USER MOD reduce.3.24.130724 H: found=0, std=0, add=901, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 899 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 69 ASN : amide:sc= -2.97! C(o=-3.3!,f=-7.1!) USER MOD Set 1.2: A 91 MET CE :methyl 154:sc= -0.327 (180deg=-1.92!) USER MOD Set 2.1: A 63 GLN : amide:sc= 0.0918 X(o=-2.4,f=-2.6) USER MOD Set 2.2: A 64 ASN : amide:sc= -2.5! C(o=-2.4!,f=-3.1!) USER MOD Set 3.1: A 44 CYS SG : rot 77:sc= -0.108 USER MOD Set 3.2: A 68 ASN : amide:sc= -1.01 K(o=-1.1,f=-2.9!) USER MOD Set 4.1: A 25 TYR OH : rot -134:sc= -0.654 USER MOD Set 4.2: A 48 HIS : no HD1:sc= -3.75! K(o=-4.4!,f=-5.4) USER MOD Set 5.1: A 21 GLN : amide:sc= -0.43 K(o=0.39,f=-0.58) USER MOD Set 5.2: A 50 TYR OH : rot 60:sc= 0.823 USER MOD Single : A 1 GLY N :NH3+ -174:sc= 0 (180deg=-0.0569) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 43:sc= 0.436 USER MOD Single : A 12 SER OG : rot 106:sc= 0.66 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 CYS SG : rot -146:sc= 0.937 USER MOD Single : A 19 GLN : amide:sc= -0.894 X(o=-0.89,f=-0.8) USER MOD Single : A 22 THR OG1 : rot -58:sc= 0.979 USER MOD Single : A 29 ASN : amide:sc= -1.39 X(o=-1.4,f=-1.5) USER MOD Single : A 31 THR OG1 : rot -43:sc= 0.464 USER MOD Single : A 34 THR OG1 : rot -97:sc= 1.52 USER MOD Single : A 35 MET CE :methyl -170:sc= 0 (180deg=-0.141) USER MOD Single : A 36 SER OG : rot -50:sc= -0.314 USER MOD Single : A 38 LYS NZ :NH3+ -131:sc= -1.33 (180deg=-3.75!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 GLN : amide:sc= -3.85! C(o=-3.8!,f=-5.3!) USER MOD Single : A 78 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0348) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 MET CE :methyl -172:sc= -1.93 (180deg=-2.24) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 173:sc= 0.227 (180deg=0.197) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 173:sc=-0.000456 (180deg=-0.0653) USER MOD Single : A 101 SER OG : rot -23:sc= -3.14! USER MOD Single : A 102 MET CE :methyl -163:sc= -0.0977 (180deg=-0.523) USER MOD Single : A 104 MET CE :methyl 153:sc= -0.447 (180deg=-1.39!) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 THR OG1 : rot 76:sc= 1.24 USER MOD Single : A 108 GLN : amide:sc= -5.14! C(o=-5.1!,f=-5.7!) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 MET CE :methyl -175:sc= -0.258 (180deg=-0.325) USER MOD Single : A 114 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.0103) USER MOD Single : A 116 SER OG : rot -124:sc= 0.209 USER MOD Single : A 119 SER OG : rot 20:sc= 0.316 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 22.493 -15.062 12.546 1.00 0.00 N ATOM 2 CA GLY A 1 21.758 -15.947 13.430 1.00 0.00 C ATOM 3 C GLY A 1 20.930 -16.966 12.672 1.00 0.00 C ATOM 4 O GLY A 1 20.854 -18.130 13.065 1.00 0.00 O ATOM 0 H1 GLY A 1 23.120 -14.452 13.108 1.00 0.00 H new ATOM 0 H2 GLY A 1 23.062 -15.627 11.884 1.00 0.00 H new ATOM 0 H3 GLY A 1 21.824 -14.472 12.011 1.00 0.00 H new ATOM 0 HA2 GLY A 1 22.459 -16.466 14.084 1.00 0.00 H new ATOM 0 HA3 GLY A 1 21.104 -15.355 14.070 1.00 0.00 H new ATOM 8 N SER A 2 20.306 -16.527 11.583 1.00 0.00 N ATOM 9 CA SER A 2 19.474 -17.408 10.772 1.00 0.00 C ATOM 10 C SER A 2 19.638 -17.094 9.288 1.00 0.00 C ATOM 11 O SER A 2 19.397 -15.969 8.850 1.00 0.00 O ATOM 12 CB SER A 2 18.005 -17.272 11.175 1.00 0.00 C ATOM 13 OG SER A 2 17.769 -17.852 12.446 1.00 0.00 O ATOM 0 H SER A 2 20.361 -15.567 11.242 1.00 0.00 H new ATOM 0 HA SER A 2 19.797 -18.434 10.947 1.00 0.00 H new ATOM 0 HB2 SER A 2 17.726 -16.218 11.195 1.00 0.00 H new ATOM 0 HB3 SER A 2 17.374 -17.754 10.429 1.00 0.00 H new ATOM 0 HG SER A 2 16.823 -17.750 12.681 1.00 0.00 H new ATOM 19 N SER A 3 20.049 -18.097 8.518 1.00 0.00 N ATOM 20 CA SER A 3 20.248 -17.928 7.084 1.00 0.00 C ATOM 21 C SER A 3 19.094 -17.147 6.463 1.00 0.00 C ATOM 22 O SER A 3 17.940 -17.303 6.860 1.00 0.00 O ATOM 23 CB SER A 3 20.382 -19.291 6.402 1.00 0.00 C ATOM 24 OG SER A 3 19.259 -20.110 6.676 1.00 0.00 O ATOM 0 H SER A 3 20.251 -19.035 8.864 1.00 0.00 H new ATOM 0 HA SER A 3 21.168 -17.363 6.934 1.00 0.00 H new ATOM 0 HB2 SER A 3 20.482 -19.154 5.325 1.00 0.00 H new ATOM 0 HB3 SER A 3 21.290 -19.786 6.747 1.00 0.00 H new ATOM 0 HG SER A 3 19.368 -20.975 6.228 1.00 0.00 H new ATOM 30 N GLY A 4 19.415 -16.305 5.485 1.00 0.00 N ATOM 31 CA GLY A 4 18.395 -15.512 4.824 1.00 0.00 C ATOM 32 C GLY A 4 18.904 -14.850 3.560 1.00 0.00 C ATOM 33 O GLY A 4 19.904 -14.133 3.586 1.00 0.00 O ATOM 0 H GLY A 4 20.363 -16.158 5.139 1.00 0.00 H new ATOM 0 HA2 GLY A 4 17.545 -16.149 4.580 1.00 0.00 H new ATOM 0 HA3 GLY A 4 18.032 -14.747 5.510 1.00 0.00 H new ATOM 37 N SER A 5 18.216 -15.092 2.448 1.00 0.00 N ATOM 38 CA SER A 5 18.607 -14.518 1.166 1.00 0.00 C ATOM 39 C SER A 5 17.453 -14.575 0.170 1.00 0.00 C ATOM 40 O SER A 5 16.730 -15.569 0.098 1.00 0.00 O ATOM 41 CB SER A 5 19.821 -15.259 0.602 1.00 0.00 C ATOM 42 OG SER A 5 20.134 -14.804 -0.703 1.00 0.00 O ATOM 0 H SER A 5 17.385 -15.682 2.410 1.00 0.00 H new ATOM 0 HA SER A 5 18.871 -13.473 1.328 1.00 0.00 H new ATOM 0 HB2 SER A 5 20.679 -15.111 1.258 1.00 0.00 H new ATOM 0 HB3 SER A 5 19.619 -16.330 0.579 1.00 0.00 H new ATOM 0 HG SER A 5 20.914 -15.291 -1.041 1.00 0.00 H new ATOM 48 N SER A 6 17.287 -13.502 -0.596 1.00 0.00 N ATOM 49 CA SER A 6 16.219 -13.427 -1.586 1.00 0.00 C ATOM 50 C SER A 6 16.769 -13.012 -2.948 1.00 0.00 C ATOM 51 O SER A 6 17.878 -12.490 -3.049 1.00 0.00 O ATOM 52 CB SER A 6 15.144 -12.437 -1.134 1.00 0.00 C ATOM 53 OG SER A 6 14.426 -12.937 -0.020 1.00 0.00 O ATOM 0 H SER A 6 17.878 -12.672 -0.550 1.00 0.00 H new ATOM 0 HA SER A 6 15.774 -14.418 -1.680 1.00 0.00 H new ATOM 0 HB2 SER A 6 15.608 -11.485 -0.874 1.00 0.00 H new ATOM 0 HB3 SER A 6 14.456 -12.242 -1.956 1.00 0.00 H new ATOM 0 HG SER A 6 13.746 -12.285 0.250 1.00 0.00 H new ATOM 59 N GLY A 7 15.983 -13.250 -3.994 1.00 0.00 N ATOM 60 CA GLY A 7 16.406 -12.896 -5.336 1.00 0.00 C ATOM 61 C GLY A 7 15.449 -11.934 -6.011 1.00 0.00 C ATOM 62 O GLY A 7 14.374 -11.645 -5.485 1.00 0.00 O ATOM 0 H GLY A 7 15.061 -13.682 -3.935 1.00 0.00 H new ATOM 0 HA2 GLY A 7 17.398 -12.447 -5.294 1.00 0.00 H new ATOM 0 HA3 GLY A 7 16.491 -13.801 -5.937 1.00 0.00 H new ATOM 66 N VAL A 8 15.839 -11.436 -7.180 1.00 0.00 N ATOM 67 CA VAL A 8 15.008 -10.501 -7.928 1.00 0.00 C ATOM 68 C VAL A 8 14.321 -11.192 -9.100 1.00 0.00 C ATOM 69 O VAL A 8 14.483 -10.791 -10.252 1.00 0.00 O ATOM 70 CB VAL A 8 15.836 -9.315 -8.459 1.00 0.00 C ATOM 71 CG1 VAL A 8 16.502 -8.572 -7.311 1.00 0.00 C ATOM 72 CG2 VAL A 8 16.870 -9.797 -9.465 1.00 0.00 C ATOM 0 H VAL A 8 16.726 -11.665 -7.629 1.00 0.00 H new ATOM 0 HA VAL A 8 14.252 -10.127 -7.237 1.00 0.00 H new ATOM 0 HB VAL A 8 15.164 -8.622 -8.966 1.00 0.00 H new ATOM 0 HG11 VAL A 8 17.082 -7.738 -7.705 1.00 0.00 H new ATOM 0 HG12 VAL A 8 15.739 -8.194 -6.631 1.00 0.00 H new ATOM 0 HG13 VAL A 8 17.163 -9.251 -6.773 1.00 0.00 H new ATOM 0 HG21 VAL A 8 17.446 -8.947 -9.830 1.00 0.00 H new ATOM 0 HG22 VAL A 8 17.540 -10.510 -8.985 1.00 0.00 H new ATOM 0 HG23 VAL A 8 16.366 -10.280 -10.302 1.00 0.00 H new ATOM 82 N ALA A 9 13.553 -12.234 -8.798 1.00 0.00 N ATOM 83 CA ALA A 9 12.838 -12.980 -9.826 1.00 0.00 C ATOM 84 C ALA A 9 11.362 -13.125 -9.473 1.00 0.00 C ATOM 85 O ALA A 9 10.489 -12.903 -10.312 1.00 0.00 O ATOM 86 CB ALA A 9 13.473 -14.349 -10.022 1.00 0.00 C ATOM 0 H ALA A 9 13.410 -12.581 -7.849 1.00 0.00 H new ATOM 0 HA ALA A 9 12.908 -12.422 -10.760 1.00 0.00 H new ATOM 0 HB1 ALA A 9 12.929 -14.895 -10.792 1.00 0.00 H new ATOM 0 HB2 ALA A 9 14.512 -14.228 -10.328 1.00 0.00 H new ATOM 0 HB3 ALA A 9 13.433 -14.906 -9.086 1.00 0.00 H new ATOM 92 N ARG A 10 11.090 -13.501 -8.227 1.00 0.00 N ATOM 93 CA ARG A 10 9.719 -13.677 -7.764 1.00 0.00 C ATOM 94 C ARG A 10 9.171 -12.379 -7.181 1.00 0.00 C ATOM 95 O ARG A 10 8.084 -11.931 -7.548 1.00 0.00 O ATOM 96 CB ARG A 10 9.652 -14.789 -6.715 1.00 0.00 C ATOM 97 CG ARG A 10 8.245 -15.313 -6.473 1.00 0.00 C ATOM 98 CD ARG A 10 8.191 -16.217 -5.251 1.00 0.00 C ATOM 99 NE ARG A 10 6.856 -16.259 -4.660 1.00 0.00 N ATOM 100 CZ ARG A 10 6.394 -15.337 -3.822 1.00 0.00 C ATOM 101 NH1 ARG A 10 7.156 -14.307 -3.479 1.00 0.00 N ATOM 102 NH2 ARG A 10 5.168 -15.444 -3.327 1.00 0.00 N ATOM 0 H ARG A 10 11.801 -13.689 -7.521 1.00 0.00 H new ATOM 0 HA ARG A 10 9.106 -13.957 -8.620 1.00 0.00 H new ATOM 0 HB2 ARG A 10 10.289 -15.615 -7.032 1.00 0.00 H new ATOM 0 HB3 ARG A 10 10.058 -14.415 -5.775 1.00 0.00 H new ATOM 0 HG2 ARG A 10 7.561 -14.475 -6.338 1.00 0.00 H new ATOM 0 HG3 ARG A 10 7.905 -15.864 -7.350 1.00 0.00 H new ATOM 0 HD2 ARG A 10 8.495 -17.225 -5.532 1.00 0.00 H new ATOM 0 HD3 ARG A 10 8.906 -15.864 -4.507 1.00 0.00 H new ATOM 0 HE ARG A 10 6.245 -17.039 -4.904 1.00 0.00 H new ATOM 0 HH11 ARG A 10 8.099 -14.221 -3.859 1.00 0.00 H new ATOM 0 HH12 ARG A 10 6.799 -13.601 -2.836 1.00 0.00 H new ATOM 0 HH21 ARG A 10 4.579 -16.234 -3.590 1.00 0.00 H new ATOM 0 HH22 ARG A 10 4.814 -14.736 -2.684 1.00 0.00 H new ATOM 116 N SER A 11 9.929 -11.779 -6.269 1.00 0.00 N ATOM 117 CA SER A 11 9.518 -10.534 -5.631 1.00 0.00 C ATOM 118 C SER A 11 9.502 -9.387 -6.637 1.00 0.00 C ATOM 119 O SER A 11 10.551 -8.863 -7.014 1.00 0.00 O ATOM 120 CB SER A 11 10.455 -10.196 -4.470 1.00 0.00 C ATOM 121 OG SER A 11 11.808 -10.199 -4.890 1.00 0.00 O ATOM 0 H SER A 11 10.832 -12.135 -5.955 1.00 0.00 H new ATOM 0 HA SER A 11 8.508 -10.670 -5.245 1.00 0.00 H new ATOM 0 HB2 SER A 11 10.199 -9.217 -4.065 1.00 0.00 H new ATOM 0 HB3 SER A 11 10.319 -10.919 -3.666 1.00 0.00 H new ATOM 0 HG SER A 11 11.882 -9.752 -5.759 1.00 0.00 H new ATOM 127 N SER A 12 8.305 -9.002 -7.068 1.00 0.00 N ATOM 128 CA SER A 12 8.152 -7.920 -8.034 1.00 0.00 C ATOM 129 C SER A 12 8.913 -6.677 -7.582 1.00 0.00 C ATOM 130 O SER A 12 9.008 -6.392 -6.388 1.00 0.00 O ATOM 131 CB SER A 12 6.672 -7.584 -8.224 1.00 0.00 C ATOM 132 OG SER A 12 6.239 -6.630 -7.271 1.00 0.00 O ATOM 0 H SER A 12 7.427 -9.423 -6.764 1.00 0.00 H new ATOM 0 HA SER A 12 8.567 -8.253 -8.985 1.00 0.00 H new ATOM 0 HB2 SER A 12 6.510 -7.197 -9.230 1.00 0.00 H new ATOM 0 HB3 SER A 12 6.075 -8.491 -8.132 1.00 0.00 H new ATOM 0 HG SER A 12 6.127 -5.760 -7.707 1.00 0.00 H new ATOM 138 N LYS A 13 9.455 -5.940 -8.546 1.00 0.00 N ATOM 139 CA LYS A 13 10.207 -4.726 -8.250 1.00 0.00 C ATOM 140 C LYS A 13 9.462 -3.856 -7.243 1.00 0.00 C ATOM 141 O LYS A 13 10.053 -3.350 -6.288 1.00 0.00 O ATOM 142 CB LYS A 13 10.462 -3.934 -9.535 1.00 0.00 C ATOM 143 CG LYS A 13 11.577 -2.911 -9.407 1.00 0.00 C ATOM 144 CD LYS A 13 12.943 -3.576 -9.371 1.00 0.00 C ATOM 145 CE LYS A 13 13.471 -3.842 -10.772 1.00 0.00 C ATOM 146 NZ LYS A 13 14.152 -2.647 -11.344 1.00 0.00 N ATOM 0 H LYS A 13 9.387 -6.162 -9.539 1.00 0.00 H new ATOM 0 HA LYS A 13 11.163 -5.017 -7.814 1.00 0.00 H new ATOM 0 HB2 LYS A 13 10.708 -4.629 -10.338 1.00 0.00 H new ATOM 0 HB3 LYS A 13 9.544 -3.424 -9.826 1.00 0.00 H new ATOM 0 HG2 LYS A 13 11.532 -2.216 -10.245 1.00 0.00 H new ATOM 0 HG3 LYS A 13 11.432 -2.326 -8.499 1.00 0.00 H new ATOM 0 HD2 LYS A 13 13.644 -2.940 -8.832 1.00 0.00 H new ATOM 0 HD3 LYS A 13 12.877 -4.515 -8.822 1.00 0.00 H new ATOM 0 HE2 LYS A 13 14.169 -4.679 -10.744 1.00 0.00 H new ATOM 0 HE3 LYS A 13 12.646 -4.136 -11.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 14.498 -2.869 -12.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 13.480 -1.855 -11.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 14.955 -2.382 -10.738 1.00 0.00 H new ATOM 160 N LEU A 14 8.163 -3.686 -7.462 1.00 0.00 N ATOM 161 CA LEU A 14 7.337 -2.878 -6.571 1.00 0.00 C ATOM 162 C LEU A 14 7.263 -3.501 -5.181 1.00 0.00 C ATOM 163 O LEU A 14 7.565 -2.849 -4.180 1.00 0.00 O ATOM 164 CB LEU A 14 5.929 -2.725 -7.149 1.00 0.00 C ATOM 165 CG LEU A 14 4.901 -2.049 -6.242 1.00 0.00 C ATOM 166 CD1 LEU A 14 5.233 -0.575 -6.065 1.00 0.00 C ATOM 167 CD2 LEU A 14 3.498 -2.217 -6.807 1.00 0.00 C ATOM 0 H LEU A 14 7.659 -4.096 -8.248 1.00 0.00 H new ATOM 0 HA LEU A 14 7.797 -1.894 -6.483 1.00 0.00 H new ATOM 0 HB2 LEU A 14 5.998 -2.154 -8.075 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.556 -3.715 -7.412 1.00 0.00 H new ATOM 0 HG LEU A 14 4.937 -2.529 -5.264 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.490 -0.110 -5.416 1.00 0.00 H new ATOM 0 HD12 LEU A 14 6.221 -0.476 -5.615 1.00 0.00 H new ATOM 0 HD13 LEU A 14 5.226 -0.081 -7.037 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.780 -1.729 -6.148 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.448 -1.764 -7.797 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.260 -3.278 -6.881 1.00 0.00 H new ATOM 179 N LEU A 15 6.864 -4.767 -5.126 1.00 0.00 N ATOM 180 CA LEU A 15 6.753 -5.480 -3.858 1.00 0.00 C ATOM 181 C LEU A 15 7.937 -5.162 -2.950 1.00 0.00 C ATOM 182 O LEU A 15 7.761 -4.711 -1.819 1.00 0.00 O ATOM 183 CB LEU A 15 6.674 -6.988 -4.104 1.00 0.00 C ATOM 184 CG LEU A 15 6.798 -7.877 -2.866 1.00 0.00 C ATOM 185 CD1 LEU A 15 5.640 -7.630 -1.913 1.00 0.00 C ATOM 186 CD2 LEU A 15 6.858 -9.343 -3.267 1.00 0.00 C ATOM 0 H LEU A 15 6.612 -5.321 -5.945 1.00 0.00 H new ATOM 0 HA LEU A 15 5.840 -5.151 -3.362 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.724 -7.207 -4.591 1.00 0.00 H new ATOM 0 HB3 LEU A 15 7.462 -7.263 -4.805 1.00 0.00 H new ATOM 0 HG LEU A 15 7.725 -7.623 -2.351 1.00 0.00 H new ATOM 0 HD11 LEU A 15 5.746 -8.272 -1.038 1.00 0.00 H new ATOM 0 HD12 LEU A 15 5.643 -6.586 -1.600 1.00 0.00 H new ATOM 0 HD13 LEU A 15 4.700 -7.855 -2.417 1.00 0.00 H new ATOM 0 HD21 LEU A 15 6.946 -9.961 -2.374 1.00 0.00 H new ATOM 0 HD22 LEU A 15 5.949 -9.611 -3.805 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.722 -9.509 -3.910 1.00 0.00 H new ATOM 198 N GLY A 16 9.144 -5.400 -3.454 1.00 0.00 N ATOM 199 CA GLY A 16 10.339 -5.132 -2.676 1.00 0.00 C ATOM 200 C GLY A 16 10.270 -3.805 -1.947 1.00 0.00 C ATOM 201 O GLY A 16 10.483 -3.742 -0.736 1.00 0.00 O ATOM 0 H GLY A 16 9.315 -5.774 -4.387 1.00 0.00 H new ATOM 0 HA2 GLY A 16 10.485 -5.934 -1.952 1.00 0.00 H new ATOM 0 HA3 GLY A 16 11.207 -5.136 -3.336 1.00 0.00 H new ATOM 205 N TRP A 17 9.974 -2.741 -2.685 1.00 0.00 N ATOM 206 CA TRP A 17 9.880 -1.408 -2.102 1.00 0.00 C ATOM 207 C TRP A 17 8.960 -1.410 -0.886 1.00 0.00 C ATOM 208 O TRP A 17 9.343 -0.957 0.194 1.00 0.00 O ATOM 209 CB TRP A 17 9.370 -0.408 -3.141 1.00 0.00 C ATOM 210 CG TRP A 17 9.429 1.015 -2.676 1.00 0.00 C ATOM 211 CD1 TRP A 17 10.543 1.798 -2.574 1.00 0.00 C ATOM 212 CD2 TRP A 17 8.328 1.823 -2.247 1.00 0.00 C ATOM 213 NE1 TRP A 17 10.201 3.045 -2.108 1.00 0.00 N ATOM 214 CE2 TRP A 17 8.848 3.086 -1.901 1.00 0.00 C ATOM 215 CE3 TRP A 17 6.953 1.604 -2.124 1.00 0.00 C ATOM 216 CZ2 TRP A 17 8.040 4.122 -1.439 1.00 0.00 C ATOM 217 CZ3 TRP A 17 6.153 2.633 -1.666 1.00 0.00 C ATOM 218 CH2 TRP A 17 6.698 3.879 -1.329 1.00 0.00 C ATOM 0 H TRP A 17 9.795 -2.776 -3.689 1.00 0.00 H new ATOM 0 HA TRP A 17 10.877 -1.109 -1.780 1.00 0.00 H new ATOM 0 HB2 TRP A 17 9.960 -0.509 -4.052 1.00 0.00 H new ATOM 0 HB3 TRP A 17 8.340 -0.656 -3.398 1.00 0.00 H new ATOM 0 HD1 TRP A 17 11.546 1.484 -2.823 1.00 0.00 H new ATOM 0 HE1 TRP A 17 10.850 3.815 -1.943 1.00 0.00 H new ATOM 0 HE3 TRP A 17 6.524 0.647 -2.382 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 8.458 5.083 -1.177 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 5.089 2.474 -1.566 1.00 0.00 H new ATOM 0 HH2 TRP A 17 6.046 4.664 -0.975 1.00 0.00 H new ATOM 229 N CYS A 18 7.748 -1.921 -1.067 1.00 0.00 N ATOM 230 CA CYS A 18 6.773 -1.981 0.016 1.00 0.00 C ATOM 231 C CYS A 18 7.308 -2.802 1.184 1.00 0.00 C ATOM 232 O CYS A 18 7.164 -2.416 2.344 1.00 0.00 O ATOM 233 CB CYS A 18 5.459 -2.581 -0.485 1.00 0.00 C ATOM 234 SG CYS A 18 4.727 -1.694 -1.881 1.00 0.00 S ATOM 0 H CYS A 18 7.416 -2.300 -1.954 1.00 0.00 H new ATOM 0 HA CYS A 18 6.590 -0.964 0.364 1.00 0.00 H new ATOM 0 HB2 CYS A 18 5.633 -3.617 -0.777 1.00 0.00 H new ATOM 0 HB3 CYS A 18 4.743 -2.598 0.337 1.00 0.00 H new ATOM 0 HG CYS A 18 3.431 -1.751 -1.800 1.00 0.00 H new ATOM 240 N GLN A 19 7.925 -3.937 0.870 1.00 0.00 N ATOM 241 CA GLN A 19 8.480 -4.814 1.894 1.00 0.00 C ATOM 242 C GLN A 19 9.540 -4.088 2.716 1.00 0.00 C ATOM 243 O GLN A 19 9.519 -4.127 3.947 1.00 0.00 O ATOM 244 CB GLN A 19 9.083 -6.064 1.253 1.00 0.00 C ATOM 245 CG GLN A 19 8.083 -6.875 0.443 1.00 0.00 C ATOM 246 CD GLN A 19 8.425 -8.352 0.405 1.00 0.00 C ATOM 247 OE1 GLN A 19 9.592 -8.729 0.301 1.00 0.00 O ATOM 248 NE2 GLN A 19 7.404 -9.198 0.489 1.00 0.00 N ATOM 0 H GLN A 19 8.053 -4.271 -0.085 1.00 0.00 H new ATOM 0 HA GLN A 19 7.670 -5.111 2.560 1.00 0.00 H new ATOM 0 HB2 GLN A 19 9.908 -5.768 0.605 1.00 0.00 H new ATOM 0 HB3 GLN A 19 9.503 -6.697 2.035 1.00 0.00 H new ATOM 0 HG2 GLN A 19 7.088 -6.747 0.868 1.00 0.00 H new ATOM 0 HG3 GLN A 19 8.047 -6.488 -0.575 1.00 0.00 H new ATOM 0 HE21 GLN A 19 6.452 -8.842 0.574 1.00 0.00 H new ATOM 0 HE22 GLN A 19 7.572 -10.204 0.468 1.00 0.00 H new ATOM 257 N ARG A 20 10.465 -3.427 2.029 1.00 0.00 N ATOM 258 CA ARG A 20 11.534 -2.694 2.696 1.00 0.00 C ATOM 259 C ARG A 20 10.974 -1.514 3.485 1.00 0.00 C ATOM 260 O ARG A 20 11.281 -1.344 4.665 1.00 0.00 O ATOM 261 CB ARG A 20 12.556 -2.197 1.672 1.00 0.00 C ATOM 262 CG ARG A 20 13.416 -3.304 1.082 1.00 0.00 C ATOM 263 CD ARG A 20 14.450 -3.798 2.082 1.00 0.00 C ATOM 264 NE ARG A 20 15.486 -2.801 2.336 1.00 0.00 N ATOM 265 CZ ARG A 20 15.406 -1.888 3.298 1.00 0.00 C ATOM 266 NH1 ARG A 20 14.345 -1.847 4.092 1.00 0.00 N ATOM 267 NH2 ARG A 20 16.390 -1.014 3.467 1.00 0.00 N ATOM 0 H ARG A 20 10.496 -3.384 1.010 1.00 0.00 H new ATOM 0 HA ARG A 20 12.027 -3.373 3.392 1.00 0.00 H new ATOM 0 HB2 ARG A 20 12.030 -1.688 0.864 1.00 0.00 H new ATOM 0 HB3 ARG A 20 13.203 -1.459 2.146 1.00 0.00 H new ATOM 0 HG2 ARG A 20 12.781 -4.134 0.773 1.00 0.00 H new ATOM 0 HG3 ARG A 20 13.919 -2.938 0.187 1.00 0.00 H new ATOM 0 HD2 ARG A 20 13.955 -4.053 3.019 1.00 0.00 H new ATOM 0 HD3 ARG A 20 14.911 -4.711 1.706 1.00 0.00 H new ATOM 0 HE ARG A 20 16.316 -2.806 1.743 1.00 0.00 H new ATOM 0 HH11 ARG A 20 13.587 -2.518 3.965 1.00 0.00 H new ATOM 0 HH12 ARG A 20 14.287 -1.145 4.830 1.00 0.00 H new ATOM 0 HH21 ARG A 20 17.208 -1.043 2.858 1.00 0.00 H new ATOM 0 HH22 ARG A 20 16.328 -0.313 4.206 1.00 0.00 H new ATOM 281 N GLN A 21 10.154 -0.704 2.825 1.00 0.00 N ATOM 282 CA GLN A 21 9.552 0.460 3.465 1.00 0.00 C ATOM 283 C GLN A 21 8.667 0.042 4.634 1.00 0.00 C ATOM 284 O GLN A 21 8.917 0.413 5.781 1.00 0.00 O ATOM 285 CB GLN A 21 8.734 1.261 2.451 1.00 0.00 C ATOM 286 CG GLN A 21 9.576 1.902 1.360 1.00 0.00 C ATOM 287 CD GLN A 21 10.917 2.393 1.870 1.00 0.00 C ATOM 288 OE1 GLN A 21 10.991 3.096 2.878 1.00 0.00 O ATOM 289 NE2 GLN A 21 11.986 2.023 1.175 1.00 0.00 N ATOM 0 H GLN A 21 9.891 -0.832 1.848 1.00 0.00 H new ATOM 0 HA GLN A 21 10.356 1.088 3.849 1.00 0.00 H new ATOM 0 HB2 GLN A 21 7.997 0.603 1.990 1.00 0.00 H new ATOM 0 HB3 GLN A 21 8.181 2.040 2.977 1.00 0.00 H new ATOM 0 HG2 GLN A 21 9.738 1.180 0.560 1.00 0.00 H new ATOM 0 HG3 GLN A 21 9.028 2.739 0.928 1.00 0.00 H new ATOM 0 HE21 GLN A 21 11.878 1.440 0.345 1.00 0.00 H new ATOM 0 HE22 GLN A 21 12.915 2.322 1.471 1.00 0.00 H new ATOM 298 N THR A 22 7.629 -0.733 4.336 1.00 0.00 N ATOM 299 CA THR A 22 6.704 -1.201 5.361 1.00 0.00 C ATOM 300 C THR A 22 7.454 -1.801 6.545 1.00 0.00 C ATOM 301 O THR A 22 7.117 -1.544 7.701 1.00 0.00 O ATOM 302 CB THR A 22 5.729 -2.253 4.800 1.00 0.00 C ATOM 303 OG1 THR A 22 6.442 -3.442 4.444 1.00 0.00 O ATOM 304 CG2 THR A 22 4.992 -1.713 3.584 1.00 0.00 C ATOM 0 H THR A 22 7.408 -1.050 3.392 1.00 0.00 H new ATOM 0 HA THR A 22 6.137 -0.332 5.695 1.00 0.00 H new ATOM 0 HB THR A 22 4.998 -2.488 5.573 1.00 0.00 H new ATOM 0 HG1 THR A 22 7.135 -3.223 3.786 1.00 0.00 H new ATOM 0 HG21 THR A 22 4.309 -2.473 3.205 1.00 0.00 H new ATOM 0 HG22 THR A 22 4.426 -0.825 3.866 1.00 0.00 H new ATOM 0 HG23 THR A 22 5.712 -1.453 2.808 1.00 0.00 H new ATOM 312 N ASP A 23 8.474 -2.600 6.250 1.00 0.00 N ATOM 313 CA ASP A 23 9.273 -3.235 7.291 1.00 0.00 C ATOM 314 C ASP A 23 9.526 -2.271 8.447 1.00 0.00 C ATOM 315 O ASP A 23 10.259 -1.294 8.304 1.00 0.00 O ATOM 316 CB ASP A 23 10.605 -3.721 6.716 1.00 0.00 C ATOM 317 CG ASP A 23 11.482 -4.379 7.763 1.00 0.00 C ATOM 318 OD1 ASP A 23 11.220 -5.551 8.105 1.00 0.00 O ATOM 319 OD2 ASP A 23 12.430 -3.721 8.242 1.00 0.00 O ATOM 0 H ASP A 23 8.767 -2.823 5.299 1.00 0.00 H new ATOM 0 HA ASP A 23 8.715 -4.091 7.671 1.00 0.00 H new ATOM 0 HB2 ASP A 23 10.413 -4.429 5.910 1.00 0.00 H new ATOM 0 HB3 ASP A 23 11.138 -2.877 6.278 1.00 0.00 H new ATOM 324 N GLY A 24 8.912 -2.554 9.592 1.00 0.00 N ATOM 325 CA GLY A 24 9.082 -1.703 10.754 1.00 0.00 C ATOM 326 C GLY A 24 7.781 -1.471 11.498 1.00 0.00 C ATOM 327 O GLY A 24 7.783 -1.232 12.706 1.00 0.00 O ATOM 0 H GLY A 24 8.300 -3.357 9.735 1.00 0.00 H new ATOM 0 HA2 GLY A 24 9.807 -2.156 11.430 1.00 0.00 H new ATOM 0 HA3 GLY A 24 9.494 -0.744 10.441 1.00 0.00 H new ATOM 331 N TYR A 25 6.668 -1.541 10.777 1.00 0.00 N ATOM 332 CA TYR A 25 5.355 -1.333 11.375 1.00 0.00 C ATOM 333 C TYR A 25 4.959 -2.521 12.246 1.00 0.00 C ATOM 334 O TYR A 25 5.710 -3.488 12.376 1.00 0.00 O ATOM 335 CB TYR A 25 4.304 -1.113 10.286 1.00 0.00 C ATOM 336 CG TYR A 25 4.238 0.313 9.788 1.00 0.00 C ATOM 337 CD1 TYR A 25 5.241 0.836 8.982 1.00 0.00 C ATOM 338 CD2 TYR A 25 3.171 1.138 10.124 1.00 0.00 C ATOM 339 CE1 TYR A 25 5.184 2.139 8.526 1.00 0.00 C ATOM 340 CE2 TYR A 25 3.105 2.441 9.672 1.00 0.00 C ATOM 341 CZ TYR A 25 4.114 2.938 8.873 1.00 0.00 C ATOM 342 OH TYR A 25 4.054 4.235 8.420 1.00 0.00 O ATOM 0 H TYR A 25 6.649 -1.740 9.777 1.00 0.00 H new ATOM 0 HA TYR A 25 5.408 -0.445 12.005 1.00 0.00 H new ATOM 0 HB2 TYR A 25 4.520 -1.773 9.446 1.00 0.00 H new ATOM 0 HB3 TYR A 25 3.326 -1.399 10.673 1.00 0.00 H new ATOM 0 HD1 TYR A 25 6.080 0.214 8.707 1.00 0.00 H new ATOM 0 HD2 TYR A 25 2.379 0.753 10.750 1.00 0.00 H new ATOM 0 HE1 TYR A 25 5.973 2.530 7.901 1.00 0.00 H new ATOM 0 HE2 TYR A 25 2.268 3.068 9.942 1.00 0.00 H new ATOM 0 HH TYR A 25 3.813 4.829 9.161 1.00 0.00 H new ATOM 352 N ALA A 26 3.774 -2.441 12.842 1.00 0.00 N ATOM 353 CA ALA A 26 3.275 -3.510 13.698 1.00 0.00 C ATOM 354 C ALA A 26 2.222 -4.345 12.978 1.00 0.00 C ATOM 355 O ALA A 26 1.315 -3.806 12.345 1.00 0.00 O ATOM 356 CB ALA A 26 2.704 -2.932 14.985 1.00 0.00 C ATOM 0 H ALA A 26 3.141 -1.646 12.748 1.00 0.00 H new ATOM 0 HA ALA A 26 4.111 -4.164 13.945 1.00 0.00 H new ATOM 0 HB1 ALA A 26 2.335 -3.741 15.615 1.00 0.00 H new ATOM 0 HB2 ALA A 26 3.484 -2.386 15.516 1.00 0.00 H new ATOM 0 HB3 ALA A 26 1.884 -2.254 14.747 1.00 0.00 H new ATOM 362 N GLY A 27 2.348 -5.665 13.080 1.00 0.00 N ATOM 363 CA GLY A 27 1.401 -6.553 12.432 1.00 0.00 C ATOM 364 C GLY A 27 1.217 -6.232 10.962 1.00 0.00 C ATOM 365 O GLY A 27 0.142 -6.447 10.402 1.00 0.00 O ATOM 0 H GLY A 27 3.089 -6.135 13.600 1.00 0.00 H new ATOM 0 HA2 GLY A 27 1.744 -7.583 12.536 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.438 -6.485 12.939 1.00 0.00 H new ATOM 369 N VAL A 28 2.269 -5.715 10.335 1.00 0.00 N ATOM 370 CA VAL A 28 2.219 -5.363 8.921 1.00 0.00 C ATOM 371 C VAL A 28 3.271 -6.129 8.127 1.00 0.00 C ATOM 372 O VAL A 28 4.307 -5.578 7.756 1.00 0.00 O ATOM 373 CB VAL A 28 2.432 -3.852 8.710 1.00 0.00 C ATOM 374 CG1 VAL A 28 2.559 -3.532 7.229 1.00 0.00 C ATOM 375 CG2 VAL A 28 1.295 -3.062 9.339 1.00 0.00 C ATOM 0 H VAL A 28 3.166 -5.531 10.784 1.00 0.00 H new ATOM 0 HA VAL A 28 1.227 -5.636 8.562 1.00 0.00 H new ATOM 0 HB VAL A 28 3.361 -3.561 9.200 1.00 0.00 H new ATOM 0 HG11 VAL A 28 2.709 -2.460 7.100 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.410 -4.070 6.812 1.00 0.00 H new ATOM 0 HG13 VAL A 28 1.649 -3.836 6.712 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.461 -1.996 9.181 1.00 0.00 H new ATOM 0 HG22 VAL A 28 0.351 -3.354 8.879 1.00 0.00 H new ATOM 0 HG23 VAL A 28 1.257 -3.268 10.409 1.00 0.00 H new ATOM 385 N ASN A 29 2.998 -7.404 7.868 1.00 0.00 N ATOM 386 CA ASN A 29 3.921 -8.247 7.117 1.00 0.00 C ATOM 387 C ASN A 29 3.452 -8.418 5.675 1.00 0.00 C ATOM 388 O ASN A 29 2.570 -9.229 5.390 1.00 0.00 O ATOM 389 CB ASN A 29 4.055 -9.615 7.788 1.00 0.00 C ATOM 390 CG ASN A 29 2.731 -10.349 7.875 1.00 0.00 C ATOM 391 OD1 ASN A 29 1.910 -10.068 8.749 1.00 0.00 O ATOM 392 ND2 ASN A 29 2.517 -11.294 6.968 1.00 0.00 N ATOM 0 H ASN A 29 2.145 -7.876 8.167 1.00 0.00 H new ATOM 0 HA ASN A 29 4.895 -7.758 7.107 1.00 0.00 H new ATOM 0 HB2 ASN A 29 4.768 -10.222 7.230 1.00 0.00 H new ATOM 0 HB3 ASN A 29 4.462 -9.486 8.791 1.00 0.00 H new ATOM 0 HD21 ASN A 29 1.644 -11.821 6.977 1.00 0.00 H new ATOM 0 HD22 ASN A 29 3.226 -11.493 6.262 1.00 0.00 H new ATOM 399 N VAL A 30 4.047 -7.649 4.769 1.00 0.00 N ATOM 400 CA VAL A 30 3.692 -7.716 3.357 1.00 0.00 C ATOM 401 C VAL A 30 4.424 -8.858 2.660 1.00 0.00 C ATOM 402 O VAL A 30 5.546 -8.691 2.181 1.00 0.00 O ATOM 403 CB VAL A 30 4.015 -6.396 2.633 1.00 0.00 C ATOM 404 CG1 VAL A 30 3.595 -6.470 1.173 1.00 0.00 C ATOM 405 CG2 VAL A 30 3.339 -5.226 3.332 1.00 0.00 C ATOM 0 H VAL A 30 4.778 -6.972 4.988 1.00 0.00 H new ATOM 0 HA VAL A 30 2.618 -7.894 3.309 1.00 0.00 H new ATOM 0 HB VAL A 30 5.093 -6.237 2.668 1.00 0.00 H new ATOM 0 HG11 VAL A 30 3.831 -5.528 0.678 1.00 0.00 H new ATOM 0 HG12 VAL A 30 4.130 -7.282 0.681 1.00 0.00 H new ATOM 0 HG13 VAL A 30 2.522 -6.653 1.112 1.00 0.00 H new ATOM 0 HG21 VAL A 30 3.578 -4.301 2.807 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.259 -5.376 3.330 1.00 0.00 H new ATOM 0 HG23 VAL A 30 3.695 -5.162 4.360 1.00 0.00 H new ATOM 415 N THR A 31 3.781 -10.021 2.606 1.00 0.00 N ATOM 416 CA THR A 31 4.371 -11.191 1.969 1.00 0.00 C ATOM 417 C THR A 31 3.731 -11.458 0.611 1.00 0.00 C ATOM 418 O THR A 31 3.929 -12.519 0.019 1.00 0.00 O ATOM 419 CB THR A 31 4.222 -12.446 2.850 1.00 0.00 C ATOM 420 OG1 THR A 31 5.076 -13.488 2.366 1.00 0.00 O ATOM 421 CG2 THR A 31 2.780 -12.930 2.863 1.00 0.00 C ATOM 0 H THR A 31 2.851 -10.177 2.996 1.00 0.00 H new ATOM 0 HA THR A 31 5.431 -10.976 1.833 1.00 0.00 H new ATOM 0 HB THR A 31 4.510 -12.185 3.868 1.00 0.00 H new ATOM 0 HG1 THR A 31 5.026 -13.524 1.388 1.00 0.00 H new ATOM 0 HG21 THR A 31 2.700 -13.817 3.491 1.00 0.00 H new ATOM 0 HG22 THR A 31 2.136 -12.145 3.259 1.00 0.00 H new ATOM 0 HG23 THR A 31 2.469 -13.176 1.847 1.00 0.00 H new ATOM 429 N ASP A 32 2.963 -10.490 0.123 1.00 0.00 N ATOM 430 CA ASP A 32 2.295 -10.621 -1.166 1.00 0.00 C ATOM 431 C ASP A 32 1.750 -9.275 -1.635 1.00 0.00 C ATOM 432 O ASP A 32 1.977 -8.245 -0.998 1.00 0.00 O ATOM 433 CB ASP A 32 1.159 -11.641 -1.075 1.00 0.00 C ATOM 434 CG ASP A 32 0.854 -12.288 -2.412 1.00 0.00 C ATOM 435 OD1 ASP A 32 1.662 -13.126 -2.863 1.00 0.00 O ATOM 436 OD2 ASP A 32 -0.193 -11.957 -3.007 1.00 0.00 O ATOM 0 H ASP A 32 2.788 -9.606 0.601 1.00 0.00 H new ATOM 0 HA ASP A 32 3.028 -10.970 -1.893 1.00 0.00 H new ATOM 0 HB2 ASP A 32 1.425 -12.413 -0.353 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.262 -11.149 -0.700 1.00 0.00 H new ATOM 441 N LEU A 33 1.031 -9.290 -2.751 1.00 0.00 N ATOM 442 CA LEU A 33 0.454 -8.070 -3.306 1.00 0.00 C ATOM 443 C LEU A 33 -1.048 -8.228 -3.522 1.00 0.00 C ATOM 444 O LEU A 33 -1.622 -7.631 -4.434 1.00 0.00 O ATOM 445 CB LEU A 33 1.136 -7.716 -4.629 1.00 0.00 C ATOM 446 CG LEU A 33 2.656 -7.555 -4.578 1.00 0.00 C ATOM 447 CD1 LEU A 33 3.244 -7.594 -5.980 1.00 0.00 C ATOM 448 CD2 LEU A 33 3.031 -6.258 -3.876 1.00 0.00 C ATOM 0 H LEU A 33 0.833 -10.133 -3.290 1.00 0.00 H new ATOM 0 HA LEU A 33 0.617 -7.263 -2.592 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.897 -8.491 -5.357 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.704 -6.786 -5.000 1.00 0.00 H new ATOM 0 HG LEU A 33 3.072 -8.386 -4.009 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.326 -7.478 -5.924 1.00 0.00 H new ATOM 0 HD12 LEU A 33 3.005 -8.549 -6.448 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.822 -6.783 -6.574 1.00 0.00 H new ATOM 0 HD21 LEU A 33 4.116 -6.160 -3.849 1.00 0.00 H new ATOM 0 HD22 LEU A 33 2.604 -5.414 -4.418 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.642 -6.270 -2.858 1.00 0.00 H new ATOM 460 N THR A 34 -1.681 -9.033 -2.675 1.00 0.00 N ATOM 461 CA THR A 34 -3.116 -9.268 -2.772 1.00 0.00 C ATOM 462 C THR A 34 -3.784 -9.163 -1.405 1.00 0.00 C ATOM 463 O THR A 34 -4.464 -8.180 -1.111 1.00 0.00 O ATOM 464 CB THR A 34 -3.420 -10.654 -3.373 1.00 0.00 C ATOM 465 OG1 THR A 34 -2.725 -11.669 -2.639 1.00 0.00 O ATOM 466 CG2 THR A 34 -3.010 -10.710 -4.837 1.00 0.00 C ATOM 0 H THR A 34 -1.222 -9.533 -1.914 1.00 0.00 H new ATOM 0 HA THR A 34 -3.518 -8.498 -3.431 1.00 0.00 H new ATOM 0 HB THR A 34 -4.494 -10.828 -3.305 1.00 0.00 H new ATOM 0 HG1 THR A 34 -1.889 -11.891 -3.100 1.00 0.00 H new ATOM 0 HG21 THR A 34 -3.234 -11.698 -5.240 1.00 0.00 H new ATOM 0 HG22 THR A 34 -3.561 -9.955 -5.398 1.00 0.00 H new ATOM 0 HG23 THR A 34 -1.941 -10.517 -4.923 1.00 0.00 H new ATOM 474 N MET A 35 -3.586 -10.181 -0.575 1.00 0.00 N ATOM 475 CA MET A 35 -4.168 -10.200 0.762 1.00 0.00 C ATOM 476 C MET A 35 -3.325 -9.381 1.734 1.00 0.00 C ATOM 477 O MET A 35 -3.815 -8.934 2.771 1.00 0.00 O ATOM 478 CB MET A 35 -4.294 -11.639 1.266 1.00 0.00 C ATOM 479 CG MET A 35 -2.961 -12.274 1.632 1.00 0.00 C ATOM 480 SD MET A 35 -3.112 -14.026 2.028 1.00 0.00 S ATOM 481 CE MET A 35 -4.000 -13.946 3.582 1.00 0.00 C ATOM 0 H MET A 35 -3.027 -11.003 -0.804 1.00 0.00 H new ATOM 0 HA MET A 35 -5.161 -9.754 0.705 1.00 0.00 H new ATOM 0 HB2 MET A 35 -4.946 -11.654 2.139 1.00 0.00 H new ATOM 0 HB3 MET A 35 -4.776 -12.243 0.498 1.00 0.00 H new ATOM 0 HG2 MET A 35 -2.265 -12.152 0.802 1.00 0.00 H new ATOM 0 HG3 MET A 35 -2.535 -11.748 2.486 1.00 0.00 H new ATOM 0 HE1 MET A 35 -4.015 -14.933 4.044 1.00 0.00 H new ATOM 0 HE2 MET A 35 -3.503 -13.241 4.249 1.00 0.00 H new ATOM 0 HE3 MET A 35 -5.022 -13.615 3.400 1.00 0.00 H new ATOM 491 N SER A 36 -2.055 -9.188 1.392 1.00 0.00 N ATOM 492 CA SER A 36 -1.143 -8.426 2.237 1.00 0.00 C ATOM 493 C SER A 36 -1.647 -6.998 2.431 1.00 0.00 C ATOM 494 O SER A 36 -1.321 -6.342 3.420 1.00 0.00 O ATOM 495 CB SER A 36 0.258 -8.405 1.623 1.00 0.00 C ATOM 496 OG SER A 36 0.870 -9.680 1.705 1.00 0.00 O ATOM 0 H SER A 36 -1.634 -9.549 0.536 1.00 0.00 H new ATOM 0 HA SER A 36 -1.098 -8.913 3.211 1.00 0.00 H new ATOM 0 HB2 SER A 36 0.197 -8.094 0.580 1.00 0.00 H new ATOM 0 HB3 SER A 36 0.874 -7.669 2.140 1.00 0.00 H new ATOM 0 HG SER A 36 0.802 -10.017 2.623 1.00 0.00 H new ATOM 502 N TRP A 37 -2.444 -6.525 1.480 1.00 0.00 N ATOM 503 CA TRP A 37 -2.994 -5.176 1.545 1.00 0.00 C ATOM 504 C TRP A 37 -4.480 -5.209 1.882 1.00 0.00 C ATOM 505 O TRP A 37 -5.014 -4.272 2.476 1.00 0.00 O ATOM 506 CB TRP A 37 -2.776 -4.450 0.216 1.00 0.00 C ATOM 507 CG TRP A 37 -1.348 -4.462 -0.240 1.00 0.00 C ATOM 508 CD1 TRP A 37 -0.677 -5.510 -0.803 1.00 0.00 C ATOM 509 CD2 TRP A 37 -0.417 -3.378 -0.170 1.00 0.00 C ATOM 510 NE1 TRP A 37 0.616 -5.142 -1.088 1.00 0.00 N ATOM 511 CE2 TRP A 37 0.800 -3.838 -0.710 1.00 0.00 C ATOM 512 CE3 TRP A 37 -0.492 -2.061 0.293 1.00 0.00 C ATOM 513 CZ2 TRP A 37 1.930 -3.029 -0.796 1.00 0.00 C ATOM 514 CZ3 TRP A 37 0.630 -1.259 0.207 1.00 0.00 C ATOM 515 CH2 TRP A 37 1.827 -1.745 -0.334 1.00 0.00 C ATOM 0 H TRP A 37 -2.724 -7.055 0.655 1.00 0.00 H new ATOM 0 HA TRP A 37 -2.474 -4.636 2.336 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -3.398 -4.914 -0.549 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -3.110 -3.417 0.315 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -1.100 -6.485 -0.996 1.00 0.00 H new ATOM 0 HE1 TRP A 37 1.324 -5.742 -1.512 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -1.411 -1.677 0.711 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 2.854 -3.401 -1.212 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 0.583 -0.240 0.563 1.00 0.00 H new ATOM 0 HH2 TRP A 37 2.686 -1.093 -0.388 1.00 0.00 H new ATOM 526 N LYS A 38 -5.145 -6.295 1.501 1.00 0.00 N ATOM 527 CA LYS A 38 -6.570 -6.451 1.764 1.00 0.00 C ATOM 528 C LYS A 38 -6.943 -5.854 3.117 1.00 0.00 C ATOM 529 O LYS A 38 -7.913 -5.106 3.230 1.00 0.00 O ATOM 530 CB LYS A 38 -6.958 -7.931 1.724 1.00 0.00 C ATOM 531 CG LYS A 38 -7.364 -8.416 0.343 1.00 0.00 C ATOM 532 CD LYS A 38 -7.888 -9.842 0.384 1.00 0.00 C ATOM 533 CE LYS A 38 -9.276 -9.908 1.003 1.00 0.00 C ATOM 534 NZ LYS A 38 -9.220 -9.936 2.491 1.00 0.00 N ATOM 0 H LYS A 38 -4.719 -7.080 1.009 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.117 -5.916 0.988 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.117 -8.528 2.077 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -7.782 -8.101 2.416 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -8.131 -7.757 -0.064 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -6.508 -8.361 -0.329 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -7.920 -10.248 -0.627 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -7.203 -10.466 0.957 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -9.860 -9.047 0.678 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -9.792 -10.798 0.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -9.821 -10.707 2.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -8.239 -10.092 2.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -9.561 -9.029 2.868 1.00 0.00 H new ATOM 548 N SER A 39 -6.164 -6.190 4.141 1.00 0.00 N ATOM 549 CA SER A 39 -6.414 -5.688 5.488 1.00 0.00 C ATOM 550 C SER A 39 -6.609 -4.175 5.476 1.00 0.00 C ATOM 551 O SER A 39 -7.610 -3.663 5.975 1.00 0.00 O ATOM 552 CB SER A 39 -5.255 -6.058 6.415 1.00 0.00 C ATOM 553 OG SER A 39 -5.428 -5.486 7.700 1.00 0.00 O ATOM 0 H SER A 39 -5.355 -6.807 4.064 1.00 0.00 H new ATOM 0 HA SER A 39 -7.328 -6.151 5.859 1.00 0.00 H new ATOM 0 HB2 SER A 39 -5.187 -7.142 6.502 1.00 0.00 H new ATOM 0 HB3 SER A 39 -4.315 -5.713 5.983 1.00 0.00 H new ATOM 0 HG SER A 39 -4.675 -5.738 8.274 1.00 0.00 H new ATOM 559 N GLY A 40 -5.643 -3.464 4.902 1.00 0.00 N ATOM 560 CA GLY A 40 -5.726 -2.017 4.836 1.00 0.00 C ATOM 561 C GLY A 40 -4.576 -1.337 5.553 1.00 0.00 C ATOM 562 O GLY A 40 -4.167 -0.236 5.181 1.00 0.00 O ATOM 0 H GLY A 40 -4.804 -3.865 4.482 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -5.735 -1.704 3.792 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.668 -1.690 5.275 1.00 0.00 H new ATOM 566 N LEU A 41 -4.054 -1.991 6.584 1.00 0.00 N ATOM 567 CA LEU A 41 -2.945 -1.442 7.357 1.00 0.00 C ATOM 568 C LEU A 41 -1.767 -1.100 6.450 1.00 0.00 C ATOM 569 O LEU A 41 -1.385 0.063 6.325 1.00 0.00 O ATOM 570 CB LEU A 41 -2.504 -2.438 8.431 1.00 0.00 C ATOM 571 CG LEU A 41 -3.560 -2.816 9.470 1.00 0.00 C ATOM 572 CD1 LEU A 41 -3.039 -3.912 10.386 1.00 0.00 C ATOM 573 CD2 LEU A 41 -3.975 -1.595 10.278 1.00 0.00 C ATOM 0 H LEU A 41 -4.381 -2.903 6.905 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.288 -0.526 7.838 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.167 -3.349 7.937 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.643 -2.021 8.953 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.438 -3.195 8.946 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -3.804 -4.168 11.119 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.793 -4.794 9.795 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.145 -3.561 10.902 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.727 -1.883 11.012 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.105 -1.185 10.791 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -4.391 -0.841 9.610 1.00 0.00 H new ATOM 585 N ALA A 42 -1.196 -2.121 5.819 1.00 0.00 N ATOM 586 CA ALA A 42 -0.065 -1.927 4.920 1.00 0.00 C ATOM 587 C ALA A 42 -0.203 -0.627 4.135 1.00 0.00 C ATOM 588 O ALA A 42 0.623 0.278 4.262 1.00 0.00 O ATOM 589 CB ALA A 42 0.063 -3.109 3.970 1.00 0.00 C ATOM 0 H ALA A 42 -1.498 -3.091 5.914 1.00 0.00 H new ATOM 0 HA ALA A 42 0.840 -1.861 5.524 1.00 0.00 H new ATOM 0 HB1 ALA A 42 0.912 -2.951 3.304 1.00 0.00 H new ATOM 0 HB2 ALA A 42 0.218 -4.022 4.544 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -0.849 -3.202 3.380 1.00 0.00 H new ATOM 595 N LEU A 43 -1.251 -0.541 3.324 1.00 0.00 N ATOM 596 CA LEU A 43 -1.498 0.649 2.516 1.00 0.00 C ATOM 597 C LEU A 43 -1.355 1.915 3.355 1.00 0.00 C ATOM 598 O LEU A 43 -0.769 2.903 2.910 1.00 0.00 O ATOM 599 CB LEU A 43 -2.895 0.589 1.898 1.00 0.00 C ATOM 600 CG LEU A 43 -3.238 1.701 0.905 1.00 0.00 C ATOM 601 CD1 LEU A 43 -2.120 1.873 -0.111 1.00 0.00 C ATOM 602 CD2 LEU A 43 -4.556 1.403 0.205 1.00 0.00 C ATOM 0 H LEU A 43 -1.944 -1.281 3.208 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.756 0.677 1.718 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -3.006 -0.370 1.392 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.628 0.610 2.704 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.346 2.634 1.457 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.382 2.668 -0.809 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.196 2.133 0.405 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.980 0.941 -0.659 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -4.784 2.204 -0.498 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -4.476 0.459 -0.335 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -5.353 1.332 0.945 1.00 0.00 H new ATOM 614 N CYS A 44 -1.891 1.878 4.570 1.00 0.00 N ATOM 615 CA CYS A 44 -1.821 3.022 5.472 1.00 0.00 C ATOM 616 C CYS A 44 -0.399 3.224 5.985 1.00 0.00 C ATOM 617 O CYS A 44 0.015 4.348 6.269 1.00 0.00 O ATOM 618 CB CYS A 44 -2.778 2.828 6.649 1.00 0.00 C ATOM 619 SG CYS A 44 -4.519 2.717 6.174 1.00 0.00 S ATOM 0 H CYS A 44 -2.379 1.068 4.953 1.00 0.00 H new ATOM 0 HA CYS A 44 -2.116 3.911 4.915 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -2.500 1.920 7.184 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -2.654 3.658 7.345 1.00 0.00 H new ATOM 0 HG CYS A 44 -4.760 1.539 5.680 1.00 0.00 H new ATOM 625 N ALA A 45 0.343 2.128 6.103 1.00 0.00 N ATOM 626 CA ALA A 45 1.719 2.185 6.582 1.00 0.00 C ATOM 627 C ALA A 45 2.630 2.851 5.557 1.00 0.00 C ATOM 628 O ALA A 45 3.699 3.358 5.899 1.00 0.00 O ATOM 629 CB ALA A 45 2.222 0.787 6.909 1.00 0.00 C ATOM 0 H ALA A 45 0.015 1.190 5.874 1.00 0.00 H new ATOM 0 HA ALA A 45 1.737 2.787 7.490 1.00 0.00 H new ATOM 0 HB1 ALA A 45 3.250 0.844 7.265 1.00 0.00 H new ATOM 0 HB2 ALA A 45 1.594 0.346 7.683 1.00 0.00 H new ATOM 0 HB3 ALA A 45 2.183 0.167 6.013 1.00 0.00 H new ATOM 635 N ILE A 46 2.200 2.847 4.300 1.00 0.00 N ATOM 636 CA ILE A 46 2.978 3.452 3.225 1.00 0.00 C ATOM 637 C ILE A 46 2.915 4.974 3.291 1.00 0.00 C ATOM 638 O ILE A 46 3.934 5.640 3.474 1.00 0.00 O ATOM 639 CB ILE A 46 2.484 2.987 1.842 1.00 0.00 C ATOM 640 CG1 ILE A 46 2.583 1.465 1.726 1.00 0.00 C ATOM 641 CG2 ILE A 46 3.286 3.662 0.739 1.00 0.00 C ATOM 642 CD1 ILE A 46 4.004 0.947 1.777 1.00 0.00 C ATOM 0 H ILE A 46 1.318 2.432 4.001 1.00 0.00 H new ATOM 0 HA ILE A 46 4.010 3.128 3.360 1.00 0.00 H new ATOM 0 HB ILE A 46 1.438 3.273 1.731 1.00 0.00 H new ATOM 0 HG12 ILE A 46 2.009 1.009 2.533 1.00 0.00 H new ATOM 0 HG13 ILE A 46 2.123 1.149 0.790 1.00 0.00 H new ATOM 0 HG21 ILE A 46 2.925 3.323 -0.232 1.00 0.00 H new ATOM 0 HG22 ILE A 46 3.168 4.743 0.813 1.00 0.00 H new ATOM 0 HG23 ILE A 46 4.340 3.404 0.845 1.00 0.00 H new ATOM 0 HD11 ILE A 46 3.999 -0.139 1.689 1.00 0.00 H new ATOM 0 HD12 ILE A 46 4.577 1.375 0.954 1.00 0.00 H new ATOM 0 HD13 ILE A 46 4.461 1.232 2.724 1.00 0.00 H new ATOM 654 N ILE A 47 1.712 5.518 3.141 1.00 0.00 N ATOM 655 CA ILE A 47 1.515 6.961 3.186 1.00 0.00 C ATOM 656 C ILE A 47 2.078 7.552 4.474 1.00 0.00 C ATOM 657 O ILE A 47 2.713 8.607 4.460 1.00 0.00 O ATOM 658 CB ILE A 47 0.024 7.330 3.073 1.00 0.00 C ATOM 659 CG1 ILE A 47 -0.524 6.915 1.706 1.00 0.00 C ATOM 660 CG2 ILE A 47 -0.170 8.822 3.297 1.00 0.00 C ATOM 661 CD1 ILE A 47 -2.035 6.894 1.642 1.00 0.00 C ATOM 0 H ILE A 47 0.859 4.981 2.987 1.00 0.00 H new ATOM 0 HA ILE A 47 2.049 7.379 2.333 1.00 0.00 H new ATOM 0 HB ILE A 47 -0.528 6.792 3.843 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -0.146 7.601 0.948 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.144 5.924 1.457 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -1.229 9.068 3.214 1.00 0.00 H new ATOM 0 HG22 ILE A 47 0.188 9.090 4.291 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.392 9.379 2.547 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -2.353 6.591 0.644 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -2.420 6.186 2.376 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -2.422 7.889 1.860 1.00 0.00 H new ATOM 673 N HIS A 48 1.841 6.865 5.587 1.00 0.00 N ATOM 674 CA HIS A 48 2.326 7.321 6.885 1.00 0.00 C ATOM 675 C HIS A 48 3.847 7.231 6.958 1.00 0.00 C ATOM 676 O HIS A 48 4.515 8.175 7.382 1.00 0.00 O ATOM 677 CB HIS A 48 1.700 6.492 8.007 1.00 0.00 C ATOM 678 CG HIS A 48 2.084 6.954 9.379 1.00 0.00 C ATOM 679 ND1 HIS A 48 3.360 6.825 9.887 1.00 0.00 N ATOM 680 CD2 HIS A 48 1.353 7.549 10.350 1.00 0.00 C ATOM 681 CE1 HIS A 48 3.396 7.319 11.112 1.00 0.00 C ATOM 682 NE2 HIS A 48 2.190 7.765 11.416 1.00 0.00 N ATOM 0 H HIS A 48 1.316 5.991 5.616 1.00 0.00 H new ATOM 0 HA HIS A 48 2.035 8.364 7.008 1.00 0.00 H new ATOM 0 HB2 HIS A 48 0.615 6.527 7.911 1.00 0.00 H new ATOM 0 HB3 HIS A 48 1.997 5.450 7.887 1.00 0.00 H new ATOM 0 HD2 HIS A 48 0.305 7.806 10.296 1.00 0.00 H new ATOM 0 HE1 HIS A 48 4.263 7.352 11.755 1.00 0.00 H new ATOM 0 HE2 HIS A 48 1.924 8.199 12.300 1.00 0.00 H new ATOM 691 N ARG A 49 4.389 6.090 6.544 1.00 0.00 N ATOM 692 CA ARG A 49 5.831 5.877 6.565 1.00 0.00 C ATOM 693 C ARG A 49 6.575 7.159 6.204 1.00 0.00 C ATOM 694 O ARG A 49 7.487 7.582 6.916 1.00 0.00 O ATOM 695 CB ARG A 49 6.217 4.760 5.594 1.00 0.00 C ATOM 696 CG ARG A 49 7.716 4.635 5.374 1.00 0.00 C ATOM 697 CD ARG A 49 8.369 3.788 6.454 1.00 0.00 C ATOM 698 NE ARG A 49 9.819 3.960 6.483 1.00 0.00 N ATOM 699 CZ ARG A 49 10.419 5.085 6.853 1.00 0.00 C ATOM 700 NH1 ARG A 49 9.697 6.134 7.224 1.00 0.00 N ATOM 701 NH2 ARG A 49 11.743 5.164 6.852 1.00 0.00 N ATOM 0 H ARG A 49 3.851 5.299 6.190 1.00 0.00 H new ATOM 0 HA ARG A 49 6.115 5.585 7.576 1.00 0.00 H new ATOM 0 HB2 ARG A 49 5.834 3.812 5.973 1.00 0.00 H new ATOM 0 HB3 ARG A 49 5.731 4.940 4.635 1.00 0.00 H new ATOM 0 HG2 ARG A 49 7.906 4.190 4.397 1.00 0.00 H new ATOM 0 HG3 ARG A 49 8.168 5.627 5.366 1.00 0.00 H new ATOM 0 HD2 ARG A 49 7.953 4.055 7.425 1.00 0.00 H new ATOM 0 HD3 ARG A 49 8.132 2.738 6.284 1.00 0.00 H new ATOM 0 HE ARG A 49 10.403 3.172 6.203 1.00 0.00 H new ATOM 0 HH11 ARG A 49 8.679 6.077 7.225 1.00 0.00 H new ATOM 0 HH12 ARG A 49 10.160 6.997 7.508 1.00 0.00 H new ATOM 0 HH21 ARG A 49 12.302 4.360 6.567 1.00 0.00 H new ATOM 0 HH22 ARG A 49 12.202 6.029 7.137 1.00 0.00 H new ATOM 715 N TYR A 50 6.182 7.773 5.093 1.00 0.00 N ATOM 716 CA TYR A 50 6.813 9.005 4.636 1.00 0.00 C ATOM 717 C TYR A 50 6.130 10.226 5.243 1.00 0.00 C ATOM 718 O TYR A 50 6.781 11.084 5.838 1.00 0.00 O ATOM 719 CB TYR A 50 6.769 9.088 3.109 1.00 0.00 C ATOM 720 CG TYR A 50 7.660 8.078 2.421 1.00 0.00 C ATOM 721 CD1 TYR A 50 7.409 6.716 2.528 1.00 0.00 C ATOM 722 CD2 TYR A 50 8.751 8.486 1.665 1.00 0.00 C ATOM 723 CE1 TYR A 50 8.220 5.789 1.902 1.00 0.00 C ATOM 724 CE2 TYR A 50 9.567 7.567 1.034 1.00 0.00 C ATOM 725 CZ TYR A 50 9.298 6.220 1.156 1.00 0.00 C ATOM 726 OH TYR A 50 10.109 5.301 0.530 1.00 0.00 O ATOM 0 H TYR A 50 5.429 7.437 4.492 1.00 0.00 H new ATOM 0 HA TYR A 50 7.853 8.994 4.964 1.00 0.00 H new ATOM 0 HB2 TYR A 50 5.742 8.941 2.775 1.00 0.00 H new ATOM 0 HB3 TYR A 50 7.064 10.091 2.799 1.00 0.00 H new ATOM 0 HD1 TYR A 50 6.566 6.376 3.110 1.00 0.00 H new ATOM 0 HD2 TYR A 50 8.965 9.540 1.569 1.00 0.00 H new ATOM 0 HE1 TYR A 50 8.012 4.733 1.996 1.00 0.00 H new ATOM 0 HE2 TYR A 50 10.411 7.902 0.449 1.00 0.00 H new ATOM 0 HH TYR A 50 9.579 4.775 -0.105 1.00 0.00 H new ATOM 736 N ARG A 51 4.811 10.295 5.089 1.00 0.00 N ATOM 737 CA ARG A 51 4.038 11.411 5.621 1.00 0.00 C ATOM 738 C ARG A 51 2.976 10.918 6.599 1.00 0.00 C ATOM 739 O ARG A 51 1.879 10.514 6.212 1.00 0.00 O ATOM 740 CB ARG A 51 3.376 12.189 4.483 1.00 0.00 C ATOM 741 CG ARG A 51 4.351 12.643 3.408 1.00 0.00 C ATOM 742 CD ARG A 51 3.861 13.900 2.707 1.00 0.00 C ATOM 743 NE ARG A 51 4.731 14.283 1.598 1.00 0.00 N ATOM 744 CZ ARG A 51 5.952 14.781 1.761 1.00 0.00 C ATOM 745 NH1 ARG A 51 6.444 14.955 2.980 1.00 0.00 N ATOM 746 NH2 ARG A 51 6.684 15.106 0.702 1.00 0.00 N ATOM 0 H ARG A 51 4.256 9.592 4.601 1.00 0.00 H new ATOM 0 HA ARG A 51 4.721 12.072 6.155 1.00 0.00 H new ATOM 0 HB2 ARG A 51 2.609 11.565 4.025 1.00 0.00 H new ATOM 0 HB3 ARG A 51 2.872 13.062 4.896 1.00 0.00 H new ATOM 0 HG2 ARG A 51 5.326 12.832 3.856 1.00 0.00 H new ATOM 0 HG3 ARG A 51 4.485 11.846 2.677 1.00 0.00 H new ATOM 0 HD2 ARG A 51 2.850 13.736 2.335 1.00 0.00 H new ATOM 0 HD3 ARG A 51 3.808 14.718 3.425 1.00 0.00 H new ATOM 0 HE ARG A 51 4.382 14.162 0.647 1.00 0.00 H new ATOM 0 HH11 ARG A 51 5.885 14.706 3.796 1.00 0.00 H new ATOM 0 HH12 ARG A 51 7.382 15.338 3.102 1.00 0.00 H new ATOM 0 HH21 ARG A 51 6.309 14.973 -0.237 1.00 0.00 H new ATOM 0 HH22 ARG A 51 7.621 15.488 0.828 1.00 0.00 H new ATOM 760 N PRO A 52 3.307 10.950 7.899 1.00 0.00 N ATOM 761 CA PRO A 52 2.395 10.510 8.959 1.00 0.00 C ATOM 762 C PRO A 52 1.213 11.457 9.136 1.00 0.00 C ATOM 763 O PRO A 52 0.243 11.132 9.822 1.00 0.00 O ATOM 764 CB PRO A 52 3.277 10.516 10.210 1.00 0.00 C ATOM 765 CG PRO A 52 4.349 11.507 9.913 1.00 0.00 C ATOM 766 CD PRO A 52 4.597 11.419 8.433 1.00 0.00 C ATOM 0 HA PRO A 52 1.951 9.539 8.738 1.00 0.00 H new ATOM 0 HB2 PRO A 52 2.708 10.802 11.094 1.00 0.00 H new ATOM 0 HB3 PRO A 52 3.694 9.528 10.405 1.00 0.00 H new ATOM 0 HG2 PRO A 52 4.040 12.513 10.198 1.00 0.00 H new ATOM 0 HG3 PRO A 52 5.256 11.281 10.475 1.00 0.00 H new ATOM 0 HD2 PRO A 52 4.878 12.385 8.014 1.00 0.00 H new ATOM 0 HD3 PRO A 52 5.404 10.724 8.201 1.00 0.00 H new ATOM 774 N ASP A 53 1.299 12.627 8.514 1.00 0.00 N ATOM 775 CA ASP A 53 0.235 13.620 8.602 1.00 0.00 C ATOM 776 C ASP A 53 -0.975 13.195 7.776 1.00 0.00 C ATOM 777 O ASP A 53 -2.091 13.105 8.290 1.00 0.00 O ATOM 778 CB ASP A 53 0.740 14.983 8.126 1.00 0.00 C ATOM 779 CG ASP A 53 -0.143 16.123 8.594 1.00 0.00 C ATOM 780 OD1 ASP A 53 -0.036 16.508 9.777 1.00 0.00 O ATOM 781 OD2 ASP A 53 -0.940 16.631 7.778 1.00 0.00 O ATOM 0 H ASP A 53 2.095 12.911 7.943 1.00 0.00 H new ATOM 0 HA ASP A 53 -0.070 13.698 9.646 1.00 0.00 H new ATOM 0 HB2 ASP A 53 1.755 15.139 8.492 1.00 0.00 H new ATOM 0 HB3 ASP A 53 0.789 14.989 7.037 1.00 0.00 H new ATOM 786 N LEU A 54 -0.747 12.935 6.493 1.00 0.00 N ATOM 787 CA LEU A 54 -1.819 12.520 5.594 1.00 0.00 C ATOM 788 C LEU A 54 -2.707 11.470 6.254 1.00 0.00 C ATOM 789 O LEU A 54 -3.912 11.669 6.406 1.00 0.00 O ATOM 790 CB LEU A 54 -1.234 11.966 4.294 1.00 0.00 C ATOM 791 CG LEU A 54 -0.085 12.766 3.680 1.00 0.00 C ATOM 792 CD1 LEU A 54 0.292 12.200 2.319 1.00 0.00 C ATOM 793 CD2 LEU A 54 -0.461 14.236 3.563 1.00 0.00 C ATOM 0 H LEU A 54 0.170 13.004 6.052 1.00 0.00 H new ATOM 0 HA LEU A 54 -2.429 13.394 5.367 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -0.884 10.951 4.480 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -2.036 11.897 3.559 1.00 0.00 H new ATOM 0 HG LEU A 54 0.781 12.685 4.337 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.111 12.782 1.897 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.604 11.162 2.431 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -0.569 12.250 1.653 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.369 14.790 3.124 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.341 14.337 2.928 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.680 14.635 4.553 1.00 0.00 H new ATOM 805 N ILE A 55 -2.102 10.354 6.647 1.00 0.00 N ATOM 806 CA ILE A 55 -2.838 9.275 7.294 1.00 0.00 C ATOM 807 C ILE A 55 -2.262 8.965 8.671 1.00 0.00 C ATOM 808 O ILE A 55 -1.048 9.010 8.872 1.00 0.00 O ATOM 809 CB ILE A 55 -2.820 7.991 6.442 1.00 0.00 C ATOM 810 CG1 ILE A 55 -4.033 7.118 6.770 1.00 0.00 C ATOM 811 CG2 ILE A 55 -1.528 7.221 6.672 1.00 0.00 C ATOM 812 CD1 ILE A 55 -4.447 6.208 5.635 1.00 0.00 C ATOM 0 H ILE A 55 -1.105 10.174 6.529 1.00 0.00 H new ATOM 0 HA ILE A 55 -3.868 9.616 7.402 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.871 8.270 5.390 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -3.808 6.512 7.647 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -4.873 7.761 7.034 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -1.530 6.317 6.063 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -0.678 7.844 6.393 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -1.449 6.950 7.725 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -5.313 5.619 5.938 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -4.704 6.809 4.763 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -3.623 5.540 5.385 1.00 0.00 H new ATOM 824 N ASP A 56 -3.141 8.650 9.616 1.00 0.00 N ATOM 825 CA ASP A 56 -2.720 8.329 10.975 1.00 0.00 C ATOM 826 C ASP A 56 -2.912 6.845 11.268 1.00 0.00 C ATOM 827 O ASP A 56 -4.036 6.379 11.456 1.00 0.00 O ATOM 828 CB ASP A 56 -3.505 9.167 11.986 1.00 0.00 C ATOM 829 CG ASP A 56 -2.776 9.313 13.307 1.00 0.00 C ATOM 830 OD1 ASP A 56 -2.660 8.304 14.035 1.00 0.00 O ATOM 831 OD2 ASP A 56 -2.322 10.435 13.615 1.00 0.00 O ATOM 0 H ASP A 56 -4.149 8.610 9.466 1.00 0.00 H new ATOM 0 HA ASP A 56 -1.659 8.564 11.065 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -3.692 10.155 11.567 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -4.477 8.705 12.160 1.00 0.00 H new ATOM 836 N PHE A 57 -1.808 6.106 11.305 1.00 0.00 N ATOM 837 CA PHE A 57 -1.855 4.673 11.572 1.00 0.00 C ATOM 838 C PHE A 57 -2.136 4.405 13.048 1.00 0.00 C ATOM 839 O PHE A 57 -2.958 3.554 13.389 1.00 0.00 O ATOM 840 CB PHE A 57 -0.536 4.013 11.165 1.00 0.00 C ATOM 841 CG PHE A 57 -0.617 2.516 11.080 1.00 0.00 C ATOM 842 CD1 PHE A 57 -0.387 1.733 12.200 1.00 0.00 C ATOM 843 CD2 PHE A 57 -0.922 1.891 9.882 1.00 0.00 C ATOM 844 CE1 PHE A 57 -0.459 0.354 12.125 1.00 0.00 C ATOM 845 CE2 PHE A 57 -0.996 0.513 9.801 1.00 0.00 C ATOM 846 CZ PHE A 57 -0.765 -0.256 10.925 1.00 0.00 C ATOM 0 H PHE A 57 -0.870 6.476 11.153 1.00 0.00 H new ATOM 0 HA PHE A 57 -2.665 4.245 10.981 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -0.225 4.408 10.198 1.00 0.00 H new ATOM 0 HB3 PHE A 57 0.236 4.287 11.885 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -0.149 2.205 13.142 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -1.104 2.488 9.000 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -0.276 -0.245 13.005 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -1.234 0.038 8.860 1.00 0.00 H new ATOM 0 HZ PHE A 57 -0.824 -1.333 10.865 1.00 0.00 H new ATOM 856 N ASP A 58 -1.448 5.135 13.918 1.00 0.00 N ATOM 857 CA ASP A 58 -1.623 4.978 15.357 1.00 0.00 C ATOM 858 C ASP A 58 -3.102 4.981 15.728 1.00 0.00 C ATOM 859 O ASP A 58 -3.537 4.223 16.595 1.00 0.00 O ATOM 860 CB ASP A 58 -0.894 6.094 16.106 1.00 0.00 C ATOM 861 CG ASP A 58 0.541 5.729 16.435 1.00 0.00 C ATOM 862 OD1 ASP A 58 1.111 4.871 15.730 1.00 0.00 O ATOM 863 OD2 ASP A 58 1.093 6.302 17.397 1.00 0.00 O ATOM 0 H ASP A 58 -0.763 5.842 13.652 1.00 0.00 H new ATOM 0 HA ASP A 58 -1.196 4.018 15.647 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -0.906 7.001 15.502 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -1.429 6.319 17.028 1.00 0.00 H new ATOM 868 N SER A 59 -3.871 5.840 15.066 1.00 0.00 N ATOM 869 CA SER A 59 -5.301 5.946 15.330 1.00 0.00 C ATOM 870 C SER A 59 -6.052 4.755 14.741 1.00 0.00 C ATOM 871 O SER A 59 -6.930 4.180 15.386 1.00 0.00 O ATOM 872 CB SER A 59 -5.854 7.249 14.749 1.00 0.00 C ATOM 873 OG SER A 59 -7.247 7.361 14.981 1.00 0.00 O ATOM 0 H SER A 59 -3.528 6.472 14.343 1.00 0.00 H new ATOM 0 HA SER A 59 -5.446 5.948 16.410 1.00 0.00 H new ATOM 0 HB2 SER A 59 -5.338 8.098 15.197 1.00 0.00 H new ATOM 0 HB3 SER A 59 -5.657 7.286 13.678 1.00 0.00 H new ATOM 0 HG SER A 59 -7.575 8.203 14.601 1.00 0.00 H new ATOM 879 N LEU A 60 -5.700 4.391 13.513 1.00 0.00 N ATOM 880 CA LEU A 60 -6.340 3.268 12.836 1.00 0.00 C ATOM 881 C LEU A 60 -6.202 1.988 13.654 1.00 0.00 C ATOM 882 O LEU A 60 -5.321 1.876 14.506 1.00 0.00 O ATOM 883 CB LEU A 60 -5.727 3.068 11.448 1.00 0.00 C ATOM 884 CG LEU A 60 -6.014 4.165 10.423 1.00 0.00 C ATOM 885 CD1 LEU A 60 -5.092 4.028 9.222 1.00 0.00 C ATOM 886 CD2 LEU A 60 -7.471 4.120 9.987 1.00 0.00 C ATOM 0 H LEU A 60 -4.976 4.856 12.966 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.400 3.496 12.730 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -4.647 2.977 11.560 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -6.087 2.121 11.047 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.826 5.131 10.891 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -5.311 4.818 8.503 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.055 4.111 9.548 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -5.248 3.057 8.753 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -7.657 4.908 9.257 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -7.686 3.151 9.537 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -8.115 4.269 10.854 1.00 0.00 H new ATOM 898 N ASP A 61 -7.078 1.026 13.388 1.00 0.00 N ATOM 899 CA ASP A 61 -7.053 -0.248 14.097 1.00 0.00 C ATOM 900 C ASP A 61 -7.027 -1.416 13.116 1.00 0.00 C ATOM 901 O ASP A 61 -7.540 -1.315 12.003 1.00 0.00 O ATOM 902 CB ASP A 61 -8.268 -0.367 15.019 1.00 0.00 C ATOM 903 CG ASP A 61 -8.107 0.436 16.295 1.00 0.00 C ATOM 904 OD1 ASP A 61 -8.276 1.673 16.243 1.00 0.00 O ATOM 905 OD2 ASP A 61 -7.814 -0.172 17.345 1.00 0.00 O ATOM 0 H ASP A 61 -7.814 1.104 12.687 1.00 0.00 H new ATOM 0 HA ASP A 61 -6.145 -0.283 14.699 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -9.158 -0.027 14.489 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -8.428 -1.415 15.271 1.00 0.00 H new ATOM 910 N GLU A 62 -6.425 -2.524 13.538 1.00 0.00 N ATOM 911 CA GLU A 62 -6.331 -3.710 12.695 1.00 0.00 C ATOM 912 C GLU A 62 -7.709 -4.322 12.462 1.00 0.00 C ATOM 913 O GLU A 62 -8.011 -4.794 11.366 1.00 0.00 O ATOM 914 CB GLU A 62 -5.402 -4.745 13.335 1.00 0.00 C ATOM 915 CG GLU A 62 -5.841 -5.181 14.722 1.00 0.00 C ATOM 916 CD GLU A 62 -4.705 -5.771 15.535 1.00 0.00 C ATOM 917 OE1 GLU A 62 -3.892 -6.523 14.957 1.00 0.00 O ATOM 918 OE2 GLU A 62 -4.629 -5.482 16.747 1.00 0.00 O ATOM 0 H GLU A 62 -5.996 -2.625 14.458 1.00 0.00 H new ATOM 0 HA GLU A 62 -5.919 -3.409 11.732 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -5.347 -5.621 12.688 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -4.396 -4.330 13.395 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -6.257 -4.325 15.253 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -6.639 -5.918 14.632 1.00 0.00 H new ATOM 925 N GLN A 63 -8.539 -4.310 13.500 1.00 0.00 N ATOM 926 CA GLN A 63 -9.884 -4.865 13.408 1.00 0.00 C ATOM 927 C GLN A 63 -10.663 -4.219 12.267 1.00 0.00 C ATOM 928 O GLN A 63 -11.581 -4.820 11.711 1.00 0.00 O ATOM 929 CB GLN A 63 -10.631 -4.667 14.728 1.00 0.00 C ATOM 930 CG GLN A 63 -10.854 -3.207 15.088 1.00 0.00 C ATOM 931 CD GLN A 63 -11.986 -3.016 16.078 1.00 0.00 C ATOM 932 OE1 GLN A 63 -11.810 -3.201 17.283 1.00 0.00 O ATOM 933 NE2 GLN A 63 -13.157 -2.644 15.575 1.00 0.00 N ATOM 0 H GLN A 63 -8.304 -3.922 14.414 1.00 0.00 H new ATOM 0 HA GLN A 63 -9.796 -5.932 13.205 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -11.596 -5.169 14.668 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -10.070 -5.148 15.529 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -9.936 -2.796 15.508 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -11.070 -2.642 14.181 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -13.258 -2.502 14.570 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -13.955 -2.500 16.194 1.00 0.00 H new ATOM 942 N ASN A 64 -10.290 -2.990 11.924 1.00 0.00 N ATOM 943 CA ASN A 64 -10.955 -2.262 10.850 1.00 0.00 C ATOM 944 C ASN A 64 -10.279 -2.534 9.509 1.00 0.00 C ATOM 945 O ASN A 64 -9.121 -2.174 9.301 1.00 0.00 O ATOM 946 CB ASN A 64 -10.947 -0.760 11.142 1.00 0.00 C ATOM 947 CG ASN A 64 -11.436 -0.441 12.542 1.00 0.00 C ATOM 948 OD1 ASN A 64 -12.295 -1.136 13.084 1.00 0.00 O ATOM 949 ND2 ASN A 64 -10.890 0.615 13.133 1.00 0.00 N ATOM 0 H ASN A 64 -9.531 -2.478 12.374 1.00 0.00 H new ATOM 0 HA ASN A 64 -11.987 -2.609 10.794 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -9.936 -0.374 11.016 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -11.577 -0.248 10.415 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -11.180 0.879 14.075 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -10.181 1.162 12.645 1.00 0.00 H new ATOM 956 N VAL A 65 -11.013 -3.172 8.602 1.00 0.00 N ATOM 957 CA VAL A 65 -10.486 -3.491 7.280 1.00 0.00 C ATOM 958 C VAL A 65 -11.015 -2.522 6.229 1.00 0.00 C ATOM 959 O VAL A 65 -10.262 -1.726 5.670 1.00 0.00 O ATOM 960 CB VAL A 65 -10.846 -4.929 6.865 1.00 0.00 C ATOM 961 CG1 VAL A 65 -10.372 -5.211 5.447 1.00 0.00 C ATOM 962 CG2 VAL A 65 -10.252 -5.931 7.843 1.00 0.00 C ATOM 0 H VAL A 65 -11.973 -3.478 8.758 1.00 0.00 H new ATOM 0 HA VAL A 65 -9.402 -3.399 7.341 1.00 0.00 H new ATOM 0 HB VAL A 65 -11.931 -5.033 6.887 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -10.635 -6.232 5.172 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -10.850 -4.515 4.758 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -9.290 -5.089 5.394 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -10.517 -6.942 7.534 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -9.167 -5.828 7.856 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -10.646 -5.742 8.842 1.00 0.00 H new ATOM 972 N GLU A 66 -12.316 -2.596 5.966 1.00 0.00 N ATOM 973 CA GLU A 66 -12.946 -1.725 4.981 1.00 0.00 C ATOM 974 C GLU A 66 -12.539 -0.271 5.200 1.00 0.00 C ATOM 975 O GLU A 66 -12.373 0.491 4.247 1.00 0.00 O ATOM 976 CB GLU A 66 -14.469 -1.855 5.051 1.00 0.00 C ATOM 977 CG GLU A 66 -15.206 -0.877 4.152 1.00 0.00 C ATOM 978 CD GLU A 66 -16.593 -0.543 4.667 1.00 0.00 C ATOM 979 OE1 GLU A 66 -17.381 -1.482 4.904 1.00 0.00 O ATOM 980 OE2 GLU A 66 -16.889 0.659 4.833 1.00 0.00 O ATOM 0 H GLU A 66 -12.954 -3.249 6.421 1.00 0.00 H new ATOM 0 HA GLU A 66 -12.607 -2.034 3.992 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -14.751 -2.871 4.776 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -14.791 -1.702 6.081 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -14.624 0.041 4.065 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -15.286 -1.299 3.150 1.00 0.00 H new ATOM 987 N LYS A 67 -12.379 0.108 6.464 1.00 0.00 N ATOM 988 CA LYS A 67 -11.990 1.470 6.811 1.00 0.00 C ATOM 989 C LYS A 67 -10.580 1.776 6.316 1.00 0.00 C ATOM 990 O LYS A 67 -10.398 2.538 5.367 1.00 0.00 O ATOM 991 CB LYS A 67 -12.064 1.672 8.327 1.00 0.00 C ATOM 992 CG LYS A 67 -11.575 3.036 8.783 1.00 0.00 C ATOM 993 CD LYS A 67 -12.675 4.081 8.697 1.00 0.00 C ATOM 994 CE LYS A 67 -12.244 5.396 9.326 1.00 0.00 C ATOM 995 NZ LYS A 67 -13.125 6.524 8.913 1.00 0.00 N ATOM 0 H LYS A 67 -12.513 -0.509 7.265 1.00 0.00 H new ATOM 0 HA LYS A 67 -12.684 2.155 6.324 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -13.095 1.537 8.653 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -11.471 0.900 8.817 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -11.215 2.970 9.810 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -10.730 3.345 8.168 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -12.941 4.246 7.653 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -13.569 3.712 9.199 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -12.260 5.302 10.412 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -11.215 5.615 9.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -12.798 7.403 9.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -13.090 6.631 7.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -14.103 6.327 9.208 1.00 0.00 H new ATOM 1009 N ASN A 68 -9.587 1.177 6.963 1.00 0.00 N ATOM 1010 CA ASN A 68 -8.193 1.386 6.587 1.00 0.00 C ATOM 1011 C ASN A 68 -8.055 1.543 5.076 1.00 0.00 C ATOM 1012 O ASN A 68 -7.258 2.347 4.595 1.00 0.00 O ATOM 1013 CB ASN A 68 -7.332 0.217 7.070 1.00 0.00 C ATOM 1014 CG ASN A 68 -6.821 0.421 8.483 1.00 0.00 C ATOM 1015 OD1 ASN A 68 -5.696 0.876 8.689 1.00 0.00 O ATOM 1016 ND2 ASN A 68 -7.648 0.083 9.466 1.00 0.00 N ATOM 0 H ASN A 68 -9.721 0.543 7.750 1.00 0.00 H new ATOM 0 HA ASN A 68 -7.848 2.304 7.063 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -7.915 -0.703 7.027 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -6.486 0.090 6.395 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -7.359 0.197 10.438 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -8.572 -0.291 9.249 1.00 0.00 H new ATOM 1023 N ASN A 69 -8.839 0.769 4.332 1.00 0.00 N ATOM 1024 CA ASN A 69 -8.805 0.822 2.875 1.00 0.00 C ATOM 1025 C ASN A 69 -9.509 2.074 2.360 1.00 0.00 C ATOM 1026 O ASN A 69 -8.893 2.925 1.719 1.00 0.00 O ATOM 1027 CB ASN A 69 -9.462 -0.426 2.283 1.00 0.00 C ATOM 1028 CG ASN A 69 -8.696 -1.693 2.611 1.00 0.00 C ATOM 1029 OD1 ASN A 69 -7.511 -1.814 2.300 1.00 0.00 O ATOM 1030 ND2 ASN A 69 -9.371 -2.646 3.244 1.00 0.00 N ATOM 0 H ASN A 69 -9.505 0.098 4.714 1.00 0.00 H new ATOM 0 HA ASN A 69 -7.762 0.858 2.562 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -10.480 -0.512 2.662 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -9.533 -0.317 1.201 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -8.908 -3.520 3.491 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -10.352 -2.503 3.483 1.00 0.00 H new ATOM 1037 N GLN A 70 -10.803 2.178 2.645 1.00 0.00 N ATOM 1038 CA GLN A 70 -11.591 3.326 2.210 1.00 0.00 C ATOM 1039 C GLN A 70 -10.842 4.629 2.468 1.00 0.00 C ATOM 1040 O GLN A 70 -10.724 5.475 1.581 1.00 0.00 O ATOM 1041 CB GLN A 70 -12.940 3.347 2.931 1.00 0.00 C ATOM 1042 CG GLN A 70 -13.976 4.232 2.257 1.00 0.00 C ATOM 1043 CD GLN A 70 -13.365 5.463 1.617 1.00 0.00 C ATOM 1044 OE1 GLN A 70 -12.981 6.409 2.305 1.00 0.00 O ATOM 1045 NE2 GLN A 70 -13.270 5.457 0.292 1.00 0.00 N ATOM 0 H GLN A 70 -11.328 1.482 3.175 1.00 0.00 H new ATOM 0 HA GLN A 70 -11.762 3.233 1.137 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -13.327 2.330 2.990 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -12.790 3.691 3.954 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -14.502 3.655 1.496 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -14.719 4.540 2.993 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -13.601 4.652 -0.239 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -12.866 6.258 -0.194 1.00 0.00 H new ATOM 1054 N LEU A 71 -10.338 4.785 3.687 1.00 0.00 N ATOM 1055 CA LEU A 71 -9.601 5.986 4.063 1.00 0.00 C ATOM 1056 C LEU A 71 -8.482 6.272 3.066 1.00 0.00 C ATOM 1057 O LEU A 71 -8.525 7.261 2.336 1.00 0.00 O ATOM 1058 CB LEU A 71 -9.019 5.833 5.469 1.00 0.00 C ATOM 1059 CG LEU A 71 -8.346 7.074 6.056 1.00 0.00 C ATOM 1060 CD1 LEU A 71 -9.313 8.247 6.077 1.00 0.00 C ATOM 1061 CD2 LEU A 71 -7.823 6.786 7.456 1.00 0.00 C ATOM 0 H LEU A 71 -10.426 4.094 4.432 1.00 0.00 H new ATOM 0 HA LEU A 71 -10.296 6.826 4.054 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -9.821 5.527 6.141 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -8.290 5.023 5.453 1.00 0.00 H new ATOM 0 HG LEU A 71 -7.500 7.339 5.421 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.816 9.121 6.498 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -9.638 8.469 5.060 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -10.180 7.993 6.688 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -7.347 7.681 7.858 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -8.652 6.495 8.101 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -7.095 5.976 7.413 1.00 0.00 H new ATOM 1073 N ALA A 72 -7.482 5.396 3.040 1.00 0.00 N ATOM 1074 CA ALA A 72 -6.354 5.552 2.130 1.00 0.00 C ATOM 1075 C ALA A 72 -6.820 5.998 0.749 1.00 0.00 C ATOM 1076 O ALA A 72 -6.356 7.009 0.222 1.00 0.00 O ATOM 1077 CB ALA A 72 -5.572 4.250 2.031 1.00 0.00 C ATOM 0 H ALA A 72 -7.431 4.572 3.638 1.00 0.00 H new ATOM 0 HA ALA A 72 -5.700 6.326 2.531 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -4.733 4.381 1.348 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -5.198 3.974 3.017 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -6.225 3.461 1.657 1.00 0.00 H new ATOM 1083 N PHE A 73 -7.741 5.236 0.166 1.00 0.00 N ATOM 1084 CA PHE A 73 -8.269 5.552 -1.156 1.00 0.00 C ATOM 1085 C PHE A 73 -8.665 7.023 -1.246 1.00 0.00 C ATOM 1086 O PHE A 73 -8.551 7.643 -2.304 1.00 0.00 O ATOM 1087 CB PHE A 73 -9.477 4.667 -1.470 1.00 0.00 C ATOM 1088 CG PHE A 73 -9.130 3.215 -1.637 1.00 0.00 C ATOM 1089 CD1 PHE A 73 -8.041 2.833 -2.404 1.00 0.00 C ATOM 1090 CD2 PHE A 73 -9.892 2.233 -1.025 1.00 0.00 C ATOM 1091 CE1 PHE A 73 -7.720 1.498 -2.559 1.00 0.00 C ATOM 1092 CE2 PHE A 73 -9.575 0.896 -1.177 1.00 0.00 C ATOM 1093 CZ PHE A 73 -8.487 0.528 -1.943 1.00 0.00 C ATOM 0 H PHE A 73 -8.136 4.396 0.588 1.00 0.00 H new ATOM 0 HA PHE A 73 -7.485 5.359 -1.889 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -10.209 4.767 -0.668 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -9.953 5.026 -2.383 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -7.436 3.587 -2.886 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -10.743 2.515 -0.423 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -6.870 1.213 -3.161 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -10.178 0.140 -0.697 1.00 0.00 H new ATOM 0 HZ PHE A 73 -8.236 -0.516 -2.060 1.00 0.00 H new ATOM 1103 N ASP A 74 -9.130 7.574 -0.131 1.00 0.00 N ATOM 1104 CA ASP A 74 -9.542 8.972 -0.083 1.00 0.00 C ATOM 1105 C ASP A 74 -8.352 9.880 0.214 1.00 0.00 C ATOM 1106 O ASP A 74 -8.015 10.757 -0.581 1.00 0.00 O ATOM 1107 CB ASP A 74 -10.627 9.170 0.977 1.00 0.00 C ATOM 1108 CG ASP A 74 -11.527 10.351 0.671 1.00 0.00 C ATOM 1109 OD1 ASP A 74 -11.146 11.182 -0.180 1.00 0.00 O ATOM 1110 OD2 ASP A 74 -12.612 10.443 1.281 1.00 0.00 O ATOM 0 H ASP A 74 -9.231 7.074 0.752 1.00 0.00 H new ATOM 0 HA ASP A 74 -9.945 9.240 -1.060 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -11.231 8.265 1.048 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -10.158 9.317 1.950 1.00 0.00 H new ATOM 1115 N ILE A 75 -7.721 9.662 1.363 1.00 0.00 N ATOM 1116 CA ILE A 75 -6.569 10.461 1.764 1.00 0.00 C ATOM 1117 C ILE A 75 -5.564 10.587 0.624 1.00 0.00 C ATOM 1118 O ILE A 75 -5.161 11.691 0.258 1.00 0.00 O ATOM 1119 CB ILE A 75 -5.863 9.853 2.991 1.00 0.00 C ATOM 1120 CG1 ILE A 75 -6.850 9.698 4.149 1.00 0.00 C ATOM 1121 CG2 ILE A 75 -4.683 10.720 3.406 1.00 0.00 C ATOM 1122 CD1 ILE A 75 -7.638 10.955 4.445 1.00 0.00 C ATOM 0 H ILE A 75 -7.988 8.940 2.032 1.00 0.00 H new ATOM 0 HA ILE A 75 -6.945 11.450 2.024 1.00 0.00 H new ATOM 0 HB ILE A 75 -5.487 8.865 2.724 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -7.544 8.890 3.918 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -6.303 9.403 5.044 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -4.194 10.278 4.274 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -3.972 10.785 2.583 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -5.037 11.719 3.659 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -8.317 10.771 5.277 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -6.953 11.761 4.707 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -8.213 11.240 3.564 1.00 0.00 H new ATOM 1134 N ALA A 76 -5.165 9.449 0.066 1.00 0.00 N ATOM 1135 CA ALA A 76 -4.210 9.433 -1.036 1.00 0.00 C ATOM 1136 C ALA A 76 -4.532 10.517 -2.058 1.00 0.00 C ATOM 1137 O ALA A 76 -3.829 11.523 -2.151 1.00 0.00 O ATOM 1138 CB ALA A 76 -4.196 8.065 -1.701 1.00 0.00 C ATOM 0 H ALA A 76 -5.488 8.527 0.358 1.00 0.00 H new ATOM 0 HA ALA A 76 -3.220 9.638 -0.629 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -3.479 8.067 -2.522 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -3.910 7.308 -0.971 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -5.190 7.838 -2.088 1.00 0.00 H new ATOM 1144 N GLU A 77 -5.599 10.306 -2.822 1.00 0.00 N ATOM 1145 CA GLU A 77 -6.012 11.266 -3.839 1.00 0.00 C ATOM 1146 C GLU A 77 -6.165 12.661 -3.239 1.00 0.00 C ATOM 1147 O GLU A 77 -5.704 13.649 -3.811 1.00 0.00 O ATOM 1148 CB GLU A 77 -7.330 10.827 -4.481 1.00 0.00 C ATOM 1149 CG GLU A 77 -7.521 11.348 -5.896 1.00 0.00 C ATOM 1150 CD GLU A 77 -8.222 12.692 -5.933 1.00 0.00 C ATOM 1151 OE1 GLU A 77 -9.434 12.736 -5.634 1.00 0.00 O ATOM 1152 OE2 GLU A 77 -7.560 13.698 -6.262 1.00 0.00 O ATOM 0 H GLU A 77 -6.193 9.479 -2.756 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.238 11.302 -4.605 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -7.373 9.738 -4.495 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -8.158 11.170 -3.861 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -6.549 11.436 -6.381 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -8.100 10.625 -6.471 1.00 0.00 H new ATOM 1159 N LYS A 78 -6.817 12.733 -2.084 1.00 0.00 N ATOM 1160 CA LYS A 78 -7.032 14.006 -1.405 1.00 0.00 C ATOM 1161 C LYS A 78 -5.758 14.844 -1.404 1.00 0.00 C ATOM 1162 O LYS A 78 -5.746 15.971 -1.896 1.00 0.00 O ATOM 1163 CB LYS A 78 -7.500 13.767 0.033 1.00 0.00 C ATOM 1164 CG LYS A 78 -9.003 13.598 0.164 1.00 0.00 C ATOM 1165 CD LYS A 78 -9.712 14.940 0.225 1.00 0.00 C ATOM 1166 CE LYS A 78 -11.223 14.777 0.145 1.00 0.00 C ATOM 1167 NZ LYS A 78 -11.671 14.438 -1.234 1.00 0.00 N ATOM 0 H LYS A 78 -7.206 11.925 -1.598 1.00 0.00 H new ATOM 0 HA LYS A 78 -7.804 14.553 -1.946 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -7.008 12.876 0.423 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -7.182 14.605 0.654 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -9.381 13.024 -0.682 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -9.229 13.025 1.063 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -9.449 15.450 1.152 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -9.369 15.571 -0.595 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -11.541 13.994 0.833 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -11.706 15.700 0.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -12.710 14.452 -1.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -11.289 15.135 -1.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -11.327 13.490 -1.487 1.00 0.00 H new ATOM 1181 N GLU A 79 -4.687 14.284 -0.849 1.00 0.00 N ATOM 1182 CA GLU A 79 -3.408 14.982 -0.785 1.00 0.00 C ATOM 1183 C GLU A 79 -2.481 14.521 -1.907 1.00 0.00 C ATOM 1184 O GLU A 79 -2.110 15.305 -2.781 1.00 0.00 O ATOM 1185 CB GLU A 79 -2.741 14.747 0.572 1.00 0.00 C ATOM 1186 CG GLU A 79 -3.560 15.250 1.748 1.00 0.00 C ATOM 1187 CD GLU A 79 -3.248 16.690 2.104 1.00 0.00 C ATOM 1188 OE1 GLU A 79 -3.802 17.597 1.449 1.00 0.00 O ATOM 1189 OE2 GLU A 79 -2.449 16.910 3.038 1.00 0.00 O ATOM 0 H GLU A 79 -4.680 13.351 -0.438 1.00 0.00 H new ATOM 0 HA GLU A 79 -3.598 16.048 -0.908 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -2.558 13.680 0.697 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -1.769 15.240 0.580 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -4.620 15.160 1.512 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -3.371 14.617 2.615 1.00 0.00 H new ATOM 1196 N LEU A 80 -2.111 13.246 -1.874 1.00 0.00 N ATOM 1197 CA LEU A 80 -1.227 12.680 -2.887 1.00 0.00 C ATOM 1198 C LEU A 80 -1.754 12.963 -4.290 1.00 0.00 C ATOM 1199 O LEU A 80 -1.041 13.502 -5.135 1.00 0.00 O ATOM 1200 CB LEU A 80 -1.082 11.171 -2.679 1.00 0.00 C ATOM 1201 CG LEU A 80 -0.844 10.711 -1.241 1.00 0.00 C ATOM 1202 CD1 LEU A 80 -0.655 9.203 -1.187 1.00 0.00 C ATOM 1203 CD2 LEU A 80 0.361 11.424 -0.645 1.00 0.00 C ATOM 0 H LEU A 80 -2.409 12.584 -1.157 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.249 13.151 -2.785 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -1.984 10.685 -3.050 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -0.254 10.818 -3.294 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.722 10.967 -0.648 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.487 8.894 -0.155 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.548 8.710 -1.572 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.205 8.922 -1.795 1.00 0.00 H new ATOM 0 HD21 LEU A 80 0.515 11.084 0.379 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.247 11.200 -1.239 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.185 12.500 -0.647 1.00 0.00 H new ATOM 1215 N GLY A 81 -3.010 12.598 -4.530 1.00 0.00 N ATOM 1216 CA GLY A 81 -3.612 12.823 -5.831 1.00 0.00 C ATOM 1217 C GLY A 81 -3.834 11.535 -6.598 1.00 0.00 C ATOM 1218 O GLY A 81 -4.487 11.531 -7.642 1.00 0.00 O ATOM 0 H GLY A 81 -3.621 12.151 -3.847 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -4.566 13.335 -5.703 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -2.971 13.484 -6.415 1.00 0.00 H new ATOM 1222 N ILE A 82 -3.289 10.439 -6.081 1.00 0.00 N ATOM 1223 CA ILE A 82 -3.431 9.139 -6.724 1.00 0.00 C ATOM 1224 C ILE A 82 -4.861 8.623 -6.614 1.00 0.00 C ATOM 1225 O ILE A 82 -5.324 8.276 -5.527 1.00 0.00 O ATOM 1226 CB ILE A 82 -2.473 8.100 -6.111 1.00 0.00 C ATOM 1227 CG1 ILE A 82 -1.019 8.501 -6.365 1.00 0.00 C ATOM 1228 CG2 ILE A 82 -2.755 6.718 -6.683 1.00 0.00 C ATOM 1229 CD1 ILE A 82 -0.018 7.651 -5.615 1.00 0.00 C ATOM 0 H ILE A 82 -2.745 10.426 -5.218 1.00 0.00 H new ATOM 0 HA ILE A 82 -3.179 9.278 -7.775 1.00 0.00 H new ATOM 0 HB ILE A 82 -2.637 8.067 -5.034 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -0.813 8.433 -7.433 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -0.883 9.544 -6.080 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -2.070 5.994 -6.241 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -3.782 6.432 -6.455 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -2.615 6.736 -7.764 1.00 0.00 H new ATOM 0 HD11 ILE A 82 0.992 7.992 -5.843 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -0.197 7.738 -4.543 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -0.126 6.609 -5.918 1.00 0.00 H new ATOM 1241 N SER A 83 -5.557 8.575 -7.745 1.00 0.00 N ATOM 1242 CA SER A 83 -6.936 8.104 -7.776 1.00 0.00 C ATOM 1243 C SER A 83 -7.009 6.616 -7.445 1.00 0.00 C ATOM 1244 O SER A 83 -6.269 5.796 -7.989 1.00 0.00 O ATOM 1245 CB SER A 83 -7.556 8.364 -9.150 1.00 0.00 C ATOM 1246 OG SER A 83 -8.598 7.443 -9.422 1.00 0.00 O ATOM 0 H SER A 83 -5.188 8.857 -8.653 1.00 0.00 H new ATOM 0 HA SER A 83 -7.499 8.654 -7.022 1.00 0.00 H new ATOM 0 HB2 SER A 83 -7.946 9.381 -9.190 1.00 0.00 H new ATOM 0 HB3 SER A 83 -6.788 8.287 -9.920 1.00 0.00 H new ATOM 0 HG SER A 83 -8.979 7.631 -10.305 1.00 0.00 H new ATOM 1252 N PRO A 84 -7.924 6.258 -6.532 1.00 0.00 N ATOM 1253 CA PRO A 84 -8.117 4.868 -6.108 1.00 0.00 C ATOM 1254 C PRO A 84 -8.733 4.008 -7.205 1.00 0.00 C ATOM 1255 O PRO A 84 -9.389 4.519 -8.113 1.00 0.00 O ATOM 1256 CB PRO A 84 -9.076 4.989 -4.921 1.00 0.00 C ATOM 1257 CG PRO A 84 -9.812 6.263 -5.158 1.00 0.00 C ATOM 1258 CD PRO A 84 -8.840 7.182 -5.843 1.00 0.00 C ATOM 0 HA PRO A 84 -7.173 4.382 -5.863 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -9.758 4.140 -4.875 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -8.535 5.014 -3.975 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -10.693 6.095 -5.777 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -10.160 6.693 -4.219 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -9.343 7.847 -6.545 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -8.312 7.813 -5.128 1.00 0.00 H new ATOM 1266 N ILE A 85 -8.519 2.699 -7.115 1.00 0.00 N ATOM 1267 CA ILE A 85 -9.055 1.768 -8.101 1.00 0.00 C ATOM 1268 C ILE A 85 -10.333 1.108 -7.594 1.00 0.00 C ATOM 1269 O ILE A 85 -11.235 0.801 -8.372 1.00 0.00 O ATOM 1270 CB ILE A 85 -8.031 0.674 -8.457 1.00 0.00 C ATOM 1271 CG1 ILE A 85 -7.877 -0.309 -7.295 1.00 0.00 C ATOM 1272 CG2 ILE A 85 -6.690 1.299 -8.811 1.00 0.00 C ATOM 1273 CD1 ILE A 85 -6.935 -1.454 -7.593 1.00 0.00 C ATOM 0 H ILE A 85 -7.979 2.260 -6.370 1.00 0.00 H new ATOM 0 HA ILE A 85 -9.279 2.349 -8.996 1.00 0.00 H new ATOM 0 HB ILE A 85 -8.395 0.125 -9.326 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -7.515 0.230 -6.419 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -8.857 -0.712 -7.039 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -5.977 0.513 -9.060 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -6.813 1.963 -9.667 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -6.318 1.870 -7.960 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -6.874 -2.111 -6.725 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -7.306 -2.017 -8.449 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -5.944 -1.060 -7.820 1.00 0.00 H new ATOM 1285 N MET A 86 -10.402 0.894 -6.284 1.00 0.00 N ATOM 1286 CA MET A 86 -11.571 0.272 -5.673 1.00 0.00 C ATOM 1287 C MET A 86 -12.001 1.034 -4.423 1.00 0.00 C ATOM 1288 O MET A 86 -11.321 1.962 -3.985 1.00 0.00 O ATOM 1289 CB MET A 86 -11.274 -1.186 -5.319 1.00 0.00 C ATOM 1290 CG MET A 86 -10.374 -1.345 -4.104 1.00 0.00 C ATOM 1291 SD MET A 86 -8.622 -1.277 -4.523 1.00 0.00 S ATOM 1292 CE MET A 86 -8.276 -3.010 -4.813 1.00 0.00 C ATOM 0 H MET A 86 -9.663 1.142 -5.626 1.00 0.00 H new ATOM 0 HA MET A 86 -12.387 0.303 -6.395 1.00 0.00 H new ATOM 0 HB2 MET A 86 -12.214 -1.705 -5.135 1.00 0.00 H new ATOM 0 HB3 MET A 86 -10.804 -1.671 -6.175 1.00 0.00 H new ATOM 0 HG2 MET A 86 -10.602 -0.560 -3.383 1.00 0.00 H new ATOM 0 HG3 MET A 86 -10.591 -2.296 -3.618 1.00 0.00 H new ATOM 0 HE1 MET A 86 -7.203 -3.150 -4.943 1.00 0.00 H new ATOM 0 HE2 MET A 86 -8.618 -3.597 -3.961 1.00 0.00 H new ATOM 0 HE3 MET A 86 -8.796 -3.339 -5.712 1.00 0.00 H new ATOM 1302 N THR A 87 -13.134 0.636 -3.853 1.00 0.00 N ATOM 1303 CA THR A 87 -13.655 1.282 -2.655 1.00 0.00 C ATOM 1304 C THR A 87 -13.604 0.340 -1.457 1.00 0.00 C ATOM 1305 O THR A 87 -13.795 -0.867 -1.595 1.00 0.00 O ATOM 1306 CB THR A 87 -15.106 1.757 -2.859 1.00 0.00 C ATOM 1307 OG1 THR A 87 -15.816 0.826 -3.683 1.00 0.00 O ATOM 1308 CG2 THR A 87 -15.138 3.136 -3.499 1.00 0.00 C ATOM 0 H THR A 87 -13.709 -0.131 -4.202 1.00 0.00 H new ATOM 0 HA THR A 87 -13.021 2.147 -2.461 1.00 0.00 H new ATOM 0 HB THR A 87 -15.586 1.816 -1.882 1.00 0.00 H new ATOM 0 HG1 THR A 87 -16.738 1.135 -3.806 1.00 0.00 H new ATOM 0 HG21 THR A 87 -16.173 3.451 -3.633 1.00 0.00 H new ATOM 0 HG22 THR A 87 -14.623 3.848 -2.855 1.00 0.00 H new ATOM 0 HG23 THR A 87 -14.641 3.099 -4.469 1.00 0.00 H new ATOM 1316 N GLY A 88 -13.346 0.902 -0.279 1.00 0.00 N ATOM 1317 CA GLY A 88 -13.275 0.098 0.926 1.00 0.00 C ATOM 1318 C GLY A 88 -14.274 -1.043 0.922 1.00 0.00 C ATOM 1319 O GLY A 88 -13.936 -2.176 1.266 1.00 0.00 O ATOM 0 H GLY A 88 -13.185 1.899 -0.139 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -12.268 -0.305 1.031 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -13.456 0.732 1.794 1.00 0.00 H new ATOM 1323 N LYS A 89 -15.508 -0.745 0.532 1.00 0.00 N ATOM 1324 CA LYS A 89 -16.561 -1.753 0.484 1.00 0.00 C ATOM 1325 C LYS A 89 -16.222 -2.845 -0.525 1.00 0.00 C ATOM 1326 O LYS A 89 -16.403 -4.031 -0.252 1.00 0.00 O ATOM 1327 CB LYS A 89 -17.899 -1.105 0.122 1.00 0.00 C ATOM 1328 CG LYS A 89 -19.102 -1.833 0.696 1.00 0.00 C ATOM 1329 CD LYS A 89 -19.470 -1.302 2.071 1.00 0.00 C ATOM 1330 CE LYS A 89 -20.235 -2.338 2.882 1.00 0.00 C ATOM 1331 NZ LYS A 89 -19.339 -3.406 3.404 1.00 0.00 N ATOM 0 H LYS A 89 -15.804 0.188 0.244 1.00 0.00 H new ATOM 0 HA LYS A 89 -16.641 -2.208 1.471 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -17.903 -0.075 0.480 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -17.992 -1.066 -0.963 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -19.952 -1.721 0.022 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -18.886 -2.899 0.762 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -18.565 -1.016 2.606 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -20.076 -0.402 1.965 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -20.739 -1.847 3.715 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -21.010 -2.786 2.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -19.874 -4.024 4.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -18.970 -3.968 2.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -18.547 -2.973 3.920 1.00 0.00 H new ATOM 1345 N GLU A 90 -15.729 -2.436 -1.689 1.00 0.00 N ATOM 1346 CA GLU A 90 -15.364 -3.382 -2.738 1.00 0.00 C ATOM 1347 C GLU A 90 -14.134 -4.191 -2.338 1.00 0.00 C ATOM 1348 O GLU A 90 -13.839 -5.227 -2.933 1.00 0.00 O ATOM 1349 CB GLU A 90 -15.098 -2.644 -4.051 1.00 0.00 C ATOM 1350 CG GLU A 90 -16.362 -2.200 -4.768 1.00 0.00 C ATOM 1351 CD GLU A 90 -16.955 -3.293 -5.636 1.00 0.00 C ATOM 1352 OE1 GLU A 90 -16.189 -4.164 -6.097 1.00 0.00 O ATOM 1353 OE2 GLU A 90 -18.185 -3.276 -5.854 1.00 0.00 O ATOM 0 H GLU A 90 -15.573 -1.457 -1.930 1.00 0.00 H new ATOM 0 HA GLU A 90 -16.199 -4.069 -2.878 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -14.480 -1.770 -3.847 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -14.524 -3.293 -4.713 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -17.101 -1.885 -4.032 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -16.138 -1.331 -5.387 1.00 0.00 H new ATOM 1360 N MET A 91 -13.420 -3.709 -1.326 1.00 0.00 N ATOM 1361 CA MET A 91 -12.221 -4.387 -0.846 1.00 0.00 C ATOM 1362 C MET A 91 -12.559 -5.350 0.288 1.00 0.00 C ATOM 1363 O MET A 91 -11.852 -6.331 0.513 1.00 0.00 O ATOM 1364 CB MET A 91 -11.187 -3.365 -0.371 1.00 0.00 C ATOM 1365 CG MET A 91 -9.752 -3.852 -0.492 1.00 0.00 C ATOM 1366 SD MET A 91 -8.550 -2.516 -0.344 1.00 0.00 S ATOM 1367 CE MET A 91 -7.023 -3.445 -0.224 1.00 0.00 C ATOM 0 H MET A 91 -13.650 -2.852 -0.823 1.00 0.00 H new ATOM 0 HA MET A 91 -11.802 -4.960 -1.673 1.00 0.00 H new ATOM 0 HB2 MET A 91 -11.301 -2.449 -0.950 1.00 0.00 H new ATOM 0 HB3 MET A 91 -11.390 -3.112 0.670 1.00 0.00 H new ATOM 0 HG2 MET A 91 -9.559 -4.596 0.280 1.00 0.00 H new ATOM 0 HG3 MET A 91 -9.621 -4.349 -1.453 1.00 0.00 H new ATOM 0 HE1 MET A 91 -6.196 -2.833 -0.583 1.00 0.00 H new ATOM 0 HE2 MET A 91 -6.846 -3.721 0.815 1.00 0.00 H new ATOM 0 HE3 MET A 91 -7.097 -4.347 -0.832 1.00 0.00 H new ATOM 1377 N ALA A 92 -13.644 -5.061 1.000 1.00 0.00 N ATOM 1378 CA ALA A 92 -14.075 -5.902 2.110 1.00 0.00 C ATOM 1379 C ALA A 92 -14.967 -7.039 1.622 1.00 0.00 C ATOM 1380 O ALA A 92 -15.032 -8.100 2.243 1.00 0.00 O ATOM 1381 CB ALA A 92 -14.804 -5.068 3.152 1.00 0.00 C ATOM 0 H ALA A 92 -14.240 -4.251 0.828 1.00 0.00 H new ATOM 0 HA ALA A 92 -13.188 -6.340 2.567 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -15.120 -5.709 3.975 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -14.136 -4.294 3.531 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -15.679 -4.602 2.698 1.00 0.00 H new ATOM 1387 N SER A 93 -15.653 -6.810 0.507 1.00 0.00 N ATOM 1388 CA SER A 93 -16.545 -7.814 -0.062 1.00 0.00 C ATOM 1389 C SER A 93 -15.779 -8.765 -0.977 1.00 0.00 C ATOM 1390 O SER A 93 -15.872 -9.985 -0.841 1.00 0.00 O ATOM 1391 CB SER A 93 -17.676 -7.140 -0.841 1.00 0.00 C ATOM 1392 OG SER A 93 -18.562 -6.461 0.033 1.00 0.00 O ATOM 0 H SER A 93 -15.608 -5.938 -0.020 1.00 0.00 H new ATOM 0 HA SER A 93 -16.972 -8.391 0.758 1.00 0.00 H new ATOM 0 HB2 SER A 93 -17.258 -6.435 -1.560 1.00 0.00 H new ATOM 0 HB3 SER A 93 -18.225 -7.889 -1.412 1.00 0.00 H new ATOM 0 HG SER A 93 -19.275 -6.037 -0.489 1.00 0.00 H new ATOM 1398 N VAL A 94 -15.022 -8.197 -1.910 1.00 0.00 N ATOM 1399 CA VAL A 94 -14.239 -8.993 -2.848 1.00 0.00 C ATOM 1400 C VAL A 94 -13.373 -10.011 -2.115 1.00 0.00 C ATOM 1401 O VAL A 94 -12.743 -9.694 -1.106 1.00 0.00 O ATOM 1402 CB VAL A 94 -13.337 -8.102 -3.723 1.00 0.00 C ATOM 1403 CG1 VAL A 94 -12.087 -7.694 -2.958 1.00 0.00 C ATOM 1404 CG2 VAL A 94 -12.971 -8.820 -5.013 1.00 0.00 C ATOM 0 H VAL A 94 -14.934 -7.189 -2.037 1.00 0.00 H new ATOM 0 HA VAL A 94 -14.948 -9.518 -3.488 1.00 0.00 H new ATOM 0 HB VAL A 94 -13.888 -7.198 -3.981 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -11.462 -7.065 -3.592 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -12.372 -7.139 -2.064 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -11.530 -8.585 -2.669 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -12.334 -8.176 -5.619 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -12.438 -9.741 -4.778 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -13.879 -9.058 -5.567 1.00 0.00 H new ATOM 1414 N GLY A 95 -13.345 -11.236 -2.630 1.00 0.00 N ATOM 1415 CA GLY A 95 -12.552 -12.283 -2.012 1.00 0.00 C ATOM 1416 C GLY A 95 -11.062 -12.025 -2.123 1.00 0.00 C ATOM 1417 O GLY A 95 -10.313 -12.263 -1.177 1.00 0.00 O ATOM 0 H GLY A 95 -13.857 -11.522 -3.464 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -12.825 -12.368 -0.960 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -12.788 -13.238 -2.481 1.00 0.00 H new ATOM 1421 N GLU A 96 -10.633 -11.537 -3.283 1.00 0.00 N ATOM 1422 CA GLU A 96 -9.223 -11.249 -3.514 1.00 0.00 C ATOM 1423 C GLU A 96 -9.050 -10.269 -4.672 1.00 0.00 C ATOM 1424 O GLU A 96 -9.710 -10.369 -5.706 1.00 0.00 O ATOM 1425 CB GLU A 96 -8.457 -12.541 -3.807 1.00 0.00 C ATOM 1426 CG GLU A 96 -6.958 -12.424 -3.582 1.00 0.00 C ATOM 1427 CD GLU A 96 -6.216 -13.701 -3.925 1.00 0.00 C ATOM 1428 OE1 GLU A 96 -6.054 -13.987 -5.131 1.00 0.00 O ATOM 1429 OE2 GLU A 96 -5.797 -14.414 -2.990 1.00 0.00 O ATOM 0 H GLU A 96 -11.241 -11.333 -4.076 1.00 0.00 H new ATOM 0 HA GLU A 96 -8.819 -10.792 -2.610 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -8.850 -13.338 -3.175 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -8.639 -12.835 -4.841 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -6.566 -11.607 -4.187 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -6.770 -12.167 -2.540 1.00 0.00 H new ATOM 1436 N PRO A 97 -8.142 -9.298 -4.494 1.00 0.00 N ATOM 1437 CA PRO A 97 -7.861 -8.281 -5.512 1.00 0.00 C ATOM 1438 C PRO A 97 -7.148 -8.861 -6.729 1.00 0.00 C ATOM 1439 O PRO A 97 -6.694 -10.005 -6.708 1.00 0.00 O ATOM 1440 CB PRO A 97 -6.951 -7.290 -4.781 1.00 0.00 C ATOM 1441 CG PRO A 97 -6.303 -8.092 -3.706 1.00 0.00 C ATOM 1442 CD PRO A 97 -7.318 -9.119 -3.286 1.00 0.00 C ATOM 0 HA PRO A 97 -8.774 -7.833 -5.904 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -6.210 -6.861 -5.456 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -7.523 -6.460 -4.366 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -5.393 -8.569 -4.070 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -6.017 -7.459 -2.866 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -6.843 -10.052 -2.981 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -7.913 -8.773 -2.441 1.00 0.00 H new ATOM 1450 N ASP A 98 -7.053 -8.064 -7.788 1.00 0.00 N ATOM 1451 CA ASP A 98 -6.393 -8.498 -9.014 1.00 0.00 C ATOM 1452 C ASP A 98 -4.928 -8.073 -9.023 1.00 0.00 C ATOM 1453 O ASP A 98 -4.614 -6.886 -8.932 1.00 0.00 O ATOM 1454 CB ASP A 98 -7.111 -7.922 -10.236 1.00 0.00 C ATOM 1455 CG ASP A 98 -6.655 -8.564 -11.531 1.00 0.00 C ATOM 1456 OD1 ASP A 98 -6.266 -9.751 -11.501 1.00 0.00 O ATOM 1457 OD2 ASP A 98 -6.688 -7.881 -12.575 1.00 0.00 O ATOM 0 H ASP A 98 -7.424 -7.115 -7.822 1.00 0.00 H new ATOM 0 HA ASP A 98 -6.437 -9.586 -9.055 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -8.186 -8.064 -10.122 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -6.934 -6.848 -10.285 1.00 0.00 H new ATOM 1462 N LYS A 99 -4.034 -9.050 -9.131 1.00 0.00 N ATOM 1463 CA LYS A 99 -2.602 -8.779 -9.152 1.00 0.00 C ATOM 1464 C LYS A 99 -2.298 -7.524 -9.963 1.00 0.00 C ATOM 1465 O LYS A 99 -1.624 -6.611 -9.484 1.00 0.00 O ATOM 1466 CB LYS A 99 -1.844 -9.973 -9.736 1.00 0.00 C ATOM 1467 CG LYS A 99 -0.345 -9.751 -9.839 1.00 0.00 C ATOM 1468 CD LYS A 99 0.309 -9.719 -8.468 1.00 0.00 C ATOM 1469 CE LYS A 99 0.752 -11.107 -8.029 1.00 0.00 C ATOM 1470 NZ LYS A 99 1.530 -11.065 -6.760 1.00 0.00 N ATOM 0 H LYS A 99 -4.277 -10.038 -9.205 1.00 0.00 H new ATOM 0 HA LYS A 99 -2.274 -8.615 -8.126 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -2.031 -10.850 -9.116 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -2.239 -10.194 -10.728 1.00 0.00 H new ATOM 0 HG2 LYS A 99 0.101 -10.545 -10.438 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -0.150 -8.813 -10.358 1.00 0.00 H new ATOM 0 HD2 LYS A 99 1.170 -9.051 -8.490 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -0.392 -9.312 -7.739 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -0.123 -11.743 -7.897 1.00 0.00 H new ATOM 0 HE3 LYS A 99 1.360 -11.559 -8.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 1.712 -12.035 -6.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 2.435 -10.580 -6.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 0.987 -10.551 -6.037 1.00 0.00 H new ATOM 1484 N LEU A 100 -2.799 -7.484 -11.193 1.00 0.00 N ATOM 1485 CA LEU A 100 -2.582 -6.339 -12.071 1.00 0.00 C ATOM 1486 C LEU A 100 -3.006 -5.042 -11.389 1.00 0.00 C ATOM 1487 O LEU A 100 -2.166 -4.245 -10.972 1.00 0.00 O ATOM 1488 CB LEU A 100 -3.356 -6.519 -13.377 1.00 0.00 C ATOM 1489 CG LEU A 100 -2.891 -7.660 -14.282 1.00 0.00 C ATOM 1490 CD1 LEU A 100 -3.911 -7.921 -15.380 1.00 0.00 C ATOM 1491 CD2 LEU A 100 -1.528 -7.344 -14.881 1.00 0.00 C ATOM 0 H LEU A 100 -3.358 -8.231 -11.605 1.00 0.00 H new ATOM 0 HA LEU A 100 -1.517 -6.279 -12.293 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -4.406 -6.680 -13.134 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -3.298 -5.588 -13.941 1.00 0.00 H new ATOM 0 HG LEU A 100 -2.800 -8.563 -13.678 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -3.563 -8.736 -16.014 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -4.867 -8.193 -14.932 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -4.036 -7.021 -15.982 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -1.213 -8.167 -15.522 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -1.593 -6.429 -15.470 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -0.801 -7.209 -14.080 1.00 0.00 H new ATOM 1503 N SER A 101 -4.315 -4.838 -11.278 1.00 0.00 N ATOM 1504 CA SER A 101 -4.851 -3.638 -10.648 1.00 0.00 C ATOM 1505 C SER A 101 -4.022 -3.248 -9.427 1.00 0.00 C ATOM 1506 O SER A 101 -3.583 -2.106 -9.301 1.00 0.00 O ATOM 1507 CB SER A 101 -6.309 -3.858 -10.240 1.00 0.00 C ATOM 1508 OG SER A 101 -7.035 -2.641 -10.266 1.00 0.00 O ATOM 0 H SER A 101 -5.024 -5.489 -11.616 1.00 0.00 H new ATOM 0 HA SER A 101 -4.803 -2.825 -11.373 1.00 0.00 H new ATOM 0 HB2 SER A 101 -6.774 -4.577 -10.914 1.00 0.00 H new ATOM 0 HB3 SER A 101 -6.349 -4.288 -9.239 1.00 0.00 H new ATOM 0 HG SER A 101 -6.415 -1.888 -10.174 1.00 0.00 H new ATOM 1514 N MET A 102 -3.813 -4.207 -8.531 1.00 0.00 N ATOM 1515 CA MET A 102 -3.037 -3.966 -7.321 1.00 0.00 C ATOM 1516 C MET A 102 -1.668 -3.385 -7.660 1.00 0.00 C ATOM 1517 O MET A 102 -1.356 -2.252 -7.295 1.00 0.00 O ATOM 1518 CB MET A 102 -2.871 -5.264 -6.529 1.00 0.00 C ATOM 1519 CG MET A 102 -4.155 -5.743 -5.871 1.00 0.00 C ATOM 1520 SD MET A 102 -4.877 -4.506 -4.776 1.00 0.00 S ATOM 1521 CE MET A 102 -3.533 -4.250 -3.620 1.00 0.00 C ATOM 0 H MET A 102 -4.170 -5.158 -8.620 1.00 0.00 H new ATOM 0 HA MET A 102 -3.578 -3.243 -6.710 1.00 0.00 H new ATOM 0 HB2 MET A 102 -2.502 -6.043 -7.197 1.00 0.00 H new ATOM 0 HB3 MET A 102 -2.112 -5.117 -5.761 1.00 0.00 H new ATOM 0 HG2 MET A 102 -4.878 -6.006 -6.643 1.00 0.00 H new ATOM 0 HG3 MET A 102 -3.951 -6.651 -5.303 1.00 0.00 H new ATOM 0 HE1 MET A 102 -3.912 -3.757 -2.725 1.00 0.00 H new ATOM 0 HE2 MET A 102 -3.099 -5.212 -3.348 1.00 0.00 H new ATOM 0 HE3 MET A 102 -2.769 -3.625 -4.083 1.00 0.00 H new ATOM 1531 N VAL A 103 -0.854 -4.169 -8.361 1.00 0.00 N ATOM 1532 CA VAL A 103 0.481 -3.731 -8.750 1.00 0.00 C ATOM 1533 C VAL A 103 0.433 -2.382 -9.457 1.00 0.00 C ATOM 1534 O VAL A 103 1.006 -1.401 -8.983 1.00 0.00 O ATOM 1535 CB VAL A 103 1.161 -4.759 -9.674 1.00 0.00 C ATOM 1536 CG1 VAL A 103 2.473 -4.208 -10.212 1.00 0.00 C ATOM 1537 CG2 VAL A 103 1.386 -6.071 -8.938 1.00 0.00 C ATOM 0 H VAL A 103 -1.096 -5.110 -8.671 1.00 0.00 H new ATOM 0 HA VAL A 103 1.063 -3.636 -7.833 1.00 0.00 H new ATOM 0 HB VAL A 103 0.502 -4.953 -10.520 1.00 0.00 H new ATOM 0 HG11 VAL A 103 2.939 -4.948 -10.863 1.00 0.00 H new ATOM 0 HG12 VAL A 103 2.280 -3.297 -10.779 1.00 0.00 H new ATOM 0 HG13 VAL A 103 3.141 -3.984 -9.381 1.00 0.00 H new ATOM 0 HG21 VAL A 103 1.867 -6.785 -9.606 1.00 0.00 H new ATOM 0 HG22 VAL A 103 2.024 -5.897 -8.072 1.00 0.00 H new ATOM 0 HG23 VAL A 103 0.428 -6.472 -8.608 1.00 0.00 H new ATOM 1547 N MET A 104 -0.255 -2.339 -10.593 1.00 0.00 N ATOM 1548 CA MET A 104 -0.379 -1.108 -11.365 1.00 0.00 C ATOM 1549 C MET A 104 -0.762 0.062 -10.465 1.00 0.00 C ATOM 1550 O MET A 104 -0.198 1.151 -10.573 1.00 0.00 O ATOM 1551 CB MET A 104 -1.422 -1.278 -12.472 1.00 0.00 C ATOM 1552 CG MET A 104 -1.132 -2.441 -13.406 1.00 0.00 C ATOM 1553 SD MET A 104 -2.320 -2.559 -14.758 1.00 0.00 S ATOM 1554 CE MET A 104 -2.363 -0.859 -15.320 1.00 0.00 C ATOM 0 H MET A 104 -0.735 -3.142 -10.999 1.00 0.00 H new ATOM 0 HA MET A 104 0.589 -0.893 -11.818 1.00 0.00 H new ATOM 0 HB2 MET A 104 -2.402 -1.423 -12.017 1.00 0.00 H new ATOM 0 HB3 MET A 104 -1.474 -0.359 -13.055 1.00 0.00 H new ATOM 0 HG2 MET A 104 -0.129 -2.330 -13.818 1.00 0.00 H new ATOM 0 HG3 MET A 104 -1.142 -3.370 -12.837 1.00 0.00 H new ATOM 0 HE1 MET A 104 -2.634 -0.831 -16.375 1.00 0.00 H new ATOM 0 HE2 MET A 104 -3.101 -0.303 -14.741 1.00 0.00 H new ATOM 0 HE3 MET A 104 -1.381 -0.406 -15.186 1.00 0.00 H new ATOM 1564 N TYR A 105 -1.722 -0.170 -9.577 1.00 0.00 N ATOM 1565 CA TYR A 105 -2.182 0.866 -8.660 1.00 0.00 C ATOM 1566 C TYR A 105 -1.070 1.276 -7.700 1.00 0.00 C ATOM 1567 O TYR A 105 -0.577 2.404 -7.747 1.00 0.00 O ATOM 1568 CB TYR A 105 -3.397 0.375 -7.870 1.00 0.00 C ATOM 1569 CG TYR A 105 -3.871 1.353 -6.819 1.00 0.00 C ATOM 1570 CD1 TYR A 105 -4.209 2.657 -7.157 1.00 0.00 C ATOM 1571 CD2 TYR A 105 -3.983 0.971 -5.488 1.00 0.00 C ATOM 1572 CE1 TYR A 105 -4.642 3.554 -6.200 1.00 0.00 C ATOM 1573 CE2 TYR A 105 -4.417 1.861 -4.524 1.00 0.00 C ATOM 1574 CZ TYR A 105 -4.744 3.151 -4.885 1.00 0.00 C ATOM 1575 OH TYR A 105 -5.177 4.041 -3.928 1.00 0.00 O ATOM 0 H TYR A 105 -2.197 -1.067 -9.473 1.00 0.00 H new ATOM 0 HA TYR A 105 -2.468 1.737 -9.250 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -4.214 0.175 -8.563 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -3.149 -0.571 -7.389 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -4.132 2.975 -8.186 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -3.727 -0.038 -5.202 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -4.899 4.565 -6.480 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -4.500 1.548 -3.494 1.00 0.00 H new ATOM 0 HH TYR A 105 -5.193 3.599 -3.054 1.00 0.00 H new ATOM 1585 N LEU A 106 -0.678 0.352 -6.829 1.00 0.00 N ATOM 1586 CA LEU A 106 0.377 0.616 -5.856 1.00 0.00 C ATOM 1587 C LEU A 106 1.538 1.365 -6.502 1.00 0.00 C ATOM 1588 O LEU A 106 2.070 2.318 -5.932 1.00 0.00 O ATOM 1589 CB LEU A 106 0.877 -0.696 -5.249 1.00 0.00 C ATOM 1590 CG LEU A 106 -0.083 -1.400 -4.289 1.00 0.00 C ATOM 1591 CD1 LEU A 106 0.326 -2.852 -4.094 1.00 0.00 C ATOM 1592 CD2 LEU A 106 -0.131 -0.673 -2.954 1.00 0.00 C ATOM 0 H LEU A 106 -1.075 -0.586 -6.777 1.00 0.00 H new ATOM 0 HA LEU A 106 -0.039 1.240 -5.065 1.00 0.00 H new ATOM 0 HB2 LEU A 106 1.114 -1.382 -6.062 1.00 0.00 H new ATOM 0 HB3 LEU A 106 1.808 -0.496 -4.719 1.00 0.00 H new ATOM 0 HG LEU A 106 -1.082 -1.381 -4.726 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -0.369 -3.337 -3.408 1.00 0.00 H new ATOM 0 HD12 LEU A 106 0.307 -3.368 -5.054 1.00 0.00 H new ATOM 0 HD13 LEU A 106 1.333 -2.894 -3.680 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -0.819 -1.188 -2.284 1.00 0.00 H new ATOM 0 HD22 LEU A 106 0.865 -0.659 -2.511 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -0.473 0.350 -3.109 1.00 0.00 H new ATOM 1604 N THR A 107 1.925 0.930 -7.697 1.00 0.00 N ATOM 1605 CA THR A 107 3.021 1.560 -8.422 1.00 0.00 C ATOM 1606 C THR A 107 2.967 3.078 -8.291 1.00 0.00 C ATOM 1607 O THR A 107 3.993 3.730 -8.106 1.00 0.00 O ATOM 1608 CB THR A 107 2.998 1.183 -9.915 1.00 0.00 C ATOM 1609 OG1 THR A 107 3.146 -0.233 -10.066 1.00 0.00 O ATOM 1610 CG2 THR A 107 4.108 1.898 -10.671 1.00 0.00 C ATOM 0 H THR A 107 1.495 0.143 -8.183 1.00 0.00 H new ATOM 0 HA THR A 107 3.946 1.193 -7.977 1.00 0.00 H new ATOM 0 HB THR A 107 2.039 1.493 -10.330 1.00 0.00 H new ATOM 0 HG1 THR A 107 2.303 -0.676 -9.836 1.00 0.00 H new ATOM 0 HG21 THR A 107 4.072 1.616 -11.723 1.00 0.00 H new ATOM 0 HG22 THR A 107 3.975 2.976 -10.579 1.00 0.00 H new ATOM 0 HG23 THR A 107 5.074 1.615 -10.253 1.00 0.00 H new ATOM 1618 N GLN A 108 1.763 3.632 -8.389 1.00 0.00 N ATOM 1619 CA GLN A 108 1.576 5.074 -8.281 1.00 0.00 C ATOM 1620 C GLN A 108 2.257 5.620 -7.030 1.00 0.00 C ATOM 1621 O GLN A 108 2.908 6.663 -7.070 1.00 0.00 O ATOM 1622 CB GLN A 108 0.085 5.416 -8.255 1.00 0.00 C ATOM 1623 CG GLN A 108 -0.669 4.941 -9.486 1.00 0.00 C ATOM 1624 CD GLN A 108 -2.073 5.508 -9.565 1.00 0.00 C ATOM 1625 OE1 GLN A 108 -2.263 6.724 -9.606 1.00 0.00 O ATOM 1626 NE2 GLN A 108 -3.067 4.628 -9.586 1.00 0.00 N ATOM 0 H GLN A 108 0.903 3.105 -8.543 1.00 0.00 H new ATOM 0 HA GLN A 108 2.033 5.540 -9.154 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -0.366 4.970 -7.368 1.00 0.00 H new ATOM 0 HB3 GLN A 108 -0.030 6.496 -8.163 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -0.115 5.227 -10.380 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -0.721 3.852 -9.478 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -2.864 3.629 -9.550 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -4.033 4.951 -9.638 1.00 0.00 H new ATOM 1635 N PHE A 109 2.101 4.907 -5.919 1.00 0.00 N ATOM 1636 CA PHE A 109 2.699 5.321 -4.655 1.00 0.00 C ATOM 1637 C PHE A 109 4.218 5.183 -4.702 1.00 0.00 C ATOM 1638 O PHE A 109 4.947 6.092 -4.303 1.00 0.00 O ATOM 1639 CB PHE A 109 2.136 4.486 -3.503 1.00 0.00 C ATOM 1640 CG PHE A 109 0.703 4.800 -3.181 1.00 0.00 C ATOM 1641 CD1 PHE A 109 -0.327 4.123 -3.813 1.00 0.00 C ATOM 1642 CD2 PHE A 109 0.386 5.771 -2.244 1.00 0.00 C ATOM 1643 CE1 PHE A 109 -1.647 4.410 -3.519 1.00 0.00 C ATOM 1644 CE2 PHE A 109 -0.932 6.062 -1.945 1.00 0.00 C ATOM 1645 CZ PHE A 109 -1.949 5.380 -2.583 1.00 0.00 C ATOM 0 H PHE A 109 1.566 4.040 -5.869 1.00 0.00 H new ATOM 0 HA PHE A 109 2.451 6.370 -4.490 1.00 0.00 H new ATOM 0 HB2 PHE A 109 2.220 3.429 -3.756 1.00 0.00 H new ATOM 0 HB3 PHE A 109 2.745 4.651 -2.614 1.00 0.00 H new ATOM 0 HD1 PHE A 109 -0.096 3.362 -4.544 1.00 0.00 H new ATOM 0 HD2 PHE A 109 1.178 6.307 -1.742 1.00 0.00 H new ATOM 0 HE1 PHE A 109 -2.441 3.877 -4.020 1.00 0.00 H new ATOM 0 HE2 PHE A 109 -1.166 6.821 -1.214 1.00 0.00 H new ATOM 0 HZ PHE A 109 -2.979 5.605 -2.350 1.00 0.00 H new ATOM 1655 N TYR A 110 4.688 4.042 -5.193 1.00 0.00 N ATOM 1656 CA TYR A 110 6.120 3.783 -5.290 1.00 0.00 C ATOM 1657 C TYR A 110 6.809 4.845 -6.142 1.00 0.00 C ATOM 1658 O TYR A 110 7.626 5.619 -5.645 1.00 0.00 O ATOM 1659 CB TYR A 110 6.370 2.396 -5.883 1.00 0.00 C ATOM 1660 CG TYR A 110 7.676 2.286 -6.637 1.00 0.00 C ATOM 1661 CD1 TYR A 110 8.867 2.029 -5.968 1.00 0.00 C ATOM 1662 CD2 TYR A 110 7.719 2.438 -8.017 1.00 0.00 C ATOM 1663 CE1 TYR A 110 10.063 1.929 -6.653 1.00 0.00 C ATOM 1664 CE2 TYR A 110 8.910 2.338 -8.710 1.00 0.00 C ATOM 1665 CZ TYR A 110 10.079 2.084 -8.023 1.00 0.00 C ATOM 1666 OH TYR A 110 11.268 1.983 -8.709 1.00 0.00 O ATOM 0 H TYR A 110 4.098 3.281 -5.530 1.00 0.00 H new ATOM 0 HA TYR A 110 6.539 3.821 -4.285 1.00 0.00 H new ATOM 0 HB2 TYR A 110 6.361 1.660 -5.079 1.00 0.00 H new ATOM 0 HB3 TYR A 110 5.550 2.144 -6.555 1.00 0.00 H new ATOM 0 HD1 TYR A 110 8.858 1.905 -4.895 1.00 0.00 H new ATOM 0 HD2 TYR A 110 6.806 2.638 -8.558 1.00 0.00 H new ATOM 0 HE1 TYR A 110 10.980 1.731 -6.118 1.00 0.00 H new ATOM 0 HE2 TYR A 110 8.926 2.458 -9.783 1.00 0.00 H new ATOM 0 HH TYR A 110 11.106 2.116 -9.666 1.00 0.00 H new ATOM 1676 N GLU A 111 6.471 4.874 -7.427 1.00 0.00 N ATOM 1677 CA GLU A 111 7.057 5.840 -8.349 1.00 0.00 C ATOM 1678 C GLU A 111 7.127 7.225 -7.713 1.00 0.00 C ATOM 1679 O GLU A 111 8.061 7.987 -7.961 1.00 0.00 O ATOM 1680 CB GLU A 111 6.243 5.902 -9.643 1.00 0.00 C ATOM 1681 CG GLU A 111 6.618 4.828 -10.650 1.00 0.00 C ATOM 1682 CD GLU A 111 7.803 5.223 -11.510 1.00 0.00 C ATOM 1683 OE1 GLU A 111 7.872 6.399 -11.922 1.00 0.00 O ATOM 1684 OE2 GLU A 111 8.662 4.354 -11.770 1.00 0.00 O ATOM 0 H GLU A 111 5.795 4.240 -7.853 1.00 0.00 H new ATOM 0 HA GLU A 111 8.071 5.514 -8.581 1.00 0.00 H new ATOM 0 HB2 GLU A 111 5.184 5.808 -9.401 1.00 0.00 H new ATOM 0 HB3 GLU A 111 6.379 6.881 -10.101 1.00 0.00 H new ATOM 0 HG2 GLU A 111 6.850 3.904 -10.121 1.00 0.00 H new ATOM 0 HG3 GLU A 111 5.761 4.621 -11.291 1.00 0.00 H new ATOM 1691 N MET A 112 6.133 7.544 -6.891 1.00 0.00 N ATOM 1692 CA MET A 112 6.082 8.837 -6.218 1.00 0.00 C ATOM 1693 C MET A 112 7.085 8.892 -5.071 1.00 0.00 C ATOM 1694 O MET A 112 7.782 9.891 -4.890 1.00 0.00 O ATOM 1695 CB MET A 112 4.671 9.106 -5.691 1.00 0.00 C ATOM 1696 CG MET A 112 4.497 10.498 -5.104 1.00 0.00 C ATOM 1697 SD MET A 112 2.830 10.785 -4.481 1.00 0.00 S ATOM 1698 CE MET A 112 1.903 10.856 -6.012 1.00 0.00 C ATOM 0 H MET A 112 5.352 6.925 -6.675 1.00 0.00 H new ATOM 0 HA MET A 112 6.344 9.607 -6.943 1.00 0.00 H new ATOM 0 HB2 MET A 112 3.957 8.971 -6.503 1.00 0.00 H new ATOM 0 HB3 MET A 112 4.430 8.366 -4.928 1.00 0.00 H new ATOM 0 HG2 MET A 112 5.213 10.639 -4.294 1.00 0.00 H new ATOM 0 HG3 MET A 112 4.729 11.241 -5.867 1.00 0.00 H new ATOM 0 HE1 MET A 112 0.867 11.117 -5.798 1.00 0.00 H new ATOM 0 HE2 MET A 112 2.339 11.610 -6.667 1.00 0.00 H new ATOM 0 HE3 MET A 112 1.938 9.884 -6.504 1.00 0.00 H new ATOM 1708 N PHE A 113 7.154 7.813 -4.297 1.00 0.00 N ATOM 1709 CA PHE A 113 8.072 7.741 -3.166 1.00 0.00 C ATOM 1710 C PHE A 113 9.264 6.845 -3.490 1.00 0.00 C ATOM 1711 O PHE A 113 9.783 6.145 -2.621 1.00 0.00 O ATOM 1712 CB PHE A 113 7.346 7.215 -1.927 1.00 0.00 C ATOM 1713 CG PHE A 113 6.190 8.073 -1.499 1.00 0.00 C ATOM 1714 CD1 PHE A 113 6.284 9.455 -1.539 1.00 0.00 C ATOM 1715 CD2 PHE A 113 5.008 7.499 -1.059 1.00 0.00 C ATOM 1716 CE1 PHE A 113 5.222 10.247 -1.145 1.00 0.00 C ATOM 1717 CE2 PHE A 113 3.943 8.286 -0.665 1.00 0.00 C ATOM 1718 CZ PHE A 113 4.050 9.662 -0.709 1.00 0.00 C ATOM 0 H PHE A 113 6.585 6.977 -4.433 1.00 0.00 H new ATOM 0 HA PHE A 113 8.440 8.747 -2.963 1.00 0.00 H new ATOM 0 HB2 PHE A 113 6.984 6.207 -2.129 1.00 0.00 H new ATOM 0 HB3 PHE A 113 8.057 7.140 -1.104 1.00 0.00 H new ATOM 0 HD1 PHE A 113 7.197 9.918 -1.882 1.00 0.00 H new ATOM 0 HD2 PHE A 113 4.918 6.423 -1.024 1.00 0.00 H new ATOM 0 HE1 PHE A 113 5.309 11.323 -1.178 1.00 0.00 H new ATOM 0 HE2 PHE A 113 3.028 7.826 -0.323 1.00 0.00 H new ATOM 0 HZ PHE A 113 3.218 10.279 -0.403 1.00 0.00 H new ATOM 1728 N LYS A 114 9.692 6.871 -4.748 1.00 0.00 N ATOM 1729 CA LYS A 114 10.822 6.063 -5.189 1.00 0.00 C ATOM 1730 C LYS A 114 12.135 6.819 -5.007 1.00 0.00 C ATOM 1731 O LYS A 114 13.164 6.226 -4.682 1.00 0.00 O ATOM 1732 CB LYS A 114 10.650 5.666 -6.656 1.00 0.00 C ATOM 1733 CG LYS A 114 11.044 6.760 -7.633 1.00 0.00 C ATOM 1734 CD LYS A 114 10.956 6.281 -9.073 1.00 0.00 C ATOM 1735 CE LYS A 114 11.173 7.422 -10.054 1.00 0.00 C ATOM 1736 NZ LYS A 114 12.563 7.952 -9.990 1.00 0.00 N ATOM 0 H LYS A 114 9.272 7.444 -5.480 1.00 0.00 H new ATOM 0 HA LYS A 114 10.853 5.162 -4.576 1.00 0.00 H new ATOM 0 HB2 LYS A 114 11.250 4.778 -6.856 1.00 0.00 H new ATOM 0 HB3 LYS A 114 9.609 5.393 -6.830 1.00 0.00 H new ATOM 0 HG2 LYS A 114 10.393 7.623 -7.496 1.00 0.00 H new ATOM 0 HG3 LYS A 114 12.061 7.090 -7.420 1.00 0.00 H new ATOM 0 HD2 LYS A 114 11.701 5.505 -9.246 1.00 0.00 H new ATOM 0 HD3 LYS A 114 9.979 5.830 -9.248 1.00 0.00 H new ATOM 0 HE2 LYS A 114 10.963 7.076 -11.066 1.00 0.00 H new ATOM 0 HE3 LYS A 114 10.468 8.225 -9.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 12.680 8.705 -10.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 12.745 8.337 -9.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 13.237 7.185 -10.187 1.00 0.00 H new ATOM 1750 N ASP A 115 12.091 8.130 -5.216 1.00 0.00 N ATOM 1751 CA ASP A 115 13.277 8.967 -5.072 1.00 0.00 C ATOM 1752 C ASP A 115 13.504 9.341 -3.611 1.00 0.00 C ATOM 1753 O ASP A 115 14.611 9.204 -3.089 1.00 0.00 O ATOM 1754 CB ASP A 115 13.140 10.232 -5.921 1.00 0.00 C ATOM 1755 CG ASP A 115 12.307 11.299 -5.238 1.00 0.00 C ATOM 1756 OD1 ASP A 115 11.071 11.132 -5.168 1.00 0.00 O ATOM 1757 OD2 ASP A 115 12.890 12.301 -4.774 1.00 0.00 O ATOM 0 H ASP A 115 11.248 8.636 -5.486 1.00 0.00 H new ATOM 0 HA ASP A 115 14.139 8.397 -5.420 1.00 0.00 H new ATOM 0 HB2 ASP A 115 14.131 10.631 -6.136 1.00 0.00 H new ATOM 0 HB3 ASP A 115 12.685 9.977 -6.878 1.00 0.00 H new ATOM 1762 N SER A 116 12.449 9.816 -2.956 1.00 0.00 N ATOM 1763 CA SER A 116 12.534 10.215 -1.556 1.00 0.00 C ATOM 1764 C SER A 116 13.407 9.244 -0.767 1.00 0.00 C ATOM 1765 O SER A 116 13.346 8.032 -0.970 1.00 0.00 O ATOM 1766 CB SER A 116 11.137 10.282 -0.937 1.00 0.00 C ATOM 1767 OG SER A 116 11.206 10.586 0.445 1.00 0.00 O ATOM 0 H SER A 116 11.525 9.934 -3.373 1.00 0.00 H new ATOM 0 HA SER A 116 12.990 11.204 -1.512 1.00 0.00 H new ATOM 0 HB2 SER A 116 10.544 11.039 -1.450 1.00 0.00 H new ATOM 0 HB3 SER A 116 10.627 9.329 -1.078 1.00 0.00 H new ATOM 0 HG SER A 116 10.746 9.888 0.957 1.00 0.00 H new ATOM 1773 N GLY A 117 14.219 9.786 0.136 1.00 0.00 N ATOM 1774 CA GLY A 117 15.092 8.955 0.943 1.00 0.00 C ATOM 1775 C GLY A 117 16.510 8.912 0.407 1.00 0.00 C ATOM 1776 O GLY A 117 17.178 9.938 0.275 1.00 0.00 O ATOM 0 H GLY A 117 14.287 10.786 0.323 1.00 0.00 H new ATOM 0 HA2 GLY A 117 15.105 9.332 1.965 1.00 0.00 H new ATOM 0 HA3 GLY A 117 14.691 7.942 0.982 1.00 0.00 H new ATOM 1780 N PRO A 118 16.990 7.701 0.088 1.00 0.00 N ATOM 1781 CA PRO A 118 18.342 7.500 -0.440 1.00 0.00 C ATOM 1782 C PRO A 118 18.498 8.042 -1.857 1.00 0.00 C ATOM 1783 O PRO A 118 17.859 7.557 -2.791 1.00 0.00 O ATOM 1784 CB PRO A 118 18.504 5.978 -0.430 1.00 0.00 C ATOM 1785 CG PRO A 118 17.114 5.448 -0.515 1.00 0.00 C ATOM 1786 CD PRO A 118 16.249 6.435 0.219 1.00 0.00 C ATOM 0 HA PRO A 118 19.092 8.027 0.150 1.00 0.00 H new ATOM 0 HB2 PRO A 118 19.109 5.639 -1.271 1.00 0.00 H new ATOM 0 HB3 PRO A 118 19.002 5.639 0.478 1.00 0.00 H new ATOM 0 HG2 PRO A 118 16.797 5.348 -1.553 1.00 0.00 H new ATOM 0 HG3 PRO A 118 17.046 4.458 -0.064 1.00 0.00 H new ATOM 0 HD2 PRO A 118 15.255 6.504 -0.222 1.00 0.00 H new ATOM 0 HD3 PRO A 118 16.116 6.154 1.264 1.00 0.00 H new ATOM 1794 N SER A 119 19.351 9.050 -2.010 1.00 0.00 N ATOM 1795 CA SER A 119 19.588 9.660 -3.313 1.00 0.00 C ATOM 1796 C SER A 119 20.174 8.645 -4.290 1.00 0.00 C ATOM 1797 O SER A 119 21.170 7.986 -3.994 1.00 0.00 O ATOM 1798 CB SER A 119 20.532 10.856 -3.175 1.00 0.00 C ATOM 1799 OG SER A 119 21.821 10.443 -2.757 1.00 0.00 O ATOM 0 H SER A 119 19.889 9.461 -1.248 1.00 0.00 H new ATOM 0 HA SER A 119 18.631 10.004 -3.705 1.00 0.00 H new ATOM 0 HB2 SER A 119 20.606 11.377 -4.130 1.00 0.00 H new ATOM 0 HB3 SER A 119 20.123 11.565 -2.455 1.00 0.00 H new ATOM 0 HG SER A 119 21.934 9.487 -2.942 1.00 0.00 H new ATOM 1805 N SER A 120 19.547 8.526 -5.455 1.00 0.00 N ATOM 1806 CA SER A 120 20.002 7.589 -6.476 1.00 0.00 C ATOM 1807 C SER A 120 21.185 8.162 -7.250 1.00 0.00 C ATOM 1808 O SER A 120 21.254 9.364 -7.500 1.00 0.00 O ATOM 1809 CB SER A 120 18.861 7.255 -7.439 1.00 0.00 C ATOM 1810 OG SER A 120 18.660 8.302 -8.373 1.00 0.00 O ATOM 0 H SER A 120 18.722 9.066 -5.716 1.00 0.00 H new ATOM 0 HA SER A 120 20.324 6.675 -5.977 1.00 0.00 H new ATOM 0 HB2 SER A 120 19.087 6.329 -7.968 1.00 0.00 H new ATOM 0 HB3 SER A 120 17.943 7.084 -6.876 1.00 0.00 H new ATOM 0 HG SER A 120 17.927 8.064 -8.978 1.00 0.00 H new ATOM 1816 N GLY A 121 22.116 7.290 -7.628 1.00 0.00 N ATOM 1817 CA GLY A 121 23.284 7.727 -8.369 1.00 0.00 C ATOM 1818 C GLY A 121 22.981 7.979 -9.833 1.00 0.00 C ATOM 1819 O GLY A 121 22.084 7.357 -10.404 1.00 0.00 O ATOM 0 H GLY A 121 22.081 6.289 -7.434 1.00 0.00 H new ATOM 0 HA2 GLY A 121 23.675 8.640 -7.920 1.00 0.00 H new ATOM 0 HA3 GLY A 121 24.066 6.972 -8.288 1.00 0.00 H new TER 1823 GLY A 121