USER MOD reduce.3.24.130724 H: found=0, std=0, add=757, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 760 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 70 GLN :FLIP amide:sc= -2.91 F(o=-6.6,f=-3.8) USER MOD Set 1.2: B 102 THR OG1 : rot 44:sc= -0.93 USER MOD Set 2.1: A 81 SER OG : rot 180:sc= 0.187 USER MOD Set 2.2: A 82 SER OG : rot 180:sc= 0.0429 USER MOD Set 3.1: A 13 LYS NZ :NH3+ 180:sc=0.000138 (180deg=0) USER MOD Set 3.2: A 80 THR OG1 : rot -110:sc= 1.28 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 15 ASN : amide:sc= 0.397 X(o=0.4,f=0) USER MOD Single : A 17 MET CE :methyl 149:sc= -1.28 (180deg=-1.84!) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.265 X(o=-0.26,f=-0.063) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 54:sc= 0.971 USER MOD Single : A 41 LYS NZ :NH3+ -170:sc= -0.0395 (180deg=-0.219) USER MOD Single : A 56 GLN : amide:sc= -0.32 K(o=-0.32,f=-3.5!) USER MOD Single : A 59 SER OG : rot 40:sc= 1.24 USER MOD Single : A 64 SER OG : rot 42:sc= 0.111 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 77 MET CE :methyl -114:sc= -2.58! (180deg=-5.54!) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.0704) USER MOD Single : A 91 GLN : amide:sc= -3.71! X(o=-3.7!,f=-3.8) USER MOD Single : B 101 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.856 5.703 -24.419 1.00 0.00 N ATOM 2 CA MET A 1 -8.054 6.307 -23.321 1.00 0.00 C ATOM 3 C MET A 1 -8.425 5.698 -21.967 1.00 0.00 C ATOM 4 O MET A 1 -9.220 6.265 -21.215 1.00 0.00 O ATOM 5 CB MET A 1 -8.291 7.825 -23.317 1.00 0.00 C ATOM 6 CG MET A 1 -7.253 8.607 -22.527 1.00 0.00 C ATOM 7 SD MET A 1 -7.699 10.344 -22.330 1.00 0.00 S ATOM 8 CE MET A 1 -7.217 11.001 -23.926 1.00 0.00 C ATOM 0 H1 MET A 1 -8.584 6.134 -25.325 1.00 0.00 H new ATOM 0 H2 MET A 1 -8.678 4.679 -24.456 1.00 0.00 H new ATOM 0 H3 MET A 1 -9.867 5.873 -24.244 1.00 0.00 H new ATOM 0 HA MET A 1 -6.997 6.099 -23.490 1.00 0.00 H new ATOM 0 HB2 MET A 1 -8.298 8.185 -24.346 1.00 0.00 H new ATOM 0 HB3 MET A 1 -9.278 8.028 -22.902 1.00 0.00 H new ATOM 0 HG2 MET A 1 -7.132 8.153 -21.544 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.289 8.538 -23.031 1.00 0.00 H new ATOM 0 HE1 MET A 1 -7.431 12.069 -23.959 1.00 0.00 H new ATOM 0 HE2 MET A 1 -6.150 10.840 -24.079 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.777 10.494 -24.712 1.00 0.00 H new ATOM 20 N LYS A 2 -7.842 4.536 -21.666 1.00 0.00 N ATOM 21 CA LYS A 2 -8.108 3.849 -20.404 1.00 0.00 C ATOM 22 C LYS A 2 -7.230 4.413 -19.288 1.00 0.00 C ATOM 23 O LYS A 2 -6.012 4.522 -19.439 1.00 0.00 O ATOM 24 CB LYS A 2 -7.870 2.340 -20.545 1.00 0.00 C ATOM 25 CG LYS A 2 -9.100 1.496 -20.236 1.00 0.00 C ATOM 26 CD LYS A 2 -9.573 1.690 -18.801 1.00 0.00 C ATOM 27 CE LYS A 2 -11.086 1.853 -18.729 1.00 0.00 C ATOM 28 NZ LYS A 2 -11.668 1.199 -17.522 1.00 0.00 N ATOM 0 H LYS A 2 -7.184 4.053 -22.278 1.00 0.00 H new ATOM 0 HA LYS A 2 -9.154 4.015 -20.146 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -7.539 2.126 -21.561 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -7.060 2.045 -19.878 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -9.904 1.760 -20.923 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -8.870 0.444 -20.404 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -9.269 0.834 -18.198 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -9.091 2.569 -18.373 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -11.335 2.914 -18.720 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -11.538 1.427 -19.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -12.699 1.336 -17.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -11.454 0.181 -17.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -11.257 1.623 -16.666 1.00 0.00 H new ATOM 42 N GLU A 3 -7.860 4.771 -18.170 1.00 0.00 N ATOM 43 CA GLU A 3 -7.143 5.328 -17.025 1.00 0.00 C ATOM 44 C GLU A 3 -7.435 4.529 -15.757 1.00 0.00 C ATOM 45 O GLU A 3 -8.518 3.957 -15.610 1.00 0.00 O ATOM 46 CB GLU A 3 -7.531 6.796 -16.821 1.00 0.00 C ATOM 47 CG GLU A 3 -7.391 7.641 -18.081 1.00 0.00 C ATOM 48 CD GLU A 3 -8.294 8.863 -18.095 1.00 0.00 C ATOM 49 OE1 GLU A 3 -9.380 8.816 -17.475 1.00 0.00 O ATOM 50 OE2 GLU A 3 -7.918 9.868 -18.734 1.00 0.00 O ATOM 0 H GLU A 3 -8.867 4.685 -18.033 1.00 0.00 H new ATOM 0 HA GLU A 3 -6.074 5.267 -17.231 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -8.562 6.846 -16.472 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -6.908 7.223 -16.035 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -6.355 7.964 -18.179 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -7.616 7.023 -18.950 1.00 0.00 H new ATOM 57 N PRO A 4 -6.466 4.479 -14.820 1.00 0.00 N ATOM 58 CA PRO A 4 -6.620 3.745 -13.555 1.00 0.00 C ATOM 59 C PRO A 4 -7.654 4.384 -12.627 1.00 0.00 C ATOM 60 O PRO A 4 -8.149 5.480 -12.893 1.00 0.00 O ATOM 61 CB PRO A 4 -5.224 3.814 -12.929 1.00 0.00 C ATOM 62 CG PRO A 4 -4.601 5.030 -13.523 1.00 0.00 C ATOM 63 CD PRO A 4 -5.147 5.133 -14.919 1.00 0.00 C ATOM 0 HA PRO A 4 -6.979 2.729 -13.719 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -5.281 3.889 -11.843 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -4.643 2.920 -13.157 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -4.846 5.918 -12.941 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -3.514 4.946 -13.534 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -5.236 6.171 -15.240 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -4.503 4.631 -15.640 1.00 0.00 H new ATOM 71 N GLU A 5 -7.971 3.689 -11.534 1.00 0.00 N ATOM 72 CA GLU A 5 -8.940 4.184 -10.563 1.00 0.00 C ATOM 73 C GLU A 5 -8.402 4.044 -9.145 1.00 0.00 C ATOM 74 O GLU A 5 -8.430 2.960 -8.558 1.00 0.00 O ATOM 75 CB GLU A 5 -10.265 3.436 -10.703 1.00 0.00 C ATOM 76 CG GLU A 5 -11.451 4.179 -10.108 1.00 0.00 C ATOM 77 CD GLU A 5 -12.782 3.576 -10.517 1.00 0.00 C ATOM 78 OE1 GLU A 5 -13.232 3.844 -11.652 1.00 0.00 O ATOM 79 OE2 GLU A 5 -13.374 2.837 -9.703 1.00 0.00 O ATOM 0 H GLU A 5 -7.569 2.781 -11.301 1.00 0.00 H new ATOM 0 HA GLU A 5 -9.113 5.242 -10.762 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -10.457 3.249 -11.760 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -10.176 2.464 -10.219 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -11.372 4.171 -9.021 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -11.417 5.222 -10.423 1.00 0.00 H new ATOM 86 N ILE A 6 -7.912 5.152 -8.607 1.00 0.00 N ATOM 87 CA ILE A 6 -7.361 5.177 -7.258 1.00 0.00 C ATOM 88 C ILE A 6 -8.458 5.459 -6.233 1.00 0.00 C ATOM 89 O ILE A 6 -9.303 6.333 -6.443 1.00 0.00 O ATOM 90 CB ILE A 6 -6.249 6.240 -7.135 1.00 0.00 C ATOM 91 CG1 ILE A 6 -5.153 5.990 -8.177 1.00 0.00 C ATOM 92 CG2 ILE A 6 -5.660 6.245 -5.731 1.00 0.00 C ATOM 93 CD1 ILE A 6 -5.299 6.836 -9.425 1.00 0.00 C ATOM 0 H ILE A 6 -7.885 6.051 -9.087 1.00 0.00 H new ATOM 0 HA ILE A 6 -6.931 4.196 -7.058 1.00 0.00 H new ATOM 0 HB ILE A 6 -6.689 7.219 -7.323 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -4.181 6.189 -7.725 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -5.164 4.937 -8.458 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -4.878 7.002 -5.667 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -6.444 6.471 -5.008 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -5.236 5.265 -5.511 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -4.489 6.606 -10.117 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -6.256 6.620 -9.901 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -5.257 7.891 -9.156 1.00 0.00 H new ATOM 105 N ILE A 7 -8.445 4.709 -5.130 1.00 0.00 N ATOM 106 CA ILE A 7 -9.446 4.874 -4.078 1.00 0.00 C ATOM 107 C ILE A 7 -8.837 4.696 -2.688 1.00 0.00 C ATOM 108 O ILE A 7 -7.926 3.888 -2.496 1.00 0.00 O ATOM 109 CB ILE A 7 -10.615 3.875 -4.243 1.00 0.00 C ATOM 110 CG1 ILE A 7 -10.099 2.431 -4.267 1.00 0.00 C ATOM 111 CG2 ILE A 7 -11.405 4.182 -5.510 1.00 0.00 C ATOM 112 CD1 ILE A 7 -10.832 1.511 -3.313 1.00 0.00 C ATOM 0 H ILE A 7 -7.753 3.983 -4.943 1.00 0.00 H new ATOM 0 HA ILE A 7 -9.827 5.891 -4.175 1.00 0.00 H new ATOM 0 HB ILE A 7 -11.280 3.984 -3.386 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -10.190 2.038 -5.280 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -9.038 2.429 -4.018 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -12.224 3.469 -5.610 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -11.809 5.193 -5.451 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -10.748 4.104 -6.376 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -10.414 0.507 -3.383 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -10.720 1.880 -2.293 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -11.890 1.483 -3.575 1.00 0.00 H new ATOM 124 N THR A 8 -9.358 5.452 -1.723 1.00 0.00 N ATOM 125 CA THR A 8 -8.882 5.384 -0.343 1.00 0.00 C ATOM 126 C THR A 8 -9.896 4.667 0.547 1.00 0.00 C ATOM 127 O THR A 8 -11.071 5.039 0.586 1.00 0.00 O ATOM 128 CB THR A 8 -8.622 6.793 0.206 1.00 0.00 C ATOM 129 OG1 THR A 8 -8.063 7.633 -0.789 1.00 0.00 O ATOM 130 CG2 THR A 8 -7.690 6.811 1.399 1.00 0.00 C ATOM 0 H THR A 8 -10.113 6.121 -1.873 1.00 0.00 H new ATOM 0 HA THR A 8 -7.949 4.820 -0.338 1.00 0.00 H new ATOM 0 HB THR A 8 -9.599 7.158 0.522 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.908 8.525 -0.415 1.00 0.00 H new ATOM 0 HG21 THR A 8 -7.550 7.838 1.736 1.00 0.00 H new ATOM 0 HG22 THR A 8 -8.121 6.220 2.207 1.00 0.00 H new ATOM 0 HG23 THR A 8 -6.727 6.388 1.114 1.00 0.00 H new ATOM 138 N VAL A 9 -9.432 3.644 1.264 1.00 0.00 N ATOM 139 CA VAL A 9 -10.295 2.878 2.160 1.00 0.00 C ATOM 140 C VAL A 9 -9.809 2.968 3.604 1.00 0.00 C ATOM 141 O VAL A 9 -8.670 3.360 3.863 1.00 0.00 O ATOM 142 CB VAL A 9 -10.374 1.393 1.750 1.00 0.00 C ATOM 143 CG1 VAL A 9 -11.032 1.250 0.388 1.00 0.00 C ATOM 144 CG2 VAL A 9 -8.991 0.753 1.752 1.00 0.00 C ATOM 0 H VAL A 9 -8.463 3.327 1.241 1.00 0.00 H new ATOM 0 HA VAL A 9 -11.289 3.318 2.082 1.00 0.00 H new ATOM 0 HB VAL A 9 -10.987 0.870 2.484 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -11.079 0.196 0.115 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -12.041 1.660 0.427 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -10.449 1.792 -0.357 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -9.074 -0.294 1.460 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -8.347 1.277 1.046 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -8.562 0.817 2.752 1.00 0.00 H new ATOM 154 N THR A 10 -10.682 2.601 4.541 1.00 0.00 N ATOM 155 CA THR A 10 -10.346 2.636 5.960 1.00 0.00 C ATOM 156 C THR A 10 -10.613 1.277 6.610 1.00 0.00 C ATOM 157 O THR A 10 -11.763 0.846 6.715 1.00 0.00 O ATOM 158 CB THR A 10 -11.153 3.731 6.664 1.00 0.00 C ATOM 159 OG1 THR A 10 -11.024 4.969 5.983 1.00 0.00 O ATOM 160 CG2 THR A 10 -10.735 3.955 8.101 1.00 0.00 C ATOM 0 H THR A 10 -11.628 2.276 4.341 1.00 0.00 H new ATOM 0 HA THR A 10 -9.284 2.861 6.061 1.00 0.00 H new ATOM 0 HB THR A 10 -12.184 3.378 6.652 1.00 0.00 H new ATOM 0 HG1 THR A 10 -11.548 5.654 6.448 1.00 0.00 H new ATOM 0 HG21 THR A 10 -11.347 4.743 8.539 1.00 0.00 H new ATOM 0 HG22 THR A 10 -10.870 3.033 8.667 1.00 0.00 H new ATOM 0 HG23 THR A 10 -9.686 4.250 8.133 1.00 0.00 H new ATOM 168 N LEU A 11 -9.542 0.609 7.039 1.00 0.00 N ATOM 169 CA LEU A 11 -9.651 -0.704 7.675 1.00 0.00 C ATOM 170 C LEU A 11 -8.979 -0.701 9.048 1.00 0.00 C ATOM 171 O LEU A 11 -7.945 -0.060 9.238 1.00 0.00 O ATOM 172 CB LEU A 11 -9.013 -1.780 6.787 1.00 0.00 C ATOM 173 CG LEU A 11 -9.358 -1.687 5.296 1.00 0.00 C ATOM 174 CD1 LEU A 11 -8.217 -2.227 4.447 1.00 0.00 C ATOM 175 CD2 LEU A 11 -10.647 -2.437 4.998 1.00 0.00 C ATOM 0 H LEU A 11 -8.587 0.957 6.957 1.00 0.00 H new ATOM 0 HA LEU A 11 -10.709 -0.929 7.806 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -7.930 -1.723 6.897 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -9.320 -2.759 7.154 1.00 0.00 H new ATOM 0 HG LEU A 11 -9.505 -0.637 5.044 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -8.481 -2.152 3.392 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -7.315 -1.645 4.637 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -8.036 -3.271 4.703 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -10.876 -2.360 3.935 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -10.528 -3.486 5.268 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -11.462 -2.003 5.577 1.00 0.00 H new ATOM 187 N LYS A 12 -9.570 -1.423 10.000 1.00 0.00 N ATOM 188 CA LYS A 12 -9.024 -1.503 11.354 1.00 0.00 C ATOM 189 C LYS A 12 -8.141 -2.742 11.518 1.00 0.00 C ATOM 190 O LYS A 12 -8.301 -3.730 10.799 1.00 0.00 O ATOM 191 CB LYS A 12 -10.156 -1.526 12.387 1.00 0.00 C ATOM 192 CG LYS A 12 -10.076 -0.398 13.405 1.00 0.00 C ATOM 193 CD LYS A 12 -11.347 -0.301 14.236 1.00 0.00 C ATOM 194 CE LYS A 12 -11.204 0.715 15.360 1.00 0.00 C ATOM 195 NZ LYS A 12 -12.526 1.193 15.856 1.00 0.00 N ATOM 0 H LYS A 12 -10.426 -1.960 9.859 1.00 0.00 H new ATOM 0 HA LYS A 12 -8.409 -0.618 11.520 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -11.112 -1.467 11.867 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -10.137 -2.481 12.913 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -9.222 -0.561 14.063 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -9.905 0.547 12.889 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -12.182 -0.019 13.594 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -11.584 -1.279 14.656 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -10.648 0.267 16.184 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -10.621 1.565 15.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -12.381 1.883 16.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -13.047 1.644 15.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -13.074 0.386 16.217 1.00 0.00 H new ATOM 209 N LYS A 13 -7.211 -2.678 12.470 1.00 0.00 N ATOM 210 CA LYS A 13 -6.299 -3.789 12.737 1.00 0.00 C ATOM 211 C LYS A 13 -6.976 -4.862 13.586 1.00 0.00 C ATOM 212 O LYS A 13 -7.516 -4.571 14.655 1.00 0.00 O ATOM 213 CB LYS A 13 -5.040 -3.285 13.450 1.00 0.00 C ATOM 214 CG LYS A 13 -4.024 -2.640 12.520 1.00 0.00 C ATOM 215 CD LYS A 13 -2.868 -2.027 13.297 1.00 0.00 C ATOM 216 CE LYS A 13 -2.099 -1.018 12.456 1.00 0.00 C ATOM 217 NZ LYS A 13 -0.818 -1.578 11.936 1.00 0.00 N ATOM 0 H LYS A 13 -7.069 -1.866 13.071 1.00 0.00 H new ATOM 0 HA LYS A 13 -6.019 -4.229 11.780 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -5.330 -2.562 14.213 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -4.567 -4.121 13.966 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -3.641 -3.386 11.824 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -4.513 -1.869 11.924 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -3.250 -1.538 14.193 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -2.192 -2.816 13.628 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -2.719 -0.697 11.619 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -1.889 -0.132 13.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -0.328 -0.856 11.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -0.214 -1.861 12.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -1.018 -2.408 11.342 1.00 0.00 H new ATOM 231 N GLN A 14 -6.935 -6.105 13.106 1.00 0.00 N ATOM 232 CA GLN A 14 -7.539 -7.229 13.823 1.00 0.00 C ATOM 233 C GLN A 14 -6.493 -7.943 14.677 1.00 0.00 C ATOM 234 O GLN A 14 -6.684 -8.133 15.879 1.00 0.00 O ATOM 235 CB GLN A 14 -8.176 -8.218 12.838 1.00 0.00 C ATOM 236 CG GLN A 14 -9.037 -7.552 11.775 1.00 0.00 C ATOM 237 CD GLN A 14 -10.464 -7.324 12.238 1.00 0.00 C ATOM 238 OE1 GLN A 14 -10.699 -6.744 13.299 1.00 0.00 O ATOM 239 NE2 GLN A 14 -11.426 -7.776 11.442 1.00 0.00 N ATOM 0 H GLN A 14 -6.490 -6.359 12.224 1.00 0.00 H new ATOM 0 HA GLN A 14 -8.318 -6.836 14.477 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -7.387 -8.789 12.349 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -8.786 -8.929 13.394 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -8.592 -6.596 11.498 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -9.045 -8.172 10.878 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -11.187 -8.251 10.572 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -12.404 -7.648 11.701 1.00 0.00 H new ATOM 248 N ASN A 15 -5.384 -8.327 14.044 1.00 0.00 N ATOM 249 CA ASN A 15 -4.290 -9.013 14.732 1.00 0.00 C ATOM 250 C ASN A 15 -3.019 -8.991 13.876 1.00 0.00 C ATOM 251 O ASN A 15 -2.326 -10.002 13.740 1.00 0.00 O ATOM 252 CB ASN A 15 -4.688 -10.459 15.062 1.00 0.00 C ATOM 253 CG ASN A 15 -4.011 -10.972 16.320 1.00 0.00 C ATOM 254 OD1 ASN A 15 -4.613 -11.003 17.393 1.00 0.00 O ATOM 255 ND2 ASN A 15 -2.753 -11.378 16.194 1.00 0.00 N ATOM 0 H ASN A 15 -5.219 -8.173 13.049 1.00 0.00 H new ATOM 0 HA ASN A 15 -4.086 -8.487 15.665 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -5.769 -10.516 15.185 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -4.428 -11.105 14.223 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -2.248 -11.733 17.006 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -2.292 -11.335 15.285 1.00 0.00 H new ATOM 262 N GLY A 16 -2.728 -7.823 13.296 1.00 0.00 N ATOM 263 CA GLY A 16 -1.553 -7.673 12.453 1.00 0.00 C ATOM 264 C GLY A 16 -1.911 -7.573 10.982 1.00 0.00 C ATOM 265 O GLY A 16 -2.927 -8.121 10.548 1.00 0.00 O ATOM 0 H GLY A 16 -3.289 -6.977 13.397 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -1.004 -6.780 12.753 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -0.887 -8.522 12.606 1.00 0.00 H new ATOM 269 N MET A 17 -1.077 -6.870 10.214 1.00 0.00 N ATOM 270 CA MET A 17 -1.311 -6.698 8.780 1.00 0.00 C ATOM 271 C MET A 17 -0.994 -7.987 8.023 1.00 0.00 C ATOM 272 O MET A 17 -1.900 -8.666 7.539 1.00 0.00 O ATOM 273 CB MET A 17 -0.466 -5.541 8.227 1.00 0.00 C ATOM 274 CG MET A 17 -0.888 -4.173 8.744 1.00 0.00 C ATOM 275 SD MET A 17 -1.839 -3.230 7.536 1.00 0.00 S ATOM 276 CE MET A 17 -0.524 -2.482 6.578 1.00 0.00 C ATOM 0 H MET A 17 -0.235 -6.411 10.561 1.00 0.00 H new ATOM 0 HA MET A 17 -2.365 -6.459 8.637 1.00 0.00 H new ATOM 0 HB2 MET A 17 0.579 -5.711 8.485 1.00 0.00 H new ATOM 0 HB3 MET A 17 -0.530 -5.544 7.139 1.00 0.00 H new ATOM 0 HG2 MET A 17 -1.483 -4.300 9.649 1.00 0.00 H new ATOM 0 HG3 MET A 17 -0.000 -3.606 9.023 1.00 0.00 H new ATOM 0 HE1 MET A 17 -0.855 -2.349 5.548 1.00 0.00 H new ATOM 0 HE2 MET A 17 -0.269 -1.512 7.005 1.00 0.00 H new ATOM 0 HE3 MET A 17 0.353 -3.129 6.597 1.00 0.00 H new ATOM 286 N GLY A 18 0.296 -8.321 7.932 1.00 0.00 N ATOM 287 CA GLY A 18 0.707 -9.530 7.240 1.00 0.00 C ATOM 288 C GLY A 18 0.564 -9.423 5.732 1.00 0.00 C ATOM 289 O GLY A 18 -0.377 -9.966 5.154 1.00 0.00 O ATOM 0 H GLY A 18 1.061 -7.774 8.326 1.00 0.00 H new ATOM 0 HA2 GLY A 18 1.746 -9.749 7.487 1.00 0.00 H new ATOM 0 HA3 GLY A 18 0.110 -10.369 7.598 1.00 0.00 H new ATOM 293 N LEU A 19 1.500 -8.722 5.094 1.00 0.00 N ATOM 294 CA LEU A 19 1.481 -8.553 3.639 1.00 0.00 C ATOM 295 C LEU A 19 2.857 -8.130 3.118 1.00 0.00 C ATOM 296 O LEU A 19 3.790 -7.932 3.897 1.00 0.00 O ATOM 297 CB LEU A 19 0.415 -7.534 3.224 1.00 0.00 C ATOM 298 CG LEU A 19 0.647 -6.110 3.723 1.00 0.00 C ATOM 299 CD1 LEU A 19 1.355 -5.284 2.657 1.00 0.00 C ATOM 300 CD2 LEU A 19 -0.670 -5.461 4.121 1.00 0.00 C ATOM 0 H LEU A 19 2.282 -8.261 5.560 1.00 0.00 H new ATOM 0 HA LEU A 19 1.229 -9.516 3.194 1.00 0.00 H new ATOM 0 HB2 LEU A 19 0.357 -7.516 2.136 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.553 -7.876 3.589 1.00 0.00 H new ATOM 0 HG LEU A 19 1.285 -6.152 4.606 1.00 0.00 H new ATOM 0 HD11 LEU A 19 1.514 -4.271 3.027 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.317 -5.740 2.423 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.742 -5.249 1.757 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.484 -4.447 4.474 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.335 -5.429 3.258 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.136 -6.042 4.917 1.00 0.00 H new ATOM 312 N SER A 20 2.973 -7.992 1.797 1.00 0.00 N ATOM 313 CA SER A 20 4.234 -7.593 1.173 1.00 0.00 C ATOM 314 C SER A 20 4.032 -6.439 0.191 1.00 0.00 C ATOM 315 O SER A 20 2.935 -6.247 -0.337 1.00 0.00 O ATOM 316 CB SER A 20 4.869 -8.783 0.453 1.00 0.00 C ATOM 317 OG SER A 20 5.409 -9.709 1.378 1.00 0.00 O ATOM 0 H SER A 20 2.210 -8.151 1.139 1.00 0.00 H new ATOM 0 HA SER A 20 4.901 -7.252 1.964 1.00 0.00 H new ATOM 0 HB2 SER A 20 4.122 -9.278 -0.167 1.00 0.00 H new ATOM 0 HB3 SER A 20 5.655 -8.431 -0.215 1.00 0.00 H new ATOM 0 HG SER A 20 5.808 -10.461 0.893 1.00 0.00 H new ATOM 323 N ILE A 21 5.100 -5.675 -0.050 1.00 0.00 N ATOM 324 CA ILE A 21 5.043 -4.538 -0.971 1.00 0.00 C ATOM 325 C ILE A 21 6.347 -4.376 -1.754 1.00 0.00 C ATOM 326 O ILE A 21 7.375 -4.951 -1.392 1.00 0.00 O ATOM 327 CB ILE A 21 4.733 -3.219 -0.230 1.00 0.00 C ATOM 328 CG1 ILE A 21 5.476 -3.157 1.109 1.00 0.00 C ATOM 329 CG2 ILE A 21 3.234 -3.075 -0.015 1.00 0.00 C ATOM 330 CD1 ILE A 21 6.169 -1.835 1.353 1.00 0.00 C ATOM 0 H ILE A 21 6.013 -5.823 0.379 1.00 0.00 H new ATOM 0 HA ILE A 21 4.234 -4.753 -1.670 1.00 0.00 H new ATOM 0 HB ILE A 21 5.079 -2.390 -0.847 1.00 0.00 H new ATOM 0 HG12 ILE A 21 4.768 -3.342 1.917 1.00 0.00 H new ATOM 0 HG13 ILE A 21 6.215 -3.957 1.143 1.00 0.00 H new ATOM 0 HG21 ILE A 21 3.030 -2.141 0.508 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.727 -3.069 -0.980 1.00 0.00 H new ATOM 0 HG23 ILE A 21 2.870 -3.912 0.581 1.00 0.00 H new ATOM 0 HD11 ILE A 21 6.674 -1.862 2.318 1.00 0.00 H new ATOM 0 HD12 ILE A 21 6.901 -1.657 0.565 1.00 0.00 H new ATOM 0 HD13 ILE A 21 5.432 -1.032 1.351 1.00 0.00 H new ATOM 342 N VAL A 22 6.296 -3.592 -2.834 1.00 0.00 N ATOM 343 CA VAL A 22 7.469 -3.359 -3.674 1.00 0.00 C ATOM 344 C VAL A 22 7.545 -1.905 -4.150 1.00 0.00 C ATOM 345 O VAL A 22 6.538 -1.314 -4.539 1.00 0.00 O ATOM 346 CB VAL A 22 7.466 -4.291 -4.904 1.00 0.00 C ATOM 347 CG1 VAL A 22 8.686 -4.044 -5.781 1.00 0.00 C ATOM 348 CG2 VAL A 22 7.405 -5.748 -4.471 1.00 0.00 C ATOM 0 H VAL A 22 5.454 -3.109 -3.146 1.00 0.00 H new ATOM 0 HA VAL A 22 8.342 -3.574 -3.058 1.00 0.00 H new ATOM 0 HB VAL A 22 6.577 -4.068 -5.493 1.00 0.00 H new ATOM 0 HG11 VAL A 22 8.658 -4.714 -6.640 1.00 0.00 H new ATOM 0 HG12 VAL A 22 8.682 -3.010 -6.127 1.00 0.00 H new ATOM 0 HG13 VAL A 22 9.592 -4.230 -5.205 1.00 0.00 H new ATOM 0 HG21 VAL A 22 7.404 -6.390 -5.352 1.00 0.00 H new ATOM 0 HG22 VAL A 22 8.273 -5.981 -3.854 1.00 0.00 H new ATOM 0 HG23 VAL A 22 6.495 -5.919 -3.896 1.00 0.00 H new ATOM 358 N ALA A 23 8.759 -1.351 -4.135 1.00 0.00 N ATOM 359 CA ALA A 23 8.995 0.019 -4.583 1.00 0.00 C ATOM 360 C ALA A 23 9.270 0.032 -6.084 1.00 0.00 C ATOM 361 O ALA A 23 10.402 -0.192 -6.519 1.00 0.00 O ATOM 362 CB ALA A 23 10.162 0.634 -3.817 1.00 0.00 C ATOM 0 H ALA A 23 9.598 -1.836 -3.815 1.00 0.00 H new ATOM 0 HA ALA A 23 8.105 0.617 -4.385 1.00 0.00 H new ATOM 0 HB1 ALA A 23 10.326 1.655 -4.162 1.00 0.00 H new ATOM 0 HB2 ALA A 23 9.933 0.643 -2.751 1.00 0.00 H new ATOM 0 HB3 ALA A 23 11.062 0.044 -3.990 1.00 0.00 H new ATOM 368 N ALA A 24 8.225 0.271 -6.877 1.00 0.00 N ATOM 369 CA ALA A 24 8.358 0.284 -8.332 1.00 0.00 C ATOM 370 C ALA A 24 8.611 1.688 -8.873 1.00 0.00 C ATOM 371 O ALA A 24 8.100 2.676 -8.341 1.00 0.00 O ATOM 372 CB ALA A 24 7.118 -0.317 -8.981 1.00 0.00 C ATOM 0 H ALA A 24 7.282 0.457 -6.537 1.00 0.00 H new ATOM 0 HA ALA A 24 9.227 -0.323 -8.585 1.00 0.00 H new ATOM 0 HB1 ALA A 24 7.231 -0.301 -10.065 1.00 0.00 H new ATOM 0 HB2 ALA A 24 6.994 -1.346 -8.644 1.00 0.00 H new ATOM 0 HB3 ALA A 24 6.241 0.266 -8.699 1.00 0.00 H new ATOM 378 N LYS A 25 9.399 1.756 -9.945 1.00 0.00 N ATOM 379 CA LYS A 25 9.734 3.022 -10.589 1.00 0.00 C ATOM 380 C LYS A 25 9.554 2.921 -12.105 1.00 0.00 C ATOM 381 O LYS A 25 9.175 1.868 -12.625 1.00 0.00 O ATOM 382 CB LYS A 25 11.175 3.417 -10.259 1.00 0.00 C ATOM 383 CG LYS A 25 11.305 4.827 -9.712 1.00 0.00 C ATOM 384 CD LYS A 25 12.683 5.068 -9.114 1.00 0.00 C ATOM 385 CE LYS A 25 12.794 6.458 -8.506 1.00 0.00 C ATOM 386 NZ LYS A 25 14.115 6.676 -7.851 1.00 0.00 N ATOM 0 H LYS A 25 9.820 0.940 -10.388 1.00 0.00 H new ATOM 0 HA LYS A 25 9.059 3.789 -10.210 1.00 0.00 H new ATOM 0 HB2 LYS A 25 11.578 2.714 -9.530 1.00 0.00 H new ATOM 0 HB3 LYS A 25 11.783 3.327 -11.159 1.00 0.00 H new ATOM 0 HG2 LYS A 25 11.123 5.546 -10.510 1.00 0.00 H new ATOM 0 HG3 LYS A 25 10.543 4.995 -8.951 1.00 0.00 H new ATOM 0 HD2 LYS A 25 12.884 4.318 -8.349 1.00 0.00 H new ATOM 0 HD3 LYS A 25 13.442 4.947 -9.887 1.00 0.00 H new ATOM 0 HE2 LYS A 25 12.647 7.207 -9.284 1.00 0.00 H new ATOM 0 HE3 LYS A 25 11.999 6.598 -7.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 14.149 7.635 -7.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 14.245 5.978 -7.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 14.873 6.568 -8.554 1.00 0.00 H new ATOM 400 N GLY A 26 9.832 4.017 -12.810 1.00 0.00 N ATOM 401 CA GLY A 26 9.700 4.027 -14.253 1.00 0.00 C ATOM 402 C GLY A 26 10.129 5.349 -14.846 1.00 0.00 C ATOM 403 O GLY A 26 11.083 5.968 -14.367 1.00 0.00 O ATOM 0 H GLY A 26 10.147 4.898 -12.404 1.00 0.00 H new ATOM 0 HA2 GLY A 26 10.303 3.225 -14.679 1.00 0.00 H new ATOM 0 HA3 GLY A 26 8.664 3.826 -14.525 1.00 0.00 H new ATOM 407 N ALA A 27 9.423 5.791 -15.879 1.00 0.00 N ATOM 408 CA ALA A 27 9.738 7.058 -16.519 1.00 0.00 C ATOM 409 C ALA A 27 8.723 8.127 -16.128 1.00 0.00 C ATOM 410 O ALA A 27 7.560 7.819 -15.854 1.00 0.00 O ATOM 411 CB ALA A 27 9.797 6.901 -18.032 1.00 0.00 C ATOM 0 H ALA A 27 8.633 5.293 -16.289 1.00 0.00 H new ATOM 0 HA ALA A 27 10.721 7.377 -16.172 1.00 0.00 H new ATOM 0 HB1 ALA A 27 10.034 7.862 -18.489 1.00 0.00 H new ATOM 0 HB2 ALA A 27 10.567 6.175 -18.293 1.00 0.00 H new ATOM 0 HB3 ALA A 27 8.832 6.553 -18.400 1.00 0.00 H new ATOM 417 N GLY A 28 9.173 9.382 -16.083 1.00 0.00 N ATOM 418 CA GLY A 28 8.293 10.474 -15.699 1.00 0.00 C ATOM 419 C GLY A 28 7.756 10.296 -14.289 1.00 0.00 C ATOM 420 O GLY A 28 6.635 10.707 -13.985 1.00 0.00 O ATOM 0 H GLY A 28 10.129 9.660 -16.305 1.00 0.00 H new ATOM 0 HA2 GLY A 28 8.834 11.418 -15.765 1.00 0.00 H new ATOM 0 HA3 GLY A 28 7.461 10.534 -16.400 1.00 0.00 H new ATOM 424 N GLN A 29 8.562 9.665 -13.432 1.00 0.00 N ATOM 425 CA GLN A 29 8.175 9.410 -12.053 1.00 0.00 C ATOM 426 C GLN A 29 9.260 9.882 -11.092 1.00 0.00 C ATOM 427 O GLN A 29 10.290 9.222 -10.934 1.00 0.00 O ATOM 428 CB GLN A 29 7.918 7.916 -11.848 1.00 0.00 C ATOM 429 CG GLN A 29 6.811 7.617 -10.850 1.00 0.00 C ATOM 430 CD GLN A 29 5.606 6.961 -11.495 1.00 0.00 C ATOM 431 OE1 GLN A 29 4.467 7.378 -11.277 1.00 0.00 O ATOM 432 NE2 GLN A 29 5.847 5.927 -12.294 1.00 0.00 N ATOM 0 H GLN A 29 9.491 9.322 -13.676 1.00 0.00 H new ATOM 0 HA GLN A 29 7.260 9.965 -11.846 1.00 0.00 H new ATOM 0 HB2 GLN A 29 7.662 7.466 -12.807 1.00 0.00 H new ATOM 0 HB3 GLN A 29 8.839 7.441 -11.509 1.00 0.00 H new ATOM 0 HG2 GLN A 29 7.199 6.965 -10.067 1.00 0.00 H new ATOM 0 HG3 GLN A 29 6.501 8.544 -10.368 1.00 0.00 H new ATOM 0 HE21 GLN A 29 6.805 5.614 -12.448 1.00 0.00 H new ATOM 0 HE22 GLN A 29 5.074 5.447 -12.754 1.00 0.00 H new ATOM 441 N ASP A 30 9.021 11.021 -10.445 1.00 0.00 N ATOM 442 CA ASP A 30 9.980 11.572 -9.489 1.00 0.00 C ATOM 443 C ASP A 30 9.697 11.072 -8.069 1.00 0.00 C ATOM 444 O ASP A 30 10.090 11.707 -7.088 1.00 0.00 O ATOM 445 CB ASP A 30 9.947 13.104 -9.529 1.00 0.00 C ATOM 446 CG ASP A 30 11.305 13.717 -9.248 1.00 0.00 C ATOM 447 OD1 ASP A 30 12.220 13.538 -10.078 1.00 0.00 O ATOM 448 OD2 ASP A 30 11.452 14.376 -8.196 1.00 0.00 O ATOM 0 H ASP A 30 8.175 11.579 -10.564 1.00 0.00 H new ATOM 0 HA ASP A 30 10.975 11.230 -9.774 1.00 0.00 H new ATOM 0 HB2 ASP A 30 9.599 13.432 -10.508 1.00 0.00 H new ATOM 0 HB3 ASP A 30 9.228 13.469 -8.796 1.00 0.00 H new ATOM 453 N LYS A 31 9.016 9.926 -7.968 1.00 0.00 N ATOM 454 CA LYS A 31 8.680 9.335 -6.678 1.00 0.00 C ATOM 455 C LYS A 31 8.828 7.811 -6.730 1.00 0.00 C ATOM 456 O LYS A 31 9.453 7.272 -7.647 1.00 0.00 O ATOM 457 CB LYS A 31 7.245 9.713 -6.283 1.00 0.00 C ATOM 458 CG LYS A 31 6.905 11.181 -6.503 1.00 0.00 C ATOM 459 CD LYS A 31 7.487 12.064 -5.407 1.00 0.00 C ATOM 460 CE LYS A 31 6.773 13.407 -5.328 1.00 0.00 C ATOM 461 NZ LYS A 31 7.661 14.539 -5.719 1.00 0.00 N ATOM 0 H LYS A 31 8.687 9.390 -8.771 1.00 0.00 H new ATOM 0 HA LYS A 31 9.369 9.724 -5.928 1.00 0.00 H new ATOM 0 HB2 LYS A 31 6.549 9.100 -6.856 1.00 0.00 H new ATOM 0 HB3 LYS A 31 7.093 9.470 -5.231 1.00 0.00 H new ATOM 0 HG2 LYS A 31 7.289 11.502 -7.471 1.00 0.00 H new ATOM 0 HG3 LYS A 31 5.822 11.303 -6.533 1.00 0.00 H new ATOM 0 HD2 LYS A 31 7.408 11.553 -4.448 1.00 0.00 H new ATOM 0 HD3 LYS A 31 8.548 12.226 -5.595 1.00 0.00 H new ATOM 0 HE2 LYS A 31 5.899 13.391 -5.979 1.00 0.00 H new ATOM 0 HE3 LYS A 31 6.411 13.565 -4.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 7.134 15.433 -5.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 8.483 14.572 -5.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 7.986 14.403 -6.697 1.00 0.00 H new ATOM 475 N LEU A 32 8.250 7.120 -5.745 1.00 0.00 N ATOM 476 CA LEU A 32 8.315 5.662 -5.684 1.00 0.00 C ATOM 477 C LEU A 32 6.980 5.087 -5.218 1.00 0.00 C ATOM 478 O LEU A 32 6.543 5.345 -4.094 1.00 0.00 O ATOM 479 CB LEU A 32 9.440 5.216 -4.743 1.00 0.00 C ATOM 480 CG LEU A 32 10.202 3.961 -5.182 1.00 0.00 C ATOM 481 CD1 LEU A 32 10.722 4.118 -6.605 1.00 0.00 C ATOM 482 CD2 LEU A 32 11.348 3.672 -4.222 1.00 0.00 C ATOM 0 H LEU A 32 7.731 7.549 -4.979 1.00 0.00 H new ATOM 0 HA LEU A 32 8.526 5.285 -6.685 1.00 0.00 H new ATOM 0 HB2 LEU A 32 10.151 6.035 -4.640 1.00 0.00 H new ATOM 0 HB3 LEU A 32 9.015 5.036 -3.755 1.00 0.00 H new ATOM 0 HG LEU A 32 9.513 3.116 -5.162 1.00 0.00 H new ATOM 0 HD11 LEU A 32 11.260 3.216 -6.897 1.00 0.00 H new ATOM 0 HD12 LEU A 32 9.884 4.276 -7.283 1.00 0.00 H new ATOM 0 HD13 LEU A 32 11.395 4.974 -6.654 1.00 0.00 H new ATOM 0 HD21 LEU A 32 11.879 2.778 -4.548 1.00 0.00 H new ATOM 0 HD22 LEU A 32 12.035 4.518 -4.211 1.00 0.00 H new ATOM 0 HD23 LEU A 32 10.951 3.513 -3.219 1.00 0.00 H new ATOM 494 N GLY A 33 6.335 4.312 -6.091 1.00 0.00 N ATOM 495 CA GLY A 33 5.055 3.714 -5.755 1.00 0.00 C ATOM 496 C GLY A 33 5.205 2.440 -4.943 1.00 0.00 C ATOM 497 O GLY A 33 6.011 1.574 -5.284 1.00 0.00 O ATOM 0 H GLY A 33 6.678 4.089 -7.025 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.459 4.432 -5.192 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.508 3.495 -6.672 1.00 0.00 H new ATOM 501 N ILE A 34 4.425 2.328 -3.868 1.00 0.00 N ATOM 502 CA ILE A 34 4.473 1.152 -3.004 1.00 0.00 C ATOM 503 C ILE A 34 3.438 0.118 -3.449 1.00 0.00 C ATOM 504 O ILE A 34 2.299 0.118 -2.982 1.00 0.00 O ATOM 505 CB ILE A 34 4.239 1.529 -1.519 1.00 0.00 C ATOM 506 CG1 ILE A 34 5.407 2.367 -0.984 1.00 0.00 C ATOM 507 CG2 ILE A 34 4.059 0.280 -0.664 1.00 0.00 C ATOM 508 CD1 ILE A 34 5.563 3.708 -1.667 1.00 0.00 C ATOM 0 H ILE A 34 3.753 3.038 -3.576 1.00 0.00 H new ATOM 0 HA ILE A 34 5.470 0.720 -3.091 1.00 0.00 H new ATOM 0 HB ILE A 34 3.326 2.122 -1.463 1.00 0.00 H new ATOM 0 HG12 ILE A 34 5.266 2.529 0.085 1.00 0.00 H new ATOM 0 HG13 ILE A 34 6.331 1.801 -1.101 1.00 0.00 H new ATOM 0 HG21 ILE A 34 3.896 0.570 0.374 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.198 -0.285 -1.022 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.953 -0.339 -0.732 1.00 0.00 H new ATOM 0 HD11 ILE A 34 6.409 4.241 -1.234 1.00 0.00 H new ATOM 0 HD12 ILE A 34 5.737 3.556 -2.732 1.00 0.00 H new ATOM 0 HD13 ILE A 34 4.655 4.295 -1.528 1.00 0.00 H new ATOM 520 N TYR A 35 3.845 -0.757 -4.360 1.00 0.00 N ATOM 521 CA TYR A 35 2.962 -1.800 -4.879 1.00 0.00 C ATOM 522 C TYR A 35 2.917 -3.000 -3.930 1.00 0.00 C ATOM 523 O TYR A 35 3.667 -3.052 -2.959 1.00 0.00 O ATOM 524 CB TYR A 35 3.433 -2.243 -6.266 1.00 0.00 C ATOM 525 CG TYR A 35 3.352 -1.152 -7.312 1.00 0.00 C ATOM 526 CD1 TYR A 35 4.279 -0.116 -7.339 1.00 0.00 C ATOM 527 CD2 TYR A 35 2.347 -1.157 -8.270 1.00 0.00 C ATOM 528 CE1 TYR A 35 4.210 0.878 -8.295 1.00 0.00 C ATOM 529 CE2 TYR A 35 2.272 -0.166 -9.230 1.00 0.00 C ATOM 530 CZ TYR A 35 3.203 0.850 -9.236 1.00 0.00 C ATOM 531 OH TYR A 35 3.132 1.837 -10.191 1.00 0.00 O ATOM 0 H TYR A 35 4.784 -0.767 -4.758 1.00 0.00 H new ATOM 0 HA TYR A 35 1.955 -1.389 -4.957 1.00 0.00 H new ATOM 0 HB2 TYR A 35 4.463 -2.592 -6.196 1.00 0.00 H new ATOM 0 HB3 TYR A 35 2.831 -3.091 -6.591 1.00 0.00 H new ATOM 0 HD1 TYR A 35 5.066 -0.088 -6.600 1.00 0.00 H new ATOM 0 HD2 TYR A 35 1.612 -1.948 -8.265 1.00 0.00 H new ATOM 0 HE1 TYR A 35 4.941 1.673 -8.305 1.00 0.00 H new ATOM 0 HE2 TYR A 35 1.488 -0.188 -9.972 1.00 0.00 H new ATOM 0 HH TYR A 35 2.365 1.670 -10.778 1.00 0.00 H new ATOM 541 N VAL A 36 2.036 -3.961 -4.217 1.00 0.00 N ATOM 542 CA VAL A 36 1.896 -5.159 -3.384 1.00 0.00 C ATOM 543 C VAL A 36 2.565 -6.369 -4.033 1.00 0.00 C ATOM 544 O VAL A 36 2.414 -6.604 -5.233 1.00 0.00 O ATOM 545 CB VAL A 36 0.412 -5.498 -3.119 1.00 0.00 C ATOM 546 CG1 VAL A 36 0.285 -6.652 -2.132 1.00 0.00 C ATOM 547 CG2 VAL A 36 -0.342 -4.277 -2.613 1.00 0.00 C ATOM 0 H VAL A 36 1.408 -3.933 -5.020 1.00 0.00 H new ATOM 0 HA VAL A 36 2.388 -4.935 -2.437 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.034 -5.807 -4.064 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.769 -6.871 -1.962 1.00 0.00 H new ATOM 0 HG12 VAL A 36 0.778 -7.535 -2.539 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.755 -6.377 -1.188 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.384 -4.541 -2.434 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.109 -3.930 -1.683 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.292 -3.484 -3.359 1.00 0.00 H new ATOM 557 N LYS A 37 3.291 -7.138 -3.224 1.00 0.00 N ATOM 558 CA LYS A 37 3.975 -8.335 -3.706 1.00 0.00 C ATOM 559 C LYS A 37 3.156 -9.589 -3.400 1.00 0.00 C ATOM 560 O LYS A 37 3.021 -10.469 -4.251 1.00 0.00 O ATOM 561 CB LYS A 37 5.362 -8.453 -3.070 1.00 0.00 C ATOM 562 CG LYS A 37 6.308 -9.355 -3.848 1.00 0.00 C ATOM 563 CD LYS A 37 7.740 -8.846 -3.797 1.00 0.00 C ATOM 564 CE LYS A 37 8.740 -9.991 -3.698 1.00 0.00 C ATOM 565 NZ LYS A 37 8.752 -10.841 -4.925 1.00 0.00 N ATOM 0 H LYS A 37 3.421 -6.952 -2.229 1.00 0.00 H new ATOM 0 HA LYS A 37 4.087 -8.246 -4.787 1.00 0.00 H new ATOM 0 HB2 LYS A 37 5.803 -7.459 -2.990 1.00 0.00 H new ATOM 0 HB3 LYS A 37 5.257 -8.838 -2.056 1.00 0.00 H new ATOM 0 HG2 LYS A 37 6.266 -10.365 -3.440 1.00 0.00 H new ATOM 0 HG3 LYS A 37 5.981 -9.417 -4.886 1.00 0.00 H new ATOM 0 HD2 LYS A 37 7.949 -8.256 -4.689 1.00 0.00 H new ATOM 0 HD3 LYS A 37 7.860 -8.182 -2.941 1.00 0.00 H new ATOM 0 HE2 LYS A 37 9.738 -9.585 -3.530 1.00 0.00 H new ATOM 0 HE3 LYS A 37 8.497 -10.609 -2.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 9.447 -11.606 -4.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 7.808 -11.251 -5.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 9.010 -10.259 -5.748 1.00 0.00 H new ATOM 579 N SER A 38 2.616 -9.666 -2.179 1.00 0.00 N ATOM 580 CA SER A 38 1.813 -10.813 -1.758 1.00 0.00 C ATOM 581 C SER A 38 1.260 -10.607 -0.347 1.00 0.00 C ATOM 582 O SER A 38 2.003 -10.669 0.635 1.00 0.00 O ATOM 583 CB SER A 38 2.642 -12.102 -1.810 1.00 0.00 C ATOM 584 OG SER A 38 2.418 -12.807 -3.020 1.00 0.00 O ATOM 0 H SER A 38 2.722 -8.945 -1.466 1.00 0.00 H new ATOM 0 HA SER A 38 0.975 -10.903 -2.449 1.00 0.00 H new ATOM 0 HB2 SER A 38 3.701 -11.861 -1.717 1.00 0.00 H new ATOM 0 HB3 SER A 38 2.385 -12.738 -0.963 1.00 0.00 H new ATOM 0 HG SER A 38 2.575 -12.209 -3.781 1.00 0.00 H new ATOM 590 N VAL A 39 -0.047 -10.365 -0.257 1.00 0.00 N ATOM 591 CA VAL A 39 -0.704 -10.157 1.031 1.00 0.00 C ATOM 592 C VAL A 39 -1.018 -11.493 1.705 1.00 0.00 C ATOM 593 O VAL A 39 -1.468 -12.438 1.053 1.00 0.00 O ATOM 594 CB VAL A 39 -2.003 -9.331 0.875 1.00 0.00 C ATOM 595 CG1 VAL A 39 -3.031 -10.081 0.037 1.00 0.00 C ATOM 596 CG2 VAL A 39 -2.580 -8.965 2.238 1.00 0.00 C ATOM 0 H VAL A 39 -0.671 -10.308 -1.062 1.00 0.00 H new ATOM 0 HA VAL A 39 -0.013 -9.597 1.660 1.00 0.00 H new ATOM 0 HB VAL A 39 -1.752 -8.408 0.353 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -3.934 -9.478 -0.057 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -2.620 -10.276 -0.954 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -3.275 -11.027 0.521 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -3.493 -8.385 2.103 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.808 -9.875 2.793 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -1.853 -8.373 2.794 1.00 0.00 H new ATOM 606 N VAL A 40 -0.773 -11.567 3.012 1.00 0.00 N ATOM 607 CA VAL A 40 -1.026 -12.791 3.771 1.00 0.00 C ATOM 608 C VAL A 40 -2.514 -12.948 4.079 1.00 0.00 C ATOM 609 O VAL A 40 -3.166 -12.008 4.538 1.00 0.00 O ATOM 610 CB VAL A 40 -0.233 -12.819 5.097 1.00 0.00 C ATOM 611 CG1 VAL A 40 -0.365 -14.173 5.777 1.00 0.00 C ATOM 612 CG2 VAL A 40 1.233 -12.481 4.861 1.00 0.00 C ATOM 0 H VAL A 40 -0.401 -10.796 3.567 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.693 -13.619 3.146 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.656 -12.061 5.757 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.201 -14.169 6.708 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -1.415 -14.371 5.992 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.024 -14.950 5.119 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.770 -12.507 5.809 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.669 -13.209 4.177 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.311 -11.484 4.427 1.00 0.00 H new ATOM 622 N LYS A 41 -3.041 -14.146 3.829 1.00 0.00 N ATOM 623 CA LYS A 41 -4.450 -14.437 4.083 1.00 0.00 C ATOM 624 C LYS A 41 -4.752 -14.407 5.578 1.00 0.00 C ATOM 625 O LYS A 41 -3.876 -14.679 6.403 1.00 0.00 O ATOM 626 CB LYS A 41 -4.826 -15.804 3.508 1.00 0.00 C ATOM 627 CG LYS A 41 -5.797 -15.730 2.341 1.00 0.00 C ATOM 628 CD LYS A 41 -5.070 -15.800 1.006 1.00 0.00 C ATOM 629 CE LYS A 41 -5.114 -17.202 0.411 1.00 0.00 C ATOM 630 NZ LYS A 41 -4.700 -18.245 1.394 1.00 0.00 N ATOM 0 H LYS A 41 -2.512 -14.931 3.450 1.00 0.00 H new ATOM 0 HA LYS A 41 -5.044 -13.667 3.592 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -3.919 -16.313 3.183 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -5.267 -16.412 4.298 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -6.513 -16.549 2.410 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -6.366 -14.802 2.398 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -5.522 -15.095 0.309 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -4.032 -15.495 1.141 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -6.124 -17.415 0.062 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -4.460 -17.246 -0.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -4.581 -19.155 0.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -3.799 -17.969 1.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -5.430 -18.339 2.128 1.00 0.00 H new ATOM 644 N GLY A 42 -5.993 -14.072 5.922 1.00 0.00 N ATOM 645 CA GLY A 42 -6.388 -14.007 7.319 1.00 0.00 C ATOM 646 C GLY A 42 -6.356 -12.591 7.872 1.00 0.00 C ATOM 647 O GLY A 42 -7.118 -12.261 8.781 1.00 0.00 O ATOM 0 H GLY A 42 -6.733 -13.844 5.258 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.394 -14.412 7.427 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -5.725 -14.639 7.910 1.00 0.00 H new ATOM 651 N GLY A 43 -5.479 -11.751 7.318 1.00 0.00 N ATOM 652 CA GLY A 43 -5.380 -10.375 7.770 1.00 0.00 C ATOM 653 C GLY A 43 -6.609 -9.558 7.403 1.00 0.00 C ATOM 654 O GLY A 43 -7.339 -9.913 6.476 1.00 0.00 O ATOM 0 H GLY A 43 -4.838 -12.002 6.565 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -5.245 -10.359 8.852 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -4.495 -9.913 7.332 1.00 0.00 H new ATOM 658 N ALA A 44 -6.838 -8.466 8.133 1.00 0.00 N ATOM 659 CA ALA A 44 -7.989 -7.590 7.889 1.00 0.00 C ATOM 660 C ALA A 44 -8.118 -7.213 6.413 1.00 0.00 C ATOM 661 O ALA A 44 -9.224 -7.165 5.876 1.00 0.00 O ATOM 662 CB ALA A 44 -7.888 -6.330 8.736 1.00 0.00 C ATOM 0 H ALA A 44 -6.240 -8.164 8.902 1.00 0.00 H new ATOM 0 HA ALA A 44 -8.883 -8.147 8.172 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -8.750 -5.691 8.542 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.867 -6.602 9.791 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -6.974 -5.793 8.482 1.00 0.00 H new ATOM 668 N ALA A 45 -6.984 -6.942 5.764 1.00 0.00 N ATOM 669 CA ALA A 45 -6.977 -6.567 4.349 1.00 0.00 C ATOM 670 C ALA A 45 -7.650 -7.634 3.486 1.00 0.00 C ATOM 671 O ALA A 45 -8.337 -7.314 2.514 1.00 0.00 O ATOM 672 CB ALA A 45 -5.549 -6.321 3.873 1.00 0.00 C ATOM 0 H ALA A 45 -6.060 -6.975 6.195 1.00 0.00 H new ATOM 0 HA ALA A 45 -7.548 -5.645 4.244 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -5.560 -6.043 2.819 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -5.105 -5.515 4.457 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -4.961 -7.229 4.003 1.00 0.00 H new ATOM 678 N ASP A 46 -7.451 -8.900 3.848 1.00 0.00 N ATOM 679 CA ASP A 46 -8.039 -10.013 3.109 1.00 0.00 C ATOM 680 C ASP A 46 -9.455 -10.316 3.598 1.00 0.00 C ATOM 681 O ASP A 46 -10.344 -10.613 2.800 1.00 0.00 O ATOM 682 CB ASP A 46 -7.167 -11.267 3.246 1.00 0.00 C ATOM 683 CG ASP A 46 -7.079 -12.060 1.956 1.00 0.00 C ATOM 684 OD1 ASP A 46 -8.140 -12.375 1.376 1.00 0.00 O ATOM 685 OD2 ASP A 46 -5.948 -12.370 1.526 1.00 0.00 O ATOM 0 H ASP A 46 -6.886 -9.180 4.650 1.00 0.00 H new ATOM 0 HA ASP A 46 -8.091 -9.722 2.060 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -6.164 -10.975 3.558 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -7.573 -11.903 4.032 1.00 0.00 H new ATOM 690 N VAL A 47 -9.655 -10.248 4.913 1.00 0.00 N ATOM 691 CA VAL A 47 -10.961 -10.525 5.508 1.00 0.00 C ATOM 692 C VAL A 47 -11.996 -9.465 5.129 1.00 0.00 C ATOM 693 O VAL A 47 -13.165 -9.787 4.908 1.00 0.00 O ATOM 694 CB VAL A 47 -10.875 -10.618 7.045 1.00 0.00 C ATOM 695 CG1 VAL A 47 -12.200 -11.092 7.624 1.00 0.00 C ATOM 696 CG2 VAL A 47 -9.739 -11.541 7.471 1.00 0.00 C ATOM 0 H VAL A 47 -8.929 -10.003 5.587 1.00 0.00 H new ATOM 0 HA VAL A 47 -11.280 -11.488 5.108 1.00 0.00 H new ATOM 0 HB VAL A 47 -10.664 -9.623 7.436 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -12.122 -11.152 8.710 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -12.987 -10.388 7.355 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -12.441 -12.076 7.223 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -9.699 -11.590 8.559 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -9.911 -12.539 7.069 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -8.794 -11.154 7.090 1.00 0.00 H new ATOM 706 N ASP A 48 -11.568 -8.204 5.059 1.00 0.00 N ATOM 707 CA ASP A 48 -12.471 -7.109 4.708 1.00 0.00 C ATOM 708 C ASP A 48 -12.911 -7.202 3.247 1.00 0.00 C ATOM 709 O ASP A 48 -14.088 -7.014 2.935 1.00 0.00 O ATOM 710 CB ASP A 48 -11.801 -5.755 4.967 1.00 0.00 C ATOM 711 CG ASP A 48 -11.941 -5.299 6.406 1.00 0.00 C ATOM 712 OD1 ASP A 48 -13.088 -5.098 6.859 1.00 0.00 O ATOM 713 OD2 ASP A 48 -10.900 -5.140 7.080 1.00 0.00 O ATOM 0 H ASP A 48 -10.606 -7.917 5.240 1.00 0.00 H new ATOM 0 HA ASP A 48 -13.356 -7.194 5.339 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -10.743 -5.823 4.713 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -12.239 -5.005 4.308 1.00 0.00 H new ATOM 718 N GLY A 49 -11.961 -7.494 2.356 1.00 0.00 N ATOM 719 CA GLY A 49 -12.274 -7.609 0.942 1.00 0.00 C ATOM 720 C GLY A 49 -12.351 -6.262 0.246 1.00 0.00 C ATOM 721 O GLY A 49 -13.442 -5.778 -0.060 1.00 0.00 O ATOM 0 H GLY A 49 -10.981 -7.652 2.591 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -11.515 -8.222 0.455 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -13.226 -8.128 0.826 1.00 0.00 H new ATOM 725 N ARG A 50 -11.191 -5.662 -0.012 1.00 0.00 N ATOM 726 CA ARG A 50 -11.127 -4.365 -0.687 1.00 0.00 C ATOM 727 C ARG A 50 -10.049 -4.369 -1.770 1.00 0.00 C ATOM 728 O ARG A 50 -10.310 -3.997 -2.913 1.00 0.00 O ATOM 729 CB ARG A 50 -10.856 -3.238 0.319 1.00 0.00 C ATOM 730 CG ARG A 50 -12.108 -2.700 1.001 1.00 0.00 C ATOM 731 CD ARG A 50 -13.126 -2.186 -0.009 1.00 0.00 C ATOM 732 NE ARG A 50 -13.615 -0.847 0.328 1.00 0.00 N ATOM 733 CZ ARG A 50 -14.374 -0.570 1.393 1.00 0.00 C ATOM 734 NH1 ARG A 50 -14.743 -1.538 2.228 1.00 0.00 N ATOM 735 NH2 ARG A 50 -14.764 0.681 1.623 1.00 0.00 N ATOM 0 H ARG A 50 -10.282 -6.052 0.236 1.00 0.00 H new ATOM 0 HA ARG A 50 -12.094 -4.187 -1.158 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -10.168 -3.604 1.082 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -10.355 -2.418 -0.196 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -12.560 -3.487 1.604 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -11.833 -1.895 1.682 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -12.673 -2.166 -1.000 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -13.968 -2.877 -0.057 1.00 0.00 H new ATOM 0 HE ARG A 50 -13.360 -0.076 -0.290 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -14.447 -2.499 2.058 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -15.322 -1.319 3.039 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -14.484 1.428 0.987 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -15.343 0.893 2.435 1.00 0.00 H new ATOM 749 N LEU A 51 -8.838 -4.794 -1.403 1.00 0.00 N ATOM 750 CA LEU A 51 -7.722 -4.846 -2.347 1.00 0.00 C ATOM 751 C LEU A 51 -7.130 -6.255 -2.423 1.00 0.00 C ATOM 752 O LEU A 51 -7.567 -7.161 -1.710 1.00 0.00 O ATOM 753 CB LEU A 51 -6.639 -3.837 -1.947 1.00 0.00 C ATOM 754 CG LEU A 51 -5.979 -4.090 -0.588 1.00 0.00 C ATOM 755 CD1 LEU A 51 -4.653 -4.819 -0.758 1.00 0.00 C ATOM 756 CD2 LEU A 51 -5.776 -2.779 0.157 1.00 0.00 C ATOM 0 H LEU A 51 -8.606 -5.106 -0.460 1.00 0.00 H new ATOM 0 HA LEU A 51 -8.103 -4.584 -3.334 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -5.865 -3.837 -2.714 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -7.080 -2.840 -1.939 1.00 0.00 H new ATOM 0 HG LEU A 51 -6.642 -4.724 0.001 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -4.203 -4.988 0.220 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -4.825 -5.777 -1.249 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.981 -4.215 -1.367 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -5.306 -2.977 1.120 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -5.135 -2.122 -0.431 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -6.741 -2.298 0.316 1.00 0.00 H new ATOM 768 N ALA A 52 -6.133 -6.429 -3.296 1.00 0.00 N ATOM 769 CA ALA A 52 -5.476 -7.723 -3.475 1.00 0.00 C ATOM 770 C ALA A 52 -4.011 -7.554 -3.883 1.00 0.00 C ATOM 771 O ALA A 52 -3.492 -6.436 -3.919 1.00 0.00 O ATOM 772 CB ALA A 52 -6.226 -8.555 -4.509 1.00 0.00 C ATOM 0 H ALA A 52 -5.764 -5.687 -3.890 1.00 0.00 H new ATOM 0 HA ALA A 52 -5.495 -8.246 -2.519 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -5.727 -9.516 -4.634 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -7.250 -8.718 -4.172 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -6.238 -8.026 -5.462 1.00 0.00 H new ATOM 778 N ALA A 53 -3.350 -8.674 -4.187 1.00 0.00 N ATOM 779 CA ALA A 53 -1.945 -8.653 -4.592 1.00 0.00 C ATOM 780 C ALA A 53 -1.774 -8.035 -5.978 1.00 0.00 C ATOM 781 O ALA A 53 -2.683 -8.089 -6.808 1.00 0.00 O ATOM 782 CB ALA A 53 -1.363 -10.057 -4.564 1.00 0.00 C ATOM 0 H ALA A 53 -3.766 -9.605 -4.160 1.00 0.00 H new ATOM 0 HA ALA A 53 -1.402 -8.032 -3.879 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -0.317 -10.023 -4.868 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -1.434 -10.460 -3.554 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -1.920 -10.695 -5.250 1.00 0.00 H new ATOM 788 N GLY A 54 -0.604 -7.441 -6.220 1.00 0.00 N ATOM 789 CA GLY A 54 -0.341 -6.812 -7.504 1.00 0.00 C ATOM 790 C GLY A 54 -1.035 -5.467 -7.642 1.00 0.00 C ATOM 791 O GLY A 54 -1.331 -5.028 -8.754 1.00 0.00 O ATOM 0 H GLY A 54 0.163 -7.385 -5.550 1.00 0.00 H new ATOM 0 HA2 GLY A 54 0.734 -6.678 -7.627 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -0.673 -7.473 -8.304 1.00 0.00 H new ATOM 795 N ASP A 55 -1.295 -4.813 -6.509 1.00 0.00 N ATOM 796 CA ASP A 55 -1.960 -3.515 -6.504 1.00 0.00 C ATOM 797 C ASP A 55 -0.971 -2.401 -6.165 1.00 0.00 C ATOM 798 O ASP A 55 0.153 -2.668 -5.742 1.00 0.00 O ATOM 799 CB ASP A 55 -3.108 -3.516 -5.491 1.00 0.00 C ATOM 800 CG ASP A 55 -4.366 -4.175 -6.026 1.00 0.00 C ATOM 801 OD1 ASP A 55 -4.276 -5.324 -6.507 1.00 0.00 O ATOM 802 OD2 ASP A 55 -5.444 -3.544 -5.954 1.00 0.00 O ATOM 0 H ASP A 55 -1.053 -5.164 -5.582 1.00 0.00 H new ATOM 0 HA ASP A 55 -2.360 -3.332 -7.501 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -2.788 -4.035 -4.587 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -3.335 -2.489 -5.205 1.00 0.00 H new ATOM 807 N GLN A 56 -1.403 -1.153 -6.348 1.00 0.00 N ATOM 808 CA GLN A 56 -0.562 0.007 -6.052 1.00 0.00 C ATOM 809 C GLN A 56 -0.936 0.611 -4.697 1.00 0.00 C ATOM 810 O GLN A 56 -1.982 0.287 -4.133 1.00 0.00 O ATOM 811 CB GLN A 56 -0.710 1.062 -7.155 1.00 0.00 C ATOM 812 CG GLN A 56 0.545 1.894 -7.385 1.00 0.00 C ATOM 813 CD GLN A 56 0.320 3.384 -7.187 1.00 0.00 C ATOM 814 OE1 GLN A 56 -0.806 3.875 -7.282 1.00 0.00 O ATOM 815 NE2 GLN A 56 1.397 4.113 -6.916 1.00 0.00 N ATOM 0 H GLN A 56 -2.331 -0.919 -6.700 1.00 0.00 H new ATOM 0 HA GLN A 56 0.476 -0.322 -6.011 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -0.980 0.564 -8.086 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -1.534 1.728 -6.899 1.00 0.00 H new ATOM 0 HG2 GLN A 56 1.326 1.557 -6.704 1.00 0.00 H new ATOM 0 HG3 GLN A 56 0.908 1.719 -8.398 1.00 0.00 H new ATOM 0 HE21 GLN A 56 2.311 3.666 -6.846 1.00 0.00 H new ATOM 0 HE22 GLN A 56 1.310 5.120 -6.778 1.00 0.00 H new ATOM 824 N LEU A 57 -0.077 1.492 -4.180 1.00 0.00 N ATOM 825 CA LEU A 57 -0.322 2.142 -2.893 1.00 0.00 C ATOM 826 C LEU A 57 0.429 3.466 -2.799 1.00 0.00 C ATOM 827 O LEU A 57 1.627 3.531 -3.083 1.00 0.00 O ATOM 828 CB LEU A 57 0.096 1.227 -1.742 1.00 0.00 C ATOM 829 CG LEU A 57 -0.743 1.360 -0.470 1.00 0.00 C ATOM 830 CD1 LEU A 57 -1.568 0.103 -0.242 1.00 0.00 C ATOM 831 CD2 LEU A 57 0.151 1.647 0.729 1.00 0.00 C ATOM 0 H LEU A 57 0.793 1.771 -4.633 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.391 2.342 -2.818 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.048 0.193 -2.084 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.138 1.432 -1.495 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.429 2.198 -0.592 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.159 0.215 0.667 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -2.234 -0.054 -1.090 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.903 -0.755 -0.139 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.462 1.739 1.626 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.862 0.830 0.857 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.694 2.578 0.564 1.00 0.00 H new ATOM 843 N LEU A 58 -0.284 4.518 -2.398 1.00 0.00 N ATOM 844 CA LEU A 58 0.317 5.845 -2.266 1.00 0.00 C ATOM 845 C LEU A 58 -0.015 6.490 -0.918 1.00 0.00 C ATOM 846 O LEU A 58 0.864 7.064 -0.273 1.00 0.00 O ATOM 847 CB LEU A 58 -0.134 6.764 -3.409 1.00 0.00 C ATOM 848 CG LEU A 58 -1.595 6.622 -3.841 1.00 0.00 C ATOM 849 CD1 LEU A 58 -2.169 7.979 -4.214 1.00 0.00 C ATOM 850 CD2 LEU A 58 -1.717 5.652 -5.007 1.00 0.00 C ATOM 0 H LEU A 58 -1.275 4.478 -2.160 1.00 0.00 H new ATOM 0 HA LEU A 58 1.398 5.712 -2.319 1.00 0.00 H new ATOM 0 HB2 LEU A 58 0.037 7.798 -3.108 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.501 6.575 -4.274 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.166 6.222 -3.003 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.209 7.863 -4.519 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.116 8.646 -3.353 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.594 8.403 -5.037 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.763 5.565 -5.300 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.134 6.022 -5.850 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -1.341 4.674 -4.707 1.00 0.00 H new ATOM 862 N SER A 59 -1.281 6.406 -0.498 1.00 0.00 N ATOM 863 CA SER A 59 -1.703 6.997 0.770 1.00 0.00 C ATOM 864 C SER A 59 -1.695 5.970 1.898 1.00 0.00 C ATOM 865 O SER A 59 -2.033 4.800 1.694 1.00 0.00 O ATOM 866 CB SER A 59 -3.098 7.617 0.640 1.00 0.00 C ATOM 867 OG SER A 59 -3.454 8.328 1.815 1.00 0.00 O ATOM 0 H SER A 59 -2.025 5.937 -1.015 1.00 0.00 H new ATOM 0 HA SER A 59 -0.986 7.780 1.018 1.00 0.00 H new ATOM 0 HB2 SER A 59 -3.121 8.290 -0.217 1.00 0.00 H new ATOM 0 HB3 SER A 59 -3.831 6.833 0.450 1.00 0.00 H new ATOM 0 HG SER A 59 -2.672 8.811 2.155 1.00 0.00 H new ATOM 873 N VAL A 60 -1.312 6.425 3.091 1.00 0.00 N ATOM 874 CA VAL A 60 -1.258 5.565 4.268 1.00 0.00 C ATOM 875 C VAL A 60 -1.657 6.337 5.522 1.00 0.00 C ATOM 876 O VAL A 60 -1.035 7.347 5.862 1.00 0.00 O ATOM 877 CB VAL A 60 0.149 4.968 4.477 1.00 0.00 C ATOM 878 CG1 VAL A 60 0.143 3.979 5.635 1.00 0.00 C ATOM 879 CG2 VAL A 60 0.646 4.306 3.199 1.00 0.00 C ATOM 0 H VAL A 60 -1.033 7.391 3.266 1.00 0.00 H new ATOM 0 HA VAL A 60 -1.962 4.751 4.095 1.00 0.00 H new ATOM 0 HB VAL A 60 0.834 5.778 4.726 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.144 3.568 5.768 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.164 4.490 6.548 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -0.556 3.171 5.419 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.640 3.891 3.367 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.038 3.506 2.914 1.00 0.00 H new ATOM 0 HG23 VAL A 60 0.692 5.046 2.400 1.00 0.00 H new ATOM 889 N ASP A 61 -2.695 5.853 6.204 1.00 0.00 N ATOM 890 CA ASP A 61 -3.187 6.490 7.426 1.00 0.00 C ATOM 891 C ASP A 61 -3.546 7.960 7.181 1.00 0.00 C ATOM 892 O ASP A 61 -3.355 8.810 8.053 1.00 0.00 O ATOM 893 CB ASP A 61 -2.137 6.378 8.539 1.00 0.00 C ATOM 894 CG ASP A 61 -2.754 6.083 9.892 1.00 0.00 C ATOM 895 OD1 ASP A 61 -3.381 5.013 10.038 1.00 0.00 O ATOM 896 OD2 ASP A 61 -2.609 6.921 10.807 1.00 0.00 O ATOM 0 H ASP A 61 -3.213 5.018 5.930 1.00 0.00 H new ATOM 0 HA ASP A 61 -4.094 5.971 7.737 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -1.428 5.589 8.287 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -1.572 7.308 8.596 1.00 0.00 H new ATOM 901 N GLY A 62 -4.063 8.252 5.986 1.00 0.00 N ATOM 902 CA GLY A 62 -4.434 9.616 5.647 1.00 0.00 C ATOM 903 C GLY A 62 -3.233 10.491 5.316 1.00 0.00 C ATOM 904 O GLY A 62 -3.301 11.714 5.437 1.00 0.00 O ATOM 0 H GLY A 62 -4.231 7.568 5.249 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -5.113 9.601 4.794 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -4.980 10.057 6.481 1.00 0.00 H new ATOM 908 N ARG A 63 -2.134 9.863 4.894 1.00 0.00 N ATOM 909 CA ARG A 63 -0.915 10.587 4.541 1.00 0.00 C ATOM 910 C ARG A 63 -0.473 10.228 3.123 1.00 0.00 C ATOM 911 O ARG A 63 -1.159 9.480 2.425 1.00 0.00 O ATOM 912 CB ARG A 63 0.204 10.269 5.539 1.00 0.00 C ATOM 913 CG ARG A 63 -0.185 10.510 6.991 1.00 0.00 C ATOM 914 CD ARG A 63 0.436 9.476 7.916 1.00 0.00 C ATOM 915 NE ARG A 63 1.851 9.748 8.169 1.00 0.00 N ATOM 916 CZ ARG A 63 2.295 10.672 9.025 1.00 0.00 C ATOM 917 NH1 ARG A 63 1.438 11.424 9.714 1.00 0.00 N ATOM 918 NH2 ARG A 63 3.603 10.847 9.190 1.00 0.00 N ATOM 0 H ARG A 63 -2.065 8.851 4.789 1.00 0.00 H new ATOM 0 HA ARG A 63 -1.126 11.656 4.581 1.00 0.00 H new ATOM 0 HB2 ARG A 63 0.500 9.227 5.420 1.00 0.00 H new ATOM 0 HB3 ARG A 63 1.076 10.878 5.300 1.00 0.00 H new ATOM 0 HG2 ARG A 63 0.134 11.507 7.293 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -1.270 10.480 7.087 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -0.106 9.464 8.862 1.00 0.00 H new ATOM 0 HD3 ARG A 63 0.330 8.485 7.475 1.00 0.00 H new ATOM 0 HE ARG A 63 2.542 9.197 7.660 1.00 0.00 H new ATOM 0 HH11 ARG A 63 0.434 11.296 9.590 1.00 0.00 H new ATOM 0 HH12 ARG A 63 1.786 12.127 10.366 1.00 0.00 H new ATOM 0 HH21 ARG A 63 4.264 10.276 8.663 1.00 0.00 H new ATOM 0 HH22 ARG A 63 3.945 11.552 9.843 1.00 0.00 H new ATOM 932 N SER A 64 0.669 10.766 2.699 1.00 0.00 N ATOM 933 CA SER A 64 1.194 10.500 1.363 1.00 0.00 C ATOM 934 C SER A 64 2.607 9.930 1.435 1.00 0.00 C ATOM 935 O SER A 64 3.534 10.602 1.892 1.00 0.00 O ATOM 936 CB SER A 64 1.186 11.783 0.525 1.00 0.00 C ATOM 937 OG SER A 64 1.739 12.876 1.243 1.00 0.00 O ATOM 0 H SER A 64 1.248 11.389 3.262 1.00 0.00 H new ATOM 0 HA SER A 64 0.551 9.760 0.887 1.00 0.00 H new ATOM 0 HB2 SER A 64 1.754 11.624 -0.392 1.00 0.00 H new ATOM 0 HB3 SER A 64 0.164 12.020 0.230 1.00 0.00 H new ATOM 0 HG SER A 64 2.532 12.576 1.735 1.00 0.00 H new ATOM 943 N LEU A 65 2.768 8.689 0.975 1.00 0.00 N ATOM 944 CA LEU A 65 4.074 8.036 0.983 1.00 0.00 C ATOM 945 C LEU A 65 4.609 7.863 -0.439 1.00 0.00 C ATOM 946 O LEU A 65 5.338 6.910 -0.726 1.00 0.00 O ATOM 947 CB LEU A 65 3.991 6.678 1.688 1.00 0.00 C ATOM 948 CG LEU A 65 3.443 6.712 3.119 1.00 0.00 C ATOM 949 CD1 LEU A 65 3.596 5.349 3.775 1.00 0.00 C ATOM 950 CD2 LEU A 65 4.145 7.782 3.946 1.00 0.00 C ATOM 0 H LEU A 65 2.013 8.119 0.594 1.00 0.00 H new ATOM 0 HA LEU A 65 4.766 8.674 1.532 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.362 6.016 1.092 1.00 0.00 H new ATOM 0 HB3 LEU A 65 4.988 6.237 1.709 1.00 0.00 H new ATOM 0 HG LEU A 65 2.383 6.962 3.072 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.203 5.388 4.791 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.044 4.605 3.201 1.00 0.00 H new ATOM 0 HD13 LEU A 65 4.651 5.076 3.805 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.738 7.786 4.957 1.00 0.00 H new ATOM 0 HD22 LEU A 65 5.213 7.569 3.986 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.987 8.758 3.488 1.00 0.00 H new ATOM 962 N VAL A 66 4.252 8.795 -1.324 1.00 0.00 N ATOM 963 CA VAL A 66 4.705 8.748 -2.707 1.00 0.00 C ATOM 964 C VAL A 66 6.020 9.500 -2.861 1.00 0.00 C ATOM 965 O VAL A 66 6.047 10.732 -2.919 1.00 0.00 O ATOM 966 CB VAL A 66 3.651 9.328 -3.670 1.00 0.00 C ATOM 967 CG1 VAL A 66 4.206 9.439 -5.084 1.00 0.00 C ATOM 968 CG2 VAL A 66 2.401 8.466 -3.649 1.00 0.00 C ATOM 0 H VAL A 66 3.651 9.589 -1.104 1.00 0.00 H new ATOM 0 HA VAL A 66 4.858 7.700 -2.967 1.00 0.00 H new ATOM 0 HB VAL A 66 3.391 10.333 -3.336 1.00 0.00 H new ATOM 0 HG11 VAL A 66 3.442 9.851 -5.743 1.00 0.00 H new ATOM 0 HG12 VAL A 66 5.076 10.095 -5.083 1.00 0.00 H new ATOM 0 HG13 VAL A 66 4.497 8.450 -5.439 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.661 8.882 -4.332 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.653 7.452 -3.961 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.991 8.444 -2.639 1.00 0.00 H new ATOM 978 N GLY A 67 7.104 8.739 -2.918 1.00 0.00 N ATOM 979 CA GLY A 67 8.429 9.321 -3.057 1.00 0.00 C ATOM 980 C GLY A 67 9.334 8.988 -1.885 1.00 0.00 C ATOM 981 O GLY A 67 10.060 9.851 -1.388 1.00 0.00 O ATOM 0 H GLY A 67 7.091 7.720 -2.870 1.00 0.00 H new ATOM 0 HA2 GLY A 67 8.886 8.961 -3.979 1.00 0.00 H new ATOM 0 HA3 GLY A 67 8.340 10.404 -3.147 1.00 0.00 H new ATOM 985 N LEU A 68 9.290 7.730 -1.446 1.00 0.00 N ATOM 986 CA LEU A 68 10.111 7.272 -0.330 1.00 0.00 C ATOM 987 C LEU A 68 11.078 6.176 -0.782 1.00 0.00 C ATOM 988 O LEU A 68 11.109 5.808 -1.958 1.00 0.00 O ATOM 989 CB LEU A 68 9.217 6.757 0.805 1.00 0.00 C ATOM 990 CG LEU A 68 8.350 7.821 1.483 1.00 0.00 C ATOM 991 CD1 LEU A 68 7.313 7.166 2.382 1.00 0.00 C ATOM 992 CD2 LEU A 68 9.212 8.791 2.278 1.00 0.00 C ATOM 0 H LEU A 68 8.692 7.009 -1.849 1.00 0.00 H new ATOM 0 HA LEU A 68 10.697 8.115 0.036 1.00 0.00 H new ATOM 0 HB2 LEU A 68 8.565 5.978 0.408 1.00 0.00 H new ATOM 0 HB3 LEU A 68 9.849 6.290 1.561 1.00 0.00 H new ATOM 0 HG LEU A 68 7.830 8.385 0.709 1.00 0.00 H new ATOM 0 HD11 LEU A 68 6.705 7.936 2.857 1.00 0.00 H new ATOM 0 HD12 LEU A 68 6.674 6.515 1.786 1.00 0.00 H new ATOM 0 HD13 LEU A 68 7.816 6.577 3.149 1.00 0.00 H new ATOM 0 HD21 LEU A 68 8.576 9.539 2.752 1.00 0.00 H new ATOM 0 HD22 LEU A 68 9.762 8.245 3.044 1.00 0.00 H new ATOM 0 HD23 LEU A 68 9.916 9.285 1.608 1.00 0.00 H new ATOM 1004 N SER A 69 11.865 5.662 0.163 1.00 0.00 N ATOM 1005 CA SER A 69 12.838 4.608 -0.126 1.00 0.00 C ATOM 1006 C SER A 69 12.274 3.217 0.167 1.00 0.00 C ATOM 1007 O SER A 69 13.030 2.256 0.337 1.00 0.00 O ATOM 1008 CB SER A 69 14.090 4.826 0.709 1.00 0.00 C ATOM 1009 OG SER A 69 15.173 5.263 -0.092 1.00 0.00 O ATOM 0 H SER A 69 11.848 5.959 1.138 1.00 0.00 H new ATOM 0 HA SER A 69 13.076 4.660 -1.188 1.00 0.00 H new ATOM 0 HB2 SER A 69 13.888 5.564 1.485 1.00 0.00 H new ATOM 0 HB3 SER A 69 14.359 3.898 1.214 1.00 0.00 H new ATOM 0 HG SER A 69 15.964 5.397 0.471 1.00 0.00 H new ATOM 1015 N GLN A 70 10.949 3.126 0.232 1.00 0.00 N ATOM 1016 CA GLN A 70 10.246 1.871 0.509 1.00 0.00 C ATOM 1017 C GLN A 70 10.273 1.528 2.000 1.00 0.00 C ATOM 1018 O GLN A 70 9.220 1.318 2.607 1.00 0.00 O ATOM 1019 CB GLN A 70 10.829 0.714 -0.303 1.00 0.00 C ATOM 1020 CG GLN A 70 9.915 -0.498 -0.347 1.00 0.00 C ATOM 1021 CD GLN A 70 10.595 -1.731 -0.906 1.00 0.00 C ATOM 1022 OE1 GLN A 70 9.823 -2.573 -1.577 1.00 0.00 O flip ATOM 1023 NE2 GLN A 70 11.798 -1.930 -0.732 1.00 0.00 N flip ATOM 0 H GLN A 70 10.327 3.923 0.094 1.00 0.00 H new ATOM 0 HA GLN A 70 9.208 2.018 0.209 1.00 0.00 H new ATOM 0 HB2 GLN A 70 11.024 1.053 -1.321 1.00 0.00 H new ATOM 0 HB3 GLN A 70 11.788 0.424 0.125 1.00 0.00 H new ATOM 0 HG2 GLN A 70 9.556 -0.712 0.660 1.00 0.00 H new ATOM 0 HG3 GLN A 70 9.040 -0.265 -0.954 1.00 0.00 H new ATOM 0 HE21 GLN A 70 12.356 -1.255 -0.209 1.00 0.00 H new ATOM 0 HE22 GLN A 70 12.236 -2.769 -1.111 1.00 0.00 H new ATOM 1032 N GLU A 71 11.473 1.470 2.585 1.00 0.00 N ATOM 1033 CA GLU A 71 11.619 1.155 4.006 1.00 0.00 C ATOM 1034 C GLU A 71 10.756 2.085 4.859 1.00 0.00 C ATOM 1035 O GLU A 71 10.083 1.639 5.788 1.00 0.00 O ATOM 1036 CB GLU A 71 13.084 1.271 4.435 1.00 0.00 C ATOM 1037 CG GLU A 71 13.920 0.046 4.102 1.00 0.00 C ATOM 1038 CD GLU A 71 15.211 -0.014 4.896 1.00 0.00 C ATOM 1039 OE1 GLU A 71 16.209 0.597 4.458 1.00 0.00 O ATOM 1040 OE2 GLU A 71 15.225 -0.673 5.958 1.00 0.00 O ATOM 0 H GLU A 71 12.353 1.637 2.097 1.00 0.00 H new ATOM 0 HA GLU A 71 11.285 0.129 4.158 1.00 0.00 H new ATOM 0 HB2 GLU A 71 13.526 2.143 3.953 1.00 0.00 H new ATOM 0 HB3 GLU A 71 13.125 1.446 5.510 1.00 0.00 H new ATOM 0 HG2 GLU A 71 13.335 -0.853 4.299 1.00 0.00 H new ATOM 0 HG3 GLU A 71 14.153 0.048 3.037 1.00 0.00 H new ATOM 1047 N ARG A 72 10.773 3.378 4.527 1.00 0.00 N ATOM 1048 CA ARG A 72 9.986 4.374 5.256 1.00 0.00 C ATOM 1049 C ARG A 72 8.485 4.140 5.068 1.00 0.00 C ATOM 1050 O ARG A 72 7.695 4.398 5.976 1.00 0.00 O ATOM 1051 CB ARG A 72 10.352 5.791 4.797 1.00 0.00 C ATOM 1052 CG ARG A 72 11.813 6.150 5.018 1.00 0.00 C ATOM 1053 CD ARG A 72 12.169 6.156 6.498 1.00 0.00 C ATOM 1054 NE ARG A 72 12.595 7.479 6.957 1.00 0.00 N ATOM 1055 CZ ARG A 72 12.619 7.853 8.239 1.00 0.00 C ATOM 1056 NH1 ARG A 72 12.245 7.009 9.196 1.00 0.00 N ATOM 1057 NH2 ARG A 72 13.016 9.078 8.563 1.00 0.00 N ATOM 0 H ARG A 72 11.324 3.759 3.758 1.00 0.00 H new ATOM 0 HA ARG A 72 10.221 4.270 6.315 1.00 0.00 H new ATOM 0 HB2 ARG A 72 10.119 5.891 3.737 1.00 0.00 H new ATOM 0 HB3 ARG A 72 9.727 6.508 5.329 1.00 0.00 H new ATOM 0 HG2 ARG A 72 12.448 5.436 4.493 1.00 0.00 H new ATOM 0 HG3 ARG A 72 12.016 7.132 4.590 1.00 0.00 H new ATOM 0 HD2 ARG A 72 11.306 5.832 7.079 1.00 0.00 H new ATOM 0 HD3 ARG A 72 12.966 5.435 6.682 1.00 0.00 H new ATOM 0 HE ARG A 72 12.892 8.157 6.255 1.00 0.00 H new ATOM 0 HH11 ARG A 72 11.937 6.067 8.954 1.00 0.00 H new ATOM 0 HH12 ARG A 72 12.267 7.303 10.172 1.00 0.00 H new ATOM 0 HH21 ARG A 72 13.302 9.731 7.834 1.00 0.00 H new ATOM 0 HH22 ARG A 72 13.035 9.366 9.541 1.00 0.00 H new ATOM 1071 N ALA A 73 8.099 3.651 3.887 1.00 0.00 N ATOM 1072 CA ALA A 73 6.694 3.385 3.592 1.00 0.00 C ATOM 1073 C ALA A 73 6.154 2.244 4.450 1.00 0.00 C ATOM 1074 O ALA A 73 5.245 2.446 5.259 1.00 0.00 O ATOM 1075 CB ALA A 73 6.507 3.073 2.114 1.00 0.00 C ATOM 0 H ALA A 73 8.739 3.433 3.124 1.00 0.00 H new ATOM 0 HA ALA A 73 6.127 4.284 3.833 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.454 2.878 1.914 1.00 0.00 H new ATOM 0 HB2 ALA A 73 6.838 3.923 1.518 1.00 0.00 H new ATOM 0 HB3 ALA A 73 7.095 2.194 1.850 1.00 0.00 H new ATOM 1081 N ALA A 74 6.722 1.048 4.275 1.00 0.00 N ATOM 1082 CA ALA A 74 6.299 -0.127 5.042 1.00 0.00 C ATOM 1083 C ALA A 74 6.411 0.134 6.544 1.00 0.00 C ATOM 1084 O ALA A 74 5.520 -0.231 7.313 1.00 0.00 O ATOM 1085 CB ALA A 74 7.122 -1.349 4.654 1.00 0.00 C ATOM 0 H ALA A 74 7.474 0.868 3.610 1.00 0.00 H new ATOM 0 HA ALA A 74 5.254 -0.324 4.805 1.00 0.00 H new ATOM 0 HB1 ALA A 74 6.791 -2.210 5.235 1.00 0.00 H new ATOM 0 HB2 ALA A 74 6.988 -1.555 3.592 1.00 0.00 H new ATOM 0 HB3 ALA A 74 8.176 -1.157 4.857 1.00 0.00 H new ATOM 1091 N GLU A 75 7.507 0.778 6.948 1.00 0.00 N ATOM 1092 CA GLU A 75 7.739 1.102 8.355 1.00 0.00 C ATOM 1093 C GLU A 75 6.635 2.014 8.901 1.00 0.00 C ATOM 1094 O GLU A 75 6.275 1.925 10.074 1.00 0.00 O ATOM 1095 CB GLU A 75 9.106 1.772 8.526 1.00 0.00 C ATOM 1096 CG GLU A 75 9.541 1.914 9.978 1.00 0.00 C ATOM 1097 CD GLU A 75 11.015 2.250 10.122 1.00 0.00 C ATOM 1098 OE1 GLU A 75 11.850 1.556 9.502 1.00 0.00 O ATOM 1099 OE2 GLU A 75 11.336 3.209 10.857 1.00 0.00 O ATOM 0 H GLU A 75 8.249 1.086 6.319 1.00 0.00 H new ATOM 0 HA GLU A 75 7.724 0.171 8.922 1.00 0.00 H new ATOM 0 HB2 GLU A 75 9.855 1.192 7.987 1.00 0.00 H new ATOM 0 HB3 GLU A 75 9.076 2.760 8.067 1.00 0.00 H new ATOM 0 HG2 GLU A 75 8.947 2.693 10.456 1.00 0.00 H new ATOM 0 HG3 GLU A 75 9.332 0.985 10.507 1.00 0.00 H new ATOM 1106 N LEU A 76 6.099 2.887 8.045 1.00 0.00 N ATOM 1107 CA LEU A 76 5.035 3.802 8.452 1.00 0.00 C ATOM 1108 C LEU A 76 3.689 3.080 8.514 1.00 0.00 C ATOM 1109 O LEU A 76 2.941 3.231 9.479 1.00 0.00 O ATOM 1110 CB LEU A 76 4.943 4.990 7.488 1.00 0.00 C ATOM 1111 CG LEU A 76 5.662 6.262 7.944 1.00 0.00 C ATOM 1112 CD1 LEU A 76 5.469 7.374 6.924 1.00 0.00 C ATOM 1113 CD2 LEU A 76 5.159 6.698 9.315 1.00 0.00 C ATOM 0 H LEU A 76 6.384 2.978 7.070 1.00 0.00 H new ATOM 0 HA LEU A 76 5.279 4.173 9.447 1.00 0.00 H new ATOM 0 HB2 LEU A 76 5.353 4.687 6.524 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.891 5.225 7.327 1.00 0.00 H new ATOM 0 HG LEU A 76 6.728 6.048 8.023 1.00 0.00 H new ATOM 0 HD11 LEU A 76 5.986 8.272 7.262 1.00 0.00 H new ATOM 0 HD12 LEU A 76 5.877 7.061 5.963 1.00 0.00 H new ATOM 0 HD13 LEU A 76 4.406 7.587 6.815 1.00 0.00 H new ATOM 0 HD21 LEU A 76 5.681 7.604 9.623 1.00 0.00 H new ATOM 0 HD22 LEU A 76 4.088 6.896 9.264 1.00 0.00 H new ATOM 0 HD23 LEU A 76 5.347 5.906 10.040 1.00 0.00 H new ATOM 1125 N MET A 77 3.390 2.296 7.477 1.00 0.00 N ATOM 1126 CA MET A 77 2.133 1.549 7.410 1.00 0.00 C ATOM 1127 C MET A 77 1.976 0.621 8.617 1.00 0.00 C ATOM 1128 O MET A 77 0.887 0.512 9.184 1.00 0.00 O ATOM 1129 CB MET A 77 2.057 0.740 6.111 1.00 0.00 C ATOM 1130 CG MET A 77 2.014 1.596 4.851 1.00 0.00 C ATOM 1131 SD MET A 77 3.150 1.020 3.574 1.00 0.00 S ATOM 1132 CE MET A 77 2.477 -0.602 3.227 1.00 0.00 C ATOM 0 H MET A 77 4.001 2.162 6.672 1.00 0.00 H new ATOM 0 HA MET A 77 1.316 2.270 7.426 1.00 0.00 H new ATOM 0 HB2 MET A 77 2.919 0.076 6.058 1.00 0.00 H new ATOM 0 HB3 MET A 77 1.169 0.108 6.140 1.00 0.00 H new ATOM 0 HG2 MET A 77 0.999 1.598 4.454 1.00 0.00 H new ATOM 0 HG3 MET A 77 2.257 2.627 5.109 1.00 0.00 H new ATOM 0 HE1 MET A 77 3.193 -1.366 3.531 1.00 0.00 H new ATOM 0 HE2 MET A 77 1.547 -0.736 3.779 1.00 0.00 H new ATOM 0 HE3 MET A 77 2.281 -0.694 2.159 1.00 0.00 H new ATOM 1142 N THR A 78 3.066 -0.037 9.013 1.00 0.00 N ATOM 1143 CA THR A 78 3.038 -0.940 10.164 1.00 0.00 C ATOM 1144 C THR A 78 2.961 -0.145 11.469 1.00 0.00 C ATOM 1145 O THR A 78 2.354 -0.595 12.442 1.00 0.00 O ATOM 1146 CB THR A 78 4.268 -1.859 10.167 1.00 0.00 C ATOM 1147 OG1 THR A 78 4.204 -2.784 11.241 1.00 0.00 O ATOM 1148 CG2 THR A 78 5.587 -1.119 10.274 1.00 0.00 C ATOM 0 H THR A 78 3.975 0.038 8.556 1.00 0.00 H new ATOM 0 HA THR A 78 2.147 -1.563 10.085 1.00 0.00 H new ATOM 0 HB THR A 78 4.240 -2.367 9.203 1.00 0.00 H new ATOM 0 HG1 THR A 78 4.996 -3.361 11.224 1.00 0.00 H new ATOM 0 HG21 THR A 78 6.408 -1.836 10.270 1.00 0.00 H new ATOM 0 HG22 THR A 78 5.693 -0.441 9.427 1.00 0.00 H new ATOM 0 HG23 THR A 78 5.609 -0.547 11.202 1.00 0.00 H new ATOM 1156 N ARG A 79 3.572 1.043 11.477 1.00 0.00 N ATOM 1157 CA ARG A 79 3.569 1.905 12.656 1.00 0.00 C ATOM 1158 C ARG A 79 2.330 2.812 12.682 1.00 0.00 C ATOM 1159 O ARG A 79 2.442 4.025 12.874 1.00 0.00 O ATOM 1160 CB ARG A 79 4.845 2.756 12.694 1.00 0.00 C ATOM 1161 CG ARG A 79 6.038 2.039 13.304 1.00 0.00 C ATOM 1162 CD ARG A 79 6.536 2.753 14.552 1.00 0.00 C ATOM 1163 NE ARG A 79 7.964 2.526 14.784 1.00 0.00 N ATOM 1164 CZ ARG A 79 8.611 2.893 15.894 1.00 0.00 C ATOM 1165 NH1 ARG A 79 7.966 3.509 16.882 1.00 0.00 N ATOM 1166 NH2 ARG A 79 9.912 2.646 16.016 1.00 0.00 N ATOM 0 H ARG A 79 4.075 1.428 10.677 1.00 0.00 H new ATOM 0 HA ARG A 79 3.538 1.265 13.538 1.00 0.00 H new ATOM 0 HB2 ARG A 79 5.097 3.063 11.679 1.00 0.00 H new ATOM 0 HB3 ARG A 79 4.648 3.665 13.263 1.00 0.00 H new ATOM 0 HG2 ARG A 79 5.760 1.015 13.555 1.00 0.00 H new ATOM 0 HG3 ARG A 79 6.843 1.980 12.571 1.00 0.00 H new ATOM 0 HD2 ARG A 79 6.350 3.823 14.455 1.00 0.00 H new ATOM 0 HD3 ARG A 79 5.969 2.408 15.417 1.00 0.00 H new ATOM 0 HE ARG A 79 8.499 2.058 14.052 1.00 0.00 H new ATOM 0 HH11 ARG A 79 6.969 3.705 16.796 1.00 0.00 H new ATOM 0 HH12 ARG A 79 8.469 3.785 17.725 1.00 0.00 H new ATOM 0 HH21 ARG A 79 10.415 2.177 15.263 1.00 0.00 H new ATOM 0 HH22 ARG A 79 10.407 2.926 16.863 1.00 0.00 H new ATOM 1180 N THR A 80 1.148 2.219 12.491 1.00 0.00 N ATOM 1181 CA THR A 80 -0.105 2.977 12.499 1.00 0.00 C ATOM 1182 C THR A 80 -0.994 2.558 13.671 1.00 0.00 C ATOM 1183 O THR A 80 -0.713 1.568 14.351 1.00 0.00 O ATOM 1184 CB THR A 80 -0.856 2.779 11.180 1.00 0.00 C ATOM 1185 OG1 THR A 80 -0.979 1.397 10.868 1.00 0.00 O ATOM 1186 CG2 THR A 80 -0.189 3.471 10.008 1.00 0.00 C ATOM 0 H THR A 80 1.033 1.218 12.329 1.00 0.00 H new ATOM 0 HA THR A 80 0.143 4.032 12.615 1.00 0.00 H new ATOM 0 HB THR A 80 -1.838 3.228 11.332 1.00 0.00 H new ATOM 0 HG1 THR A 80 -0.409 1.183 10.100 1.00 0.00 H new ATOM 0 HG21 THR A 80 -0.769 3.293 9.102 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.136 4.543 10.200 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.818 3.076 9.877 1.00 0.00 H new ATOM 1194 N SER A 81 -2.071 3.315 13.900 1.00 0.00 N ATOM 1195 CA SER A 81 -3.006 3.020 14.987 1.00 0.00 C ATOM 1196 C SER A 81 -3.996 1.928 14.568 1.00 0.00 C ATOM 1197 O SER A 81 -3.836 1.307 13.515 1.00 0.00 O ATOM 1198 CB SER A 81 -3.760 4.293 15.401 1.00 0.00 C ATOM 1199 OG SER A 81 -4.464 4.103 16.618 1.00 0.00 O ATOM 0 H SER A 81 -2.316 4.136 13.347 1.00 0.00 H new ATOM 0 HA SER A 81 -2.436 2.656 15.842 1.00 0.00 H new ATOM 0 HB2 SER A 81 -3.054 5.116 15.511 1.00 0.00 H new ATOM 0 HB3 SER A 81 -4.459 4.576 14.614 1.00 0.00 H new ATOM 0 HG SER A 81 -4.933 4.930 16.857 1.00 0.00 H new ATOM 1205 N SER A 82 -5.018 1.698 15.397 1.00 0.00 N ATOM 1206 CA SER A 82 -6.031 0.681 15.104 1.00 0.00 C ATOM 1207 C SER A 82 -6.634 0.896 13.716 1.00 0.00 C ATOM 1208 O SER A 82 -6.726 -0.039 12.921 1.00 0.00 O ATOM 1209 CB SER A 82 -7.139 0.699 16.164 1.00 0.00 C ATOM 1210 OG SER A 82 -7.294 1.991 16.732 1.00 0.00 O ATOM 0 H SER A 82 -5.165 2.200 16.273 1.00 0.00 H new ATOM 0 HA SER A 82 -5.542 -0.293 15.123 1.00 0.00 H new ATOM 0 HB2 SER A 82 -8.080 0.383 15.714 1.00 0.00 H new ATOM 0 HB3 SER A 82 -6.904 -0.019 16.950 1.00 0.00 H new ATOM 0 HG SER A 82 -8.008 1.970 17.402 1.00 0.00 H new ATOM 1216 N VAL A 83 -7.035 2.135 13.430 1.00 0.00 N ATOM 1217 CA VAL A 83 -7.619 2.475 12.137 1.00 0.00 C ATOM 1218 C VAL A 83 -6.531 2.798 11.113 1.00 0.00 C ATOM 1219 O VAL A 83 -5.650 3.621 11.368 1.00 0.00 O ATOM 1220 CB VAL A 83 -8.599 3.660 12.249 1.00 0.00 C ATOM 1221 CG1 VAL A 83 -7.872 4.902 12.721 1.00 0.00 C ATOM 1222 CG2 VAL A 83 -9.302 3.910 10.921 1.00 0.00 C ATOM 0 H VAL A 83 -6.965 2.919 14.079 1.00 0.00 H new ATOM 0 HA VAL A 83 -8.176 1.601 11.799 1.00 0.00 H new ATOM 0 HB VAL A 83 -9.361 3.409 12.986 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -8.577 5.730 12.795 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -7.428 4.714 13.699 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -7.087 5.157 12.009 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -9.988 4.751 11.025 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -8.561 4.139 10.155 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -9.860 3.020 10.632 1.00 0.00 H new ATOM 1232 N VAL A 84 -6.595 2.137 9.959 1.00 0.00 N ATOM 1233 CA VAL A 84 -5.615 2.342 8.898 1.00 0.00 C ATOM 1234 C VAL A 84 -6.296 2.780 7.602 1.00 0.00 C ATOM 1235 O VAL A 84 -7.378 2.296 7.266 1.00 0.00 O ATOM 1236 CB VAL A 84 -4.796 1.061 8.630 1.00 0.00 C ATOM 1237 CG1 VAL A 84 -3.575 1.371 7.779 1.00 0.00 C ATOM 1238 CG2 VAL A 84 -4.383 0.397 9.937 1.00 0.00 C ATOM 0 H VAL A 84 -7.318 1.453 9.736 1.00 0.00 H new ATOM 0 HA VAL A 84 -4.940 3.128 9.237 1.00 0.00 H new ATOM 0 HB VAL A 84 -5.429 0.365 8.080 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -3.012 0.454 7.602 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -3.894 1.791 6.825 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -2.942 2.091 8.299 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -3.807 -0.503 9.722 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.773 1.088 10.519 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -5.273 0.131 10.507 1.00 0.00 H new ATOM 1248 N THR A 85 -5.653 3.696 6.878 1.00 0.00 N ATOM 1249 CA THR A 85 -6.196 4.199 5.620 1.00 0.00 C ATOM 1250 C THR A 85 -5.244 3.914 4.456 1.00 0.00 C ATOM 1251 O THR A 85 -4.202 4.558 4.325 1.00 0.00 O ATOM 1252 CB THR A 85 -6.468 5.703 5.723 1.00 0.00 C ATOM 1253 OG1 THR A 85 -7.243 5.996 6.874 1.00 0.00 O ATOM 1254 CG2 THR A 85 -7.199 6.263 4.523 1.00 0.00 C ATOM 0 H THR A 85 -4.756 4.104 7.142 1.00 0.00 H new ATOM 0 HA THR A 85 -7.135 3.680 5.426 1.00 0.00 H new ATOM 0 HB THR A 85 -5.485 6.170 5.780 1.00 0.00 H new ATOM 0 HG1 THR A 85 -7.404 6.961 6.923 1.00 0.00 H new ATOM 0 HG21 THR A 85 -7.359 7.332 4.661 1.00 0.00 H new ATOM 0 HG22 THR A 85 -6.604 6.098 3.625 1.00 0.00 H new ATOM 0 HG23 THR A 85 -8.161 5.762 4.417 1.00 0.00 H new ATOM 1262 N LEU A 86 -5.611 2.946 3.615 1.00 0.00 N ATOM 1263 CA LEU A 86 -4.792 2.573 2.460 1.00 0.00 C ATOM 1264 C LEU A 86 -5.458 2.999 1.152 1.00 0.00 C ATOM 1265 O LEU A 86 -6.650 2.761 0.947 1.00 0.00 O ATOM 1266 CB LEU A 86 -4.551 1.059 2.445 1.00 0.00 C ATOM 1267 CG LEU A 86 -3.361 0.569 3.277 1.00 0.00 C ATOM 1268 CD1 LEU A 86 -2.101 1.349 2.934 1.00 0.00 C ATOM 1269 CD2 LEU A 86 -3.667 0.674 4.763 1.00 0.00 C ATOM 0 H LEU A 86 -6.471 2.406 3.712 1.00 0.00 H new ATOM 0 HA LEU A 86 -3.837 3.091 2.548 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -5.452 0.562 2.805 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -4.404 0.743 1.412 1.00 0.00 H new ATOM 0 HG LEU A 86 -3.187 -0.479 3.034 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.271 0.983 3.538 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -1.868 1.217 1.878 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -2.261 2.407 3.141 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -2.810 0.321 5.337 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -3.873 1.713 5.020 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -4.538 0.063 4.999 1.00 0.00 H new ATOM 1281 N GLU A 87 -4.677 3.622 0.267 1.00 0.00 N ATOM 1282 CA GLU A 87 -5.190 4.071 -1.025 1.00 0.00 C ATOM 1283 C GLU A 87 -4.510 3.320 -2.168 1.00 0.00 C ATOM 1284 O GLU A 87 -3.346 3.574 -2.487 1.00 0.00 O ATOM 1285 CB GLU A 87 -4.986 5.580 -1.188 1.00 0.00 C ATOM 1286 CG GLU A 87 -5.439 6.118 -2.539 1.00 0.00 C ATOM 1287 CD GLU A 87 -5.355 7.631 -2.633 1.00 0.00 C ATOM 1288 OE1 GLU A 87 -4.329 8.199 -2.203 1.00 0.00 O ATOM 1289 OE2 GLU A 87 -6.316 8.246 -3.138 1.00 0.00 O ATOM 0 H GLU A 87 -3.690 3.826 0.423 1.00 0.00 H new ATOM 0 HA GLU A 87 -6.258 3.857 -1.059 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -5.531 6.098 -0.399 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -3.930 5.812 -1.051 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -4.826 5.676 -3.324 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -6.467 5.804 -2.723 1.00 0.00 H new ATOM 1296 N VAL A 88 -5.250 2.393 -2.781 1.00 0.00 N ATOM 1297 CA VAL A 88 -4.727 1.598 -3.891 1.00 0.00 C ATOM 1298 C VAL A 88 -5.300 2.057 -5.230 1.00 0.00 C ATOM 1299 O VAL A 88 -6.189 2.909 -5.279 1.00 0.00 O ATOM 1300 CB VAL A 88 -5.036 0.093 -3.717 1.00 0.00 C ATOM 1301 CG1 VAL A 88 -4.395 -0.454 -2.451 1.00 0.00 C ATOM 1302 CG2 VAL A 88 -6.538 -0.158 -3.713 1.00 0.00 C ATOM 0 H VAL A 88 -6.213 2.176 -2.526 1.00 0.00 H new ATOM 0 HA VAL A 88 -3.647 1.747 -3.885 1.00 0.00 H new ATOM 0 HB VAL A 88 -4.606 -0.436 -4.568 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -4.629 -1.514 -2.354 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -3.314 -0.324 -2.505 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -4.782 0.084 -1.586 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -6.728 -1.224 -3.589 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -6.996 0.390 -2.890 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -6.966 0.180 -4.657 1.00 0.00 H new ATOM 1312 N ALA A 89 -4.790 1.468 -6.311 1.00 0.00 N ATOM 1313 CA ALA A 89 -5.250 1.791 -7.656 1.00 0.00 C ATOM 1314 C ALA A 89 -5.742 0.540 -8.378 1.00 0.00 C ATOM 1315 O ALA A 89 -5.183 -0.544 -8.210 1.00 0.00 O ATOM 1316 CB ALA A 89 -4.142 2.464 -8.455 1.00 0.00 C ATOM 0 H ALA A 89 -4.055 0.762 -6.278 1.00 0.00 H new ATOM 0 HA ALA A 89 -6.085 2.486 -7.569 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -4.505 2.697 -9.456 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -3.840 3.384 -7.955 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -3.286 1.793 -8.527 1.00 0.00 H new ATOM 1322 N LYS A 90 -6.794 0.703 -9.177 1.00 0.00 N ATOM 1323 CA LYS A 90 -7.375 -0.404 -9.933 1.00 0.00 C ATOM 1324 C LYS A 90 -6.625 -0.600 -11.248 1.00 0.00 C ATOM 1325 O LYS A 90 -6.874 0.105 -12.230 1.00 0.00 O ATOM 1326 CB LYS A 90 -8.864 -0.141 -10.195 1.00 0.00 C ATOM 1327 CG LYS A 90 -9.792 -0.764 -9.159 1.00 0.00 C ATOM 1328 CD LYS A 90 -9.623 -0.114 -7.792 1.00 0.00 C ATOM 1329 CE LYS A 90 -9.499 -1.152 -6.687 1.00 0.00 C ATOM 1330 NZ LYS A 90 -8.217 -1.907 -6.771 1.00 0.00 N ATOM 0 H LYS A 90 -7.264 1.597 -9.318 1.00 0.00 H new ATOM 0 HA LYS A 90 -7.282 -1.318 -9.346 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -9.034 0.935 -10.220 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -9.123 -0.528 -11.180 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -10.826 -0.660 -9.487 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -9.588 -1.832 -9.082 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -8.736 0.519 -7.797 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -10.476 0.534 -7.589 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -9.566 -0.659 -5.717 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -10.335 -1.849 -6.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -8.036 -2.386 -5.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -8.280 -2.614 -7.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -7.439 -1.248 -6.975 1.00 0.00 H new ATOM 1344 N GLN A 91 -5.696 -1.555 -11.250 1.00 0.00 N ATOM 1345 CA GLN A 91 -4.890 -1.848 -12.431 1.00 0.00 C ATOM 1346 C GLN A 91 -4.621 -3.349 -12.558 1.00 0.00 C ATOM 1347 O GLN A 91 -5.169 -4.154 -11.800 1.00 0.00 O ATOM 1348 CB GLN A 91 -3.567 -1.072 -12.368 1.00 0.00 C ATOM 1349 CG GLN A 91 -2.541 -1.670 -11.414 1.00 0.00 C ATOM 1350 CD GLN A 91 -2.869 -1.394 -9.961 1.00 0.00 C ATOM 1351 OE1 GLN A 91 -2.642 -0.292 -9.461 1.00 0.00 O ATOM 1352 NE2 GLN A 91 -3.413 -2.392 -9.275 1.00 0.00 N ATOM 0 H GLN A 91 -5.483 -2.141 -10.442 1.00 0.00 H new ATOM 0 HA GLN A 91 -5.448 -1.532 -13.313 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -3.136 -1.028 -13.368 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -3.774 -0.046 -12.065 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -2.487 -2.747 -11.573 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -1.556 -1.264 -11.644 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -3.584 -3.289 -9.729 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -3.660 -2.261 -8.294 1.00 0.00 H new ATOM 1361 N GLY A 92 -3.772 -3.718 -13.520 1.00 0.00 N ATOM 1362 CA GLY A 92 -3.441 -5.114 -13.729 1.00 0.00 C ATOM 1363 C GLY A 92 -3.062 -5.410 -15.165 1.00 0.00 C ATOM 1364 O GLY A 92 -3.675 -4.882 -16.095 1.00 0.00 O ATOM 0 H GLY A 92 -3.309 -3.070 -14.157 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -2.615 -5.390 -13.074 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -4.293 -5.733 -13.446 1.00 0.00 H new ATOM 1368 N ALA A 93 -2.047 -6.256 -15.337 1.00 0.00 N ATOM 1369 CA ALA A 93 -1.561 -6.639 -16.663 1.00 0.00 C ATOM 1370 C ALA A 93 -0.991 -5.439 -17.430 1.00 0.00 C ATOM 1371 O ALA A 93 -0.811 -5.554 -18.662 1.00 0.00 O ATOM 1372 CB ALA A 93 -2.672 -7.314 -17.458 1.00 0.00 C ATOM 1373 OXT ALA A 93 -0.715 -4.399 -16.792 1.00 0.00 O ATOM 0 H ALA A 93 -1.541 -6.693 -14.567 1.00 0.00 H new ATOM 0 HA ALA A 93 -0.746 -7.349 -16.526 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -2.297 -7.594 -18.442 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -3.006 -8.207 -16.930 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -3.509 -6.625 -17.571 1.00 0.00 H new TER 1379 ALA A 93 ATOM 1380 N LEU B 99 13.236 -5.087 -8.646 1.00 0.00 N ATOM 1381 CA LEU B 99 13.581 -6.224 -7.746 1.00 0.00 C ATOM 1382 C LEU B 99 13.508 -5.811 -6.269 1.00 0.00 C ATOM 1383 O LEU B 99 14.390 -6.144 -5.476 1.00 0.00 O ATOM 1384 CB LEU B 99 14.993 -6.714 -8.102 1.00 0.00 C ATOM 1385 CG LEU B 99 15.400 -8.057 -7.486 1.00 0.00 C ATOM 1386 CD1 LEU B 99 14.430 -9.158 -7.888 1.00 0.00 C ATOM 1387 CD2 LEU B 99 16.818 -8.421 -7.901 1.00 0.00 C ATOM 0 HA LEU B 99 12.859 -7.028 -7.889 1.00 0.00 H new ATOM 0 HB2 LEU B 99 15.068 -6.794 -9.186 1.00 0.00 H new ATOM 0 HB3 LEU B 99 15.711 -5.957 -7.787 1.00 0.00 H new ATOM 0 HG LEU B 99 15.367 -7.957 -6.401 1.00 0.00 H new ATOM 0 HD11 LEU B 99 14.742 -10.100 -7.437 1.00 0.00 H new ATOM 0 HD12 LEU B 99 13.428 -8.904 -7.542 1.00 0.00 H new ATOM 0 HD13 LEU B 99 14.424 -9.259 -8.973 1.00 0.00 H new ATOM 0 HD21 LEU B 99 17.093 -9.377 -7.456 1.00 0.00 H new ATOM 0 HD22 LEU B 99 16.871 -8.498 -8.987 1.00 0.00 H new ATOM 0 HD23 LEU B 99 17.507 -7.649 -7.558 1.00 0.00 H new ATOM 1401 N PHE B 100 12.447 -5.085 -5.906 1.00 0.00 N ATOM 1402 CA PHE B 100 12.259 -4.632 -4.529 1.00 0.00 C ATOM 1403 C PHE B 100 11.255 -5.522 -3.797 1.00 0.00 C ATOM 1404 O PHE B 100 10.491 -6.258 -4.427 1.00 0.00 O ATOM 1405 CB PHE B 100 11.773 -3.179 -4.512 1.00 0.00 C ATOM 1406 CG PHE B 100 12.869 -2.160 -4.654 1.00 0.00 C ATOM 1407 CD1 PHE B 100 13.659 -2.120 -5.792 1.00 0.00 C ATOM 1408 CD2 PHE B 100 13.104 -1.238 -3.648 1.00 0.00 C ATOM 1409 CE1 PHE B 100 14.661 -1.178 -5.924 1.00 0.00 C ATOM 1410 CE2 PHE B 100 14.102 -0.293 -3.773 1.00 0.00 C ATOM 1411 CZ PHE B 100 14.884 -0.263 -4.911 1.00 0.00 C ATOM 0 H PHE B 100 11.707 -4.800 -6.547 1.00 0.00 H new ATOM 0 HA PHE B 100 13.219 -4.696 -4.016 1.00 0.00 H new ATOM 0 HB2 PHE B 100 11.055 -3.039 -5.320 1.00 0.00 H new ATOM 0 HB3 PHE B 100 11.242 -2.997 -3.578 1.00 0.00 H new ATOM 0 HD1 PHE B 100 13.489 -2.833 -6.585 1.00 0.00 H new ATOM 0 HD2 PHE B 100 12.498 -1.259 -2.754 1.00 0.00 H new ATOM 0 HE1 PHE B 100 15.269 -1.156 -6.816 1.00 0.00 H new ATOM 0 HE2 PHE B 100 14.271 0.422 -2.982 1.00 0.00 H new ATOM 0 HZ PHE B 100 15.668 0.473 -5.010 1.00 0.00 H new ATOM 1421 N SER B 101 11.253 -5.444 -2.465 1.00 0.00 N ATOM 1422 CA SER B 101 10.333 -6.237 -1.652 1.00 0.00 C ATOM 1423 C SER B 101 10.314 -5.760 -0.198 1.00 0.00 C ATOM 1424 O SER B 101 11.344 -5.357 0.349 1.00 0.00 O ATOM 1425 CB SER B 101 10.707 -7.722 -1.711 1.00 0.00 C ATOM 1426 OG SER B 101 11.976 -7.959 -1.122 1.00 0.00 O ATOM 0 H SER B 101 11.877 -4.841 -1.929 1.00 0.00 H new ATOM 0 HA SER B 101 9.333 -6.104 -2.065 1.00 0.00 H new ATOM 0 HB2 SER B 101 9.949 -8.311 -1.195 1.00 0.00 H new ATOM 0 HB3 SER B 101 10.718 -8.055 -2.749 1.00 0.00 H new ATOM 0 HG SER B 101 12.187 -8.915 -1.173 1.00 0.00 H new ATOM 1432 N THR B 102 9.134 -5.816 0.419 1.00 0.00 N ATOM 1433 CA THR B 102 8.962 -5.402 1.812 1.00 0.00 C ATOM 1434 C THR B 102 7.778 -6.129 2.443 1.00 0.00 C ATOM 1435 O THR B 102 7.040 -6.839 1.758 1.00 0.00 O ATOM 1436 CB THR B 102 8.746 -3.886 1.920 1.00 0.00 C ATOM 1437 OG1 THR B 102 8.649 -3.284 0.642 1.00 0.00 O ATOM 1438 CG2 THR B 102 9.848 -3.178 2.679 1.00 0.00 C ATOM 0 H THR B 102 8.278 -6.146 -0.027 1.00 0.00 H new ATOM 0 HA THR B 102 9.875 -5.663 2.347 1.00 0.00 H new ATOM 0 HB THR B 102 7.812 -3.775 2.471 1.00 0.00 H new ATOM 0 HG1 THR B 102 8.077 -3.832 0.065 1.00 0.00 H new ATOM 0 HG21 THR B 102 9.634 -2.110 2.719 1.00 0.00 H new ATOM 0 HG22 THR B 102 9.905 -3.575 3.693 1.00 0.00 H new ATOM 0 HG23 THR B 102 10.800 -3.339 2.173 1.00 0.00 H new ATOM 1446 N GLU B 103 7.598 -5.937 3.749 1.00 0.00 N ATOM 1447 CA GLU B 103 6.500 -6.564 4.477 1.00 0.00 C ATOM 1448 C GLU B 103 6.013 -5.655 5.605 1.00 0.00 C ATOM 1449 O GLU B 103 6.811 -5.171 6.413 1.00 0.00 O ATOM 1450 CB GLU B 103 6.930 -7.923 5.044 1.00 0.00 C ATOM 1451 CG GLU B 103 7.763 -8.756 4.079 1.00 0.00 C ATOM 1452 CD GLU B 103 8.149 -10.106 4.652 1.00 0.00 C ATOM 1453 OE1 GLU B 103 8.983 -10.140 5.581 1.00 0.00 O ATOM 1454 OE2 GLU B 103 7.620 -11.129 4.169 1.00 0.00 O ATOM 0 H GLU B 103 8.202 -5.350 4.325 1.00 0.00 H new ATOM 0 HA GLU B 103 5.679 -6.723 3.778 1.00 0.00 H new ATOM 0 HB2 GLU B 103 7.503 -7.760 5.957 1.00 0.00 H new ATOM 0 HB3 GLU B 103 6.040 -8.488 5.322 1.00 0.00 H new ATOM 0 HG2 GLU B 103 7.202 -8.905 3.156 1.00 0.00 H new ATOM 0 HG3 GLU B 103 8.667 -8.205 3.817 1.00 0.00 H new ATOM 1461 N VAL B 104 4.700 -5.427 5.647 1.00 0.00 N ATOM 1462 CA VAL B 104 4.094 -4.576 6.669 1.00 0.00 C ATOM 1463 C VAL B 104 2.950 -5.305 7.385 1.00 0.00 C ATOM 1464 O VAL B 104 2.224 -6.079 6.722 1.00 0.00 O ATOM 1465 CB VAL B 104 3.579 -3.245 6.059 1.00 0.00 C ATOM 1466 CG1 VAL B 104 2.536 -3.504 4.984 1.00 0.00 C ATOM 1467 CG2 VAL B 104 3.024 -2.328 7.138 1.00 0.00 C ATOM 1468 OXT VAL B 104 2.799 -5.105 8.609 1.00 0.00 O ATOM 0 H VAL B 104 4.035 -5.822 4.982 1.00 0.00 H new ATOM 0 HA VAL B 104 4.868 -4.342 7.400 1.00 0.00 H new ATOM 0 HB VAL B 104 4.427 -2.744 5.593 1.00 0.00 H new ATOM 0 HG11 VAL B 104 2.193 -2.554 4.574 1.00 0.00 H new ATOM 0 HG12 VAL B 104 2.975 -4.105 4.188 1.00 0.00 H new ATOM 0 HG13 VAL B 104 1.691 -4.038 5.418 1.00 0.00 H new ATOM 0 HG21 VAL B 104 2.670 -1.403 6.683 1.00 0.00 H new ATOM 0 HG22 VAL B 104 2.196 -2.823 7.645 1.00 0.00 H new ATOM 0 HG23 VAL B 104 3.808 -2.100 7.860 1.00 0.00 H new TER 1478 VAL B 104