USER MOD reduce.3.24.130724 H: found=0, std=0, add=897, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 894 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 151:sc= -0.267 (180deg=-1.35!) USER MOD Single : A 1 MET N :NH3+ -165:sc=-0.00959 (180deg=-0.263) USER MOD Single : A 7 SER OG : rot 180:sc= -0.0888 USER MOD Single : A 8 THR OG1 : rot -150:sc= -0.309 USER MOD Single : A 19 ASN : amide:sc= -0.326 K(o=-0.33,f=-2.2!) USER MOD Single : A 21 THR OG1 : rot -82:sc= 0.14 USER MOD Single : A 22 GLN : amide:sc= -0.15 K(o=-0.15,f=-0.89) USER MOD Single : A 23 ASN : amide:sc= -0.0224 K(o=-0.022,f=-1.5!) USER MOD Single : A 24 GLN : amide:sc= -2.07 K(o=-2.1,f=-0.65) USER MOD Single : A 25 LYS NZ :NH3+ 164:sc=-0.00584 (180deg=-0.256) USER MOD Single : A 30 ASN : amide:sc= -0.0175 K(o=-0.018,f=-1.6!) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl 154:sc= -0.143 (180deg=-1.13) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -1.71! C(o=-1.7!,f=-8.1!) USER MOD Single : A 40 THR OG1 : rot 142:sc= 0.292! USER MOD Single : A 43 MET CE :methyl -156:sc= -0.117 (180deg=-1.65!) USER MOD Single : A 44 TYR OH : rot 180:sc= -0.0113 USER MOD Single : A 50 SER OG : rot 136:sc= 0.0673 USER MOD Single : A 53 ASN : amide:sc= 0.421 X(o=0.42,f=-0.011) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 158:sc= -0.112 (180deg=-0.657) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 66 MET CE :methyl -172:sc= -1.18 (180deg=-1.48) USER MOD Single : A 68 SER OG : rot 76:sc= 0.318 USER MOD Single : A 73 HIS : no HE2:sc= -11.8! C(o=-12!,f=-13!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot -35:sc= 0.466 USER MOD Single : A 84 HIS : no HD1:sc= -4.75! C(o=-4.7!,f=-6!) USER MOD Single : A 88 THR OG1 : rot 180:sc=-0.00769 USER MOD Single : A 89 LYS NZ :NH3+ -112:sc= 1.47 (180deg=-0.797) USER MOD Single : A 94 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 HIS : no HD1:sc= -4.03 X(o=-4,f=-4.3) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 ASN : amide:sc= -0.4 X(o=-0.4,f=-0.79) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 22.400 4.260 10.824 1.00 0.00 N ATOM 2 CA MET A 1 22.080 5.129 11.994 1.00 0.00 C ATOM 3 C MET A 1 21.176 6.275 11.540 1.00 0.00 C ATOM 4 O MET A 1 20.184 6.582 12.171 1.00 0.00 O ATOM 5 CB MET A 1 23.373 5.694 12.584 1.00 0.00 C ATOM 6 CG MET A 1 24.162 4.563 13.247 1.00 0.00 C ATOM 7 SD MET A 1 25.675 5.231 13.986 1.00 0.00 S ATOM 8 CE MET A 1 24.889 6.240 15.270 1.00 0.00 C ATOM 0 H1 MET A 1 22.792 3.357 11.159 1.00 0.00 H new ATOM 0 H2 MET A 1 21.533 4.080 10.278 1.00 0.00 H new ATOM 0 H3 MET A 1 23.098 4.737 10.218 1.00 0.00 H new ATOM 0 HA MET A 1 21.567 4.541 12.755 1.00 0.00 H new ATOM 0 HB2 MET A 1 23.971 6.159 11.800 1.00 0.00 H new ATOM 0 HB3 MET A 1 23.144 6.470 13.314 1.00 0.00 H new ATOM 0 HG2 MET A 1 23.553 4.081 14.012 1.00 0.00 H new ATOM 0 HG3 MET A 1 24.411 3.799 12.510 1.00 0.00 H new ATOM 0 HE1 MET A 1 25.558 6.324 16.127 1.00 0.00 H new ATOM 0 HE2 MET A 1 24.680 7.234 14.874 1.00 0.00 H new ATOM 0 HE3 MET A 1 23.956 5.770 15.582 1.00 0.00 H new ATOM 20 N GLY A 2 21.504 6.904 10.444 1.00 0.00 N ATOM 21 CA GLY A 2 20.656 8.022 9.942 1.00 0.00 C ATOM 22 C GLY A 2 19.373 7.439 9.341 1.00 0.00 C ATOM 23 O GLY A 2 19.270 6.245 9.145 1.00 0.00 O ATOM 0 H GLY A 2 22.323 6.692 9.875 1.00 0.00 H new ATOM 0 HA2 GLY A 2 20.414 8.707 10.755 1.00 0.00 H new ATOM 0 HA3 GLY A 2 21.197 8.598 9.191 1.00 0.00 H new ATOM 27 N PRO A 3 18.398 8.266 9.049 1.00 0.00 N ATOM 28 CA PRO A 3 17.124 7.771 8.465 1.00 0.00 C ATOM 29 C PRO A 3 17.367 6.717 7.376 1.00 0.00 C ATOM 30 O PRO A 3 18.460 6.587 6.861 1.00 0.00 O ATOM 31 CB PRO A 3 16.509 9.061 7.895 1.00 0.00 C ATOM 32 CG PRO A 3 17.245 10.262 8.528 1.00 0.00 C ATOM 33 CD PRO A 3 18.493 9.734 9.269 1.00 0.00 C ATOM 0 HA PRO A 3 16.480 7.264 9.184 1.00 0.00 H new ATOM 0 HB2 PRO A 3 16.608 9.083 6.810 1.00 0.00 H new ATOM 0 HB3 PRO A 3 15.443 9.106 8.119 1.00 0.00 H new ATOM 0 HG2 PRO A 3 17.535 10.977 7.758 1.00 0.00 H new ATOM 0 HG3 PRO A 3 16.587 10.788 9.220 1.00 0.00 H new ATOM 0 HD2 PRO A 3 19.414 10.147 8.859 1.00 0.00 H new ATOM 0 HD3 PRO A 3 18.474 9.988 10.329 1.00 0.00 H new ATOM 41 N VAL A 4 16.362 5.963 7.026 1.00 0.00 N ATOM 42 CA VAL A 4 16.547 4.918 5.980 1.00 0.00 C ATOM 43 C VAL A 4 16.480 5.580 4.586 1.00 0.00 C ATOM 44 O VAL A 4 15.545 6.306 4.311 1.00 0.00 O ATOM 45 CB VAL A 4 15.422 3.886 6.099 1.00 0.00 C ATOM 46 CG1 VAL A 4 15.698 2.711 5.158 1.00 0.00 C ATOM 47 CG2 VAL A 4 15.352 3.372 7.539 1.00 0.00 C ATOM 0 H VAL A 4 15.422 6.025 7.418 1.00 0.00 H new ATOM 0 HA VAL A 4 17.513 4.430 6.111 1.00 0.00 H new ATOM 0 HB VAL A 4 14.475 4.354 5.829 1.00 0.00 H new ATOM 0 HG11 VAL A 4 14.895 1.979 5.245 1.00 0.00 H new ATOM 0 HG12 VAL A 4 15.750 3.072 4.131 1.00 0.00 H new ATOM 0 HG13 VAL A 4 16.646 2.244 5.427 1.00 0.00 H new ATOM 0 HG21 VAL A 4 14.551 2.637 7.625 1.00 0.00 H new ATOM 0 HG22 VAL A 4 16.301 2.907 7.806 1.00 0.00 H new ATOM 0 HG23 VAL A 4 15.154 4.205 8.213 1.00 0.00 H new ATOM 57 N PRO A 5 17.434 5.348 3.695 1.00 0.00 N ATOM 58 CA PRO A 5 17.363 5.980 2.344 1.00 0.00 C ATOM 59 C PRO A 5 16.046 5.637 1.611 1.00 0.00 C ATOM 60 O PRO A 5 15.347 4.719 1.993 1.00 0.00 O ATOM 61 CB PRO A 5 18.586 5.378 1.617 1.00 0.00 C ATOM 62 CG PRO A 5 19.397 4.539 2.626 1.00 0.00 C ATOM 63 CD PRO A 5 18.621 4.476 3.954 1.00 0.00 C ATOM 0 HA PRO A 5 17.376 7.069 2.386 1.00 0.00 H new ATOM 0 HB2 PRO A 5 18.261 4.756 0.783 1.00 0.00 H new ATOM 0 HB3 PRO A 5 19.206 6.172 1.200 1.00 0.00 H new ATOM 0 HG2 PRO A 5 19.561 3.534 2.236 1.00 0.00 H new ATOM 0 HG3 PRO A 5 20.380 4.984 2.784 1.00 0.00 H new ATOM 0 HD2 PRO A 5 18.326 3.456 4.200 1.00 0.00 H new ATOM 0 HD3 PRO A 5 19.218 4.845 4.788 1.00 0.00 H new ATOM 71 N PRO A 6 15.714 6.363 0.562 1.00 0.00 N ATOM 72 CA PRO A 6 14.461 6.093 -0.212 1.00 0.00 C ATOM 73 C PRO A 6 14.506 4.745 -0.949 1.00 0.00 C ATOM 74 O PRO A 6 13.632 3.914 -0.805 1.00 0.00 O ATOM 75 CB PRO A 6 14.444 7.265 -1.211 1.00 0.00 C ATOM 76 CG PRO A 6 15.856 7.867 -1.245 1.00 0.00 C ATOM 77 CD PRO A 6 16.548 7.500 0.075 1.00 0.00 C ATOM 0 HA PRO A 6 13.576 6.026 0.421 1.00 0.00 H new ATOM 0 HB2 PRO A 6 14.151 6.919 -2.202 1.00 0.00 H new ATOM 0 HB3 PRO A 6 13.715 8.016 -0.908 1.00 0.00 H new ATOM 0 HG2 PRO A 6 16.418 7.477 -2.094 1.00 0.00 H new ATOM 0 HG3 PRO A 6 15.808 8.949 -1.364 1.00 0.00 H new ATOM 0 HD2 PRO A 6 17.587 7.207 -0.078 1.00 0.00 H new ATOM 0 HD3 PRO A 6 16.552 8.333 0.778 1.00 0.00 H new ATOM 85 N SER A 7 15.516 4.537 -1.745 1.00 0.00 N ATOM 86 CA SER A 7 15.623 3.260 -2.506 1.00 0.00 C ATOM 87 C SER A 7 15.685 2.083 -1.533 1.00 0.00 C ATOM 88 O SER A 7 15.098 1.044 -1.763 1.00 0.00 O ATOM 89 CB SER A 7 16.889 3.282 -3.362 1.00 0.00 C ATOM 90 OG SER A 7 18.030 3.257 -2.515 1.00 0.00 O ATOM 0 H SER A 7 16.276 5.199 -1.903 1.00 0.00 H new ATOM 0 HA SER A 7 14.750 3.149 -3.149 1.00 0.00 H new ATOM 0 HB2 SER A 7 16.902 2.424 -4.034 1.00 0.00 H new ATOM 0 HB3 SER A 7 16.904 4.176 -3.986 1.00 0.00 H new ATOM 0 HG SER A 7 18.843 3.269 -3.061 1.00 0.00 H new ATOM 96 N THR A 8 16.393 2.232 -0.451 1.00 0.00 N ATOM 97 CA THR A 8 16.489 1.113 0.529 1.00 0.00 C ATOM 98 C THR A 8 15.132 0.887 1.196 1.00 0.00 C ATOM 99 O THR A 8 14.715 -0.235 1.407 1.00 0.00 O ATOM 100 CB THR A 8 17.527 1.460 1.597 1.00 0.00 C ATOM 101 OG1 THR A 8 18.792 1.657 0.981 1.00 0.00 O ATOM 102 CG2 THR A 8 17.616 0.322 2.614 1.00 0.00 C ATOM 0 H THR A 8 16.908 3.076 -0.202 1.00 0.00 H new ATOM 0 HA THR A 8 16.788 0.204 0.006 1.00 0.00 H new ATOM 0 HB THR A 8 17.231 2.375 2.110 1.00 0.00 H new ATOM 0 HG1 THR A 8 19.503 1.409 1.608 1.00 0.00 H new ATOM 0 HG21 THR A 8 18.356 0.571 3.375 1.00 0.00 H new ATOM 0 HG22 THR A 8 16.644 0.179 3.086 1.00 0.00 H new ATOM 0 HG23 THR A 8 17.911 -0.597 2.107 1.00 0.00 H new ATOM 110 N ALA A 9 14.437 1.938 1.527 1.00 0.00 N ATOM 111 CA ALA A 9 13.109 1.771 2.176 1.00 0.00 C ATOM 112 C ALA A 9 12.179 1.033 1.219 1.00 0.00 C ATOM 113 O ALA A 9 11.418 0.172 1.613 1.00 0.00 O ATOM 114 CB ALA A 9 12.521 3.147 2.499 1.00 0.00 C ATOM 0 H ALA A 9 14.730 2.903 1.377 1.00 0.00 H new ATOM 0 HA ALA A 9 13.218 1.201 3.098 1.00 0.00 H new ATOM 0 HB1 ALA A 9 11.548 3.024 2.975 1.00 0.00 H new ATOM 0 HB2 ALA A 9 13.191 3.679 3.175 1.00 0.00 H new ATOM 0 HB3 ALA A 9 12.405 3.719 1.578 1.00 0.00 H new ATOM 120 N LEU A 10 12.234 1.366 -0.039 1.00 0.00 N ATOM 121 CA LEU A 10 11.355 0.688 -1.025 1.00 0.00 C ATOM 122 C LEU A 10 11.667 -0.816 -1.020 1.00 0.00 C ATOM 123 O LEU A 10 10.779 -1.639 -0.920 1.00 0.00 O ATOM 124 CB LEU A 10 11.610 1.284 -2.415 1.00 0.00 C ATOM 125 CG LEU A 10 10.695 0.632 -3.464 1.00 0.00 C ATOM 126 CD1 LEU A 10 9.239 1.084 -3.264 1.00 0.00 C ATOM 127 CD2 LEU A 10 11.166 1.050 -4.855 1.00 0.00 C ATOM 0 H LEU A 10 12.851 2.080 -0.426 1.00 0.00 H new ATOM 0 HA LEU A 10 10.307 0.834 -0.764 1.00 0.00 H new ATOM 0 HB2 LEU A 10 11.436 2.360 -2.392 1.00 0.00 H new ATOM 0 HB3 LEU A 10 12.653 1.136 -2.693 1.00 0.00 H new ATOM 0 HG LEU A 10 10.742 -0.452 -3.356 1.00 0.00 H new ATOM 0 HD11 LEU A 10 8.605 0.613 -4.015 1.00 0.00 H new ATOM 0 HD12 LEU A 10 8.901 0.793 -2.270 1.00 0.00 H new ATOM 0 HD13 LEU A 10 9.177 2.168 -3.365 1.00 0.00 H new ATOM 0 HD21 LEU A 10 10.524 0.594 -5.609 1.00 0.00 H new ATOM 0 HD22 LEU A 10 11.116 2.135 -4.945 1.00 0.00 H new ATOM 0 HD23 LEU A 10 12.194 0.720 -5.005 1.00 0.00 H new ATOM 139 N ARG A 11 12.921 -1.186 -1.121 1.00 0.00 N ATOM 140 CA ARG A 11 13.266 -2.641 -1.116 1.00 0.00 C ATOM 141 C ARG A 11 12.796 -3.273 0.192 1.00 0.00 C ATOM 142 O ARG A 11 12.232 -4.348 0.204 1.00 0.00 O ATOM 143 CB ARG A 11 14.780 -2.818 -1.240 1.00 0.00 C ATOM 144 CG ARG A 11 15.224 -2.496 -2.667 1.00 0.00 C ATOM 145 CD ARG A 11 16.753 -2.525 -2.746 1.00 0.00 C ATOM 146 NE ARG A 11 17.178 -2.592 -4.185 1.00 0.00 N ATOM 147 CZ ARG A 11 16.862 -3.606 -4.947 1.00 0.00 C ATOM 148 NH1 ARG A 11 16.295 -4.664 -4.435 1.00 0.00 N ATOM 149 NH2 ARG A 11 17.151 -3.580 -6.219 1.00 0.00 N ATOM 0 H ARG A 11 13.713 -0.549 -1.206 1.00 0.00 H new ATOM 0 HA ARG A 11 12.773 -3.125 -1.959 1.00 0.00 H new ATOM 0 HB2 ARG A 11 15.291 -2.163 -0.534 1.00 0.00 H new ATOM 0 HB3 ARG A 11 15.058 -3.841 -0.985 1.00 0.00 H new ATOM 0 HG2 ARG A 11 14.800 -3.220 -3.363 1.00 0.00 H new ATOM 0 HG3 ARG A 11 14.853 -1.515 -2.962 1.00 0.00 H new ATOM 0 HD2 ARG A 11 17.169 -1.635 -2.274 1.00 0.00 H new ATOM 0 HD3 ARG A 11 17.140 -3.386 -2.201 1.00 0.00 H new ATOM 0 HE ARG A 11 17.727 -1.827 -4.577 1.00 0.00 H new ATOM 0 HH11 ARG A 11 16.096 -4.703 -3.435 1.00 0.00 H new ATOM 0 HH12 ARG A 11 16.051 -5.452 -5.035 1.00 0.00 H new ATOM 0 HH21 ARG A 11 17.623 -2.769 -6.618 1.00 0.00 H new ATOM 0 HH22 ARG A 11 16.905 -4.371 -6.814 1.00 0.00 H new ATOM 163 N GLU A 12 13.006 -2.608 1.291 1.00 0.00 N ATOM 164 CA GLU A 12 12.552 -3.170 2.589 1.00 0.00 C ATOM 165 C GLU A 12 11.037 -3.350 2.527 1.00 0.00 C ATOM 166 O GLU A 12 10.492 -4.326 3.006 1.00 0.00 O ATOM 167 CB GLU A 12 12.924 -2.207 3.722 1.00 0.00 C ATOM 168 CG GLU A 12 14.439 -2.235 3.940 1.00 0.00 C ATOM 169 CD GLU A 12 14.843 -3.578 4.550 1.00 0.00 C ATOM 170 OE1 GLU A 12 14.360 -3.886 5.627 1.00 0.00 O ATOM 171 OE2 GLU A 12 15.626 -4.278 3.928 1.00 0.00 O ATOM 0 H GLU A 12 13.471 -1.702 1.346 1.00 0.00 H new ATOM 0 HA GLU A 12 13.032 -4.130 2.778 1.00 0.00 H new ATOM 0 HB2 GLU A 12 12.600 -1.196 3.475 1.00 0.00 H new ATOM 0 HB3 GLU A 12 12.409 -2.492 4.639 1.00 0.00 H new ATOM 0 HG2 GLU A 12 14.956 -2.084 2.992 1.00 0.00 H new ATOM 0 HG3 GLU A 12 14.737 -1.420 4.599 1.00 0.00 H new ATOM 178 N LEU A 13 10.356 -2.410 1.932 1.00 0.00 N ATOM 179 CA LEU A 13 8.876 -2.503 1.819 1.00 0.00 C ATOM 180 C LEU A 13 8.496 -3.604 0.817 1.00 0.00 C ATOM 181 O LEU A 13 7.629 -4.416 1.074 1.00 0.00 O ATOM 182 CB LEU A 13 8.338 -1.151 1.332 1.00 0.00 C ATOM 183 CG LEU A 13 6.812 -1.191 1.197 1.00 0.00 C ATOM 184 CD1 LEU A 13 6.169 -1.471 2.564 1.00 0.00 C ATOM 185 CD2 LEU A 13 6.330 0.162 0.662 1.00 0.00 C ATOM 0 H LEU A 13 10.767 -1.574 1.516 1.00 0.00 H new ATOM 0 HA LEU A 13 8.445 -2.750 2.789 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.626 -0.366 2.032 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.787 -0.901 0.371 1.00 0.00 H new ATOM 0 HG LEU A 13 6.524 -1.986 0.509 1.00 0.00 H new ATOM 0 HD11 LEU A 13 5.085 -1.497 2.457 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.520 -2.431 2.941 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.446 -0.683 3.264 1.00 0.00 H new ATOM 0 HD21 LEU A 13 5.245 0.148 0.561 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.619 0.952 1.356 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.783 0.350 -0.312 1.00 0.00 H new ATOM 197 N ILE A 14 9.132 -3.636 -0.326 1.00 0.00 N ATOM 198 CA ILE A 14 8.796 -4.683 -1.337 1.00 0.00 C ATOM 199 C ILE A 14 9.044 -6.079 -0.750 1.00 0.00 C ATOM 200 O ILE A 14 8.209 -6.958 -0.839 1.00 0.00 O ATOM 201 CB ILE A 14 9.660 -4.497 -2.596 1.00 0.00 C ATOM 202 CG1 ILE A 14 9.277 -3.187 -3.294 1.00 0.00 C ATOM 203 CG2 ILE A 14 9.423 -5.665 -3.559 1.00 0.00 C ATOM 204 CD1 ILE A 14 10.290 -2.879 -4.401 1.00 0.00 C ATOM 0 H ILE A 14 9.867 -2.985 -0.602 1.00 0.00 H new ATOM 0 HA ILE A 14 7.744 -4.586 -1.604 1.00 0.00 H new ATOM 0 HB ILE A 14 10.711 -4.466 -2.307 1.00 0.00 H new ATOM 0 HG12 ILE A 14 8.275 -3.268 -3.716 1.00 0.00 H new ATOM 0 HG13 ILE A 14 9.254 -2.371 -2.571 1.00 0.00 H new ATOM 0 HG21 ILE A 14 10.036 -5.532 -4.450 1.00 0.00 H new ATOM 0 HG22 ILE A 14 9.693 -6.601 -3.070 1.00 0.00 H new ATOM 0 HG23 ILE A 14 8.371 -5.695 -3.843 1.00 0.00 H new ATOM 0 HD11 ILE A 14 10.016 -1.947 -4.896 1.00 0.00 H new ATOM 0 HD12 ILE A 14 11.285 -2.780 -3.967 1.00 0.00 H new ATOM 0 HD13 ILE A 14 10.291 -3.690 -5.129 1.00 0.00 H new ATOM 216 N GLU A 15 10.198 -6.294 -0.177 1.00 0.00 N ATOM 217 CA GLU A 15 10.524 -7.639 0.387 1.00 0.00 C ATOM 218 C GLU A 15 9.528 -8.038 1.485 1.00 0.00 C ATOM 219 O GLU A 15 9.116 -9.178 1.569 1.00 0.00 O ATOM 220 CB GLU A 15 11.933 -7.605 0.984 1.00 0.00 C ATOM 221 CG GLU A 15 12.961 -7.423 -0.135 1.00 0.00 C ATOM 222 CD GLU A 15 13.018 -8.687 -0.994 1.00 0.00 C ATOM 223 OE1 GLU A 15 12.772 -9.755 -0.458 1.00 0.00 O ATOM 224 OE2 GLU A 15 13.304 -8.565 -2.173 1.00 0.00 O ATOM 0 H GLU A 15 10.933 -5.594 -0.074 1.00 0.00 H new ATOM 0 HA GLU A 15 10.465 -8.372 -0.418 1.00 0.00 H new ATOM 0 HB2 GLU A 15 12.015 -6.790 1.703 1.00 0.00 H new ATOM 0 HB3 GLU A 15 12.131 -8.529 1.527 1.00 0.00 H new ATOM 0 HG2 GLU A 15 12.694 -6.565 -0.751 1.00 0.00 H new ATOM 0 HG3 GLU A 15 13.943 -7.216 0.290 1.00 0.00 H new ATOM 231 N GLU A 16 9.152 -7.126 2.341 1.00 0.00 N ATOM 232 CA GLU A 16 8.203 -7.491 3.436 1.00 0.00 C ATOM 233 C GLU A 16 6.806 -7.744 2.865 1.00 0.00 C ATOM 234 O GLU A 16 6.133 -8.676 3.256 1.00 0.00 O ATOM 235 CB GLU A 16 8.144 -6.363 4.471 1.00 0.00 C ATOM 236 CG GLU A 16 7.235 -6.782 5.632 1.00 0.00 C ATOM 237 CD GLU A 16 7.190 -5.670 6.680 1.00 0.00 C ATOM 238 OE1 GLU A 16 7.976 -4.744 6.569 1.00 0.00 O ATOM 239 OE2 GLU A 16 6.369 -5.765 7.577 1.00 0.00 O ATOM 0 H GLU A 16 9.457 -6.153 2.332 1.00 0.00 H new ATOM 0 HA GLU A 16 8.557 -8.403 3.917 1.00 0.00 H new ATOM 0 HB2 GLU A 16 9.145 -6.141 4.841 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.765 -5.451 4.010 1.00 0.00 H new ATOM 0 HG2 GLU A 16 6.230 -6.988 5.263 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.605 -7.704 6.082 1.00 0.00 H new ATOM 246 N LEU A 17 6.359 -6.930 1.948 1.00 0.00 N ATOM 247 CA LEU A 17 5.001 -7.147 1.372 1.00 0.00 C ATOM 248 C LEU A 17 4.934 -8.521 0.700 1.00 0.00 C ATOM 249 O LEU A 17 3.962 -9.238 0.829 1.00 0.00 O ATOM 250 CB LEU A 17 4.691 -6.062 0.335 1.00 0.00 C ATOM 251 CG LEU A 17 4.479 -4.705 1.021 1.00 0.00 C ATOM 252 CD1 LEU A 17 4.424 -3.613 -0.052 1.00 0.00 C ATOM 253 CD2 LEU A 17 3.161 -4.708 1.827 1.00 0.00 C ATOM 0 H LEU A 17 6.870 -6.130 1.575 1.00 0.00 H new ATOM 0 HA LEU A 17 4.267 -7.099 2.177 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.510 -5.990 -0.380 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.799 -6.334 -0.229 1.00 0.00 H new ATOM 0 HG LEU A 17 5.304 -4.515 1.708 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.274 -2.643 0.423 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.361 -3.603 -0.609 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.598 -3.815 -0.734 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.026 -3.739 2.307 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.324 -4.900 1.155 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.202 -5.487 2.588 1.00 0.00 H new ATOM 265 N VAL A 18 5.953 -8.889 -0.024 1.00 0.00 N ATOM 266 CA VAL A 18 5.944 -10.211 -0.714 1.00 0.00 C ATOM 267 C VAL A 18 6.000 -11.346 0.316 1.00 0.00 C ATOM 268 O VAL A 18 5.341 -12.357 0.178 1.00 0.00 O ATOM 269 CB VAL A 18 7.169 -10.298 -1.635 1.00 0.00 C ATOM 270 CG1 VAL A 18 7.314 -11.720 -2.191 1.00 0.00 C ATOM 271 CG2 VAL A 18 7.011 -9.307 -2.794 1.00 0.00 C ATOM 0 H VAL A 18 6.794 -8.331 -0.169 1.00 0.00 H new ATOM 0 HA VAL A 18 5.028 -10.309 -1.296 1.00 0.00 H new ATOM 0 HB VAL A 18 8.062 -10.050 -1.061 1.00 0.00 H new ATOM 0 HG11 VAL A 18 8.186 -11.769 -2.843 1.00 0.00 H new ATOM 0 HG12 VAL A 18 7.437 -12.422 -1.367 1.00 0.00 H new ATOM 0 HG13 VAL A 18 6.421 -11.981 -2.760 1.00 0.00 H new ATOM 0 HG21 VAL A 18 7.881 -9.369 -3.447 1.00 0.00 H new ATOM 0 HG22 VAL A 18 6.113 -9.551 -3.361 1.00 0.00 H new ATOM 0 HG23 VAL A 18 6.926 -8.295 -2.398 1.00 0.00 H new ATOM 281 N ASN A 19 6.801 -11.195 1.332 1.00 0.00 N ATOM 282 CA ASN A 19 6.932 -12.274 2.354 1.00 0.00 C ATOM 283 C ASN A 19 5.584 -12.567 3.029 1.00 0.00 C ATOM 284 O ASN A 19 5.260 -13.706 3.304 1.00 0.00 O ATOM 285 CB ASN A 19 7.942 -11.835 3.418 1.00 0.00 C ATOM 286 CG ASN A 19 8.098 -12.944 4.462 1.00 0.00 C ATOM 287 OD1 ASN A 19 7.742 -14.079 4.216 1.00 0.00 O ATOM 288 ND2 ASN A 19 8.624 -12.663 5.624 1.00 0.00 N ATOM 0 H ASN A 19 7.374 -10.368 1.501 1.00 0.00 H new ATOM 0 HA ASN A 19 7.271 -13.182 1.856 1.00 0.00 H new ATOM 0 HB2 ASN A 19 8.905 -11.620 2.954 1.00 0.00 H new ATOM 0 HB3 ASN A 19 7.606 -10.915 3.896 1.00 0.00 H new ATOM 0 HD21 ASN A 19 8.736 -13.396 6.324 1.00 0.00 H new ATOM 0 HD22 ASN A 19 8.923 -11.710 5.831 1.00 0.00 H new ATOM 295 N ILE A 20 4.805 -11.560 3.322 1.00 0.00 N ATOM 296 CA ILE A 20 3.499 -11.807 4.009 1.00 0.00 C ATOM 297 C ILE A 20 2.431 -12.336 3.042 1.00 0.00 C ATOM 298 O ILE A 20 1.448 -12.899 3.471 1.00 0.00 O ATOM 299 CB ILE A 20 2.999 -10.517 4.667 1.00 0.00 C ATOM 300 CG1 ILE A 20 2.848 -9.415 3.617 1.00 0.00 C ATOM 301 CG2 ILE A 20 3.997 -10.067 5.736 1.00 0.00 C ATOM 302 CD1 ILE A 20 2.119 -8.224 4.238 1.00 0.00 C ATOM 0 H ILE A 20 5.012 -10.582 3.118 1.00 0.00 H new ATOM 0 HA ILE A 20 3.671 -12.570 4.769 1.00 0.00 H new ATOM 0 HB ILE A 20 2.029 -10.707 5.127 1.00 0.00 H new ATOM 0 HG12 ILE A 20 3.828 -9.107 3.253 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.292 -9.789 2.758 1.00 0.00 H new ATOM 0 HG21 ILE A 20 3.640 -9.149 6.203 1.00 0.00 H new ATOM 0 HG22 ILE A 20 4.095 -10.845 6.493 1.00 0.00 H new ATOM 0 HG23 ILE A 20 4.968 -9.886 5.274 1.00 0.00 H new ATOM 0 HD11 ILE A 20 2.009 -7.436 3.493 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.134 -8.539 4.581 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.694 -7.846 5.084 1.00 0.00 H new ATOM 314 N THR A 21 2.590 -12.155 1.751 1.00 0.00 N ATOM 315 CA THR A 21 1.540 -12.652 0.794 1.00 0.00 C ATOM 316 C THR A 21 1.944 -14.011 0.213 1.00 0.00 C ATOM 317 O THR A 21 1.113 -14.764 -0.251 1.00 0.00 O ATOM 318 CB THR A 21 1.382 -11.658 -0.365 1.00 0.00 C ATOM 319 OG1 THR A 21 2.646 -11.449 -0.978 1.00 0.00 O ATOM 320 CG2 THR A 21 0.833 -10.322 0.145 1.00 0.00 C ATOM 0 H THR A 21 3.390 -11.691 1.320 1.00 0.00 H new ATOM 0 HA THR A 21 0.601 -12.751 1.339 1.00 0.00 H new ATOM 0 HB THR A 21 0.680 -12.069 -1.091 1.00 0.00 H new ATOM 0 HG1 THR A 21 3.154 -10.788 -0.463 1.00 0.00 H new ATOM 0 HG21 THR A 21 0.727 -9.629 -0.690 1.00 0.00 H new ATOM 0 HG22 THR A 21 -0.140 -10.482 0.609 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.521 -9.903 0.879 1.00 0.00 H new ATOM 328 N GLN A 22 3.207 -14.332 0.221 1.00 0.00 N ATOM 329 CA GLN A 22 3.642 -15.644 -0.344 1.00 0.00 C ATOM 330 C GLN A 22 3.331 -16.787 0.627 1.00 0.00 C ATOM 331 O GLN A 22 2.921 -17.859 0.226 1.00 0.00 O ATOM 332 CB GLN A 22 5.147 -15.601 -0.607 1.00 0.00 C ATOM 333 CG GLN A 22 5.428 -14.716 -1.821 1.00 0.00 C ATOM 334 CD GLN A 22 4.959 -15.432 -3.087 1.00 0.00 C ATOM 335 OE1 GLN A 22 5.190 -16.613 -3.252 1.00 0.00 O ATOM 336 NE2 GLN A 22 4.303 -14.763 -3.995 1.00 0.00 N ATOM 0 H GLN A 22 3.956 -13.747 0.592 1.00 0.00 H new ATOM 0 HA GLN A 22 3.100 -15.821 -1.273 1.00 0.00 H new ATOM 0 HB2 GLN A 22 5.669 -15.213 0.268 1.00 0.00 H new ATOM 0 HB3 GLN A 22 5.525 -16.608 -0.783 1.00 0.00 H new ATOM 0 HG2 GLN A 22 4.912 -13.761 -1.717 1.00 0.00 H new ATOM 0 HG3 GLN A 22 6.494 -14.497 -1.887 1.00 0.00 H new ATOM 0 HE21 GLN A 22 4.109 -13.771 -3.857 1.00 0.00 H new ATOM 0 HE22 GLN A 22 3.984 -15.232 -4.843 1.00 0.00 H new ATOM 345 N ASN A 23 3.538 -16.576 1.897 1.00 0.00 N ATOM 346 CA ASN A 23 3.276 -17.659 2.897 1.00 0.00 C ATOM 347 C ASN A 23 1.861 -17.529 3.468 1.00 0.00 C ATOM 348 O ASN A 23 1.531 -18.144 4.463 1.00 0.00 O ATOM 349 CB ASN A 23 4.297 -17.550 4.034 1.00 0.00 C ATOM 350 CG ASN A 23 5.684 -17.950 3.520 1.00 0.00 C ATOM 351 OD1 ASN A 23 5.801 -18.758 2.620 1.00 0.00 O ATOM 352 ND2 ASN A 23 6.747 -17.416 4.058 1.00 0.00 N ATOM 0 H ASN A 23 3.878 -15.699 2.291 1.00 0.00 H new ATOM 0 HA ASN A 23 3.367 -18.627 2.405 1.00 0.00 H new ATOM 0 HB2 ASN A 23 4.321 -16.530 4.418 1.00 0.00 H new ATOM 0 HB3 ASN A 23 4.005 -18.196 4.862 1.00 0.00 H new ATOM 0 HD21 ASN A 23 7.674 -17.677 3.723 1.00 0.00 H new ATOM 0 HD22 ASN A 23 6.650 -16.738 4.814 1.00 0.00 H new ATOM 359 N GLN A 24 1.021 -16.736 2.858 1.00 0.00 N ATOM 360 CA GLN A 24 -0.367 -16.581 3.386 1.00 0.00 C ATOM 361 C GLN A 24 -1.251 -17.719 2.869 1.00 0.00 C ATOM 362 O GLN A 24 -1.293 -17.996 1.687 1.00 0.00 O ATOM 363 CB GLN A 24 -0.942 -15.223 2.942 1.00 0.00 C ATOM 364 CG GLN A 24 -1.447 -15.286 1.492 1.00 0.00 C ATOM 365 CD GLN A 24 -1.744 -13.871 0.997 1.00 0.00 C ATOM 366 OE1 GLN A 24 -1.849 -13.639 -0.191 1.00 0.00 O ATOM 367 NE2 GLN A 24 -1.886 -12.908 1.866 1.00 0.00 N ATOM 0 H GLN A 24 1.233 -16.192 2.022 1.00 0.00 H new ATOM 0 HA GLN A 24 -0.343 -16.619 4.475 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -1.760 -14.937 3.603 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -0.176 -14.453 3.031 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -0.699 -15.757 0.855 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -2.346 -15.900 1.435 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -1.798 -13.104 2.863 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -2.085 -11.960 1.548 1.00 0.00 H new ATOM 376 N LYS A 25 -1.976 -18.362 3.741 1.00 0.00 N ATOM 377 CA LYS A 25 -2.880 -19.459 3.297 1.00 0.00 C ATOM 378 C LYS A 25 -4.235 -18.842 2.945 1.00 0.00 C ATOM 379 O LYS A 25 -4.534 -18.587 1.795 1.00 0.00 O ATOM 380 CB LYS A 25 -3.053 -20.452 4.449 1.00 0.00 C ATOM 381 CG LYS A 25 -3.973 -21.596 4.027 1.00 0.00 C ATOM 382 CD LYS A 25 -4.133 -22.562 5.200 1.00 0.00 C ATOM 383 CE LYS A 25 -5.052 -23.714 4.795 1.00 0.00 C ATOM 384 NZ LYS A 25 -4.347 -24.582 3.811 1.00 0.00 N ATOM 0 H LYS A 25 -1.981 -18.175 4.744 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.467 -19.977 2.431 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -2.082 -20.848 4.746 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -3.469 -19.943 5.318 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -4.945 -21.206 3.725 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -3.556 -22.116 3.165 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -3.159 -22.949 5.501 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -4.548 -22.038 6.061 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -5.335 -24.295 5.673 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -5.973 -23.325 4.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -4.840 -25.495 3.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -4.338 -24.117 2.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -3.369 -24.742 4.127 1.00 0.00 H new ATOM 398 N ALA A 26 -5.042 -18.570 3.936 1.00 0.00 N ATOM 399 CA ALA A 26 -6.367 -17.935 3.677 1.00 0.00 C ATOM 400 C ALA A 26 -6.154 -16.415 3.595 1.00 0.00 C ATOM 401 O ALA A 26 -5.167 -15.908 4.090 1.00 0.00 O ATOM 402 CB ALA A 26 -7.332 -18.282 4.833 1.00 0.00 C ATOM 0 H ALA A 26 -4.840 -18.761 4.917 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.799 -18.299 2.745 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -8.302 -17.820 4.648 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -7.451 -19.364 4.895 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.925 -17.907 5.772 1.00 0.00 H new ATOM 408 N PRO A 27 -7.065 -15.683 3.000 1.00 0.00 N ATOM 409 CA PRO A 27 -6.905 -14.210 2.917 1.00 0.00 C ATOM 410 C PRO A 27 -6.504 -13.629 4.280 1.00 0.00 C ATOM 411 O PRO A 27 -6.994 -14.055 5.307 1.00 0.00 O ATOM 412 CB PRO A 27 -8.311 -13.749 2.485 1.00 0.00 C ATOM 413 CG PRO A 27 -9.117 -14.993 2.048 1.00 0.00 C ATOM 414 CD PRO A 27 -8.292 -16.253 2.381 1.00 0.00 C ATOM 0 HA PRO A 27 -6.122 -13.885 2.232 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -8.814 -13.241 3.308 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -8.241 -13.035 1.665 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -10.077 -15.022 2.563 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -9.329 -14.951 0.980 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -8.822 -16.915 3.066 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -8.063 -16.835 1.488 1.00 0.00 H new ATOM 422 N LEU A 28 -5.617 -12.674 4.311 1.00 0.00 N ATOM 423 CA LEU A 28 -5.210 -12.112 5.627 1.00 0.00 C ATOM 424 C LEU A 28 -6.437 -11.511 6.309 1.00 0.00 C ATOM 425 O LEU A 28 -6.730 -11.803 7.451 1.00 0.00 O ATOM 426 CB LEU A 28 -4.155 -11.023 5.419 1.00 0.00 C ATOM 427 CG LEU A 28 -2.918 -11.614 4.731 1.00 0.00 C ATOM 428 CD1 LEU A 28 -1.929 -10.486 4.427 1.00 0.00 C ATOM 429 CD2 LEU A 28 -2.246 -12.658 5.645 1.00 0.00 C ATOM 0 H LEU A 28 -5.163 -12.264 3.495 1.00 0.00 H new ATOM 0 HA LEU A 28 -4.789 -12.901 6.250 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.568 -10.217 4.813 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -3.875 -10.589 6.379 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.221 -12.103 3.805 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.046 -10.898 3.938 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.401 -9.756 3.770 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.634 -10.000 5.357 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.370 -13.069 5.144 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.942 -12.183 6.578 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.951 -13.461 5.860 1.00 0.00 H new ATOM 441 N CYS A 29 -7.169 -10.687 5.611 1.00 0.00 N ATOM 442 CA CYS A 29 -8.392 -10.080 6.211 1.00 0.00 C ATOM 443 C CYS A 29 -9.570 -11.029 6.023 1.00 0.00 C ATOM 444 O CYS A 29 -9.513 -11.960 5.245 1.00 0.00 O ATOM 445 CB CYS A 29 -8.710 -8.757 5.519 1.00 0.00 C ATOM 446 SG CYS A 29 -7.493 -7.513 6.004 1.00 0.00 S ATOM 0 H CYS A 29 -6.973 -10.407 4.650 1.00 0.00 H new ATOM 0 HA CYS A 29 -8.217 -9.903 7.272 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -8.699 -8.889 4.437 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -9.712 -8.425 5.790 1.00 0.00 H new ATOM 451 N ASN A 30 -10.643 -10.790 6.717 1.00 0.00 N ATOM 452 CA ASN A 30 -11.837 -11.664 6.570 1.00 0.00 C ATOM 453 C ASN A 30 -12.442 -11.463 5.175 1.00 0.00 C ATOM 454 O ASN A 30 -13.646 -11.424 5.008 1.00 0.00 O ATOM 455 CB ASN A 30 -12.862 -11.294 7.643 1.00 0.00 C ATOM 456 CG ASN A 30 -12.307 -11.673 9.018 1.00 0.00 C ATOM 457 OD1 ASN A 30 -11.442 -12.521 9.125 1.00 0.00 O ATOM 458 ND2 ASN A 30 -12.763 -11.070 10.081 1.00 0.00 N ATOM 0 H ASN A 30 -10.746 -10.024 7.383 1.00 0.00 H new ATOM 0 HA ASN A 30 -11.552 -12.709 6.689 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -13.077 -10.226 7.606 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -13.802 -11.815 7.460 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -12.394 -11.310 11.001 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -13.489 -10.359 9.992 1.00 0.00 H new ATOM 465 N GLY A 31 -11.612 -11.332 4.170 1.00 0.00 N ATOM 466 CA GLY A 31 -12.131 -11.130 2.785 1.00 0.00 C ATOM 467 C GLY A 31 -12.512 -9.661 2.590 1.00 0.00 C ATOM 468 O GLY A 31 -13.350 -9.330 1.775 1.00 0.00 O ATOM 0 H GLY A 31 -10.595 -11.357 4.251 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -11.374 -11.420 2.056 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -12.999 -11.767 2.614 1.00 0.00 H new ATOM 472 N SER A 32 -11.907 -8.778 3.337 1.00 0.00 N ATOM 473 CA SER A 32 -12.235 -7.328 3.204 1.00 0.00 C ATOM 474 C SER A 32 -11.837 -6.815 1.819 1.00 0.00 C ATOM 475 O SER A 32 -10.842 -7.227 1.247 1.00 0.00 O ATOM 476 CB SER A 32 -11.480 -6.538 4.269 1.00 0.00 C ATOM 477 OG SER A 32 -11.948 -6.926 5.553 1.00 0.00 O ATOM 0 H SER A 32 -11.197 -8.998 4.036 1.00 0.00 H new ATOM 0 HA SER A 32 -13.309 -7.198 3.334 1.00 0.00 H new ATOM 0 HB2 SER A 32 -10.409 -6.724 4.187 1.00 0.00 H new ATOM 0 HB3 SER A 32 -11.630 -5.469 4.121 1.00 0.00 H new ATOM 0 HG SER A 32 -11.466 -6.423 6.243 1.00 0.00 H new ATOM 483 N MET A 33 -12.612 -5.902 1.282 1.00 0.00 N ATOM 484 CA MET A 33 -12.305 -5.324 -0.062 1.00 0.00 C ATOM 485 C MET A 33 -11.931 -3.846 0.113 1.00 0.00 C ATOM 486 O MET A 33 -12.295 -3.222 1.090 1.00 0.00 O ATOM 487 CB MET A 33 -13.537 -5.451 -0.962 1.00 0.00 C ATOM 488 CG MET A 33 -13.902 -6.931 -1.106 1.00 0.00 C ATOM 489 SD MET A 33 -15.350 -7.101 -2.181 1.00 0.00 S ATOM 490 CE MET A 33 -14.571 -6.569 -3.729 1.00 0.00 C ATOM 0 H MET A 33 -13.453 -5.530 1.724 1.00 0.00 H new ATOM 0 HA MET A 33 -11.475 -5.859 -0.523 1.00 0.00 H new ATOM 0 HB2 MET A 33 -14.373 -4.897 -0.535 1.00 0.00 H new ATOM 0 HB3 MET A 33 -13.334 -5.017 -1.941 1.00 0.00 H new ATOM 0 HG2 MET A 33 -13.060 -7.484 -1.523 1.00 0.00 H new ATOM 0 HG3 MET A 33 -14.112 -7.361 -0.126 1.00 0.00 H new ATOM 0 HE1 MET A 33 -15.099 -7.013 -4.573 1.00 0.00 H new ATOM 0 HE2 MET A 33 -14.616 -5.483 -3.804 1.00 0.00 H new ATOM 0 HE3 MET A 33 -13.530 -6.891 -3.742 1.00 0.00 H new ATOM 500 N VAL A 34 -11.197 -3.285 -0.819 1.00 0.00 N ATOM 501 CA VAL A 34 -10.781 -1.846 -0.708 1.00 0.00 C ATOM 502 C VAL A 34 -11.100 -1.110 -2.005 1.00 0.00 C ATOM 503 O VAL A 34 -11.278 -1.709 -3.047 1.00 0.00 O ATOM 504 CB VAL A 34 -9.277 -1.771 -0.441 1.00 0.00 C ATOM 505 CG1 VAL A 34 -8.976 -2.375 0.927 1.00 0.00 C ATOM 506 CG2 VAL A 34 -8.525 -2.565 -1.508 1.00 0.00 C ATOM 0 H VAL A 34 -10.866 -3.763 -1.657 1.00 0.00 H new ATOM 0 HA VAL A 34 -11.325 -1.379 0.113 1.00 0.00 H new ATOM 0 HB VAL A 34 -8.959 -0.729 -0.467 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -7.904 -2.323 1.120 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -9.511 -1.818 1.696 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -9.297 -3.416 0.944 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -7.454 -2.510 -1.315 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -8.845 -3.606 -1.480 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -8.739 -2.146 -2.491 1.00 0.00 H new ATOM 516 N TRP A 35 -11.176 0.191 -1.942 1.00 0.00 N ATOM 517 CA TRP A 35 -11.490 0.985 -3.161 1.00 0.00 C ATOM 518 C TRP A 35 -10.293 0.967 -4.110 1.00 0.00 C ATOM 519 O TRP A 35 -9.164 1.170 -3.706 1.00 0.00 O ATOM 520 CB TRP A 35 -11.774 2.436 -2.763 1.00 0.00 C ATOM 521 CG TRP A 35 -13.101 2.543 -2.086 1.00 0.00 C ATOM 522 CD1 TRP A 35 -13.301 2.487 -0.750 1.00 0.00 C ATOM 523 CD2 TRP A 35 -14.412 2.738 -2.687 1.00 0.00 C ATOM 524 NE1 TRP A 35 -14.649 2.645 -0.492 1.00 0.00 N ATOM 525 CE2 TRP A 35 -15.377 2.800 -1.654 1.00 0.00 C ATOM 526 CE3 TRP A 35 -14.852 2.866 -4.014 1.00 0.00 C ATOM 527 CZ2 TRP A 35 -16.731 2.985 -1.929 1.00 0.00 C ATOM 528 CZ3 TRP A 35 -16.215 3.050 -4.296 1.00 0.00 C ATOM 529 CH2 TRP A 35 -17.152 3.111 -3.255 1.00 0.00 C ATOM 0 H TRP A 35 -11.033 0.740 -1.094 1.00 0.00 H new ATOM 0 HA TRP A 35 -12.361 0.552 -3.654 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -10.990 2.797 -2.098 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -11.759 3.072 -3.648 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -12.532 2.342 -0.006 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -15.056 2.647 0.443 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -14.138 2.823 -4.823 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -17.449 3.031 -1.123 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -16.543 3.145 -5.320 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -18.199 3.255 -3.478 1.00 0.00 H new ATOM 540 N SER A 36 -10.531 0.744 -5.372 1.00 0.00 N ATOM 541 CA SER A 36 -9.405 0.736 -6.341 1.00 0.00 C ATOM 542 C SER A 36 -8.888 2.168 -6.494 1.00 0.00 C ATOM 543 O SER A 36 -9.638 3.119 -6.389 1.00 0.00 O ATOM 544 CB SER A 36 -9.889 0.214 -7.696 1.00 0.00 C ATOM 545 OG SER A 36 -8.777 0.086 -8.571 1.00 0.00 O ATOM 0 H SER A 36 -11.453 0.568 -5.771 1.00 0.00 H new ATOM 0 HA SER A 36 -8.608 0.086 -5.980 1.00 0.00 H new ATOM 0 HB2 SER A 36 -10.383 -0.750 -7.573 1.00 0.00 H new ATOM 0 HB3 SER A 36 -10.625 0.897 -8.121 1.00 0.00 H new ATOM 0 HG SER A 36 -9.081 -0.250 -9.440 1.00 0.00 H new ATOM 551 N ILE A 37 -7.614 2.329 -6.738 1.00 0.00 N ATOM 552 CA ILE A 37 -7.029 3.699 -6.899 1.00 0.00 C ATOM 553 C ILE A 37 -6.193 3.749 -8.176 1.00 0.00 C ATOM 554 O ILE A 37 -5.777 2.733 -8.698 1.00 0.00 O ATOM 555 CB ILE A 37 -6.139 4.016 -5.694 1.00 0.00 C ATOM 556 CG1 ILE A 37 -5.161 2.854 -5.453 1.00 0.00 C ATOM 557 CG2 ILE A 37 -7.016 4.221 -4.455 1.00 0.00 C ATOM 558 CD1 ILE A 37 -3.976 3.341 -4.612 1.00 0.00 C ATOM 0 H ILE A 37 -6.945 1.565 -6.834 1.00 0.00 H new ATOM 0 HA ILE A 37 -7.832 4.433 -6.962 1.00 0.00 H new ATOM 0 HB ILE A 37 -5.571 4.925 -5.890 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -5.671 2.037 -4.942 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -4.806 2.461 -6.406 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -6.385 4.447 -3.596 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -7.703 5.049 -4.628 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -7.586 3.313 -4.258 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -3.285 2.515 -4.443 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -3.460 4.143 -5.140 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -4.338 3.712 -3.653 1.00 0.00 H new ATOM 570 N ASN A 38 -5.932 4.924 -8.678 1.00 0.00 N ATOM 571 CA ASN A 38 -5.111 5.042 -9.914 1.00 0.00 C ATOM 572 C ASN A 38 -3.638 5.016 -9.515 1.00 0.00 C ATOM 573 O ASN A 38 -3.173 5.850 -8.764 1.00 0.00 O ATOM 574 CB ASN A 38 -5.435 6.364 -10.618 1.00 0.00 C ATOM 575 CG ASN A 38 -5.004 7.540 -9.737 1.00 0.00 C ATOM 576 OD1 ASN A 38 -4.929 7.417 -8.531 1.00 0.00 O ATOM 577 ND2 ASN A 38 -4.715 8.686 -10.296 1.00 0.00 N ATOM 0 H ASN A 38 -6.253 5.809 -8.284 1.00 0.00 H new ATOM 0 HA ASN A 38 -5.328 4.218 -10.594 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -4.922 6.410 -11.579 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -6.504 6.425 -10.824 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -4.427 9.476 -9.719 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -4.778 8.790 -11.309 1.00 0.00 H new ATOM 584 N LEU A 39 -2.901 4.053 -9.990 1.00 0.00 N ATOM 585 CA LEU A 39 -1.465 3.968 -9.611 1.00 0.00 C ATOM 586 C LEU A 39 -0.665 4.953 -10.468 1.00 0.00 C ATOM 587 O LEU A 39 -0.504 4.766 -11.658 1.00 0.00 O ATOM 588 CB LEU A 39 -0.949 2.538 -9.848 1.00 0.00 C ATOM 589 CG LEU A 39 -1.544 1.545 -8.822 1.00 0.00 C ATOM 590 CD1 LEU A 39 -0.938 1.775 -7.430 1.00 0.00 C ATOM 591 CD2 LEU A 39 -3.069 1.696 -8.748 1.00 0.00 C ATOM 0 H LEU A 39 -3.230 3.323 -10.622 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.348 4.217 -8.556 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.208 2.219 -10.858 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.139 2.526 -9.779 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.301 0.535 -9.153 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.370 1.066 -6.723 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.141 1.630 -7.475 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.155 2.792 -7.102 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -3.470 0.989 -8.021 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.320 2.712 -8.443 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.503 1.494 -9.727 1.00 0.00 H new ATOM 603 N THR A 40 -0.167 6.009 -9.872 1.00 0.00 N ATOM 604 CA THR A 40 0.619 7.016 -10.650 1.00 0.00 C ATOM 605 C THR A 40 1.757 7.575 -9.789 1.00 0.00 C ATOM 606 O THR A 40 2.796 6.961 -9.639 1.00 0.00 O ATOM 607 CB THR A 40 -0.303 8.166 -11.065 1.00 0.00 C ATOM 608 OG1 THR A 40 -0.857 8.767 -9.903 1.00 0.00 O ATOM 609 CG2 THR A 40 -1.427 7.629 -11.950 1.00 0.00 C ATOM 0 H THR A 40 -0.271 6.217 -8.879 1.00 0.00 H new ATOM 0 HA THR A 40 1.038 6.534 -11.533 1.00 0.00 H new ATOM 0 HB THR A 40 0.269 8.908 -11.622 1.00 0.00 H new ATOM 0 HG1 THR A 40 -0.909 9.737 -10.030 1.00 0.00 H new ATOM 0 HG21 THR A 40 -2.082 8.449 -12.244 1.00 0.00 H new ATOM 0 HG22 THR A 40 -1.000 7.168 -12.841 1.00 0.00 H new ATOM 0 HG23 THR A 40 -2.002 6.886 -11.397 1.00 0.00 H new ATOM 617 N ALA A 41 1.572 8.750 -9.239 1.00 0.00 N ATOM 618 CA ALA A 41 2.640 9.381 -8.400 1.00 0.00 C ATOM 619 C ALA A 41 2.327 9.219 -6.905 1.00 0.00 C ATOM 620 O ALA A 41 2.913 8.398 -6.226 1.00 0.00 O ATOM 621 CB ALA A 41 2.719 10.870 -8.743 1.00 0.00 C ATOM 0 H ALA A 41 0.721 9.304 -9.336 1.00 0.00 H new ATOM 0 HA ALA A 41 3.591 8.890 -8.608 1.00 0.00 H new ATOM 0 HB1 ALA A 41 3.494 11.342 -8.139 1.00 0.00 H new ATOM 0 HB2 ALA A 41 2.961 10.988 -9.799 1.00 0.00 H new ATOM 0 HB3 ALA A 41 1.759 11.343 -8.536 1.00 0.00 H new ATOM 627 N GLY A 42 1.426 10.012 -6.383 1.00 0.00 N ATOM 628 CA GLY A 42 1.092 9.922 -4.928 1.00 0.00 C ATOM 629 C GLY A 42 0.420 8.583 -4.617 1.00 0.00 C ATOM 630 O GLY A 42 -0.602 8.526 -3.963 1.00 0.00 O ATOM 0 H GLY A 42 0.906 10.719 -6.902 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.999 10.028 -4.333 1.00 0.00 H new ATOM 0 HA3 GLY A 42 0.430 10.742 -4.649 1.00 0.00 H new ATOM 634 N MET A 43 0.988 7.508 -5.078 1.00 0.00 N ATOM 635 CA MET A 43 0.394 6.170 -4.809 1.00 0.00 C ATOM 636 C MET A 43 0.425 5.889 -3.306 1.00 0.00 C ATOM 637 O MET A 43 -0.480 5.296 -2.753 1.00 0.00 O ATOM 638 CB MET A 43 1.211 5.104 -5.532 1.00 0.00 C ATOM 639 CG MET A 43 1.171 5.377 -7.032 1.00 0.00 C ATOM 640 SD MET A 43 1.907 3.984 -7.920 1.00 0.00 S ATOM 641 CE MET A 43 3.560 4.107 -7.198 1.00 0.00 C ATOM 0 H MET A 43 1.844 7.497 -5.633 1.00 0.00 H new ATOM 0 HA MET A 43 -0.637 6.152 -5.163 1.00 0.00 H new ATOM 0 HB2 MET A 43 2.241 5.113 -5.175 1.00 0.00 H new ATOM 0 HB3 MET A 43 0.809 4.113 -5.319 1.00 0.00 H new ATOM 0 HG2 MET A 43 0.142 5.526 -7.358 1.00 0.00 H new ATOM 0 HG3 MET A 43 1.714 6.294 -7.260 1.00 0.00 H new ATOM 0 HE1 MET A 43 4.286 3.653 -7.872 1.00 0.00 H new ATOM 0 HE2 MET A 43 3.813 5.156 -7.045 1.00 0.00 H new ATOM 0 HE3 MET A 43 3.579 3.586 -6.241 1.00 0.00 H new ATOM 651 N TYR A 44 1.477 6.294 -2.647 1.00 0.00 N ATOM 652 CA TYR A 44 1.595 6.035 -1.184 1.00 0.00 C ATOM 653 C TYR A 44 0.427 6.683 -0.439 1.00 0.00 C ATOM 654 O TYR A 44 -0.232 6.053 0.365 1.00 0.00 O ATOM 655 CB TYR A 44 2.902 6.644 -0.672 1.00 0.00 C ATOM 656 CG TYR A 44 4.084 5.902 -1.249 1.00 0.00 C ATOM 657 CD1 TYR A 44 4.573 4.756 -0.608 1.00 0.00 C ATOM 658 CD2 TYR A 44 4.701 6.370 -2.416 1.00 0.00 C ATOM 659 CE1 TYR A 44 5.679 4.079 -1.137 1.00 0.00 C ATOM 660 CE2 TYR A 44 5.805 5.691 -2.945 1.00 0.00 C ATOM 661 CZ TYR A 44 6.294 4.546 -2.305 1.00 0.00 C ATOM 662 OH TYR A 44 7.385 3.880 -2.821 1.00 0.00 O ATOM 0 H TYR A 44 2.263 6.795 -3.061 1.00 0.00 H new ATOM 0 HA TYR A 44 1.583 4.959 -1.011 1.00 0.00 H new ATOM 0 HB2 TYR A 44 2.954 7.697 -0.949 1.00 0.00 H new ATOM 0 HB3 TYR A 44 2.931 6.599 0.417 1.00 0.00 H new ATOM 0 HD1 TYR A 44 4.098 4.395 0.292 1.00 0.00 H new ATOM 0 HD2 TYR A 44 4.325 7.255 -2.908 1.00 0.00 H new ATOM 0 HE1 TYR A 44 6.058 3.196 -0.644 1.00 0.00 H new ATOM 0 HE2 TYR A 44 6.279 6.050 -3.846 1.00 0.00 H new ATOM 0 HH TYR A 44 7.691 4.334 -3.634 1.00 0.00 H new ATOM 672 N CYS A 45 0.164 7.934 -0.692 1.00 0.00 N ATOM 673 CA CYS A 45 -0.962 8.609 0.012 1.00 0.00 C ATOM 674 C CYS A 45 -2.285 7.990 -0.440 1.00 0.00 C ATOM 675 O CYS A 45 -3.146 7.685 0.362 1.00 0.00 O ATOM 676 CB CYS A 45 -0.956 10.102 -0.316 1.00 0.00 C ATOM 677 SG CYS A 45 0.645 10.811 0.148 1.00 0.00 S ATOM 0 H CYS A 45 0.677 8.517 -1.353 1.00 0.00 H new ATOM 0 HA CYS A 45 -0.847 8.479 1.088 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -1.139 10.253 -1.380 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -1.759 10.607 0.220 1.00 0.00 H new ATOM 682 N ALA A 46 -2.453 7.802 -1.719 1.00 0.00 N ATOM 683 CA ALA A 46 -3.718 7.203 -2.222 1.00 0.00 C ATOM 684 C ALA A 46 -3.893 5.806 -1.622 1.00 0.00 C ATOM 685 O ALA A 46 -4.958 5.439 -1.164 1.00 0.00 O ATOM 686 CB ALA A 46 -3.657 7.094 -3.746 1.00 0.00 C ATOM 0 H ALA A 46 -1.768 8.038 -2.437 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.559 7.833 -1.933 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -4.583 6.655 -4.117 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -3.528 8.087 -4.177 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.816 6.462 -4.032 1.00 0.00 H new ATOM 692 N ALA A 47 -2.854 5.023 -1.628 1.00 0.00 N ATOM 693 CA ALA A 47 -2.955 3.650 -1.065 1.00 0.00 C ATOM 694 C ALA A 47 -3.294 3.721 0.429 1.00 0.00 C ATOM 695 O ALA A 47 -4.078 2.942 0.935 1.00 0.00 O ATOM 696 CB ALA A 47 -1.615 2.924 -1.258 1.00 0.00 C ATOM 0 H ALA A 47 -1.938 5.274 -1.999 1.00 0.00 H new ATOM 0 HA ALA A 47 -3.745 3.104 -1.581 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -1.684 1.917 -0.847 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -1.382 2.867 -2.321 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.826 3.473 -0.743 1.00 0.00 H new ATOM 702 N LEU A 48 -2.697 4.639 1.139 1.00 0.00 N ATOM 703 CA LEU A 48 -2.963 4.750 2.604 1.00 0.00 C ATOM 704 C LEU A 48 -4.449 5.030 2.877 1.00 0.00 C ATOM 705 O LEU A 48 -5.061 4.372 3.693 1.00 0.00 O ATOM 706 CB LEU A 48 -2.099 5.882 3.180 1.00 0.00 C ATOM 707 CG LEU A 48 -2.408 6.107 4.669 1.00 0.00 C ATOM 708 CD1 LEU A 48 -2.145 4.822 5.468 1.00 0.00 C ATOM 709 CD2 LEU A 48 -1.502 7.226 5.192 1.00 0.00 C ATOM 0 H LEU A 48 -2.034 5.320 0.768 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.710 3.805 3.084 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.044 5.638 3.057 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.280 6.802 2.624 1.00 0.00 H new ATOM 0 HG LEU A 48 -3.456 6.382 4.785 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.368 4.996 6.521 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.781 4.022 5.090 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.099 4.535 5.361 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -1.709 7.398 6.248 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.458 6.936 5.069 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.693 8.141 4.631 1.00 0.00 H new ATOM 721 N GLU A 49 -5.037 6.003 2.227 1.00 0.00 N ATOM 722 CA GLU A 49 -6.478 6.303 2.502 1.00 0.00 C ATOM 723 C GLU A 49 -7.351 5.087 2.193 1.00 0.00 C ATOM 724 O GLU A 49 -8.298 4.807 2.900 1.00 0.00 O ATOM 725 CB GLU A 49 -6.956 7.507 1.681 1.00 0.00 C ATOM 726 CG GLU A 49 -6.578 7.332 0.213 1.00 0.00 C ATOM 727 CD GLU A 49 -7.132 8.508 -0.594 1.00 0.00 C ATOM 728 OE1 GLU A 49 -7.969 9.220 -0.065 1.00 0.00 O ATOM 729 OE2 GLU A 49 -6.712 8.675 -1.725 1.00 0.00 O ATOM 0 H GLU A 49 -4.590 6.596 1.527 1.00 0.00 H new ATOM 0 HA GLU A 49 -6.569 6.545 3.561 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.037 7.614 1.775 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -6.510 8.422 2.072 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -5.494 7.282 0.108 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -6.979 6.393 -0.168 1.00 0.00 H new ATOM 736 N SER A 50 -7.054 4.358 1.154 1.00 0.00 N ATOM 737 CA SER A 50 -7.893 3.168 0.836 1.00 0.00 C ATOM 738 C SER A 50 -7.795 2.169 1.989 1.00 0.00 C ATOM 739 O SER A 50 -8.767 1.549 2.374 1.00 0.00 O ATOM 740 CB SER A 50 -7.396 2.508 -0.450 1.00 0.00 C ATOM 741 OG SER A 50 -8.334 1.523 -0.868 1.00 0.00 O ATOM 0 H SER A 50 -6.276 4.531 0.517 1.00 0.00 H new ATOM 0 HA SER A 50 -8.928 3.480 0.699 1.00 0.00 H new ATOM 0 HB2 SER A 50 -7.267 3.258 -1.230 1.00 0.00 H new ATOM 0 HB3 SER A 50 -6.421 2.050 -0.284 1.00 0.00 H new ATOM 0 HG SER A 50 -8.474 1.594 -1.835 1.00 0.00 H new ATOM 747 N LEU A 51 -6.624 2.004 2.539 1.00 0.00 N ATOM 748 CA LEU A 51 -6.455 1.041 3.665 1.00 0.00 C ATOM 749 C LEU A 51 -7.156 1.576 4.920 1.00 0.00 C ATOM 750 O LEU A 51 -7.674 0.821 5.718 1.00 0.00 O ATOM 751 CB LEU A 51 -4.965 0.856 3.963 1.00 0.00 C ATOM 752 CG LEU A 51 -4.277 0.110 2.810 1.00 0.00 C ATOM 753 CD1 LEU A 51 -2.769 0.055 3.084 1.00 0.00 C ATOM 754 CD2 LEU A 51 -4.842 -1.321 2.681 1.00 0.00 C ATOM 0 H LEU A 51 -5.775 2.495 2.257 1.00 0.00 H new ATOM 0 HA LEU A 51 -6.896 0.085 3.383 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -4.493 1.828 4.109 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.840 0.299 4.891 1.00 0.00 H new ATOM 0 HG LEU A 51 -4.464 0.638 1.875 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.270 -0.473 2.271 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.375 1.069 3.154 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.589 -0.470 4.022 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -4.344 -1.836 1.860 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -4.669 -1.866 3.609 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -5.913 -1.273 2.483 1.00 0.00 H new ATOM 766 N ILE A 52 -7.168 2.868 5.107 1.00 0.00 N ATOM 767 CA ILE A 52 -7.828 3.438 6.319 1.00 0.00 C ATOM 768 C ILE A 52 -9.277 2.942 6.394 1.00 0.00 C ATOM 769 O ILE A 52 -9.910 3.018 7.428 1.00 0.00 O ATOM 770 CB ILE A 52 -7.781 4.980 6.254 1.00 0.00 C ATOM 771 CG1 ILE A 52 -6.353 5.481 6.562 1.00 0.00 C ATOM 772 CG2 ILE A 52 -8.770 5.600 7.251 1.00 0.00 C ATOM 773 CD1 ILE A 52 -5.889 5.051 7.968 1.00 0.00 C ATOM 0 H ILE A 52 -6.751 3.552 4.476 1.00 0.00 H new ATOM 0 HA ILE A 52 -7.302 3.111 7.216 1.00 0.00 H new ATOM 0 HB ILE A 52 -8.064 5.286 5.247 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -5.661 5.091 5.815 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -6.324 6.568 6.486 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -8.718 6.687 7.186 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -9.781 5.270 7.013 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -8.514 5.284 8.262 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.880 5.422 8.148 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -6.566 5.463 8.716 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -5.893 3.963 8.035 1.00 0.00 H new ATOM 785 N ASN A 53 -9.804 2.418 5.319 1.00 0.00 N ATOM 786 CA ASN A 53 -11.207 1.906 5.359 1.00 0.00 C ATOM 787 C ASN A 53 -11.193 0.475 5.908 1.00 0.00 C ATOM 788 O ASN A 53 -12.208 -0.060 6.308 1.00 0.00 O ATOM 789 CB ASN A 53 -11.802 1.897 3.945 1.00 0.00 C ATOM 790 CG ASN A 53 -12.031 3.333 3.472 1.00 0.00 C ATOM 791 OD1 ASN A 53 -11.514 3.738 2.450 1.00 0.00 O ATOM 792 ND2 ASN A 53 -12.794 4.124 4.174 1.00 0.00 N ATOM 0 H ASN A 53 -9.329 2.322 4.421 1.00 0.00 H new ATOM 0 HA ASN A 53 -11.812 2.551 5.997 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -11.129 1.382 3.260 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -12.744 1.348 3.940 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -12.957 5.082 3.865 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -13.228 3.784 5.032 1.00 0.00 H new ATOM 799 N VAL A 54 -10.040 -0.144 5.933 1.00 0.00 N ATOM 800 CA VAL A 54 -9.935 -1.541 6.456 1.00 0.00 C ATOM 801 C VAL A 54 -9.590 -1.502 7.948 1.00 0.00 C ATOM 802 O VAL A 54 -8.628 -0.880 8.355 1.00 0.00 O ATOM 803 CB VAL A 54 -8.835 -2.284 5.694 1.00 0.00 C ATOM 804 CG1 VAL A 54 -8.849 -3.766 6.074 1.00 0.00 C ATOM 805 CG2 VAL A 54 -9.087 -2.153 4.193 1.00 0.00 C ATOM 0 H VAL A 54 -9.161 0.261 5.611 1.00 0.00 H new ATOM 0 HA VAL A 54 -10.885 -2.057 6.319 1.00 0.00 H new ATOM 0 HB VAL A 54 -7.867 -1.853 5.950 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -8.064 -4.289 5.528 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -8.676 -3.869 7.145 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -9.817 -4.198 5.820 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -8.306 -2.681 3.646 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -10.057 -2.585 3.948 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -9.078 -1.100 3.913 1.00 0.00 H new ATOM 815 N SER A 55 -10.374 -2.160 8.764 1.00 0.00 N ATOM 816 CA SER A 55 -10.114 -2.174 10.241 1.00 0.00 C ATOM 817 C SER A 55 -10.128 -3.616 10.758 1.00 0.00 C ATOM 818 O SER A 55 -10.795 -4.475 10.217 1.00 0.00 O ATOM 819 CB SER A 55 -11.208 -1.376 10.949 1.00 0.00 C ATOM 820 OG SER A 55 -11.165 -0.025 10.509 1.00 0.00 O ATOM 0 H SER A 55 -11.192 -2.694 8.470 1.00 0.00 H new ATOM 0 HA SER A 55 -9.139 -1.729 10.441 1.00 0.00 H new ATOM 0 HB2 SER A 55 -12.185 -1.809 10.736 1.00 0.00 H new ATOM 0 HB3 SER A 55 -11.067 -1.423 12.029 1.00 0.00 H new ATOM 0 HG SER A 55 -11.867 0.489 10.960 1.00 0.00 H new ATOM 826 N GLY A 56 -9.400 -3.882 11.811 1.00 0.00 N ATOM 827 CA GLY A 56 -9.370 -5.263 12.383 1.00 0.00 C ATOM 828 C GLY A 56 -8.249 -6.078 11.737 1.00 0.00 C ATOM 829 O GLY A 56 -7.926 -7.162 12.183 1.00 0.00 O ATOM 0 H GLY A 56 -8.822 -3.200 12.302 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -9.219 -5.215 13.461 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -10.329 -5.754 12.217 1.00 0.00 H new ATOM 833 N CYS A 57 -7.644 -5.570 10.696 1.00 0.00 N ATOM 834 CA CYS A 57 -6.536 -6.321 10.031 1.00 0.00 C ATOM 835 C CYS A 57 -5.192 -5.798 10.536 1.00 0.00 C ATOM 836 O CYS A 57 -4.618 -4.890 9.971 1.00 0.00 O ATOM 837 CB CYS A 57 -6.610 -6.115 8.519 1.00 0.00 C ATOM 838 SG CYS A 57 -8.067 -6.955 7.858 1.00 0.00 S ATOM 0 H CYS A 57 -7.868 -4.668 10.277 1.00 0.00 H new ATOM 0 HA CYS A 57 -6.633 -7.382 10.263 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -6.657 -5.050 8.290 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -5.709 -6.504 8.045 1.00 0.00 H new ATOM 843 N SER A 58 -4.681 -6.361 11.593 1.00 0.00 N ATOM 844 CA SER A 58 -3.370 -5.893 12.120 1.00 0.00 C ATOM 845 C SER A 58 -2.245 -6.441 11.239 1.00 0.00 C ATOM 846 O SER A 58 -1.174 -5.873 11.154 1.00 0.00 O ATOM 847 CB SER A 58 -3.190 -6.383 13.557 1.00 0.00 C ATOM 848 OG SER A 58 -1.954 -5.899 14.065 1.00 0.00 O ATOM 0 H SER A 58 -5.113 -7.124 12.114 1.00 0.00 H new ATOM 0 HA SER A 58 -3.339 -4.803 12.109 1.00 0.00 H new ATOM 0 HB2 SER A 58 -4.014 -6.034 14.179 1.00 0.00 H new ATOM 0 HB3 SER A 58 -3.208 -7.472 13.587 1.00 0.00 H new ATOM 0 HG SER A 58 -1.835 -6.210 14.987 1.00 0.00 H new ATOM 854 N ALA A 59 -2.483 -7.544 10.588 1.00 0.00 N ATOM 855 CA ALA A 59 -1.436 -8.144 9.712 1.00 0.00 C ATOM 856 C ALA A 59 -0.881 -7.084 8.759 1.00 0.00 C ATOM 857 O ALA A 59 0.164 -7.265 8.165 1.00 0.00 O ATOM 858 CB ALA A 59 -2.049 -9.285 8.899 1.00 0.00 C ATOM 0 H ALA A 59 -3.362 -8.060 10.624 1.00 0.00 H new ATOM 0 HA ALA A 59 -0.626 -8.526 10.333 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -1.286 -9.726 8.258 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -2.438 -10.046 9.576 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -2.861 -8.898 8.283 1.00 0.00 H new ATOM 864 N ILE A 60 -1.573 -5.980 8.603 1.00 0.00 N ATOM 865 CA ILE A 60 -1.095 -4.899 7.681 1.00 0.00 C ATOM 866 C ILE A 60 -0.874 -3.614 8.476 1.00 0.00 C ATOM 867 O ILE A 60 -0.652 -2.561 7.914 1.00 0.00 O ATOM 868 CB ILE A 60 -2.148 -4.655 6.599 1.00 0.00 C ATOM 869 CG1 ILE A 60 -3.505 -4.417 7.258 1.00 0.00 C ATOM 870 CG2 ILE A 60 -2.233 -5.877 5.683 1.00 0.00 C ATOM 871 CD1 ILE A 60 -4.562 -4.158 6.183 1.00 0.00 C ATOM 0 H ILE A 60 -2.454 -5.780 9.077 1.00 0.00 H new ATOM 0 HA ILE A 60 -0.157 -5.203 7.216 1.00 0.00 H new ATOM 0 HB ILE A 60 -1.870 -3.781 6.011 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -3.786 -5.283 7.857 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -3.446 -3.566 7.936 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -2.984 -5.702 4.912 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -1.264 -6.048 5.214 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -2.512 -6.753 6.269 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -5.529 -3.989 6.657 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -4.283 -3.278 5.603 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -4.628 -5.022 5.522 1.00 0.00 H new ATOM 883 N GLU A 61 -0.926 -3.682 9.780 1.00 0.00 N ATOM 884 CA GLU A 61 -0.707 -2.446 10.582 1.00 0.00 C ATOM 885 C GLU A 61 0.687 -1.920 10.255 1.00 0.00 C ATOM 886 O GLU A 61 0.897 -0.740 10.057 1.00 0.00 O ATOM 887 CB GLU A 61 -0.787 -2.776 12.081 1.00 0.00 C ATOM 888 CG GLU A 61 -1.078 -1.505 12.873 1.00 0.00 C ATOM 889 CD GLU A 61 -0.948 -1.790 14.371 1.00 0.00 C ATOM 890 OE1 GLU A 61 0.169 -1.780 14.862 1.00 0.00 O ATOM 891 OE2 GLU A 61 -1.969 -2.011 15.002 1.00 0.00 O ATOM 0 H GLU A 61 -1.108 -4.529 10.318 1.00 0.00 H new ATOM 0 HA GLU A 61 -1.467 -1.702 10.345 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -1.569 -3.514 12.259 1.00 0.00 H new ATOM 0 HB3 GLU A 61 0.151 -3.218 12.416 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -0.384 -0.716 12.581 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -2.082 -1.146 12.647 1.00 0.00 H new ATOM 898 N LYS A 62 1.636 -2.810 10.183 1.00 0.00 N ATOM 899 CA LYS A 62 3.030 -2.410 9.852 1.00 0.00 C ATOM 900 C LYS A 62 3.045 -1.756 8.470 1.00 0.00 C ATOM 901 O LYS A 62 3.736 -0.785 8.234 1.00 0.00 O ATOM 902 CB LYS A 62 3.919 -3.654 9.838 1.00 0.00 C ATOM 903 CG LYS A 62 4.082 -4.174 11.266 1.00 0.00 C ATOM 904 CD LYS A 62 4.968 -5.420 11.257 1.00 0.00 C ATOM 905 CE LYS A 62 5.129 -5.939 12.685 1.00 0.00 C ATOM 906 NZ LYS A 62 3.790 -6.289 13.237 1.00 0.00 N ATOM 0 H LYS A 62 1.503 -3.809 10.341 1.00 0.00 H new ATOM 0 HA LYS A 62 3.402 -1.705 10.595 1.00 0.00 H new ATOM 0 HB2 LYS A 62 3.476 -4.424 9.206 1.00 0.00 H new ATOM 0 HB3 LYS A 62 4.893 -3.414 9.413 1.00 0.00 H new ATOM 0 HG2 LYS A 62 4.526 -3.404 11.896 1.00 0.00 H new ATOM 0 HG3 LYS A 62 3.107 -4.411 11.692 1.00 0.00 H new ATOM 0 HD2 LYS A 62 4.525 -6.190 10.626 1.00 0.00 H new ATOM 0 HD3 LYS A 62 5.943 -5.183 10.832 1.00 0.00 H new ATOM 0 HE2 LYS A 62 5.779 -6.814 12.695 1.00 0.00 H new ATOM 0 HE3 LYS A 62 5.605 -5.182 13.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 3.903 -6.965 14.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 3.323 -5.428 13.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 3.208 -6.718 12.490 1.00 0.00 H new ATOM 920 N THR A 63 2.287 -2.293 7.553 1.00 0.00 N ATOM 921 CA THR A 63 2.251 -1.722 6.181 1.00 0.00 C ATOM 922 C THR A 63 1.779 -0.267 6.236 1.00 0.00 C ATOM 923 O THR A 63 2.291 0.586 5.540 1.00 0.00 O ATOM 924 CB THR A 63 1.282 -2.543 5.323 1.00 0.00 C ATOM 925 OG1 THR A 63 1.722 -3.892 5.273 1.00 0.00 O ATOM 926 CG2 THR A 63 1.231 -1.974 3.904 1.00 0.00 C ATOM 0 H THR A 63 1.689 -3.107 7.698 1.00 0.00 H new ATOM 0 HA THR A 63 3.250 -1.756 5.746 1.00 0.00 H new ATOM 0 HB THR A 63 0.287 -2.496 5.765 1.00 0.00 H new ATOM 0 HG1 THR A 63 1.102 -4.418 4.726 1.00 0.00 H new ATOM 0 HG21 THR A 63 0.540 -2.563 3.300 1.00 0.00 H new ATOM 0 HG22 THR A 63 0.891 -0.939 3.939 1.00 0.00 H new ATOM 0 HG23 THR A 63 2.226 -2.014 3.460 1.00 0.00 H new ATOM 934 N GLN A 64 0.809 0.028 7.055 1.00 0.00 N ATOM 935 CA GLN A 64 0.316 1.432 7.143 1.00 0.00 C ATOM 936 C GLN A 64 1.451 2.353 7.599 1.00 0.00 C ATOM 937 O GLN A 64 1.634 3.434 7.075 1.00 0.00 O ATOM 938 CB GLN A 64 -0.835 1.504 8.146 1.00 0.00 C ATOM 939 CG GLN A 64 -2.061 0.796 7.566 1.00 0.00 C ATOM 940 CD GLN A 64 -3.167 0.743 8.621 1.00 0.00 C ATOM 941 OE1 GLN A 64 -2.903 0.517 9.785 1.00 0.00 O ATOM 942 NE2 GLN A 64 -4.405 0.945 8.261 1.00 0.00 N ATOM 0 H GLN A 64 0.337 -0.639 7.666 1.00 0.00 H new ATOM 0 HA GLN A 64 -0.034 1.753 6.162 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -0.542 1.036 9.086 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -1.074 2.544 8.368 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -2.414 1.324 6.680 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -1.796 -0.213 7.251 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -4.627 1.135 7.284 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -5.150 0.913 8.957 1.00 0.00 H new ATOM 951 N ARG A 65 2.212 1.937 8.576 1.00 0.00 N ATOM 952 CA ARG A 65 3.329 2.797 9.066 1.00 0.00 C ATOM 953 C ARG A 65 4.350 3.015 7.942 1.00 0.00 C ATOM 954 O ARG A 65 4.770 4.126 7.688 1.00 0.00 O ATOM 955 CB ARG A 65 4.006 2.121 10.266 1.00 0.00 C ATOM 956 CG ARG A 65 5.049 3.067 10.901 1.00 0.00 C ATOM 957 CD ARG A 65 4.364 4.072 11.859 1.00 0.00 C ATOM 958 NE ARG A 65 4.966 5.438 11.700 1.00 0.00 N ATOM 959 CZ ARG A 65 6.263 5.614 11.619 1.00 0.00 C ATOM 960 NH1 ARG A 65 7.082 4.613 11.783 1.00 0.00 N ATOM 961 NH2 ARG A 65 6.742 6.810 11.408 1.00 0.00 N ATOM 0 H ARG A 65 2.109 1.042 9.055 1.00 0.00 H new ATOM 0 HA ARG A 65 2.933 3.764 9.375 1.00 0.00 H new ATOM 0 HB2 ARG A 65 3.256 1.847 11.008 1.00 0.00 H new ATOM 0 HB3 ARG A 65 4.490 1.198 9.946 1.00 0.00 H new ATOM 0 HG2 ARG A 65 5.791 2.484 11.447 1.00 0.00 H new ATOM 0 HG3 ARG A 65 5.581 3.608 10.118 1.00 0.00 H new ATOM 0 HD2 ARG A 65 3.295 4.112 11.651 1.00 0.00 H new ATOM 0 HD3 ARG A 65 4.476 3.736 12.890 1.00 0.00 H new ATOM 0 HE ARG A 65 4.350 6.250 11.654 1.00 0.00 H new ATOM 0 HH11 ARG A 65 6.716 3.681 11.977 1.00 0.00 H new ATOM 0 HH12 ARG A 65 8.089 4.762 11.718 1.00 0.00 H new ATOM 0 HH21 ARG A 65 6.108 7.603 11.307 1.00 0.00 H new ATOM 0 HH22 ARG A 65 7.750 6.952 11.344 1.00 0.00 H new ATOM 975 N MET A 66 4.760 1.972 7.266 1.00 0.00 N ATOM 976 CA MET A 66 5.756 2.157 6.168 1.00 0.00 C ATOM 977 C MET A 66 5.169 3.053 5.076 1.00 0.00 C ATOM 978 O MET A 66 5.838 3.924 4.557 1.00 0.00 O ATOM 979 CB MET A 66 6.152 0.800 5.576 1.00 0.00 C ATOM 980 CG MET A 66 6.996 0.027 6.595 1.00 0.00 C ATOM 981 SD MET A 66 7.538 -1.547 5.879 1.00 0.00 S ATOM 982 CE MET A 66 5.927 -2.370 5.845 1.00 0.00 C ATOM 0 H MET A 66 4.453 1.012 7.424 1.00 0.00 H new ATOM 0 HA MET A 66 6.646 2.633 6.579 1.00 0.00 H new ATOM 0 HB2 MET A 66 5.260 0.229 5.318 1.00 0.00 H new ATOM 0 HB3 MET A 66 6.716 0.944 4.654 1.00 0.00 H new ATOM 0 HG2 MET A 66 7.862 0.621 6.888 1.00 0.00 H new ATOM 0 HG3 MET A 66 6.414 -0.156 7.498 1.00 0.00 H new ATOM 0 HE1 MET A 66 6.058 -3.416 5.566 1.00 0.00 H new ATOM 0 HE2 MET A 66 5.468 -2.312 6.832 1.00 0.00 H new ATOM 0 HE3 MET A 66 5.283 -1.878 5.116 1.00 0.00 H new ATOM 992 N LEU A 67 3.924 2.867 4.731 1.00 0.00 N ATOM 993 CA LEU A 67 3.319 3.738 3.685 1.00 0.00 C ATOM 994 C LEU A 67 3.358 5.182 4.183 1.00 0.00 C ATOM 995 O LEU A 67 3.634 6.101 3.439 1.00 0.00 O ATOM 996 CB LEU A 67 1.871 3.317 3.414 1.00 0.00 C ATOM 997 CG LEU A 67 1.844 1.957 2.698 1.00 0.00 C ATOM 998 CD1 LEU A 67 0.396 1.462 2.605 1.00 0.00 C ATOM 999 CD2 LEU A 67 2.441 2.077 1.280 1.00 0.00 C ATOM 0 H LEU A 67 3.306 2.157 5.124 1.00 0.00 H new ATOM 0 HA LEU A 67 3.880 3.645 2.755 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.320 3.254 4.352 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.373 4.069 2.802 1.00 0.00 H new ATOM 0 HG LEU A 67 2.443 1.247 3.268 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.373 0.498 2.098 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.017 1.354 3.608 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -0.199 2.182 2.043 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.413 1.104 0.790 1.00 0.00 H new ATOM 0 HD22 LEU A 67 1.859 2.793 0.700 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.474 2.419 1.348 1.00 0.00 H new ATOM 1011 N SER A 68 3.092 5.385 5.445 1.00 0.00 N ATOM 1012 CA SER A 68 3.127 6.766 6.001 1.00 0.00 C ATOM 1013 C SER A 68 4.529 7.337 5.806 1.00 0.00 C ATOM 1014 O SER A 68 4.700 8.499 5.498 1.00 0.00 O ATOM 1015 CB SER A 68 2.785 6.736 7.492 1.00 0.00 C ATOM 1016 OG SER A 68 1.410 6.411 7.652 1.00 0.00 O ATOM 0 H SER A 68 2.852 4.654 6.114 1.00 0.00 H new ATOM 0 HA SER A 68 2.396 7.389 5.486 1.00 0.00 H new ATOM 0 HB2 SER A 68 3.406 6.002 8.005 1.00 0.00 H new ATOM 0 HB3 SER A 68 2.997 7.704 7.945 1.00 0.00 H new ATOM 0 HG SER A 68 1.280 5.452 7.497 1.00 0.00 H new ATOM 1022 N GLY A 69 5.539 6.527 5.982 1.00 0.00 N ATOM 1023 CA GLY A 69 6.932 7.027 5.803 1.00 0.00 C ATOM 1024 C GLY A 69 7.033 7.773 4.471 1.00 0.00 C ATOM 1025 O GLY A 69 7.781 8.720 4.336 1.00 0.00 O ATOM 0 H GLY A 69 5.460 5.544 6.241 1.00 0.00 H new ATOM 0 HA2 GLY A 69 7.202 7.689 6.626 1.00 0.00 H new ATOM 0 HA3 GLY A 69 7.635 6.194 5.821 1.00 0.00 H new ATOM 1029 N PHE A 70 6.271 7.367 3.489 1.00 0.00 N ATOM 1030 CA PHE A 70 6.309 8.067 2.170 1.00 0.00 C ATOM 1031 C PHE A 70 5.198 9.117 2.154 1.00 0.00 C ATOM 1032 O PHE A 70 5.167 10.000 1.319 1.00 0.00 O ATOM 1033 CB PHE A 70 6.062 7.053 1.049 1.00 0.00 C ATOM 1034 CG PHE A 70 7.233 6.103 0.943 1.00 0.00 C ATOM 1035 CD1 PHE A 70 7.257 4.936 1.717 1.00 0.00 C ATOM 1036 CD2 PHE A 70 8.291 6.385 0.069 1.00 0.00 C ATOM 1037 CE1 PHE A 70 8.337 4.052 1.616 1.00 0.00 C ATOM 1038 CE2 PHE A 70 9.371 5.498 -0.031 1.00 0.00 C ATOM 1039 CZ PHE A 70 9.393 4.332 0.743 1.00 0.00 C ATOM 0 H PHE A 70 5.624 6.581 3.543 1.00 0.00 H new ATOM 0 HA PHE A 70 7.280 8.539 2.020 1.00 0.00 H new ATOM 0 HB2 PHE A 70 5.147 6.495 1.248 1.00 0.00 H new ATOM 0 HB3 PHE A 70 5.919 7.573 0.102 1.00 0.00 H new ATOM 0 HD1 PHE A 70 6.442 4.718 2.392 1.00 0.00 H new ATOM 0 HD2 PHE A 70 8.274 7.285 -0.527 1.00 0.00 H new ATOM 0 HE1 PHE A 70 8.355 3.152 2.213 1.00 0.00 H new ATOM 0 HE2 PHE A 70 10.187 5.714 -0.705 1.00 0.00 H new ATOM 0 HZ PHE A 70 10.226 3.648 0.666 1.00 0.00 H new ATOM 1049 N CYS A 71 4.284 9.020 3.083 1.00 0.00 N ATOM 1050 CA CYS A 71 3.159 9.997 3.157 1.00 0.00 C ATOM 1051 C CYS A 71 2.859 10.290 4.637 1.00 0.00 C ATOM 1052 O CYS A 71 1.918 9.762 5.193 1.00 0.00 O ATOM 1053 CB CYS A 71 1.929 9.376 2.491 1.00 0.00 C ATOM 1054 SG CYS A 71 0.696 10.661 2.164 1.00 0.00 S ATOM 0 H CYS A 71 4.269 8.297 3.802 1.00 0.00 H new ATOM 0 HA CYS A 71 3.420 10.925 2.648 1.00 0.00 H new ATOM 0 HB2 CYS A 71 2.216 8.888 1.559 1.00 0.00 H new ATOM 0 HB3 CYS A 71 1.504 8.607 3.136 1.00 0.00 H new ATOM 1059 N PRO A 72 3.665 11.104 5.285 1.00 0.00 N ATOM 1060 CA PRO A 72 3.456 11.414 6.730 1.00 0.00 C ATOM 1061 C PRO A 72 2.283 12.377 6.982 1.00 0.00 C ATOM 1062 O PRO A 72 2.303 13.148 7.920 1.00 0.00 O ATOM 1063 CB PRO A 72 4.803 12.057 7.120 1.00 0.00 C ATOM 1064 CG PRO A 72 5.561 12.419 5.824 1.00 0.00 C ATOM 1065 CD PRO A 72 4.833 11.765 4.633 1.00 0.00 C ATOM 0 HA PRO A 72 3.191 10.532 7.313 1.00 0.00 H new ATOM 0 HB2 PRO A 72 4.637 12.949 7.724 1.00 0.00 H new ATOM 0 HB3 PRO A 72 5.392 11.367 7.724 1.00 0.00 H new ATOM 0 HG2 PRO A 72 5.599 13.501 5.697 1.00 0.00 H new ATOM 0 HG3 PRO A 72 6.592 12.068 5.877 1.00 0.00 H new ATOM 0 HD2 PRO A 72 4.520 12.503 3.895 1.00 0.00 H new ATOM 0 HD3 PRO A 72 5.468 11.046 4.115 1.00 0.00 H new ATOM 1073 N HIS A 73 1.260 12.341 6.168 1.00 0.00 N ATOM 1074 CA HIS A 73 0.102 13.263 6.391 1.00 0.00 C ATOM 1075 C HIS A 73 -0.948 12.563 7.262 1.00 0.00 C ATOM 1076 O HIS A 73 -1.117 11.363 7.202 1.00 0.00 O ATOM 1077 CB HIS A 73 -0.513 13.651 5.040 1.00 0.00 C ATOM 1078 CG HIS A 73 -1.185 12.462 4.404 1.00 0.00 C ATOM 1079 ND1 HIS A 73 -2.208 12.607 3.479 1.00 0.00 N ATOM 1080 CD2 HIS A 73 -0.992 11.109 4.539 1.00 0.00 C ATOM 1081 CE1 HIS A 73 -2.588 11.376 3.097 1.00 0.00 C ATOM 1082 NE2 HIS A 73 -1.880 10.425 3.713 1.00 0.00 N ATOM 0 H HIS A 73 1.174 11.719 5.364 1.00 0.00 H new ATOM 0 HA HIS A 73 0.445 14.164 6.899 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -1.237 14.453 5.181 1.00 0.00 H new ATOM 0 HB3 HIS A 73 0.263 14.035 4.378 1.00 0.00 H new ATOM 0 HD1 HIS A 73 -2.601 13.488 3.148 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -0.263 10.646 5.187 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -3.371 11.179 2.379 1.00 0.00 H new ATOM 1090 N LYS A 74 -1.658 13.298 8.078 1.00 0.00 N ATOM 1091 CA LYS A 74 -2.686 12.648 8.939 1.00 0.00 C ATOM 1092 C LYS A 74 -3.924 12.341 8.093 1.00 0.00 C ATOM 1093 O LYS A 74 -4.471 13.210 7.443 1.00 0.00 O ATOM 1094 CB LYS A 74 -3.067 13.575 10.097 1.00 0.00 C ATOM 1095 CG LYS A 74 -1.862 13.754 11.025 1.00 0.00 C ATOM 1096 CD LYS A 74 -2.247 14.664 12.195 1.00 0.00 C ATOM 1097 CE LYS A 74 -1.045 14.847 13.128 1.00 0.00 C ATOM 1098 NZ LYS A 74 -0.121 15.866 12.556 1.00 0.00 N ATOM 0 H LYS A 74 -1.571 14.309 8.184 1.00 0.00 H new ATOM 0 HA LYS A 74 -2.282 11.723 9.351 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -3.390 14.542 9.712 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -3.907 13.156 10.651 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -1.530 12.785 11.398 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -1.027 14.186 10.474 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -2.579 15.632 11.820 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -3.083 14.231 12.745 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -1.383 15.161 14.116 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -0.523 13.899 13.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 0.694 15.990 13.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 0.211 15.549 11.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -0.622 16.772 12.456 1.00 0.00 H new ATOM 1112 N VAL A 75 -4.363 11.104 8.092 1.00 0.00 N ATOM 1113 CA VAL A 75 -5.563 10.713 7.284 1.00 0.00 C ATOM 1114 C VAL A 75 -6.676 10.246 8.217 1.00 0.00 C ATOM 1115 O VAL A 75 -6.474 9.390 9.055 1.00 0.00 O ATOM 1116 CB VAL A 75 -5.181 9.570 6.346 1.00 0.00 C ATOM 1117 CG1 VAL A 75 -6.393 9.181 5.501 1.00 0.00 C ATOM 1118 CG2 VAL A 75 -4.045 10.028 5.430 1.00 0.00 C ATOM 0 H VAL A 75 -3.938 10.342 8.621 1.00 0.00 H new ATOM 0 HA VAL A 75 -5.910 11.569 6.705 1.00 0.00 H new ATOM 0 HB VAL A 75 -4.855 8.709 6.930 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -6.122 8.365 4.831 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -7.204 8.860 6.154 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -6.718 10.040 4.914 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -3.769 9.215 4.758 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -4.373 10.887 4.844 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -3.182 10.309 6.033 1.00 0.00 H new ATOM 1128 N SER A 76 -7.853 10.801 8.074 1.00 0.00 N ATOM 1129 CA SER A 76 -8.999 10.398 8.947 1.00 0.00 C ATOM 1130 C SER A 76 -10.005 9.593 8.125 1.00 0.00 C ATOM 1131 O SER A 76 -10.132 9.771 6.930 1.00 0.00 O ATOM 1132 CB SER A 76 -9.687 11.650 9.491 1.00 0.00 C ATOM 1133 OG SER A 76 -8.829 12.289 10.428 1.00 0.00 O ATOM 0 H SER A 76 -8.071 11.521 7.385 1.00 0.00 H new ATOM 0 HA SER A 76 -8.629 9.791 9.774 1.00 0.00 H new ATOM 0 HB2 SER A 76 -9.925 12.332 8.675 1.00 0.00 H new ATOM 0 HB3 SER A 76 -10.630 11.383 9.968 1.00 0.00 H new ATOM 0 HG SER A 76 -9.267 13.093 10.777 1.00 0.00 H new ATOM 1139 N ALA A 77 -10.724 8.712 8.757 1.00 0.00 N ATOM 1140 CA ALA A 77 -11.725 7.901 8.017 1.00 0.00 C ATOM 1141 C ALA A 77 -12.744 8.838 7.366 1.00 0.00 C ATOM 1142 O ALA A 77 -13.492 8.449 6.491 1.00 0.00 O ATOM 1143 CB ALA A 77 -12.439 6.968 8.996 1.00 0.00 C ATOM 0 H ALA A 77 -10.661 8.518 9.756 1.00 0.00 H new ATOM 0 HA ALA A 77 -11.229 7.309 7.248 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -13.175 6.370 8.458 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -11.710 6.308 9.467 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -12.941 7.559 9.761 1.00 0.00 H new ATOM 1149 N GLY A 78 -12.774 10.076 7.787 1.00 0.00 N ATOM 1150 CA GLY A 78 -13.738 11.052 7.195 1.00 0.00 C ATOM 1151 C GLY A 78 -13.047 11.834 6.076 1.00 0.00 C ATOM 1152 O GLY A 78 -13.690 12.356 5.187 1.00 0.00 O ATOM 0 H GLY A 78 -12.171 10.454 8.517 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -14.609 10.527 6.803 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -14.098 11.736 7.963 1.00 0.00 H new ATOM 1156 N GLN A 79 -11.739 11.918 6.108 1.00 0.00 N ATOM 1157 CA GLN A 79 -11.002 12.664 5.038 1.00 0.00 C ATOM 1158 C GLN A 79 -10.573 11.702 3.927 1.00 0.00 C ATOM 1159 O GLN A 79 -9.915 10.709 4.171 1.00 0.00 O ATOM 1160 CB GLN A 79 -9.763 13.338 5.633 1.00 0.00 C ATOM 1161 CG GLN A 79 -10.193 14.513 6.516 1.00 0.00 C ATOM 1162 CD GLN A 79 -8.952 15.206 7.084 1.00 0.00 C ATOM 1163 OE1 GLN A 79 -7.961 15.357 6.398 1.00 0.00 O ATOM 1164 NE2 GLN A 79 -8.966 15.650 8.311 1.00 0.00 N ATOM 0 H GLN A 79 -11.149 11.502 6.829 1.00 0.00 H new ATOM 0 HA GLN A 79 -11.663 13.423 4.621 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -9.192 12.619 6.220 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -9.109 13.690 4.835 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -10.784 15.221 5.935 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -10.828 14.158 7.328 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -9.797 15.525 8.889 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -8.146 16.122 8.692 1.00 0.00 H new ATOM 1173 N PHE A 80 -10.943 11.998 2.704 1.00 0.00 N ATOM 1174 CA PHE A 80 -10.569 11.122 1.549 1.00 0.00 C ATOM 1175 C PHE A 80 -9.964 11.985 0.438 1.00 0.00 C ATOM 1176 O PHE A 80 -10.299 13.145 0.305 1.00 0.00 O ATOM 1177 CB PHE A 80 -11.819 10.420 1.028 1.00 0.00 C ATOM 1178 CG PHE A 80 -12.293 9.414 2.053 1.00 0.00 C ATOM 1179 CD1 PHE A 80 -11.626 8.190 2.189 1.00 0.00 C ATOM 1180 CD2 PHE A 80 -13.393 9.706 2.872 1.00 0.00 C ATOM 1181 CE1 PHE A 80 -12.059 7.259 3.141 1.00 0.00 C ATOM 1182 CE2 PHE A 80 -13.824 8.775 3.825 1.00 0.00 C ATOM 1183 CZ PHE A 80 -13.158 7.551 3.959 1.00 0.00 C ATOM 0 H PHE A 80 -11.495 12.819 2.454 1.00 0.00 H new ATOM 0 HA PHE A 80 -9.840 10.377 1.869 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -12.603 11.150 0.829 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -11.602 9.920 0.084 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -10.778 7.964 1.560 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -13.908 10.649 2.768 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -11.545 6.315 3.245 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -14.670 9.001 4.457 1.00 0.00 H new ATOM 0 HZ PHE A 80 -13.491 6.832 4.693 1.00 0.00 H new ATOM 1193 N SER A 81 -9.063 11.436 -0.351 1.00 0.00 N ATOM 1194 CA SER A 81 -8.422 12.237 -1.450 1.00 0.00 C ATOM 1195 C SER A 81 -8.636 11.588 -2.827 1.00 0.00 C ATOM 1196 O SER A 81 -8.980 12.257 -3.780 1.00 0.00 O ATOM 1197 CB SER A 81 -6.921 12.332 -1.184 1.00 0.00 C ATOM 1198 OG SER A 81 -6.708 12.765 0.151 1.00 0.00 O ATOM 0 H SER A 81 -8.745 10.469 -0.281 1.00 0.00 H new ATOM 0 HA SER A 81 -8.883 13.224 -1.460 1.00 0.00 H new ATOM 0 HB2 SER A 81 -6.450 11.362 -1.344 1.00 0.00 H new ATOM 0 HB3 SER A 81 -6.460 13.030 -1.883 1.00 0.00 H new ATOM 0 HG SER A 81 -5.746 12.825 0.326 1.00 0.00 H new ATOM 1204 N SER A 82 -8.388 10.305 -2.960 1.00 0.00 N ATOM 1205 CA SER A 82 -8.529 9.643 -4.305 1.00 0.00 C ATOM 1206 C SER A 82 -9.861 8.901 -4.451 1.00 0.00 C ATOM 1207 O SER A 82 -10.157 8.367 -5.502 1.00 0.00 O ATOM 1208 CB SER A 82 -7.391 8.640 -4.489 1.00 0.00 C ATOM 1209 OG SER A 82 -7.359 8.210 -5.844 1.00 0.00 O ATOM 0 H SER A 82 -8.096 9.688 -2.202 1.00 0.00 H new ATOM 0 HA SER A 82 -8.494 10.426 -5.062 1.00 0.00 H new ATOM 0 HB2 SER A 82 -6.440 9.098 -4.218 1.00 0.00 H new ATOM 0 HB3 SER A 82 -7.533 7.786 -3.827 1.00 0.00 H new ATOM 0 HG SER A 82 -8.273 8.164 -6.194 1.00 0.00 H new ATOM 1215 N LEU A 83 -10.664 8.836 -3.429 1.00 0.00 N ATOM 1216 CA LEU A 83 -11.956 8.096 -3.561 1.00 0.00 C ATOM 1217 C LEU A 83 -13.017 9.022 -4.171 1.00 0.00 C ATOM 1218 O LEU A 83 -14.201 8.849 -3.962 1.00 0.00 O ATOM 1219 CB LEU A 83 -12.413 7.608 -2.182 1.00 0.00 C ATOM 1220 CG LEU A 83 -11.560 6.409 -1.740 1.00 0.00 C ATOM 1221 CD1 LEU A 83 -10.123 6.863 -1.444 1.00 0.00 C ATOM 1222 CD2 LEU A 83 -12.170 5.796 -0.474 1.00 0.00 C ATOM 0 H LEU A 83 -10.489 9.256 -2.516 1.00 0.00 H new ATOM 0 HA LEU A 83 -11.818 7.234 -4.214 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -12.326 8.415 -1.454 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -13.465 7.323 -2.218 1.00 0.00 H new ATOM 0 HG LEU A 83 -11.541 5.669 -2.540 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -9.527 6.005 -1.132 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -9.687 7.300 -2.343 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -10.133 7.607 -0.647 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -11.569 4.944 -0.156 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -12.189 6.543 0.319 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -13.187 5.464 -0.684 1.00 0.00 H new ATOM 1234 N HIS A 84 -12.595 10.003 -4.930 1.00 0.00 N ATOM 1235 CA HIS A 84 -13.570 10.944 -5.563 1.00 0.00 C ATOM 1236 C HIS A 84 -14.232 10.269 -6.760 1.00 0.00 C ATOM 1237 O HIS A 84 -15.414 10.417 -6.998 1.00 0.00 O ATOM 1238 CB HIS A 84 -12.831 12.188 -6.057 1.00 0.00 C ATOM 1239 CG HIS A 84 -12.060 12.791 -4.925 1.00 0.00 C ATOM 1240 ND1 HIS A 84 -12.254 12.402 -3.612 1.00 0.00 N ATOM 1241 CD2 HIS A 84 -11.084 13.752 -4.894 1.00 0.00 C ATOM 1242 CE1 HIS A 84 -11.411 13.119 -2.850 1.00 0.00 C ATOM 1243 NE2 HIS A 84 -10.675 13.960 -3.581 1.00 0.00 N ATOM 0 H HIS A 84 -11.615 10.193 -5.139 1.00 0.00 H new ATOM 0 HA HIS A 84 -14.324 11.222 -4.827 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -12.156 11.924 -6.871 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -13.542 12.913 -6.454 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -10.692 14.269 -5.757 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -11.338 13.026 -1.776 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -9.966 14.614 -3.248 1.00 0.00 H new ATOM 1251 N VAL A 85 -13.474 9.534 -7.519 1.00 0.00 N ATOM 1252 CA VAL A 85 -14.048 8.853 -8.708 1.00 0.00 C ATOM 1253 C VAL A 85 -14.874 7.657 -8.240 1.00 0.00 C ATOM 1254 O VAL A 85 -14.616 7.087 -7.199 1.00 0.00 O ATOM 1255 CB VAL A 85 -12.911 8.389 -9.622 1.00 0.00 C ATOM 1256 CG1 VAL A 85 -13.475 8.034 -11.000 1.00 0.00 C ATOM 1257 CG2 VAL A 85 -11.882 9.520 -9.765 1.00 0.00 C ATOM 0 H VAL A 85 -12.478 9.375 -7.367 1.00 0.00 H new ATOM 0 HA VAL A 85 -14.689 9.537 -9.264 1.00 0.00 H new ATOM 0 HB VAL A 85 -12.431 7.510 -9.191 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -12.665 7.704 -11.651 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -14.208 7.234 -10.898 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -13.954 8.912 -11.434 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -11.070 9.193 -10.415 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -12.363 10.397 -10.198 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -11.481 9.773 -8.784 1.00 0.00 H new ATOM 1267 N ARG A 86 -15.878 7.281 -8.988 1.00 0.00 N ATOM 1268 CA ARG A 86 -16.730 6.132 -8.566 1.00 0.00 C ATOM 1269 C ARG A 86 -16.119 4.830 -9.077 1.00 0.00 C ATOM 1270 O ARG A 86 -16.631 4.195 -9.977 1.00 0.00 O ATOM 1271 CB ARG A 86 -18.134 6.298 -9.152 1.00 0.00 C ATOM 1272 CG ARG A 86 -18.843 7.464 -8.458 1.00 0.00 C ATOM 1273 CD ARG A 86 -20.250 7.618 -9.034 1.00 0.00 C ATOM 1274 NE ARG A 86 -20.982 6.330 -8.877 1.00 0.00 N ATOM 1275 CZ ARG A 86 -22.277 6.290 -9.027 1.00 0.00 C ATOM 1276 NH1 ARG A 86 -22.936 7.380 -9.302 1.00 0.00 N ATOM 1277 NH2 ARG A 86 -22.916 5.161 -8.888 1.00 0.00 N ATOM 0 H ARG A 86 -16.144 7.719 -9.870 1.00 0.00 H new ATOM 0 HA ARG A 86 -16.789 6.104 -7.478 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -18.072 6.483 -10.224 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -18.706 5.380 -9.019 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -18.895 7.285 -7.384 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -18.277 8.385 -8.600 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -20.782 8.418 -8.520 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -20.198 7.895 -10.087 1.00 0.00 H new ATOM 0 HE ARG A 86 -20.469 5.478 -8.652 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -22.439 8.265 -9.400 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -23.949 7.348 -9.419 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -22.403 4.309 -8.662 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -23.929 5.130 -9.005 1.00 0.00 H new ATOM 1291 N ASP A 87 -15.021 4.432 -8.495 1.00 0.00 N ATOM 1292 CA ASP A 87 -14.350 3.171 -8.917 1.00 0.00 C ATOM 1293 C ASP A 87 -14.994 1.981 -8.200 1.00 0.00 C ATOM 1294 O ASP A 87 -15.789 2.138 -7.296 1.00 0.00 O ATOM 1295 CB ASP A 87 -12.862 3.243 -8.558 1.00 0.00 C ATOM 1296 CG ASP A 87 -12.120 4.124 -9.568 1.00 0.00 C ATOM 1297 OD1 ASP A 87 -12.565 4.200 -10.701 1.00 0.00 O ATOM 1298 OD2 ASP A 87 -11.116 4.704 -9.190 1.00 0.00 O ATOM 0 H ASP A 87 -14.556 4.932 -7.737 1.00 0.00 H new ATOM 0 HA ASP A 87 -14.459 3.044 -9.994 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -12.741 3.647 -7.553 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -12.432 2.241 -8.552 1.00 0.00 H new ATOM 1303 N THR A 88 -14.653 0.787 -8.602 1.00 0.00 N ATOM 1304 CA THR A 88 -15.237 -0.425 -7.957 1.00 0.00 C ATOM 1305 C THR A 88 -14.290 -0.925 -6.861 1.00 0.00 C ATOM 1306 O THR A 88 -13.106 -0.651 -6.876 1.00 0.00 O ATOM 1307 CB THR A 88 -15.414 -1.515 -9.020 1.00 0.00 C ATOM 1308 OG1 THR A 88 -15.744 -2.745 -8.390 1.00 0.00 O ATOM 1309 CG2 THR A 88 -14.116 -1.677 -9.821 1.00 0.00 C ATOM 0 H THR A 88 -13.991 0.597 -9.354 1.00 0.00 H new ATOM 0 HA THR A 88 -16.203 -0.182 -7.514 1.00 0.00 H new ATOM 0 HB THR A 88 -16.218 -1.228 -9.698 1.00 0.00 H new ATOM 0 HG1 THR A 88 -15.858 -3.441 -9.071 1.00 0.00 H new ATOM 0 HG21 THR A 88 -14.248 -2.453 -10.575 1.00 0.00 H new ATOM 0 HG22 THR A 88 -13.870 -0.734 -10.310 1.00 0.00 H new ATOM 0 HG23 THR A 88 -13.306 -1.959 -9.148 1.00 0.00 H new ATOM 1317 N LYS A 89 -14.802 -1.655 -5.907 1.00 0.00 N ATOM 1318 CA LYS A 89 -13.930 -2.168 -4.808 1.00 0.00 C ATOM 1319 C LYS A 89 -13.230 -3.452 -5.270 1.00 0.00 C ATOM 1320 O LYS A 89 -13.735 -4.179 -6.103 1.00 0.00 O ATOM 1321 CB LYS A 89 -14.780 -2.494 -3.575 1.00 0.00 C ATOM 1322 CG LYS A 89 -15.494 -1.239 -3.062 1.00 0.00 C ATOM 1323 CD LYS A 89 -16.326 -1.614 -1.833 1.00 0.00 C ATOM 1324 CE LYS A 89 -17.053 -0.382 -1.294 1.00 0.00 C ATOM 1325 NZ LYS A 89 -17.994 0.135 -2.328 1.00 0.00 N ATOM 0 H LYS A 89 -15.785 -1.919 -5.840 1.00 0.00 H new ATOM 0 HA LYS A 89 -13.193 -1.405 -4.557 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -15.514 -3.259 -3.826 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -14.147 -2.905 -2.789 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -14.766 -0.469 -2.805 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -16.135 -0.825 -3.840 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -17.049 -2.386 -2.096 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -15.680 -2.031 -1.061 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -17.599 -0.638 -0.386 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -16.332 0.390 -1.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -17.659 1.057 -2.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -18.040 -0.535 -3.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -18.941 0.244 -1.912 1.00 0.00 H new ATOM 1339 N ILE A 90 -12.067 -3.733 -4.730 1.00 0.00 N ATOM 1340 CA ILE A 90 -11.316 -4.969 -5.121 1.00 0.00 C ATOM 1341 C ILE A 90 -10.826 -5.688 -3.858 1.00 0.00 C ATOM 1342 O ILE A 90 -10.701 -5.095 -2.804 1.00 0.00 O ATOM 1343 CB ILE A 90 -10.126 -4.577 -6.010 1.00 0.00 C ATOM 1344 CG1 ILE A 90 -9.198 -3.614 -5.257 1.00 0.00 C ATOM 1345 CG2 ILE A 90 -10.647 -3.890 -7.273 1.00 0.00 C ATOM 1346 CD1 ILE A 90 -7.987 -3.277 -6.134 1.00 0.00 C ATOM 0 H ILE A 90 -11.603 -3.154 -4.030 1.00 0.00 H new ATOM 0 HA ILE A 90 -11.968 -5.642 -5.678 1.00 0.00 H new ATOM 0 HB ILE A 90 -9.568 -5.475 -6.276 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -9.736 -2.703 -4.997 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -8.868 -4.067 -4.322 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -9.806 -3.610 -7.908 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -11.300 -4.574 -7.816 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -11.207 -2.997 -6.997 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -7.329 -2.593 -5.598 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -7.444 -4.192 -6.372 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -8.326 -2.806 -7.057 1.00 0.00 H new ATOM 1358 N GLU A 91 -10.556 -6.962 -3.954 1.00 0.00 N ATOM 1359 CA GLU A 91 -10.085 -7.725 -2.760 1.00 0.00 C ATOM 1360 C GLU A 91 -8.699 -7.234 -2.341 1.00 0.00 C ATOM 1361 O GLU A 91 -7.879 -6.880 -3.164 1.00 0.00 O ATOM 1362 CB GLU A 91 -10.018 -9.216 -3.101 1.00 0.00 C ATOM 1363 CG GLU A 91 -11.439 -9.764 -3.262 1.00 0.00 C ATOM 1364 CD GLU A 91 -11.379 -11.254 -3.602 1.00 0.00 C ATOM 1365 OE1 GLU A 91 -10.293 -11.736 -3.876 1.00 0.00 O ATOM 1366 OE2 GLU A 91 -12.422 -11.886 -3.588 1.00 0.00 O ATOM 0 H GLU A 91 -10.641 -7.510 -4.810 1.00 0.00 H new ATOM 0 HA GLU A 91 -10.783 -7.569 -1.937 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -9.452 -9.365 -4.021 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -9.494 -9.758 -2.313 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -12.004 -9.613 -2.342 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -11.962 -9.222 -4.050 1.00 0.00 H new ATOM 1373 N VAL A 92 -8.430 -7.215 -1.061 1.00 0.00 N ATOM 1374 CA VAL A 92 -7.096 -6.750 -0.589 1.00 0.00 C ATOM 1375 C VAL A 92 -5.999 -7.572 -1.279 1.00 0.00 C ATOM 1376 O VAL A 92 -4.971 -7.050 -1.663 1.00 0.00 O ATOM 1377 CB VAL A 92 -7.001 -6.922 0.935 1.00 0.00 C ATOM 1378 CG1 VAL A 92 -5.556 -6.704 1.396 1.00 0.00 C ATOM 1379 CG2 VAL A 92 -7.910 -5.893 1.620 1.00 0.00 C ATOM 0 H VAL A 92 -9.076 -7.501 -0.325 1.00 0.00 H new ATOM 0 HA VAL A 92 -6.965 -5.696 -0.836 1.00 0.00 H new ATOM 0 HB VAL A 92 -7.316 -7.931 1.202 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -5.497 -6.828 2.477 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -4.906 -7.432 0.911 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -5.237 -5.697 1.128 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -7.845 -6.013 2.701 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -7.592 -4.887 1.346 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -8.940 -6.047 1.299 1.00 0.00 H new ATOM 1389 N ALA A 93 -6.206 -8.849 -1.436 1.00 0.00 N ATOM 1390 CA ALA A 93 -5.174 -9.696 -2.098 1.00 0.00 C ATOM 1391 C ALA A 93 -4.765 -9.061 -3.430 1.00 0.00 C ATOM 1392 O ALA A 93 -3.600 -9.025 -3.781 1.00 0.00 O ATOM 1393 CB ALA A 93 -5.758 -11.085 -2.357 1.00 0.00 C ATOM 0 H ALA A 93 -7.045 -9.344 -1.135 1.00 0.00 H new ATOM 0 HA ALA A 93 -4.299 -9.777 -1.453 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -5.008 -11.710 -2.841 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -6.052 -11.538 -1.410 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -6.631 -10.998 -3.004 1.00 0.00 H new ATOM 1399 N GLN A 94 -5.713 -8.557 -4.175 1.00 0.00 N ATOM 1400 CA GLN A 94 -5.379 -7.928 -5.485 1.00 0.00 C ATOM 1401 C GLN A 94 -4.755 -6.554 -5.245 1.00 0.00 C ATOM 1402 O GLN A 94 -3.854 -6.138 -5.944 1.00 0.00 O ATOM 1403 CB GLN A 94 -6.656 -7.765 -6.310 1.00 0.00 C ATOM 1404 CG GLN A 94 -7.150 -9.139 -6.760 1.00 0.00 C ATOM 1405 CD GLN A 94 -8.443 -8.979 -7.555 1.00 0.00 C ATOM 1406 OE1 GLN A 94 -9.270 -8.149 -7.233 1.00 0.00 O ATOM 1407 NE2 GLN A 94 -8.654 -9.746 -8.588 1.00 0.00 N ATOM 0 H GLN A 94 -6.704 -8.554 -3.933 1.00 0.00 H new ATOM 0 HA GLN A 94 -4.673 -8.561 -6.023 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -7.423 -7.267 -5.718 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -6.463 -7.134 -7.178 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -6.392 -9.627 -7.372 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -7.320 -9.778 -5.893 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -7.959 -10.442 -8.857 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -9.514 -9.650 -9.127 1.00 0.00 H new ATOM 1416 N PHE A 95 -5.227 -5.849 -4.258 1.00 0.00 N ATOM 1417 CA PHE A 95 -4.667 -4.501 -3.968 1.00 0.00 C ATOM 1418 C PHE A 95 -3.176 -4.626 -3.651 1.00 0.00 C ATOM 1419 O PHE A 95 -2.358 -3.882 -4.154 1.00 0.00 O ATOM 1420 CB PHE A 95 -5.387 -3.920 -2.752 1.00 0.00 C ATOM 1421 CG PHE A 95 -4.796 -2.578 -2.401 1.00 0.00 C ATOM 1422 CD1 PHE A 95 -3.670 -2.514 -1.573 1.00 0.00 C ATOM 1423 CD2 PHE A 95 -5.368 -1.402 -2.900 1.00 0.00 C ATOM 1424 CE1 PHE A 95 -3.114 -1.275 -1.243 1.00 0.00 C ATOM 1425 CE2 PHE A 95 -4.812 -0.162 -2.570 1.00 0.00 C ATOM 1426 CZ PHE A 95 -3.685 -0.100 -1.741 1.00 0.00 C ATOM 0 H PHE A 95 -5.979 -6.149 -3.637 1.00 0.00 H new ATOM 0 HA PHE A 95 -4.803 -3.851 -4.833 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -6.451 -3.815 -2.964 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -5.296 -4.600 -1.905 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -3.230 -3.422 -1.189 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -6.237 -1.452 -3.539 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -2.245 -1.225 -0.604 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -5.251 0.747 -2.954 1.00 0.00 H new ATOM 0 HZ PHE A 95 -3.256 0.858 -1.486 1.00 0.00 H new ATOM 1436 N VAL A 96 -2.816 -5.555 -2.813 1.00 0.00 N ATOM 1437 CA VAL A 96 -1.381 -5.717 -2.456 1.00 0.00 C ATOM 1438 C VAL A 96 -0.567 -6.081 -3.701 1.00 0.00 C ATOM 1439 O VAL A 96 0.455 -5.486 -3.979 1.00 0.00 O ATOM 1440 CB VAL A 96 -1.238 -6.831 -1.417 1.00 0.00 C ATOM 1441 CG1 VAL A 96 0.243 -7.027 -1.069 1.00 0.00 C ATOM 1442 CG2 VAL A 96 -2.025 -6.457 -0.157 1.00 0.00 C ATOM 0 H VAL A 96 -3.453 -6.210 -2.360 1.00 0.00 H new ATOM 0 HA VAL A 96 -1.009 -4.778 -2.046 1.00 0.00 H new ATOM 0 HB VAL A 96 -1.633 -7.761 -1.825 1.00 0.00 H new ATOM 0 HG11 VAL A 96 0.341 -7.821 -0.329 1.00 0.00 H new ATOM 0 HG12 VAL A 96 0.795 -7.299 -1.968 1.00 0.00 H new ATOM 0 HG13 VAL A 96 0.647 -6.100 -0.662 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -1.924 -7.250 0.584 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -1.634 -5.526 0.253 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -3.077 -6.329 -0.410 1.00 0.00 H new ATOM 1452 N LYS A 97 -0.998 -7.065 -4.447 1.00 0.00 N ATOM 1453 CA LYS A 97 -0.228 -7.463 -5.658 1.00 0.00 C ATOM 1454 C LYS A 97 -0.221 -6.322 -6.678 1.00 0.00 C ATOM 1455 O LYS A 97 0.782 -6.041 -7.299 1.00 0.00 O ATOM 1456 CB LYS A 97 -0.864 -8.703 -6.289 1.00 0.00 C ATOM 1457 CG LYS A 97 -0.638 -9.916 -5.386 1.00 0.00 C ATOM 1458 CD LYS A 97 -1.278 -11.150 -6.026 1.00 0.00 C ATOM 1459 CE LYS A 97 -1.054 -12.369 -5.129 1.00 0.00 C ATOM 1460 NZ LYS A 97 -1.609 -13.583 -5.793 1.00 0.00 N ATOM 0 H LYS A 97 -1.845 -7.606 -4.270 1.00 0.00 H new ATOM 0 HA LYS A 97 0.798 -7.686 -5.364 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -1.932 -8.541 -6.436 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -0.431 -8.885 -7.273 1.00 0.00 H new ATOM 0 HG2 LYS A 97 0.429 -10.081 -5.239 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -1.071 -9.737 -4.402 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -2.345 -10.984 -6.171 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -0.846 -11.327 -7.011 1.00 0.00 H new ATOM 0 HE2 LYS A 97 0.011 -12.501 -4.936 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -1.536 -12.217 -4.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -1.457 -14.412 -5.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -2.628 -13.455 -5.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -1.129 -13.730 -6.704 1.00 0.00 H new ATOM 1474 N ASP A 98 -1.325 -5.656 -6.859 1.00 0.00 N ATOM 1475 CA ASP A 98 -1.351 -4.542 -7.845 1.00 0.00 C ATOM 1476 C ASP A 98 -0.324 -3.495 -7.416 1.00 0.00 C ATOM 1477 O ASP A 98 0.420 -2.963 -8.217 1.00 0.00 O ATOM 1478 CB ASP A 98 -2.747 -3.915 -7.857 1.00 0.00 C ATOM 1479 CG ASP A 98 -3.751 -4.910 -8.447 1.00 0.00 C ATOM 1480 OD1 ASP A 98 -3.335 -5.756 -9.221 1.00 0.00 O ATOM 1481 OD2 ASP A 98 -4.920 -4.809 -8.112 1.00 0.00 O ATOM 0 H ASP A 98 -2.204 -5.832 -6.372 1.00 0.00 H new ATOM 0 HA ASP A 98 -1.114 -4.911 -8.843 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -3.043 -3.642 -6.844 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -2.740 -2.998 -8.446 1.00 0.00 H new ATOM 1486 N LEU A 99 -0.278 -3.209 -6.147 1.00 0.00 N ATOM 1487 CA LEU A 99 0.696 -2.211 -5.626 1.00 0.00 C ATOM 1488 C LEU A 99 2.124 -2.731 -5.843 1.00 0.00 C ATOM 1489 O LEU A 99 3.037 -1.979 -6.118 1.00 0.00 O ATOM 1490 CB LEU A 99 0.431 -1.993 -4.130 1.00 0.00 C ATOM 1491 CG LEU A 99 1.415 -0.968 -3.549 1.00 0.00 C ATOM 1492 CD1 LEU A 99 1.223 0.399 -4.233 1.00 0.00 C ATOM 1493 CD2 LEU A 99 1.158 -0.836 -2.043 1.00 0.00 C ATOM 0 H LEU A 99 -0.881 -3.629 -5.439 1.00 0.00 H new ATOM 0 HA LEU A 99 0.583 -1.264 -6.154 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -0.592 -1.646 -3.983 1.00 0.00 H new ATOM 0 HB3 LEU A 99 0.526 -2.939 -3.597 1.00 0.00 H new ATOM 0 HG LEU A 99 2.437 -1.303 -3.724 1.00 0.00 H new ATOM 0 HD11 LEU A 99 1.926 1.118 -3.813 1.00 0.00 H new ATOM 0 HD12 LEU A 99 1.403 0.299 -5.303 1.00 0.00 H new ATOM 0 HD13 LEU A 99 0.204 0.749 -4.067 1.00 0.00 H new ATOM 0 HD21 LEU A 99 1.851 -0.110 -1.618 1.00 0.00 H new ATOM 0 HD22 LEU A 99 0.134 -0.501 -1.877 1.00 0.00 H new ATOM 0 HD23 LEU A 99 1.306 -1.803 -1.563 1.00 0.00 H new ATOM 1505 N LEU A 100 2.322 -4.013 -5.696 1.00 0.00 N ATOM 1506 CA LEU A 100 3.688 -4.598 -5.862 1.00 0.00 C ATOM 1507 C LEU A 100 4.270 -4.259 -7.241 1.00 0.00 C ATOM 1508 O LEU A 100 5.422 -3.889 -7.355 1.00 0.00 O ATOM 1509 CB LEU A 100 3.600 -6.123 -5.702 1.00 0.00 C ATOM 1510 CG LEU A 100 4.944 -6.784 -6.040 1.00 0.00 C ATOM 1511 CD1 LEU A 100 6.065 -6.156 -5.207 1.00 0.00 C ATOM 1512 CD2 LEU A 100 4.857 -8.280 -5.724 1.00 0.00 C ATOM 0 H LEU A 100 1.592 -4.687 -5.466 1.00 0.00 H new ATOM 0 HA LEU A 100 4.345 -4.175 -5.103 1.00 0.00 H new ATOM 0 HB2 LEU A 100 3.315 -6.370 -4.679 1.00 0.00 H new ATOM 0 HB3 LEU A 100 2.821 -6.518 -6.354 1.00 0.00 H new ATOM 0 HG LEU A 100 5.162 -6.636 -7.098 1.00 0.00 H new ATOM 0 HD11 LEU A 100 7.013 -6.633 -5.455 1.00 0.00 H new ATOM 0 HD12 LEU A 100 6.127 -5.090 -5.425 1.00 0.00 H new ATOM 0 HD13 LEU A 100 5.854 -6.298 -4.147 1.00 0.00 H new ATOM 0 HD21 LEU A 100 5.808 -8.758 -5.961 1.00 0.00 H new ATOM 0 HD22 LEU A 100 4.637 -8.416 -4.665 1.00 0.00 H new ATOM 0 HD23 LEU A 100 4.065 -8.732 -6.321 1.00 0.00 H new ATOM 1524 N LEU A 101 3.508 -4.398 -8.291 1.00 0.00 N ATOM 1525 CA LEU A 101 4.070 -4.093 -9.644 1.00 0.00 C ATOM 1526 C LEU A 101 4.526 -2.630 -9.709 1.00 0.00 C ATOM 1527 O LEU A 101 5.569 -2.322 -10.248 1.00 0.00 O ATOM 1528 CB LEU A 101 3.006 -4.350 -10.728 1.00 0.00 C ATOM 1529 CG LEU A 101 2.930 -5.848 -11.090 1.00 0.00 C ATOM 1530 CD1 LEU A 101 4.213 -6.301 -11.810 1.00 0.00 C ATOM 1531 CD2 LEU A 101 2.720 -6.690 -9.827 1.00 0.00 C ATOM 0 H LEU A 101 2.535 -4.704 -8.276 1.00 0.00 H new ATOM 0 HA LEU A 101 4.927 -4.743 -9.820 1.00 0.00 H new ATOM 0 HB2 LEU A 101 2.033 -4.009 -10.375 1.00 0.00 H new ATOM 0 HB3 LEU A 101 3.243 -3.769 -11.619 1.00 0.00 H new ATOM 0 HG LEU A 101 2.083 -5.992 -11.761 1.00 0.00 H new ATOM 0 HD11 LEU A 101 4.138 -7.360 -12.056 1.00 0.00 H new ATOM 0 HD12 LEU A 101 4.339 -5.724 -12.726 1.00 0.00 H new ATOM 0 HD13 LEU A 101 5.072 -6.140 -11.159 1.00 0.00 H new ATOM 0 HD21 LEU A 101 2.668 -7.745 -10.097 1.00 0.00 H new ATOM 0 HD22 LEU A 101 3.552 -6.532 -9.141 1.00 0.00 H new ATOM 0 HD23 LEU A 101 1.790 -6.394 -9.343 1.00 0.00 H new ATOM 1543 N HIS A 102 3.756 -1.725 -9.180 1.00 0.00 N ATOM 1544 CA HIS A 102 4.159 -0.291 -9.234 1.00 0.00 C ATOM 1545 C HIS A 102 5.356 -0.018 -8.321 1.00 0.00 C ATOM 1546 O HIS A 102 6.231 0.745 -8.661 1.00 0.00 O ATOM 1547 CB HIS A 102 2.976 0.597 -8.825 1.00 0.00 C ATOM 1548 CG HIS A 102 2.022 0.700 -9.981 1.00 0.00 C ATOM 1549 ND1 HIS A 102 2.175 1.654 -10.972 1.00 0.00 N ATOM 1550 CD2 HIS A 102 0.928 -0.040 -10.336 1.00 0.00 C ATOM 1551 CE1 HIS A 102 1.199 1.463 -11.872 1.00 0.00 C ATOM 1552 NE2 HIS A 102 0.406 0.441 -11.534 1.00 0.00 N ATOM 0 H HIS A 102 2.868 -1.912 -8.714 1.00 0.00 H new ATOM 0 HA HIS A 102 4.453 -0.058 -10.257 1.00 0.00 H new ATOM 0 HB2 HIS A 102 2.471 0.175 -7.956 1.00 0.00 H new ATOM 0 HB3 HIS A 102 3.330 1.588 -8.539 1.00 0.00 H new ATOM 0 HD2 HIS A 102 0.530 -0.871 -9.773 1.00 0.00 H new ATOM 0 HE1 HIS A 102 1.069 2.062 -12.761 1.00 0.00 H new ATOM 0 HE2 HIS A 102 -0.405 0.090 -12.043 1.00 0.00 H new ATOM 1560 N LEU A 103 5.405 -0.602 -7.159 1.00 0.00 N ATOM 1561 CA LEU A 103 6.553 -0.308 -6.252 1.00 0.00 C ATOM 1562 C LEU A 103 7.876 -0.675 -6.937 1.00 0.00 C ATOM 1563 O LEU A 103 8.785 0.126 -7.005 1.00 0.00 O ATOM 1564 CB LEU A 103 6.410 -1.132 -4.970 1.00 0.00 C ATOM 1565 CG LEU A 103 5.212 -0.634 -4.147 1.00 0.00 C ATOM 1566 CD1 LEU A 103 4.928 -1.635 -3.020 1.00 0.00 C ATOM 1567 CD2 LEU A 103 5.507 0.751 -3.537 1.00 0.00 C ATOM 0 H LEU A 103 4.714 -1.260 -6.799 1.00 0.00 H new ATOM 0 HA LEU A 103 6.553 0.756 -6.015 1.00 0.00 H new ATOM 0 HB2 LEU A 103 6.276 -2.185 -5.219 1.00 0.00 H new ATOM 0 HB3 LEU A 103 7.322 -1.058 -4.378 1.00 0.00 H new ATOM 0 HG LEU A 103 4.346 -0.547 -4.803 1.00 0.00 H new ATOM 0 HD11 LEU A 103 4.079 -1.289 -2.431 1.00 0.00 H new ATOM 0 HD12 LEU A 103 4.698 -2.610 -3.449 1.00 0.00 H new ATOM 0 HD13 LEU A 103 5.805 -1.718 -2.378 1.00 0.00 H new ATOM 0 HD21 LEU A 103 4.646 1.085 -2.958 1.00 0.00 H new ATOM 0 HD22 LEU A 103 6.378 0.683 -2.885 1.00 0.00 H new ATOM 0 HD23 LEU A 103 5.706 1.465 -4.336 1.00 0.00 H new ATOM 1579 N LYS A 104 7.995 -1.869 -7.447 1.00 0.00 N ATOM 1580 CA LYS A 104 9.269 -2.265 -8.120 1.00 0.00 C ATOM 1581 C LYS A 104 9.468 -1.453 -9.404 1.00 0.00 C ATOM 1582 O LYS A 104 10.575 -1.277 -9.870 1.00 0.00 O ATOM 1583 CB LYS A 104 9.238 -3.758 -8.458 1.00 0.00 C ATOM 1584 CG LYS A 104 8.113 -4.036 -9.458 1.00 0.00 C ATOM 1585 CD LYS A 104 7.838 -5.543 -9.534 1.00 0.00 C ATOM 1586 CE LYS A 104 9.143 -6.301 -9.785 1.00 0.00 C ATOM 1587 NZ LYS A 104 8.833 -7.700 -10.199 1.00 0.00 N ATOM 0 H LYS A 104 7.270 -2.587 -7.429 1.00 0.00 H new ATOM 0 HA LYS A 104 10.098 -2.064 -7.441 1.00 0.00 H new ATOM 0 HB2 LYS A 104 10.196 -4.066 -8.878 1.00 0.00 H new ATOM 0 HB3 LYS A 104 9.085 -4.343 -7.551 1.00 0.00 H new ATOM 0 HG2 LYS A 104 7.209 -3.508 -9.156 1.00 0.00 H new ATOM 0 HG3 LYS A 104 8.389 -3.658 -10.443 1.00 0.00 H new ATOM 0 HD2 LYS A 104 7.382 -5.885 -8.605 1.00 0.00 H new ATOM 0 HD3 LYS A 104 7.127 -5.751 -10.334 1.00 0.00 H new ATOM 0 HE2 LYS A 104 9.723 -5.801 -10.560 1.00 0.00 H new ATOM 0 HE3 LYS A 104 9.754 -6.304 -8.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 9.720 -8.216 -10.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 8.296 -8.174 -9.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 8.267 -7.687 -11.071 1.00 0.00 H new ATOM 1601 N LYS A 105 8.409 -0.976 -9.993 1.00 0.00 N ATOM 1602 CA LYS A 105 8.550 -0.197 -11.259 1.00 0.00 C ATOM 1603 C LYS A 105 9.297 1.122 -11.006 1.00 0.00 C ATOM 1604 O LYS A 105 10.206 1.475 -11.731 1.00 0.00 O ATOM 1605 CB LYS A 105 7.161 0.108 -11.817 1.00 0.00 C ATOM 1606 CG LYS A 105 7.294 0.790 -13.181 1.00 0.00 C ATOM 1607 CD LYS A 105 5.900 1.097 -13.731 1.00 0.00 C ATOM 1608 CE LYS A 105 6.024 1.969 -14.983 1.00 0.00 C ATOM 1609 NZ LYS A 105 4.674 2.179 -15.582 1.00 0.00 N ATOM 0 H LYS A 105 7.453 -1.090 -9.656 1.00 0.00 H new ATOM 0 HA LYS A 105 9.122 -0.789 -11.974 1.00 0.00 H new ATOM 0 HB2 LYS A 105 6.587 -0.813 -11.914 1.00 0.00 H new ATOM 0 HB3 LYS A 105 6.615 0.753 -11.128 1.00 0.00 H new ATOM 0 HG2 LYS A 105 7.871 1.710 -13.086 1.00 0.00 H new ATOM 0 HG3 LYS A 105 7.836 0.144 -13.872 1.00 0.00 H new ATOM 0 HD2 LYS A 105 5.380 0.170 -13.971 1.00 0.00 H new ATOM 0 HD3 LYS A 105 5.305 1.610 -12.976 1.00 0.00 H new ATOM 0 HE2 LYS A 105 6.473 2.929 -14.727 1.00 0.00 H new ATOM 0 HE3 LYS A 105 6.684 1.492 -15.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 4.760 2.772 -16.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 4.262 1.260 -15.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 4.057 2.652 -14.891 1.00 0.00 H new ATOM 1623 N LEU A 106 8.925 1.856 -9.992 1.00 0.00 N ATOM 1624 CA LEU A 106 9.624 3.149 -9.714 1.00 0.00 C ATOM 1625 C LEU A 106 11.108 2.877 -9.454 1.00 0.00 C ATOM 1626 O LEU A 106 11.957 3.705 -9.717 1.00 0.00 O ATOM 1627 CB LEU A 106 9.002 3.844 -8.486 1.00 0.00 C ATOM 1628 CG LEU A 106 7.716 4.622 -8.857 1.00 0.00 C ATOM 1629 CD1 LEU A 106 8.070 5.974 -9.491 1.00 0.00 C ATOM 1630 CD2 LEU A 106 6.845 3.825 -9.838 1.00 0.00 C ATOM 0 H LEU A 106 8.172 1.620 -9.346 1.00 0.00 H new ATOM 0 HA LEU A 106 9.515 3.804 -10.578 1.00 0.00 H new ATOM 0 HB2 LEU A 106 8.769 3.099 -7.725 1.00 0.00 H new ATOM 0 HB3 LEU A 106 9.728 4.529 -8.049 1.00 0.00 H new ATOM 0 HG LEU A 106 7.156 4.782 -7.936 1.00 0.00 H new ATOM 0 HD11 LEU A 106 7.154 6.507 -9.746 1.00 0.00 H new ATOM 0 HD12 LEU A 106 8.651 6.567 -8.784 1.00 0.00 H new ATOM 0 HD13 LEU A 106 8.657 5.810 -10.395 1.00 0.00 H new ATOM 0 HD21 LEU A 106 5.950 4.399 -10.079 1.00 0.00 H new ATOM 0 HD22 LEU A 106 7.409 3.632 -10.751 1.00 0.00 H new ATOM 0 HD23 LEU A 106 6.557 2.878 -9.382 1.00 0.00 H new ATOM 1642 N PHE A 107 11.422 1.728 -8.933 1.00 0.00 N ATOM 1643 CA PHE A 107 12.845 1.402 -8.650 1.00 0.00 C ATOM 1644 C PHE A 107 13.646 1.451 -9.953 1.00 0.00 C ATOM 1645 O PHE A 107 14.770 1.911 -9.988 1.00 0.00 O ATOM 1646 CB PHE A 107 12.942 0.002 -8.047 1.00 0.00 C ATOM 1647 CG PHE A 107 14.388 -0.299 -7.743 1.00 0.00 C ATOM 1648 CD1 PHE A 107 14.989 0.259 -6.609 1.00 0.00 C ATOM 1649 CD2 PHE A 107 15.130 -1.125 -8.594 1.00 0.00 C ATOM 1650 CE1 PHE A 107 16.333 -0.009 -6.325 1.00 0.00 C ATOM 1651 CE2 PHE A 107 16.473 -1.395 -8.311 1.00 0.00 C ATOM 1652 CZ PHE A 107 17.075 -0.837 -7.176 1.00 0.00 C ATOM 0 H PHE A 107 10.753 0.997 -8.690 1.00 0.00 H new ATOM 0 HA PHE A 107 13.249 2.128 -7.944 1.00 0.00 H new ATOM 0 HB2 PHE A 107 12.345 -0.059 -7.137 1.00 0.00 H new ATOM 0 HB3 PHE A 107 12.541 -0.736 -8.741 1.00 0.00 H new ATOM 0 HD1 PHE A 107 14.415 0.897 -5.953 1.00 0.00 H new ATOM 0 HD2 PHE A 107 14.666 -1.554 -9.470 1.00 0.00 H new ATOM 0 HE1 PHE A 107 16.797 0.422 -5.450 1.00 0.00 H new ATOM 0 HE2 PHE A 107 17.046 -2.033 -8.967 1.00 0.00 H new ATOM 0 HZ PHE A 107 18.112 -1.046 -6.957 1.00 0.00 H new ATOM 1662 N ARG A 108 13.075 0.964 -11.020 1.00 0.00 N ATOM 1663 CA ARG A 108 13.797 0.962 -12.324 1.00 0.00 C ATOM 1664 C ARG A 108 14.145 2.400 -12.725 1.00 0.00 C ATOM 1665 O ARG A 108 15.197 2.657 -13.278 1.00 0.00 O ATOM 1666 CB ARG A 108 12.906 0.329 -13.404 1.00 0.00 C ATOM 1667 CG ARG A 108 12.564 -1.127 -13.036 1.00 0.00 C ATOM 1668 CD ARG A 108 13.704 -2.070 -13.446 1.00 0.00 C ATOM 1669 NE ARG A 108 13.867 -2.046 -14.929 1.00 0.00 N ATOM 1670 CZ ARG A 108 14.948 -2.536 -15.474 1.00 0.00 C ATOM 1671 NH1 ARG A 108 15.883 -3.046 -14.720 1.00 0.00 N ATOM 1672 NH2 ARG A 108 15.095 -2.517 -16.772 1.00 0.00 N ATOM 0 H ARG A 108 12.136 0.566 -11.045 1.00 0.00 H new ATOM 0 HA ARG A 108 14.715 0.383 -12.226 1.00 0.00 H new ATOM 0 HB2 ARG A 108 11.989 0.908 -13.512 1.00 0.00 H new ATOM 0 HB3 ARG A 108 13.416 0.357 -14.367 1.00 0.00 H new ATOM 0 HG2 ARG A 108 12.388 -1.205 -11.963 1.00 0.00 H new ATOM 0 HG3 ARG A 108 11.641 -1.426 -13.533 1.00 0.00 H new ATOM 0 HD2 ARG A 108 14.633 -1.765 -12.963 1.00 0.00 H new ATOM 0 HD3 ARG A 108 13.488 -3.084 -13.110 1.00 0.00 H new ATOM 0 HE ARG A 108 13.135 -1.647 -15.517 1.00 0.00 H new ATOM 0 HH11 ARG A 108 15.769 -3.062 -13.707 1.00 0.00 H new ATOM 0 HH12 ARG A 108 16.728 -3.429 -15.144 1.00 0.00 H new ATOM 0 HH21 ARG A 108 14.365 -2.119 -17.362 1.00 0.00 H new ATOM 0 HH22 ARG A 108 15.940 -2.900 -17.195 1.00 0.00 H new ATOM 1686 N GLU A 109 13.278 3.342 -12.457 1.00 0.00 N ATOM 1687 CA GLU A 109 13.580 4.756 -12.834 1.00 0.00 C ATOM 1688 C GLU A 109 14.454 5.394 -11.751 1.00 0.00 C ATOM 1689 O GLU A 109 15.020 6.452 -11.943 1.00 0.00 O ATOM 1690 CB GLU A 109 12.275 5.550 -12.948 1.00 0.00 C ATOM 1691 CG GLU A 109 11.475 5.073 -14.162 1.00 0.00 C ATOM 1692 CD GLU A 109 10.177 5.878 -14.261 1.00 0.00 C ATOM 1693 OE1 GLU A 109 9.935 6.684 -13.378 1.00 0.00 O ATOM 1694 OE2 GLU A 109 9.450 5.679 -15.220 1.00 0.00 O ATOM 0 H GLU A 109 12.380 3.195 -11.997 1.00 0.00 H new ATOM 0 HA GLU A 109 14.102 4.768 -13.791 1.00 0.00 H new ATOM 0 HB2 GLU A 109 11.684 5.425 -12.041 1.00 0.00 H new ATOM 0 HB3 GLU A 109 12.494 6.614 -13.042 1.00 0.00 H new ATOM 0 HG2 GLU A 109 12.063 5.197 -15.071 1.00 0.00 H new ATOM 0 HG3 GLU A 109 11.251 4.010 -14.070 1.00 0.00 H new ATOM 1701 N GLY A 110 14.571 4.761 -10.616 1.00 0.00 N ATOM 1702 CA GLY A 110 15.411 5.335 -9.531 1.00 0.00 C ATOM 1703 C GLY A 110 14.812 6.663 -9.073 1.00 0.00 C ATOM 1704 O GLY A 110 15.404 7.384 -8.295 1.00 0.00 O ATOM 0 H GLY A 110 14.121 3.873 -10.395 1.00 0.00 H new ATOM 0 HA2 GLY A 110 15.466 4.640 -8.693 1.00 0.00 H new ATOM 0 HA3 GLY A 110 16.430 5.487 -9.887 1.00 0.00 H new ATOM 1708 N ARG A 111 13.632 6.991 -9.541 1.00 0.00 N ATOM 1709 CA ARG A 111 12.983 8.271 -9.121 1.00 0.00 C ATOM 1710 C ARG A 111 11.990 7.972 -8.002 1.00 0.00 C ATOM 1711 O ARG A 111 10.849 7.629 -8.239 1.00 0.00 O ATOM 1712 CB ARG A 111 12.252 8.896 -10.311 1.00 0.00 C ATOM 1713 CG ARG A 111 13.278 9.411 -11.320 1.00 0.00 C ATOM 1714 CD ARG A 111 12.553 10.037 -12.512 1.00 0.00 C ATOM 1715 NE ARG A 111 11.868 11.285 -12.074 1.00 0.00 N ATOM 1716 CZ ARG A 111 11.440 12.141 -12.962 1.00 0.00 C ATOM 1717 NH1 ARG A 111 11.623 11.912 -14.234 1.00 0.00 N ATOM 1718 NH2 ARG A 111 10.837 13.232 -12.576 1.00 0.00 N ATOM 0 H ARG A 111 13.091 6.427 -10.196 1.00 0.00 H new ATOM 0 HA ARG A 111 13.739 8.972 -8.767 1.00 0.00 H new ATOM 0 HB2 ARG A 111 11.601 8.159 -10.781 1.00 0.00 H new ATOM 0 HB3 ARG A 111 11.615 9.714 -9.973 1.00 0.00 H new ATOM 0 HG2 ARG A 111 13.929 10.148 -10.849 1.00 0.00 H new ATOM 0 HG3 ARG A 111 13.915 8.593 -11.657 1.00 0.00 H new ATOM 0 HD2 ARG A 111 13.264 10.259 -13.308 1.00 0.00 H new ATOM 0 HD3 ARG A 111 11.827 9.334 -12.920 1.00 0.00 H new ATOM 0 HE ARG A 111 11.733 11.471 -11.080 1.00 0.00 H new ATOM 0 HH11 ARG A 111 12.101 11.063 -14.536 1.00 0.00 H new ATOM 0 HH12 ARG A 111 11.288 12.582 -14.926 1.00 0.00 H new ATOM 0 HH21 ARG A 111 10.701 13.415 -11.582 1.00 0.00 H new ATOM 0 HH22 ARG A 111 10.502 13.902 -13.268 1.00 0.00 H new ATOM 1732 N PHE A 112 12.429 8.087 -6.781 1.00 0.00 N ATOM 1733 CA PHE A 112 11.538 7.797 -5.625 1.00 0.00 C ATOM 1734 C PHE A 112 10.755 9.054 -5.242 1.00 0.00 C ATOM 1735 O PHE A 112 11.274 10.152 -5.274 1.00 0.00 O ATOM 1736 CB PHE A 112 12.409 7.347 -4.459 1.00 0.00 C ATOM 1737 CG PHE A 112 13.274 6.210 -4.938 1.00 0.00 C ATOM 1738 CD1 PHE A 112 12.784 4.904 -4.911 1.00 0.00 C ATOM 1739 CD2 PHE A 112 14.559 6.467 -5.428 1.00 0.00 C ATOM 1740 CE1 PHE A 112 13.581 3.849 -5.372 1.00 0.00 C ATOM 1741 CE2 PHE A 112 15.357 5.413 -5.888 1.00 0.00 C ATOM 1742 CZ PHE A 112 14.868 4.104 -5.860 1.00 0.00 C ATOM 0 H PHE A 112 13.376 8.372 -6.532 1.00 0.00 H new ATOM 0 HA PHE A 112 10.824 7.015 -5.884 1.00 0.00 H new ATOM 0 HB2 PHE A 112 13.026 8.172 -4.103 1.00 0.00 H new ATOM 0 HB3 PHE A 112 11.789 7.028 -3.621 1.00 0.00 H new ATOM 0 HD1 PHE A 112 11.791 4.707 -4.535 1.00 0.00 H new ATOM 0 HD2 PHE A 112 14.935 7.479 -5.451 1.00 0.00 H new ATOM 0 HE1 PHE A 112 13.202 2.838 -5.351 1.00 0.00 H new ATOM 0 HE2 PHE A 112 16.350 5.611 -6.264 1.00 0.00 H new ATOM 0 HZ PHE A 112 15.483 3.290 -6.215 1.00 0.00 H new ATOM 1752 N ASN A 113 9.510 8.899 -4.882 1.00 0.00 N ATOM 1753 CA ASN A 113 8.684 10.079 -4.498 1.00 0.00 C ATOM 1754 C ASN A 113 8.546 11.019 -5.700 1.00 0.00 C ATOM 1755 CB ASN A 113 9.354 10.819 -3.333 1.00 0.00 C ATOM 1756 CG ASN A 113 9.953 9.802 -2.360 1.00 0.00 C ATOM 1757 OD1 ASN A 113 9.284 8.881 -1.937 1.00 0.00 O ATOM 1758 ND2 ASN A 113 11.197 9.931 -1.986 1.00 0.00 N ATOM 1759 OXT ASN A 113 7.602 11.791 -5.719 1.00 0.00 O ATOM 0 H ASN A 113 9.027 8.002 -4.837 1.00 0.00 H new ATOM 0 HA ASN A 113 7.694 9.745 -4.187 1.00 0.00 H new ATOM 0 HB2 ASN A 113 10.134 11.481 -3.709 1.00 0.00 H new ATOM 0 HB3 ASN A 113 8.625 11.445 -2.818 1.00 0.00 H new ATOM 0 HD21 ASN A 113 11.607 9.258 -1.338 1.00 0.00 H new ATOM 0 HD22 ASN A 113 11.759 10.705 -2.341 1.00 0.00 H new TER 1766 ASN A 113