.00 C ATOM 858 CG ASN A 59 0.595 -6.049 -7.307 1.00 0.00 C ATOM 859 OD1 ASN A 59 1.692 -5.824 -8.021 1.00 0.00 O flip ATOM 860 ND2 ASN A 59 -0.092 -7.061 -7.446 1.00 0.00 N flip ATOM 0 H ASN A 59 0.584 -2.337 -6.948 1.00 0.00 H new ATOM 0 HA ASN A 59 -1.403 -4.437 -7.595 1.00 0.00 H new ATOM 0 HB2 ASN A 59 1.120 -4.482 -5.948 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -0.235 -5.461 -5.424 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -0.927 -7.193 -6.876 1.00 0.00 H new ATOM 0 HD22 ASN A 59 0.174 -7.768 -8.132 1.00 0.00 H new ATOM 867 N THR A 60 -2.663 -4.110 -5.382 1.00 0.00 N ATOM 868 CA THR A 60 -3.570 -3.673 -4.328 1.00 0.00 C ATOM 869 C THR A 60 -2.834 -3.513 -3.002 1.00 0.00 C ATOM 870 O THR A 60 -2.172 -4.438 -2.534 1.00 0.00 O ATOM 871 CB THR A 60 -4.733 -4.666 -4.140 1.00 0.00 C ATOM 872 OG1 THR A 60 -5.581 -4.230 -3.072 1.00 0.00 O ATOM 873 CG2 THR A 60 -4.209 -6.062 -3.842 1.00 0.00 C ATOM 0 H THR A 60 -2.902 -5.010 -5.797 1.00 0.00 H new ATOM 0 HA THR A 60 -3.972 -2.708 -4.637 1.00 0.00 H new ATOM 0 HB THR A 60 -5.306 -4.701 -5.067 1.00 0.00 H new ATOM 0 HG1 THR A 60 -6.319 -4.865 -2.960 1.00 0.00 H new ATOM 0 HG21 THR A 60 -5.048 -6.746 -3.713 1.00 0.00 H new ATOM 0 HG22 THR A 60 -3.588 -6.402 -4.671 1.00 0.00 H new ATOM 0 HG23 THR A 60 -3.615 -6.040 -2.928 1.00 0.00 H new ATOM 881 N MET A 61 -2.957 -2.334 -2.402 1.00 0.00 N ATOM 882 CA MET A 61 -2.304 -2.054 -1.128 1.00 0.00 C ATOM 883 C MET A 61 -3.322 -2.020 0.008 1.00 0.00 C ATOM 884 O MET A 61 -3.303 -1.117 0.844 1.00 0.00 O ATOM 885 CB MET A 61 -1.554 -0.722 -1.196 1.00 0.00 C ATOM 886 CG MET A 61 -0.815 -0.507 -2.507 1.00 0.00 C ATOM 887 SD MET A 61 -1.796 0.402 -3.717 1.00 0.00 S ATOM 888 CE MET A 61 -1.304 2.086 -3.354 1.00 0.00 C ATOM 0 H MET A 61 -3.502 -1.558 -2.777 1.00 0.00 H new ATOM 0 HA MET A 61 -1.591 -2.854 -0.930 1.00 0.00 H new ATOM 0 HB2 MET A 61 -2.263 0.093 -1.050 1.00 0.00 H new ATOM 0 HB3 MET A 61 -0.840 -0.674 -0.374 1.00 0.00 H new ATOM 0 HG2 MET A 61 0.110 0.036 -2.313 1.00 0.00 H new ATOM 0 HG3 MET A 61 -0.535 -1.474 -2.925 1.00 0.00 H new ATOM 0 HE1 MET A 61 -1.879 2.775 -3.973 1.00 0.00 H new ATOM 0 HE2 MET A 61 -1.491 2.301 -2.302 1.00 0.00 H new ATOM 0 HE3 MET A 61 -0.242 2.208 -3.566 1.00 0.00 H new ATOM 898 N ALA A 62 -4.209 -3.009 0.031 1.00 0.00 N ATOM 899 CA ALA A 62 -5.233 -3.093 1.066 1.00 0.00 C ATOM 900 C ALA A 62 -4.679 -3.729 2.336 1.00 0.00 C ATOM 901 O ALA A 62 -4.794 -3.165 3.425 1.00 0.00 O ATOM 902 CB ALA A 62 -6.432 -3.880 0.559 1.00 0.00 C ATOM 0 H ALA A 62 -4.240 -3.763 -0.655 1.00 0.00 H new ATOM 0 HA ALA A 62 -5.553 -2.080 1.309 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -7.189 -3.935 1.342 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -6.850 -3.382 -0.316 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -6.117 -4.888 0.287 1.00 0.00 H new ATOM 908 N TYR A 63 -4.079 -4.905 2.190 1.00 0.00 N ATOM 909 CA TYR A 63 -3.510 -5.619 3.327 1.00 0.00 C ATOM 910 C TYR A 63 -2.004 -5.389 3.416 1.00 0.00 C ATOM 911 O TYR A 63 -1.236 -6.322 3.653 1.00 0.00 O ATOM 912 CB TYR A 63 -3.803 -7.116 3.215 1.00 0.00 C ATOM 913 CG TYR A 63 -5.205 -7.424 2.739 1.00 0.00 C ATOM 914 CD1 TYR A 63 -5.505 -7.475 1.384 1.00 0.00 C ATOM 915 CD2 TYR A 63 -6.230 -7.665 3.646 1.00 0.00 C ATOM 916 CE1 TYR A 63 -6.784 -7.756 0.945 1.00 0.00 C ATOM 917 CE2 TYR A 63 -7.512 -7.948 3.217 1.00 0.00 C ATOM 918 CZ TYR A 63 -7.784 -7.992 1.865 1.00 0.00 C ATOM 919 OH TYR A 63 -9.060 -8.273 1.432 1.00 0.00 O ATOM 0 H TYR A 63 -3.974 -5.384 1.296 1.00 0.00 H new ATOM 0 HA TYR A 63 -3.973 -5.232 4.235 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -3.087 -7.567 2.528 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -3.648 -7.582 4.188 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -4.724 -7.292 0.661 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -6.020 -7.630 4.705 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -7.000 -7.791 -0.113 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -8.297 -8.134 3.935 1.00 0.00 H new ATOM 0 HH TYR A 63 -9.644 -8.415 2.206 1.00 0.00 H new ATOM 929 N ILE A 64 -1.590 -4.141 3.226 1.00 0.00 N ATOM 930 CA ILE A 64 -0.177 -3.788 3.286 1.00 0.00 C ATOM 931 C ILE A 64 0.006 -2.291 3.510 1.00 0.00 C ATOM 932 O ILE A 64 -0.967 -1.546 3.622 1.00 0.00 O ATOM 933 CB ILE A 64 0.561 -4.197 1.998 1.00 0.00 C ATOM 934 CG1 ILE A 64 -0.124 -3.584 0.775 1.00 0.00 C ATOM 935 CG2 ILE A 64 0.615 -5.713 1.878 1.00 0.00 C ATOM 936 CD1 ILE A 64 0.825 -3.297 -0.368 1.00 0.00 C ATOM 0 H ILE A 64 -2.213 -3.357 3.029 1.00 0.00 H new ATOM 0 HA ILE A 64 0.249 -4.334 4.128 1.00 0.00 H new ATOM 0 HB ILE A 64 1.582 -3.819 2.046 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -0.904 -4.262 0.428 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -0.615 -2.657 1.070 1.00 0.00 H new ATOM 0 HG21 ILE A 64 1.140 -5.987 0.963 1.00 0.00 H new ATOM 0 HG22 ILE A 64 1.143 -6.127 2.737 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -0.399 -6.112 1.848 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.271 -2.864 -1.201 1.00 0.00 H new ATOM 0 HD12 ILE A 64 1.591 -2.595 -0.038 1.00 0.00 H new ATOM 0 HD13 ILE A 64 1.298 -4.225 -0.690 1.00 0.00 H new ATOM 948 N GLY A 65 1.261 -1.856 3.572 1.00 0.00 N ATOM 949 CA GLY A 65 1.549 -0.449 3.780 1.00 0.00 C ATOM 950 C GLY A 65 1.779 0.294 2.479 1.00 0.00 C ATOM 951 O GLY A 65 1.678 -0.286 1.398 1.00 0.00 O ATOM 0 H GLY A 65 2.083 -2.453 3.482 1.00 0.00 H new ATOM 0 HA2 GLY A 65 0.720 0.013 4.317 1.00 0.00 H new ATOM 0 HA3 GLY A 65 2.432 -0.352 4.412 1.00 0.00 H new ATOM 955 N PHE A 66 2.089 1.582 2.582 1.00 0.00 N ATOM 956 CA PHE A 66 2.331 2.407 1.404 1.00 0.00 C ATOM 957 C PHE A 66 2.948 3.747 1.796 1.00 0.00 C ATOM 958 O PHE A 66 2.802 4.202 2.930 1.00 0.00 O ATOM 959 CB PHE A 66 1.026 2.637 0.640 1.00 0.00 C ATOM 960 CG PHE A 66 -0.004 3.395 1.427 1.00 0.00 C ATOM 961 CD1 PHE A 66 0.163 4.744 1.695 1.00 0.00 C ATOM 962 CD2 PHE A 66 -1.141 2.758 1.899 1.00 0.00 C ATOM 963 CE1 PHE A 66 -0.783 5.443 2.420 1.00 0.00 C ATOM 964 CE2 PHE A 66 -2.091 3.453 2.624 1.00 0.00 C ATOM 965 CZ PHE A 66 -1.912 4.797 2.884 1.00 0.00 C ATOM 0 H PHE A 66 2.179 2.077 3.469 1.00 0.00 H new ATOM 0 HA PHE A 66 3.033 1.879 0.759 1.00 0.00 H new ATOM 0 HB2 PHE A 66 1.243 3.182 -0.278 1.00 0.00 H new ATOM 0 HB3 PHE A 66 0.611 1.673 0.348 1.00 0.00 H new ATOM 0 HD1 PHE A 66 1.043 5.255 1.333 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -1.286 1.707 1.698 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -0.640 6.494 2.624 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -2.972 2.945 2.987 1.00 0.00 H new ATOM 0 HZ PHE A 66 -2.653 5.342 3.449 1.00 0.00 H new ATOM 975 N VAL A 67 3.638 4.373 0.848 1.00 0.00 N ATOM 976 CA VAL A 67 4.276 5.661 1.092 1.00 0.00 C ATOM 977 C VAL A 67 3.989 6.641 -0.040 1.00 0.00 C ATOM 978 O VAL A 67 4.181 6.322 -1.213 1.00 0.00 O ATOM 979 CB VAL A 67 5.801 5.510 1.251 1.00 0.00 C ATOM 980 CG1 VAL A 67 6.455 6.869 1.445 1.00 0.00 C ATOM 981 CG2 VAL A 67 6.126 4.582 2.411 1.00 0.00 C ATOM 0 H VAL A 67 3.769 4.009 -0.096 1.00 0.00 H new ATOM 0 HA VAL A 67 3.857 6.051 2.020 1.00 0.00 H new ATOM 0 HB VAL A 67 6.202 5.068 0.339 1.00 0.00 H new ATOM 0 HG11 VAL A 67 7.532 6.742 1.556 1.00 0.00 H new ATOM 0 HG12 VAL A 67 6.251 7.498 0.579 1.00 0.00 H new ATOM 0 HG13 VAL A 67 6.052 7.342 2.340 1.00 0.00 H new ATOM 0 HG21 VAL A 67 7.207 4.487 2.509 1.00 0.00 H new ATOM 0 HG22 VAL A 67 5.713 4.993 3.332 1.00 0.00 H new ATOM 0 HG23 VAL A 67 5.691 3.600 2.224 1.00 0.00 H new ATOM 991 N GLU A 68 3.527 7.834 0.320 1.00 0.00 N ATOM 992 CA GLU A 68 3.213 8.861 -0.666 1.00 0.00 C ATOM 993 C GLU A 68 4.447 9.697 -0.993 1.00 0.00 C ATOM 994 O GLU A 68 5.173 10.126 -0.097 1.00 0.00 O ATOM 995 CB GLU A 68 2.091 9.766 -0.154 1.00 0.00 C ATOM 996 CG GLU A 68 1.917 11.039 -0.965 1.00 0.00 C ATOM 997 CD GLU A 68 0.739 11.872 -0.498 1.00 0.00 C ATOM 998 OE1 GLU A 68 -0.351 11.298 -0.294 1.00 0.00 O ATOM 999 OE2 GLU A 68 0.908 13.099 -0.336 1.00 0.00 O ATOM 0 H GLU A 68 3.362 8.113 1.287 1.00 0.00 H new ATOM 0 HA GLU A 68 2.881 8.363 -1.577 1.00 0.00 H new ATOM 0 HB2 GLU A 68 1.154 9.209 -0.163 1.00 0.00 H new ATOM 0 HB3 GLU A 68 2.295 10.031 0.883 1.00 0.00 H new ATOM 0 HG2 GLU A 68 2.827 11.635 -0.899 1.00 0.00 H new ATOM 0 HG3 GLU A 68 1.781 10.781 -2.015 1.00 0.00 H new ATOM 1006 N GLU A 69 4.676 9.925 -2.283 1.00 0.00 N ATOM 1007 CA GLU A 69 5.822 10.708 -2.728 1.00 0.00 C ATOM 1008 C GLU A 69 5.600 11.244 -4.139 1.00 0.00 C ATOM 1009 O GLU A 69 5.238 10.498 -5.049 1.00 0.00 O ATOM 1010 CB GLU A 69 7.095 9.860 -2.687 1.00 0.00 C ATOM 1011 CG GLU A 69 8.331 10.594 -3.178 1.00 0.00 C ATOM 1012 CD GLU A 69 9.452 9.651 -3.571 1.00 0.00 C ATOM 1013 OE1 GLU A 69 9.482 9.221 -4.743 1.00 0.00 O ATOM 1014 OE2 GLU A 69 10.299 9.343 -2.706 1.00 0.00 O ATOM 0 H GLU A 69 4.083 9.579 -3.037 1.00 0.00 H new ATOM 0 HA GLU A 69 5.936 11.554 -2.050 1.00 0.00 H new ATOM 0 HB2 GLU A 69 7.265 9.524 -1.664 1.00 0.00 H new ATOM 0 HB3 GLU A 69 6.947 8.968 -3.295 1.00 0.00 H new ATOM 0 HG2 GLU A 69 8.065 11.213 -4.035 1.00 0.00 H new ATOM 0 HG3 GLU A 69 8.684 11.266 -2.396 1.00 0.00 H new ATOM 1021 N LYS A 70 5.819 12.543 -4.314 1.00 0.00 N ATOM 1022 CA LYS A 70 5.644 13.181 -5.613 1.00 0.00 C ATOM 1023 C LYS A 70 4.431 12.611 -6.340 1.00 0.00 C ATOM 1024 O LYS A 70 4.492 12.316 -7.533 1.00 0.00 O ATOM 1025 CB LYS A 70 6.899 12.995 -6.469 1.00 0.00 C ATOM 1026 CG LYS A 70 8.097 13.786 -5.972 1.00 0.00 C ATOM 1027 CD LYS A 70 8.023 15.240 -6.405 1.00 0.00 C ATOM 1028 CE LYS A 70 7.302 16.093 -5.372 1.00 0.00 C ATOM 1029 NZ LYS A 70 7.785 17.502 -5.382 1.00 0.00 N ATOM 0 H LYS A 70 6.118 13.175 -3.571 1.00 0.00 H new ATOM 0 HA LYS A 70 5.479 14.246 -5.448 1.00 0.00 H new ATOM 0 HB2 LYS A 70 7.158 11.937 -6.494 1.00 0.00 H new ATOM 0 HB3 LYS A 70 6.677 13.293 -7.494 1.00 0.00 H new ATOM 0 HG2 LYS A 70 8.145 13.731 -4.884 1.00 0.00 H new ATOM 0 HG3 LYS A 70 9.014 13.338 -6.354 1.00 0.00 H new ATOM 0 HD2 LYS A 70 9.030 15.627 -6.559 1.00 0.00 H new ATOM 0 HD3 LYS A 70 7.505 15.310 -7.362 1.00 0.00 H new ATOM 0 HE2 LYS A 70 6.230 16.075 -5.570 1.00 0.00 H new ATOM 0 HE3 LYS A 70 7.450 15.665 -4.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 7.270 18.051 -4.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 8.803 17.522 -5.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 7.621 17.919 -6.321 1.00 0.00 H new ATOM 1043 N GLY A 71 3.328 12.459 -5.613 1.00 0.00 N ATOM 1044 CA GLY A 71 2.115 11.926 -6.207 1.00 0.00 C ATOM 1045 C GLY A 71 2.262 10.475 -6.620 1.00 0.00 C ATOM 1046 O GLY A 71 1.980 10.117 -7.763 1.00 0.00 O ATOM 0 H GLY A 71 3.253 12.695 -4.624 1.00 0.00 H new ATOM 0 HA2 GLY A 71 1.295 12.017 -5.495 1.00 0.00 H new ATOM 0 HA3 GLY A 71 1.848 12.524 -7.079 1.00 0.00 H new ATOM 1050 N ALA A 72 2.705 9.638 -5.688 1.00 0.00 N ATOM 1051 CA ALA A 72 2.888 8.218 -5.961 1.00 0.00 C ATOM 1052 C ALA A 72 2.928 7.411 -4.668 1.00 0.00 C ATOM 1053 O ALA A 72 3.642 7.761 -3.727 1.00 0.00 O ATOM 1054 CB ALA A 72 4.161 7.995 -6.764 1.00 0.00 C ATOM 0 H ALA A 72 2.944 9.919 -4.737 1.00 0.00 H new ATOM 0 HA ALA A 72 2.036 7.873 -6.547 1.00 0.00 H new ATOM 0 HB1 ALA A 72 4.285 6.930 -6.961 1.00 0.00 H new ATOM 0 HB2 ALA A 72 4.094 8.533 -7.709 1.00 0.00 H new ATOM 0 HB3 ALA A 72 5.017 8.362 -6.198 1.00 0.00 H new ATOM 1060 N LEU A 73 2.156 6.331 -4.627 1.00 0.00 N ATOM 1061 CA LEU A 73 2.102 5.473 -3.448 1.00 0.00 C ATOM 1062 C LEU A 73 2.926 4.207 -3.657 1.00 0.00 C ATOM 1063 O LEU A 73 2.647 3.413 -4.556 1.00 0.00 O ATOM 1064 CB LEU A 73 0.653 5.105 -3.127 1.00 0.00 C ATOM 1065 CG LEU A 73 -0.249 6.255 -2.679 1.00 0.00 C ATOM 1066 CD1 LEU A 73 -1.679 5.772 -2.495 1.00 0.00 C ATOM 1067 CD2 LEU A 73 0.276 6.874 -1.391 1.00 0.00 C ATOM 0 H LEU A 73 1.559 6.028 -5.396 1.00 0.00 H new ATOM 0 HA LEU A 73 2.525 6.025 -2.608 1.00 0.00 H new ATOM 0 HB2 LEU A 73 0.211 4.647 -4.012 1.00 0.00 H new ATOM 0 HB3 LEU A 73 0.657 4.347 -2.344 1.00 0.00 H new ATOM 0 HG LEU A 73 -0.243 7.020 -3.456 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -2.306 6.605 -2.176 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -2.054 5.376 -3.439 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -1.704 4.988 -1.738 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.378 7.691 -1.087 1.00 0.00 H new ATOM 0 HD22 LEU A 73 0.300 6.117 -0.607 1.00 0.00 H new ATOM 0 HD23 LEU A 73 1.283 7.258 -1.556 1.00 0.00 H new ATOM 1079 N TYR A 74 3.942 4.023 -2.821 1.00 0.00 N ATOM 1080 CA TYR A 74 4.807 2.854 -2.914 1.00 0.00 C ATOM 1081 C TYR A 74 4.604 1.929 -1.718 1.00 0.00 C ATOM 1082 O TYR A 74 4.715 2.350 -0.566 1.00 0.00 O ATOM 1083 CB TYR A 74 6.273 3.283 -2.998 1.00 0.00 C ATOM 1084 CG TYR A 74 6.555 4.258 -4.118 1.00 0.00 C ATOM 1085 CD1 TYR A 74 6.857 3.808 -5.398 1.00 0.00 C ATOM 1086 CD2 TYR A 74 6.522 5.629 -3.897 1.00 0.00 C ATOM 1087 CE1 TYR A 74 7.116 4.696 -6.424 1.00 0.00 C ATOM 1088 CE2 TYR A 74 6.779 6.524 -4.917 1.00 0.00 C ATOM 1089 CZ TYR A 74 7.075 6.053 -6.179 1.00 0.00 C ATOM 1090 OH TYR A 74 7.333 6.941 -7.198 1.00 0.00 O ATOM 0 H TYR A 74 4.186 4.669 -2.071 1.00 0.00 H new ATOM 0 HA TYR A 74 4.542 2.310 -3.820 1.00 0.00 H new ATOM 0 HB2 TYR A 74 6.565 3.736 -2.051 1.00 0.00 H new ATOM 0 HB3 TYR A 74 6.895 2.398 -3.133 1.00 0.00 H new ATOM 0 HD1 TYR A 74 6.890 2.746 -5.594 1.00 0.00 H new ATOM 0 HD2 TYR A 74 6.291 6.002 -2.910 1.00 0.00 H new ATOM 0 HE1 TYR A 74 7.349 4.330 -7.413 1.00 0.00 H new ATOM 0 HE2 TYR A 74 6.748 7.587 -4.727 1.00 0.00 H new ATOM 0 HH TYR A 74 7.262 7.858 -6.859 1.00 0.00 H new ATOM 1100 N CYS A 75 4.306 0.665 -2.000 1.00 0.00 N ATOM 1101 CA CYS A 75 4.087 -0.322 -0.950 1.00 0.00 C ATOM 1102 C CYS A 75 5.374 -0.586 -0.174 1.00 0.00 C ATOM 1103 O CYS A 75 6.457 -0.653 -0.754 1.00 0.00 O ATOM 1104 CB CYS A 75 3.563 -1.629 -1.550 1.00 0.00 C ATOM 1105 SG CYS A 75 4.717 -2.429 -2.710 1.00 0.00 S ATOM 0 H CYS A 75 4.211 0.300 -2.948 1.00 0.00 H new ATOM 0 HA CYS A 75 3.343 0.077 -0.261 1.00 0.00 H new ATOM 0 HB2 CYS A 75 3.338 -2.324 -0.741 1.00 0.00 H new ATOM 0 HB3 CYS A 75 2.625 -1.428 -2.068 1.00 0.00 H new ATOM 1110 N GLU A 76 5.246 -0.736 1.141 1.00 0.00 N ATOM 1111 CA GLU A 76 6.400 -0.992 1.995 1.00 0.00 C ATOM 1112 C GLU A 76 7.430 -1.855 1.274 1.00 0.00 C ATOM 1113 O GLU A 76 8.637 -1.677 1.447 1.00 0.00 O ATOM 1114 CB GLU A 76 5.960 -1.678 3.291 1.00 0.00 C ATOM 1115 CG GLU A 76 5.315 -3.036 3.071 1.00 0.00 C ATOM 1116 CD GLU A 76 5.375 -3.916 4.305 1.00 0.00 C ATOM 1117 OE1 GLU A 76 6.497 -4.243 4.746 1.00 0.00 O ATOM 1118 OE2 GLU A 76 4.301 -4.279 4.828 1.00 0.00 O ATOM 0 H GLU A 76 4.356 -0.685 1.637 1.00 0.00 H new ATOM 0 HA GLU A 76 6.861 -0.034 2.237 1.00 0.00 H new ATOM 0 HB2 GLU A 76 6.826 -1.798 3.941 1.00 0.00 H new ATOM 0 HB3 GLU A 76 5.256 -1.031 3.814 1.00 0.00 H new ATOM 0 HG2 GLU A 76 4.274 -2.897 2.779 1.00 0.00 H new ATOM 0 HG3 GLU A 76 5.814 -3.541 2.244 1.00 0.00 H new ATOM 1125 N LEU A 77 6.947 -2.792 0.465 1.00 0.00 N ATOM 1126 CA LEU A 77 7.825 -3.684 -0.283 1.00 0.00 C ATOM 1127 C LEU A 77 8.708 -2.898 -1.247 1.00 0.00 C ATOM 1128 O LEU A 77 9.933 -3.018 -1.222 1.00 0.00 O ATOM 1129 CB LEU A 77 7.000 -4.715 -1.055 1.00 0.00 C ATOM 1130 CG LEU A 77 6.502 -5.916 -0.250 1.00 0.00 C ATOM 1131 CD1 LEU A 77 5.533 -6.748 -1.076 1.00 0.00 C ATOM 1132 CD2 LEU A 77 7.674 -6.767 0.218 1.00 0.00 C ATOM 0 H LEU A 77 5.952 -2.953 0.311 1.00 0.00 H new ATOM 0 HA LEU A 77 8.468 -4.201 0.429 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.136 -4.210 -1.487 1.00 0.00 H new ATOM 0 HB3 LEU A 77 7.602 -5.084 -1.885 1.00 0.00 H new ATOM 0 HG LEU A 77 5.973 -5.546 0.629 1.00 0.00 H new ATOM 0 HD11 LEU A 77 5.189 -7.598 -0.487 1.00 0.00 H new ATOM 0 HD12 LEU A 77 4.678 -6.135 -1.361 1.00 0.00 H new ATOM 0 HD13 LEU A 77 6.036 -7.108 -1.973 1.00 0.00 H new ATOM 0 HD21 LEU A 77 7.301 -7.617 0.789 1.00 0.00 H new ATOM 0 HD22 LEU A 77 8.230 -7.127 -0.647 1.00 0.00 H new ATOM 0 HD23 LEU A 77 8.331 -6.167 0.848 1.00 0.00 H new ATOM 1144 N CYS A 78 8.078 -2.091 -2.094 1.00 0.00 N ATOM 1145 CA CYS A 78 8.804 -1.283 -3.066 1.00 0.00 C ATOM 1146 C CYS A 78 9.733 -0.296 -2.365 1.00 0.00 C ATOM 1147 O CYS A 78 10.871 -0.091 -2.788 1.00 0.00 O ATOM 1148 CB CYS A 78 7.825 -0.528 -3.966 1.00 0.00 C ATOM 1149 SG CYS A 78 7.018 -1.569 -5.225 1.00 0.00 S ATOM 0 H CYS A 78 7.065 -1.979 -2.127 1.00 0.00 H new ATOM 0 HA CYS A 78 9.408 -1.952 -3.679 1.00 0.00 H new ATOM 0 HB2 CYS A 78 7.057 -0.068 -3.344 1.00 0.00 H new ATOM 0 HB3 CYS A 78 8.358 0.281 -4.466 1.00 0.00 H new ATOM 1154 N TYR A 79 9.240 0.313 -1.292 1.00 0.00 N ATOM 1155 CA TYR A 79 10.024 1.280 -0.534 1.00 0.00 C ATOM 1156 C TYR A 79 11.281 0.633 0.039 1.00 0.00 C ATOM 1157 O TYR A 79 12.398 0.968 -0.353 1.00 0.00 O ATOM 1158 CB TYR A 79 9.183 1.876 0.596 1.00 0.00 C ATOM 1159 CG TYR A 79 9.931 2.882 1.442 1.00 0.00 C ATOM 1160 CD1 TYR A 79 10.906 2.474 2.344 1.00 0.00 C ATOM 1161 CD2 TYR A 79 9.663 4.242 1.337 1.00 0.00 C ATOM 1162 CE1 TYR A 79 11.590 3.390 3.118 1.00 0.00 C ATOM 1163 CE2 TYR A 79 10.344 5.165 2.107 1.00 0.00 C ATOM 1164 CZ TYR A 79 11.306 4.735 2.996 1.00 0.00 C ATOM 1165 OH TYR A 79 11.987 5.650 3.765 1.00 0.00 O ATOM 0 H TYR A 79 8.301 0.154 -0.928 1.00 0.00 H new ATOM 0 HA TYR A 79 10.325 2.078 -1.213 1.00 0.00 H new ATOM 0 HB2 TYR A 79 8.303 2.356 0.168 1.00 0.00 H new ATOM 0 HB3 TYR A 79 8.826 1.069 1.236 1.00 0.00 H new ATOM 0 HD1 TYR A 79 11.133 1.423 2.441 1.00 0.00 H new ATOM 0 HD2 TYR A 79 8.910 4.583 0.642 1.00 0.00 H new ATOM 0 HE1 TYR A 79 12.344 3.056 3.816 1.00 0.00 H new ATOM 0 HE2 TYR A 79 10.124 6.218 2.013 1.00 0.00 H new ATOM 0 HH TYR A 79 11.669 6.553 3.557 1.00 0.00 H new ATOM 1175 N GLU A 80 11.089 -0.297 0.969 1.00 0.00 N ATOM 1176 CA GLU A 80 12.207 -0.991 1.597 1.00 0.00 C ATOM 1177 C GLU A 80 13.195 -1.492 0.547 1.00 0.00 C ATOM 1178 O GLU A 80 14.378 -1.683 0.832 1.00 0.00 O ATOM 1179 CB GLU A 80 11.700 -2.166 2.437 1.00 0.00 C ATOM 1180 CG GLU A 80 12.812 -3.025 3.015 1.00 0.00 C ATOM 1181 CD GLU A 80 13.424 -2.423 4.265 1.00 0.00 C ATOM 1182 OE1 GLU A 80 12.662 -1.903 5.107 1.00 0.00 O ATOM 1183 OE2 GLU A 80 14.664 -2.471 4.401 1.00 0.00 O ATOM 0 H GLU A 80 10.170 -0.587 1.304 1.00 0.00 H new ATOM 0 HA GLU A 80 12.721 -0.284 2.247 1.00 0.00 H new ATOM 0 HB2 GLU A 80 11.088 -1.781 3.253 1.00 0.00 H new ATOM 0 HB3 GLU A 80 11.053 -2.790 1.820 1.00 0.00 H new ATOM 0 HG2 GLU A 80 12.418 -4.014 3.248 1.00 0.00 H new ATOM 0 HG3 GLU A 80 13.590 -3.160 2.263 1.00 0.00 H new ATOM 1190 N LYS A 81 12.701 -1.703 -0.668 1.00 0.00 N ATOM 1191 CA LYS A 81 13.539 -2.180 -1.763 1.00 0.00 C ATOM 1192 C LYS A 81 14.457 -1.072 -2.268 1.00 0.00 C ATOM 1193 O LYS A 81 15.681 -1.198 -2.224 1.00 0.00 O ATOM 1194 CB LYS A 81 12.668 -2.698 -2.909 1.00 0.00 C ATOM 1195 CG LYS A 81 12.361 -4.183 -2.817 1.00 0.00 C ATOM 1196 CD LYS A 81 12.178 -4.801 -4.193 1.00 0.00 C ATOM 1197 CE LYS A 81 10.930 -4.269 -4.881 1.00 0.00 C ATOM 1198 NZ LYS A 81 9.685 -4.759 -4.229 1.00 0.00 N ATOM 0 H LYS A 81 11.724 -1.551 -0.920 1.00 0.00 H new ATOM 0 HA LYS A 81 14.157 -2.995 -1.387 1.00 0.00 H new ATOM 0 HB2 LYS A 81 11.731 -2.142 -2.922 1.00 0.00 H new ATOM 0 HB3 LYS A 81 13.170 -2.497 -3.855 1.00 0.00 H new ATOM 0 HG2 LYS A 81 13.171 -4.691 -2.294 1.00 0.00 H new ATOM 0 HG3 LYS A 81 11.457 -4.333 -2.227 1.00 0.00 H new ATOM 0 HD2 LYS A 81 13.053 -4.588 -4.808 1.00 0.00 H new ATOM 0 HD3 LYS A 81 12.110 -5.885 -4.100 1.00 0.00 H new ATOM 0 HE2 LYS A 81 10.943 -3.179 -4.865 1.00 0.00 H new ATOM 0 HE3 LYS A 81 10.935 -4.573 -5.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 8.860 -4.458 -4.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 9.707 -5.797 -4.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 9.617 -4.364 -3.269 1.00 0.00 H new ATOM 1212 N PHE A 82 13.859 0.014 -2.747 1.00 0.00 N ATOM 1213 CA PHE A 82 14.624 1.144 -3.261 1.00 0.00 C ATOM 1214 C PHE A 82 14.764 2.232 -2.200 1.00 0.00 C ATOM 1215 O PHE A 82 15.874 2.587 -1.802 1.00 0.00 O ATOM 1216 CB PHE A 82 13.950 1.717 -4.510 1.00 0.00 C ATOM 1217 CG PHE A 82 13.473 0.666 -5.470 1.00 0.00 C ATOM 1218 CD1 PHE A 82 14.352 0.073 -6.362 1.00 0.00 C ATOM 1219 CD2 PHE A 82 12.146 0.269 -5.480 1.00 0.00 C ATOM 1220 CE1 PHE A 82 13.915 -0.894 -7.247 1.00 0.00 C ATOM 1221 CE2 PHE A 82 11.703 -0.698 -6.362 1.00 0.00 C ATOM 1222 CZ PHE A 82 12.589 -1.281 -7.246 1.00 0.00 C ATOM 0 H PHE A 82 12.847 0.135 -2.790 1.00 0.00 H new ATOM 0 HA PHE A 82 15.620 0.788 -3.525 1.00 0.00 H new ATOM 0 HB2 PHE A 82 13.102 2.331 -4.206 1.00 0.00 H new ATOM 0 HB3 PHE A 82 14.652 2.374 -5.023 1.00 0.00 H new ATOM 0 HD1 PHE A 82 15.390 0.370 -6.366 1.00 0.00 H new ATOM 0 HD2 PHE A 82 11.449 0.721 -4.790 1.00 0.00 H new ATOM 0 HE1 PHE A 82 14.610 -1.347 -7.939 1.00 0.00 H new ATOM 0 HE2 PHE A 82 10.665 -0.997 -6.360 1.00 0.00 H new ATOM 0 HZ PHE A 82 12.246 -2.038 -7.935 1.00 0.00 H new ATOM 1232 N PHE A 83 13.632 2.758 -1.747 1.00 0.00 N ATOM 1233 CA PHE A 83 13.627 3.807 -0.734 1.00 0.00 C ATOM 1234 C PHE A 83 14.601 3.478 0.394 1.00 0.00 C ATOM 1235 O PHE A 83 15.225 4.368 0.970 1.00 0.00 O ATOM 1236 CB PHE A 83 12.218 3.994 -0.168 1.00 0.00 C ATOM 1237 CG PHE A 83 11.373 4.945 -0.967 1.00 0.00 C ATOM 1238 CD1 PHE A 83 10.820 4.554 -2.175 1.00 0.00 C ATOM 1239 CD2 PHE A 83 11.132 6.230 -0.508 1.00 0.00 C ATOM 1240 CE1 PHE A 83 10.041 5.426 -2.912 1.00 0.00 C ATOM 1241 CE2 PHE A 83 10.354 7.107 -1.241 1.00 0.00 C ATOM 1242 CZ PHE A 83 9.809 6.705 -2.444 1.00 0.00 C ATOM 0 H PHE A 83 12.705 2.475 -2.065 1.00 0.00 H new ATOM 0 HA PHE A 83 13.946 4.735 -1.207 1.00 0.00 H new ATOM 0 HB2 PHE A 83 11.720 3.025 -0.126 1.00 0.00 H new ATOM 0 HB3 PHE A 83 12.292 4.359 0.856 1.00 0.00 H new ATOM 0 HD1 PHE A 83 11.000 3.556 -2.546 1.00 0.00 H new ATOM 0 HD2 PHE A 83 11.556 6.550 0.432 1.00 0.00 H new ATOM 0 HE1 PHE A 83 9.614 5.108 -3.852 1.00 0.00 H new ATOM 0 HE2 PHE A 83 10.173 8.106 -0.873 1.00 0.00 H new ATOM 0 HZ PHE A 83 9.202 7.389 -3.018 1.00 0.00 H new ATOM 1252 N ALA A 84 14.724 2.191 0.704 1.00 0.00 N ATOM 1253 CA ALA A 84 15.621 1.743 1.762 1.00 0.00 C ATOM 1254 C ALA A 84 16.829 1.013 1.184 1.00 0.00 C ATOM 1255 O ALA A 84 16.830 -0.213 1.070 1.00 0.00 O ATOM 1256 CB ALA A 84 14.878 0.845 2.740 1.00 0.00 C ATOM 0 H ALA A 84 14.214 1.441 0.238 1.00 0.00 H new ATOM 0 HA ALA A 84 15.981 2.623 2.296 1.00 0.00 H new ATOM 0 HB1 ALA A 84 15.561 0.518 3.524 1.00 0.00 H new ATOM 0 HB2 ALA A 84 14.051 1.398 3.186 1.00 0.00 H new ATOM 0 HB3 ALA A 84 14.489 -0.025 2.211 1.00 0.00 H new ATOM 1262 N SER A 85 17.856 1.774 0.820 1.00 0.00 N ATOM 1263 CA SER A 85 19.069 1.200 0.250 1.00 0.00 C ATOM 1264 C SER A 85 19.896 0.501 1.324 1.00 0.00 C ATOM 1265 O SER A 85 20.284 1.111 2.319 1.00 0.00 O ATOM 1266 CB SER A 85 19.905 2.288 -0.427 1.00 0.00 C ATOM 1267 OG SER A 85 19.249 2.793 -1.577 1.00 0.00 O ATOM 0 H SER A 85 17.872 2.790 0.910 1.00 0.00 H new ATOM 0 HA SER A 85 18.776 0.461 -0.496 1.00 0.00 H new ATOM 0 HB2 SER A 85 20.089 3.100 0.276 1.00 0.00 H new ATOM 0 HB3 SER A 85 20.877 1.882 -0.708 1.00 0.00 H new ATOM 0 HG SER A 85 19.803 3.488 -1.991 1.00 0.00 H new ATOM 1273 N GLY A 86 20.163 -0.785 1.114 1.00 0.00 N ATOM 1274 CA GLY A 86 20.943 -1.547 2.072 1.00 0.00 C ATOM 1275 C GLY A 86 21.050 -3.012 1.697 1.00 0.00 C ATOM 1276 O GLY A 86 20.983 -3.382 0.525 1.00 0.00 O ATOM 0 H GLY A 86 19.853 -1.312 0.298 1.00 0.00 H new ATOM 0 HA2 GLY A 86 21.943 -1.119 2.144 1.00 0.00 H new ATOM 0 HA3 GLY A 86 20.487 -1.460 3.058 1.00 0.00 H new ATOM 1280 N PRO A 87 21.223 -3.874 2.710 1.00 0.00 N ATOM 1281 CA PRO A 87 21.345 -5.321 2.506 1.00 0.00 C ATOM 1282 C PRO A 87 20.032 -5.956 2.060 1.00 0.00 C ATOM 1283 O PRO A 87 19.957 -7.167 1.851 1.00 0.00 O ATOM 1284 CB PRO A 87 21.748 -5.841 3.888 1.00 0.00 C ATOM 1285 CG PRO A 87 21.223 -4.826 4.843 1.00 0.00 C ATOM 1286 CD PRO A 87 21.312 -3.504 4.132 1.00 0.00 C ATOM 0 HA PRO A 87 22.060 -5.563 1.719 1.00 0.00 H new ATOM 0 HB2 PRO A 87 21.320 -6.825 4.081 1.00 0.00 H new ATOM 0 HB3 PRO A 87 22.830 -5.942 3.973 1.00 0.00 H new ATOM 0 HG2 PRO A 87 20.194 -5.050 5.124 1.00 0.00 H new ATOM 0 HG3 PRO A 87 21.809 -4.815 5.762 1.00 0.00 H new ATOM 0 HD2 PRO A 87 20.502 -2.835 4.424 1.00 0.00 H new ATOM 0 HD3 PRO A 87 22.247 -2.990 4.356 1.00 0.00 H new ATOM 1294 N SER A 88 19.000 -5.131 1.914 1.00 0.00 N ATOM 1295 CA SER A 88 17.689 -5.613 1.495 1.00 0.00 C ATOM 1296 C SER A 88 17.721 -6.082 0.044 1.00 0.00 C ATOM 1297 O SER A 88 18.591 -5.683 -0.730 1.00 0.00 O ATOM 1298 CB SER A 88 16.640 -4.513 1.665 1.00 0.00 C ATOM 1299 OG SER A 88 16.708 -3.938 2.958 1.00 0.00 O ATOM 0 H SER A 88 19.046 -4.126 2.080 1.00 0.00 H new ATOM 0 HA SER A 88 17.422 -6.460 2.126 1.00 0.00 H new ATOM 0 HB2 SER A 88 16.794 -3.740 0.912 1.00 0.00 H new ATOM 0 HB3 SER A 88 15.645 -4.926 1.499 1.00 0.00 H new ATOM 0 HG SER A 88 15.849 -3.520 3.176 1.00 0.00 H new ATOM 1305 N SER A 89 16.766 -6.932 -0.318 1.00 0.00 N ATOM 1306 CA SER A 89 16.685 -7.460 -1.675 1.00 0.00 C ATOM 1307 C SER A 89 16.261 -6.371 -2.656 1.00 0.00 C ATOM 1308 O SER A 89 15.344 -5.597 -2.385 1.00 0.00 O ATOM 1309 CB SER A 89 15.699 -8.627 -1.733 1.00 0.00 C ATOM 1310 OG SER A 89 16.312 -9.835 -1.316 1.00 0.00 O ATOM 0 H SER A 89 16.037 -7.270 0.310 1.00 0.00 H new ATOM 0 HA SER A 89 17.675 -7.817 -1.960 1.00 0.00 H new ATOM 0 HB2 SER A 89 14.840 -8.413 -1.097 1.00 0.00 H new ATOM 0 HB3 SER A 89 15.323 -8.739 -2.750 1.00 0.00 H new ATOM 0 HG SER A 89 15.660 -10.565 -1.361 1.00 0.00 H new ATOM 1316 N GLY A 90 16.937 -6.318 -3.800 1.00 0.00 N ATOM 1317 CA GLY A 90 16.617 -5.322 -4.806 1.00 0.00 C ATOM 1318 C GLY A 90 17.591 -4.160 -4.801 1.00 0.00 C ATOM 1319 O GLY A 90 18.711 -4.320 -4.318 1.00 0.00 O ATOM 0 H GLY A 90 17.701 -6.947 -4.048 1.00 0.00 H new ATOM 0 HA2 GLY A 90 16.620 -5.790 -5.790 1.00 0.00 H new ATOM 0 HA3 GLY A 90 15.608 -4.947 -4.634 1.00 0.00 H new TER 1323 GLY A 90 HETATM 1324 ZN ZN A 201 -12.721 4.730 -7.427 1.00 0.00 ZN HETATM 1325 ZN ZN A 401 4.719 -1.583 -4.870 1.00 0.00 ZN