USER MOD reduce.3.24.130724 H: found=0, std=0, add=705, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 703 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 64 ASN : amide:sc= -0.545 K(o=0.31,f=-1.7!) USER MOD Set 1.2: A 66 LYS NZ :NH3+ 169:sc= 0.858 (180deg=0.894) USER MOD Set 2.1: A 51 MET CE :methyl -109:sc= -1.12 (180deg=-4.63!) USER MOD Set 2.2: A 56 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 41 THR OG1 : rot -80:sc= -0.44 USER MOD Set 3.2: A 48 GLN : amide:sc= -7.86! C(o=-14!,f=-23!) USER MOD Set 3.3: A 75 MET CE :methyl -109:sc= -5.85! (180deg=-8.2!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 29:sc= 1.14 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN :FLIP amide:sc= -1.56 F(o=-3.5!,f=-1.6) USER MOD Single : A 26 THR OG1 : rot -119:sc= 0.374 USER MOD Single : A 31 MET CE :methyl 144:sc= -0.366 (180deg=-1.6!) USER MOD Single : A 34 LYS NZ :NH3+ 170:sc= 0.0889 (180deg=0.0759) USER MOD Single : A 36 GLN :FLIP amide:sc= -1.94 F(o=-2.5,f=-1.9) USER MOD Single : A 44 GLN : amide:sc= -0.518 X(o=-0.52,f=-0.94) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.225) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 MET CE :methyl -155:sc= -1.84 (180deg=-3.46!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN :FLIP amide:sc= -0.14 F(o=-0.68,f=-0.14) USER MOD Single : A 71 MET CE :methyl -132:sc= -1.22 (180deg=-1.51) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 43:sc= 0.462 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.270 12.348 -24.179 1.00 0.00 N ATOM 2 CA GLY A 1 0.469 11.228 -24.643 1.00 0.00 C ATOM 3 C GLY A 1 0.387 10.134 -23.577 1.00 0.00 C ATOM 4 O GLY A 1 0.087 10.413 -22.417 1.00 0.00 O ATOM 0 H1 GLY A 1 1.310 13.077 -24.920 1.00 0.00 H new ATOM 0 H2 GLY A 1 0.841 12.750 -23.321 1.00 0.00 H new ATOM 0 H3 GLY A 1 2.233 12.020 -23.963 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -0.534 11.573 -24.893 1.00 0.00 H new ATOM 0 HA3 GLY A 1 0.903 10.820 -25.556 1.00 0.00 H new ATOM 8 N SER A 2 0.660 8.911 -24.007 1.00 0.00 N ATOM 9 CA SER A 2 0.621 7.773 -23.104 1.00 0.00 C ATOM 10 C SER A 2 -0.805 7.560 -22.592 1.00 0.00 C ATOM 11 O SER A 2 -1.170 8.066 -21.532 1.00 0.00 O ATOM 12 CB SER A 2 1.583 7.969 -21.930 1.00 0.00 C ATOM 13 OG SER A 2 2.944 7.978 -22.351 1.00 0.00 O ATOM 0 H SER A 2 0.909 8.683 -24.969 1.00 0.00 H new ATOM 0 HA SER A 2 0.938 6.888 -23.655 1.00 0.00 H new ATOM 0 HB2 SER A 2 1.353 8.908 -21.426 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.434 7.171 -21.202 1.00 0.00 H new ATOM 0 HG SER A 2 3.526 8.107 -21.573 1.00 0.00 H new ATOM 19 N SER A 3 -1.573 6.810 -23.369 1.00 0.00 N ATOM 20 CA SER A 3 -2.950 6.524 -23.008 1.00 0.00 C ATOM 21 C SER A 3 -3.009 5.923 -21.602 1.00 0.00 C ATOM 22 O SER A 3 -2.370 4.907 -21.331 1.00 0.00 O ATOM 23 CB SER A 3 -3.599 5.576 -24.018 1.00 0.00 C ATOM 24 OG SER A 3 -3.867 6.222 -25.261 1.00 0.00 O ATOM 0 H SER A 3 -1.267 6.392 -24.248 1.00 0.00 H new ATOM 0 HA SER A 3 -3.508 7.461 -23.019 1.00 0.00 H new ATOM 0 HB2 SER A 3 -2.943 4.722 -24.187 1.00 0.00 H new ATOM 0 HB3 SER A 3 -4.529 5.186 -23.604 1.00 0.00 H new ATOM 0 HG SER A 3 -4.279 5.583 -25.879 1.00 0.00 H new ATOM 30 N GLY A 4 -3.781 6.575 -20.746 1.00 0.00 N ATOM 31 CA GLY A 4 -3.930 6.117 -19.375 1.00 0.00 C ATOM 32 C GLY A 4 -5.245 5.355 -19.192 1.00 0.00 C ATOM 33 O GLY A 4 -5.443 4.299 -19.792 1.00 0.00 O ATOM 0 H GLY A 4 -4.310 7.417 -20.975 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -3.092 5.472 -19.110 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -3.903 6.970 -18.698 1.00 0.00 H new ATOM 37 N SER A 5 -6.108 5.920 -18.361 1.00 0.00 N ATOM 38 CA SER A 5 -7.398 5.307 -18.092 1.00 0.00 C ATOM 39 C SER A 5 -7.200 3.910 -17.499 1.00 0.00 C ATOM 40 O SER A 5 -7.315 2.910 -18.206 1.00 0.00 O ATOM 41 CB SER A 5 -8.247 5.229 -19.362 1.00 0.00 C ATOM 42 OG SER A 5 -9.152 6.325 -19.467 1.00 0.00 O ATOM 0 H SER A 5 -5.940 6.795 -17.865 1.00 0.00 H new ATOM 0 HA SER A 5 -7.928 5.929 -17.371 1.00 0.00 H new ATOM 0 HB2 SER A 5 -7.594 5.213 -20.234 1.00 0.00 H new ATOM 0 HB3 SER A 5 -8.808 4.294 -19.367 1.00 0.00 H new ATOM 0 HG SER A 5 -9.675 6.240 -20.292 1.00 0.00 H new ATOM 48 N SER A 6 -6.905 3.886 -16.208 1.00 0.00 N ATOM 49 CA SER A 6 -6.690 2.628 -15.512 1.00 0.00 C ATOM 50 C SER A 6 -6.484 2.885 -14.018 1.00 0.00 C ATOM 51 O SER A 6 -7.187 2.317 -13.184 1.00 0.00 O ATOM 52 CB SER A 6 -5.491 1.876 -16.093 1.00 0.00 C ATOM 53 OG SER A 6 -5.870 1.006 -17.155 1.00 0.00 O ATOM 0 H SER A 6 -6.810 4.718 -15.625 1.00 0.00 H new ATOM 0 HA SER A 6 -7.575 2.006 -15.648 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.755 2.593 -16.457 1.00 0.00 H new ATOM 0 HB3 SER A 6 -5.009 1.297 -15.305 1.00 0.00 H new ATOM 0 HG SER A 6 -6.660 1.368 -17.608 1.00 0.00 H new ATOM 59 N GLY A 7 -5.516 3.741 -13.726 1.00 0.00 N ATOM 60 CA GLY A 7 -5.207 4.080 -12.347 1.00 0.00 C ATOM 61 C GLY A 7 -6.482 4.164 -11.505 1.00 0.00 C ATOM 62 O GLY A 7 -7.332 5.022 -11.742 1.00 0.00 O ATOM 0 H GLY A 7 -4.935 4.210 -14.421 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.537 3.330 -11.926 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.680 5.034 -12.312 1.00 0.00 H new ATOM 66 N TYR A 8 -6.576 3.262 -10.539 1.00 0.00 N ATOM 67 CA TYR A 8 -7.732 3.223 -9.661 1.00 0.00 C ATOM 68 C TYR A 8 -7.470 4.006 -8.373 1.00 0.00 C ATOM 69 O TYR A 8 -6.328 4.355 -8.077 1.00 0.00 O ATOM 70 CB TYR A 8 -7.948 1.749 -9.312 1.00 0.00 C ATOM 71 CG TYR A 8 -8.549 0.922 -10.450 1.00 0.00 C ATOM 72 CD1 TYR A 8 -7.738 0.443 -11.459 1.00 0.00 C ATOM 73 CD2 TYR A 8 -9.903 0.654 -10.468 1.00 0.00 C ATOM 74 CE1 TYR A 8 -8.305 -0.336 -12.530 1.00 0.00 C ATOM 75 CE2 TYR A 8 -10.470 -0.124 -11.539 1.00 0.00 C ATOM 76 CZ TYR A 8 -9.642 -0.581 -12.517 1.00 0.00 C ATOM 77 OH TYR A 8 -10.177 -1.316 -13.529 1.00 0.00 O ATOM 0 H TYR A 8 -5.870 2.552 -10.345 1.00 0.00 H new ATOM 0 HA TYR A 8 -8.599 3.669 -10.149 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -6.993 1.311 -9.023 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -8.604 1.684 -8.444 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -6.679 0.652 -11.446 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -10.538 1.028 -9.678 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -7.682 -0.717 -13.326 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -11.528 -0.340 -11.565 1.00 0.00 H new ATOM 0 HH TYR A 8 -11.142 -1.412 -13.389 1.00 0.00 H new ATOM 87 N SER A 9 -8.545 4.259 -7.643 1.00 0.00 N ATOM 88 CA SER A 9 -8.445 4.995 -6.393 1.00 0.00 C ATOM 89 C SER A 9 -8.898 4.112 -5.229 1.00 0.00 C ATOM 90 O SER A 9 -10.053 3.692 -5.176 1.00 0.00 O ATOM 91 CB SER A 9 -9.277 6.278 -6.442 1.00 0.00 C ATOM 92 OG SER A 9 -9.929 6.445 -7.698 1.00 0.00 O ATOM 0 H SER A 9 -9.490 3.968 -7.892 1.00 0.00 H new ATOM 0 HA SER A 9 -7.403 5.276 -6.243 1.00 0.00 H new ATOM 0 HB2 SER A 9 -10.022 6.257 -5.647 1.00 0.00 H new ATOM 0 HB3 SER A 9 -8.632 7.136 -6.252 1.00 0.00 H new ATOM 0 HG SER A 9 -10.451 7.274 -7.688 1.00 0.00 H new ATOM 98 N VAL A 10 -7.965 3.857 -4.324 1.00 0.00 N ATOM 99 CA VAL A 10 -8.254 3.032 -3.163 1.00 0.00 C ATOM 100 C VAL A 10 -7.803 3.764 -1.897 1.00 0.00 C ATOM 101 O VAL A 10 -7.188 4.826 -1.976 1.00 0.00 O ATOM 102 CB VAL A 10 -7.602 1.657 -3.323 1.00 0.00 C ATOM 103 CG1 VAL A 10 -8.085 0.966 -4.600 1.00 0.00 C ATOM 104 CG2 VAL A 10 -6.076 1.768 -3.304 1.00 0.00 C ATOM 0 H VAL A 10 -7.008 4.207 -4.371 1.00 0.00 H new ATOM 0 HA VAL A 10 -9.327 2.860 -3.074 1.00 0.00 H new ATOM 0 HB VAL A 10 -7.904 1.043 -2.475 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -7.606 -0.009 -4.689 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -9.166 0.837 -4.557 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -7.827 1.578 -5.465 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -5.638 0.777 -3.419 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -5.747 2.408 -4.123 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -5.754 2.199 -2.356 1.00 0.00 H new ATOM 114 N THR A 11 -8.127 3.166 -0.760 1.00 0.00 N ATOM 115 CA THR A 11 -7.763 3.748 0.521 1.00 0.00 C ATOM 116 C THR A 11 -6.817 2.817 1.280 1.00 0.00 C ATOM 117 O THR A 11 -7.064 1.615 1.372 1.00 0.00 O ATOM 118 CB THR A 11 -9.053 4.057 1.284 1.00 0.00 C ATOM 119 OG1 THR A 11 -9.429 5.351 0.821 1.00 0.00 O ATOM 120 CG2 THR A 11 -8.815 4.252 2.782 1.00 0.00 C ATOM 0 H THR A 11 -8.637 2.285 -0.699 1.00 0.00 H new ATOM 0 HA THR A 11 -7.215 4.681 0.390 1.00 0.00 H new ATOM 0 HB THR A 11 -9.767 3.247 1.132 1.00 0.00 H new ATOM 0 HG1 THR A 11 -10.258 5.629 1.264 1.00 0.00 H new ATOM 0 HG21 THR A 11 -9.762 4.469 3.276 1.00 0.00 H new ATOM 0 HG22 THR A 11 -8.386 3.343 3.204 1.00 0.00 H new ATOM 0 HG23 THR A 11 -8.127 5.083 2.936 1.00 0.00 H new ATOM 128 N VAL A 12 -5.752 3.406 1.805 1.00 0.00 N ATOM 129 CA VAL A 12 -4.767 2.644 2.553 1.00 0.00 C ATOM 130 C VAL A 12 -5.051 2.783 4.050 1.00 0.00 C ATOM 131 O VAL A 12 -5.135 3.895 4.569 1.00 0.00 O ATOM 132 CB VAL A 12 -3.356 3.093 2.168 1.00 0.00 C ATOM 133 CG1 VAL A 12 -2.325 2.589 3.181 1.00 0.00 C ATOM 134 CG2 VAL A 12 -3.002 2.634 0.752 1.00 0.00 C ATOM 0 H VAL A 12 -5.550 4.403 1.727 1.00 0.00 H new ATOM 0 HA VAL A 12 -4.835 1.585 2.306 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.336 4.183 2.182 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.330 2.922 2.884 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.561 2.986 4.168 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.349 1.500 3.213 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -1.994 2.966 0.503 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -3.049 1.546 0.700 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -3.710 3.062 0.043 1.00 0.00 H new ATOM 144 N LYS A 13 -5.191 1.638 4.702 1.00 0.00 N ATOM 145 CA LYS A 13 -5.463 1.619 6.129 1.00 0.00 C ATOM 146 C LYS A 13 -4.304 0.934 6.856 1.00 0.00 C ATOM 147 O LYS A 13 -4.102 -0.271 6.713 1.00 0.00 O ATOM 148 CB LYS A 13 -6.826 0.979 6.406 1.00 0.00 C ATOM 149 CG LYS A 13 -7.712 1.913 7.233 1.00 0.00 C ATOM 150 CD LYS A 13 -8.552 1.123 8.238 1.00 0.00 C ATOM 151 CE LYS A 13 -9.864 0.654 7.607 1.00 0.00 C ATOM 152 NZ LYS A 13 -11.010 0.991 8.481 1.00 0.00 N ATOM 0 H LYS A 13 -5.121 0.717 4.268 1.00 0.00 H new ATOM 0 HA LYS A 13 -5.528 2.635 6.518 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -7.320 0.744 5.463 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -6.688 0.037 6.937 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -7.091 2.636 7.762 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -8.367 2.479 6.571 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -7.986 0.261 8.592 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -8.764 1.744 9.108 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -9.993 1.123 6.631 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -9.830 -0.423 7.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -11.892 0.665 8.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -10.893 0.524 9.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -11.051 2.021 8.618 1.00 0.00 H new ATOM 166 N TRP A 14 -3.573 1.732 7.620 1.00 0.00 N ATOM 167 CA TRP A 14 -2.439 1.218 8.370 1.00 0.00 C ATOM 168 C TRP A 14 -2.641 1.583 9.842 1.00 0.00 C ATOM 169 O TRP A 14 -2.349 2.705 10.253 1.00 0.00 O ATOM 170 CB TRP A 14 -1.121 1.743 7.799 1.00 0.00 C ATOM 171 CG TRP A 14 0.122 1.060 8.373 1.00 0.00 C ATOM 172 CD1 TRP A 14 0.319 -0.247 8.590 1.00 0.00 C ATOM 173 CD2 TRP A 14 1.340 1.708 8.797 1.00 0.00 C ATOM 174 NE1 TRP A 14 1.570 -0.489 9.121 1.00 0.00 N ATOM 175 CE2 TRP A 14 2.211 0.738 9.251 1.00 0.00 C ATOM 176 CE3 TRP A 14 1.695 3.068 8.797 1.00 0.00 C ATOM 177 CZ2 TRP A 14 3.491 1.024 9.738 1.00 0.00 C ATOM 178 CZ3 TRP A 14 2.979 3.338 9.287 1.00 0.00 C ATOM 179 CH2 TRP A 14 3.867 2.373 9.747 1.00 0.00 C ATOM 0 H TRP A 14 -3.744 2.731 7.736 1.00 0.00 H new ATOM 0 HA TRP A 14 -2.381 0.133 8.286 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -1.128 1.612 6.717 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -1.055 2.814 7.990 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -0.410 -1.015 8.376 1.00 0.00 H new ATOM 0 HE1 TRP A 14 1.954 -1.400 9.372 1.00 0.00 H new ATOM 0 HE3 TRP A 14 1.030 3.844 8.447 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 4.154 0.246 10.088 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 3.302 4.368 9.309 1.00 0.00 H new ATOM 0 HH2 TRP A 14 4.842 2.662 10.110 1.00 0.00 H new ATOM 190 N GLY A 15 -3.139 0.614 10.596 1.00 0.00 N ATOM 191 CA GLY A 15 -3.383 0.819 12.014 1.00 0.00 C ATOM 192 C GLY A 15 -3.891 2.237 12.283 1.00 0.00 C ATOM 193 O GLY A 15 -4.843 2.691 11.649 1.00 0.00 O ATOM 0 H GLY A 15 -3.380 -0.315 10.252 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -4.114 0.093 12.370 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -2.464 0.646 12.574 1.00 0.00 H new ATOM 197 N LYS A 16 -3.234 2.899 13.224 1.00 0.00 N ATOM 198 CA LYS A 16 -3.606 4.256 13.585 1.00 0.00 C ATOM 199 C LYS A 16 -3.455 5.164 12.363 1.00 0.00 C ATOM 200 O LYS A 16 -4.216 6.115 12.193 1.00 0.00 O ATOM 201 CB LYS A 16 -2.808 4.725 14.802 1.00 0.00 C ATOM 202 CG LYS A 16 -1.307 4.736 14.503 1.00 0.00 C ATOM 203 CD LYS A 16 -0.596 3.590 15.226 1.00 0.00 C ATOM 204 CE LYS A 16 0.586 3.073 14.404 1.00 0.00 C ATOM 205 NZ LYS A 16 0.587 1.593 14.371 1.00 0.00 N ATOM 0 H LYS A 16 -2.445 2.520 13.748 1.00 0.00 H new ATOM 0 HA LYS A 16 -4.653 4.297 13.885 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -3.132 5.725 15.091 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -3.009 4.068 15.648 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.146 4.649 13.429 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -0.878 5.689 14.813 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -0.245 3.932 16.200 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -1.300 2.778 15.408 1.00 0.00 H new ATOM 0 HE2 LYS A 16 0.530 3.465 13.389 1.00 0.00 H new ATOM 0 HE3 LYS A 16 1.521 3.434 14.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 1.396 1.259 13.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 0.663 1.224 15.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -0.297 1.255 13.940 1.00 0.00 H new ATOM 219 N GLU A 17 -2.466 4.838 11.543 1.00 0.00 N ATOM 220 CA GLU A 17 -2.205 5.612 10.341 1.00 0.00 C ATOM 221 C GLU A 17 -3.330 5.411 9.324 1.00 0.00 C ATOM 222 O GLU A 17 -3.857 4.307 9.186 1.00 0.00 O ATOM 223 CB GLU A 17 -0.848 5.246 9.737 1.00 0.00 C ATOM 224 CG GLU A 17 0.298 5.737 10.624 1.00 0.00 C ATOM 225 CD GLU A 17 0.126 7.217 10.972 1.00 0.00 C ATOM 226 OE1 GLU A 17 0.348 8.043 10.061 1.00 0.00 O ATOM 227 OE2 GLU A 17 -0.222 7.488 12.141 1.00 0.00 O ATOM 0 H GLU A 17 -1.836 4.049 11.687 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.172 6.667 10.613 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.780 4.165 9.615 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.758 5.686 8.744 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.333 5.146 11.539 1.00 0.00 H new ATOM 0 HG3 GLU A 17 1.249 5.588 10.112 1.00 0.00 H new ATOM 234 N LYS A 18 -3.666 6.493 8.639 1.00 0.00 N ATOM 235 CA LYS A 18 -4.720 6.449 7.639 1.00 0.00 C ATOM 236 C LYS A 18 -4.345 7.362 6.469 1.00 0.00 C ATOM 237 O LYS A 18 -3.959 8.512 6.673 1.00 0.00 O ATOM 238 CB LYS A 18 -6.073 6.783 8.270 1.00 0.00 C ATOM 239 CG LYS A 18 -7.161 6.908 7.202 1.00 0.00 C ATOM 240 CD LYS A 18 -8.445 6.201 7.642 1.00 0.00 C ATOM 241 CE LYS A 18 -9.107 6.942 8.805 1.00 0.00 C ATOM 242 NZ LYS A 18 -10.533 6.561 8.917 1.00 0.00 N ATOM 0 H LYS A 18 -3.227 7.406 8.756 1.00 0.00 H new ATOM 0 HA LYS A 18 -4.822 5.441 7.238 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -6.347 6.006 8.984 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -5.997 7.716 8.828 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -7.369 7.961 7.011 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -6.807 6.477 6.265 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -9.138 6.141 6.803 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -8.217 5.178 7.940 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -8.588 6.709 9.735 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -9.023 8.018 8.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -10.968 7.073 9.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -11.028 6.805 8.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -10.607 5.537 9.083 1.00 0.00 H new ATOM 256 N PHE A 19 -4.473 6.815 5.269 1.00 0.00 N ATOM 257 CA PHE A 19 -4.153 7.566 4.067 1.00 0.00 C ATOM 258 C PHE A 19 -5.292 7.481 3.048 1.00 0.00 C ATOM 259 O PHE A 19 -5.540 6.421 2.476 1.00 0.00 O ATOM 260 CB PHE A 19 -2.898 6.931 3.464 1.00 0.00 C ATOM 261 CG PHE A 19 -1.783 6.672 4.480 1.00 0.00 C ATOM 262 CD1 PHE A 19 -1.849 5.589 5.300 1.00 0.00 C ATOM 263 CD2 PHE A 19 -0.726 7.524 4.562 1.00 0.00 C ATOM 264 CE1 PHE A 19 -0.814 5.349 6.242 1.00 0.00 C ATOM 265 CE2 PHE A 19 0.309 7.284 5.504 1.00 0.00 C ATOM 266 CZ PHE A 19 0.243 6.201 6.324 1.00 0.00 C ATOM 0 H PHE A 19 -4.794 5.861 5.103 1.00 0.00 H new ATOM 0 HA PHE A 19 -4.000 8.616 4.314 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -3.172 5.988 2.992 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.515 7.582 2.678 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -2.688 4.912 5.235 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -0.674 8.384 3.910 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -0.866 4.489 6.894 1.00 0.00 H new ATOM 0 HE2 PHE A 19 1.148 7.961 5.569 1.00 0.00 H new ATOM 0 HZ PHE A 19 1.030 6.017 7.040 1.00 0.00 H new ATOM 276 N GLU A 20 -5.953 8.612 2.853 1.00 0.00 N ATOM 277 CA GLU A 20 -7.059 8.680 1.913 1.00 0.00 C ATOM 278 C GLU A 20 -6.636 9.427 0.647 1.00 0.00 C ATOM 279 O GLU A 20 -6.074 10.518 0.725 1.00 0.00 O ATOM 280 CB GLU A 20 -8.283 9.337 2.554 1.00 0.00 C ATOM 281 CG GLU A 20 -8.783 8.520 3.747 1.00 0.00 C ATOM 282 CD GLU A 20 -10.185 8.965 4.168 1.00 0.00 C ATOM 283 OE1 GLU A 20 -11.121 8.719 3.376 1.00 0.00 O ATOM 284 OE2 GLU A 20 -10.290 9.541 5.272 1.00 0.00 O ATOM 0 H GLU A 20 -5.744 9.489 3.330 1.00 0.00 H new ATOM 0 HA GLU A 20 -7.336 7.663 1.635 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -8.030 10.346 2.880 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -9.078 9.432 1.815 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -8.796 7.461 3.487 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -8.095 8.634 4.584 1.00 0.00 H new ATOM 291 N GLY A 21 -6.922 8.809 -0.490 1.00 0.00 N ATOM 292 CA GLY A 21 -6.577 9.402 -1.771 1.00 0.00 C ATOM 293 C GLY A 21 -5.210 8.912 -2.251 1.00 0.00 C ATOM 294 O GLY A 21 -4.326 9.717 -2.542 1.00 0.00 O ATOM 0 H GLY A 21 -7.389 7.904 -0.551 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -7.338 9.149 -2.510 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -6.567 10.488 -1.682 1.00 0.00 H new ATOM 298 N VAL A 22 -5.079 7.596 -2.320 1.00 0.00 N ATOM 299 CA VAL A 22 -3.834 6.990 -2.761 1.00 0.00 C ATOM 300 C VAL A 22 -3.971 6.556 -4.221 1.00 0.00 C ATOM 301 O VAL A 22 -4.981 5.969 -4.606 1.00 0.00 O ATOM 302 CB VAL A 22 -3.454 5.837 -1.828 1.00 0.00 C ATOM 303 CG1 VAL A 22 -2.228 5.088 -2.354 1.00 0.00 C ATOM 304 CG2 VAL A 22 -3.219 6.340 -0.402 1.00 0.00 C ATOM 0 H VAL A 22 -5.814 6.932 -2.078 1.00 0.00 H new ATOM 0 HA VAL A 22 -3.020 7.713 -2.712 1.00 0.00 H new ATOM 0 HB VAL A 22 -4.289 5.137 -1.803 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.979 4.274 -1.673 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -2.446 4.681 -3.341 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -1.384 5.774 -2.423 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.951 5.501 0.240 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -2.410 7.070 -0.402 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -4.129 6.808 -0.026 1.00 0.00 H new ATOM 314 N GLU A 23 -2.941 6.862 -4.996 1.00 0.00 N ATOM 315 CA GLU A 23 -2.934 6.512 -6.406 1.00 0.00 C ATOM 316 C GLU A 23 -2.501 5.056 -6.589 1.00 0.00 C ATOM 317 O GLU A 23 -1.491 4.630 -6.030 1.00 0.00 O ATOM 318 CB GLU A 23 -2.031 7.456 -7.202 1.00 0.00 C ATOM 319 CG GLU A 23 -0.555 7.172 -6.919 1.00 0.00 C ATOM 320 CD GLU A 23 0.233 8.473 -6.759 1.00 0.00 C ATOM 321 OE1 GLU A 23 0.075 9.105 -5.692 1.00 0.00 O ATOM 322 OE2 GLU A 23 0.977 8.807 -7.706 1.00 0.00 O ATOM 0 H GLU A 23 -2.105 7.349 -4.674 1.00 0.00 H new ATOM 0 HA GLU A 23 -3.948 6.621 -6.792 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.229 7.342 -8.268 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.262 8.490 -6.944 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -0.464 6.574 -6.013 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -0.132 6.584 -7.733 1.00 0.00 H new ATOM 329 N LEU A 24 -3.287 4.332 -7.373 1.00 0.00 N ATOM 330 CA LEU A 24 -2.997 2.933 -7.636 1.00 0.00 C ATOM 331 C LEU A 24 -3.143 2.659 -9.134 1.00 0.00 C ATOM 332 O LEU A 24 -3.938 3.308 -9.812 1.00 0.00 O ATOM 333 CB LEU A 24 -3.867 2.031 -6.758 1.00 0.00 C ATOM 334 CG LEU A 24 -4.148 0.630 -7.307 1.00 0.00 C ATOM 335 CD1 LEU A 24 -3.157 -0.389 -6.740 1.00 0.00 C ATOM 336 CD2 LEU A 24 -5.600 0.222 -7.050 1.00 0.00 C ATOM 0 H LEU A 24 -4.124 4.688 -7.834 1.00 0.00 H new ATOM 0 HA LEU A 24 -1.966 2.701 -7.368 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -3.384 1.929 -5.786 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.820 2.532 -6.589 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.006 0.651 -8.388 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -3.378 -1.376 -7.146 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.142 -0.102 -7.016 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.244 -0.415 -5.654 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -5.773 -0.777 -7.450 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.794 0.222 -5.977 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.269 0.930 -7.540 1.00 0.00 H new ATOM 348 N ASN A 25 -2.364 1.697 -9.607 1.00 0.00 N ATOM 349 CA ASN A 25 -2.397 1.330 -11.012 1.00 0.00 C ATOM 350 C ASN A 25 -2.541 -0.188 -11.135 1.00 0.00 C ATOM 351 O ASN A 25 -2.044 -0.933 -10.292 1.00 0.00 O ATOM 352 CB ASN A 25 -1.103 1.740 -11.719 1.00 0.00 C ATOM 353 CG ASN A 25 0.122 1.353 -10.889 1.00 0.00 C ATOM 354 OD1 ASN A 25 0.362 0.045 -10.855 1.00 0.00 O flip ATOM 355 ND2 ASN A 25 0.805 2.186 -10.316 1.00 0.00 N flip ATOM 0 H ASN A 25 -1.706 1.161 -9.042 1.00 0.00 H new ATOM 0 HA ASN A 25 -3.240 1.844 -11.475 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -1.051 1.260 -12.696 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -1.104 2.816 -11.892 1.00 0.00 H new ATOM 0 HD21 ASN A 25 0.566 3.175 -10.383 1.00 0.00 H new ATOM 0 HD22 ASN A 25 1.615 1.893 -9.770 1.00 0.00 H new ATOM 362 N THR A 26 -3.225 -0.602 -12.191 1.00 0.00 N ATOM 363 CA THR A 26 -3.442 -2.018 -12.435 1.00 0.00 C ATOM 364 C THR A 26 -2.684 -2.465 -13.687 1.00 0.00 C ATOM 365 O THR A 26 -2.333 -3.637 -13.819 1.00 0.00 O ATOM 366 CB THR A 26 -4.950 -2.257 -12.520 1.00 0.00 C ATOM 367 OG1 THR A 26 -5.414 -1.242 -13.405 1.00 0.00 O ATOM 368 CG2 THR A 26 -5.666 -1.958 -11.201 1.00 0.00 C ATOM 0 H THR A 26 -3.637 0.019 -12.888 1.00 0.00 H new ATOM 0 HA THR A 26 -3.048 -2.625 -11.620 1.00 0.00 H new ATOM 0 HB THR A 26 -5.137 -3.292 -12.808 1.00 0.00 H new ATOM 0 HG1 THR A 26 -6.053 -0.666 -12.936 1.00 0.00 H new ATOM 0 HG21 THR A 26 -6.734 -2.144 -11.316 1.00 0.00 H new ATOM 0 HG22 THR A 26 -5.268 -2.602 -10.417 1.00 0.00 H new ATOM 0 HG23 THR A 26 -5.507 -0.915 -10.929 1.00 0.00 H new ATOM 376 N ASP A 27 -2.455 -1.509 -14.575 1.00 0.00 N ATOM 377 CA ASP A 27 -1.746 -1.789 -15.811 1.00 0.00 C ATOM 378 C ASP A 27 -0.365 -2.362 -15.483 1.00 0.00 C ATOM 379 O ASP A 27 0.225 -3.072 -16.296 1.00 0.00 O ATOM 380 CB ASP A 27 -1.546 -0.515 -16.633 1.00 0.00 C ATOM 381 CG ASP A 27 -2.398 -0.422 -17.901 1.00 0.00 C ATOM 382 OD1 ASP A 27 -2.083 -1.169 -18.852 1.00 0.00 O ATOM 383 OD2 ASP A 27 -3.346 0.393 -17.889 1.00 0.00 O ATOM 0 H ASP A 27 -2.748 -0.539 -14.463 1.00 0.00 H new ATOM 0 HA ASP A 27 -2.340 -2.499 -16.386 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -1.767 0.345 -16.001 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -0.495 -0.443 -16.914 1.00 0.00 H new ATOM 388 N GLU A 28 0.110 -2.031 -14.291 1.00 0.00 N ATOM 389 CA GLU A 28 1.410 -2.503 -13.846 1.00 0.00 C ATOM 390 C GLU A 28 1.244 -3.619 -12.813 1.00 0.00 C ATOM 391 O GLU A 28 0.123 -4.019 -12.500 1.00 0.00 O ATOM 392 CB GLU A 28 2.247 -1.353 -13.283 1.00 0.00 C ATOM 393 CG GLU A 28 1.626 0.000 -13.633 1.00 0.00 C ATOM 394 CD GLU A 28 1.438 0.143 -15.145 1.00 0.00 C ATOM 395 OE1 GLU A 28 1.718 -0.852 -15.847 1.00 0.00 O ATOM 396 OE2 GLU A 28 1.019 1.244 -15.563 1.00 0.00 O ATOM 0 H GLU A 28 -0.382 -1.442 -13.620 1.00 0.00 H new ATOM 0 HA GLU A 28 1.943 -2.908 -14.706 1.00 0.00 H new ATOM 0 HB2 GLU A 28 2.325 -1.452 -12.200 1.00 0.00 H new ATOM 0 HB3 GLU A 28 3.260 -1.406 -13.682 1.00 0.00 H new ATOM 0 HG2 GLU A 28 0.663 0.103 -13.132 1.00 0.00 H new ATOM 0 HG3 GLU A 28 2.264 0.803 -13.265 1.00 0.00 H new ATOM 403 N PRO A 29 2.406 -4.102 -12.297 1.00 0.00 N ATOM 404 CA PRO A 29 2.400 -5.164 -11.305 1.00 0.00 C ATOM 405 C PRO A 29 1.973 -4.632 -9.936 1.00 0.00 C ATOM 406 O PRO A 29 1.966 -3.423 -9.710 1.00 0.00 O ATOM 407 CB PRO A 29 3.816 -5.717 -11.313 1.00 0.00 C ATOM 408 CG PRO A 29 4.677 -4.649 -11.965 1.00 0.00 C ATOM 409 CD PRO A 29 3.751 -3.653 -12.644 1.00 0.00 C ATOM 0 HA PRO A 29 1.679 -5.949 -11.533 1.00 0.00 H new ATOM 0 HB2 PRO A 29 4.158 -5.930 -10.300 1.00 0.00 H new ATOM 0 HB3 PRO A 29 3.867 -6.653 -11.869 1.00 0.00 H new ATOM 0 HG2 PRO A 29 5.294 -4.149 -11.219 1.00 0.00 H new ATOM 0 HG3 PRO A 29 5.355 -5.097 -12.692 1.00 0.00 H new ATOM 0 HD2 PRO A 29 3.933 -2.638 -12.291 1.00 0.00 H new ATOM 0 HD3 PRO A 29 3.900 -3.646 -13.724 1.00 0.00 H new ATOM 417 N PRO A 30 1.619 -5.587 -9.034 1.00 0.00 N ATOM 418 CA PRO A 30 1.192 -5.227 -7.692 1.00 0.00 C ATOM 419 C PRO A 30 2.385 -4.807 -6.831 1.00 0.00 C ATOM 420 O PRO A 30 2.209 -4.311 -5.720 1.00 0.00 O ATOM 421 CB PRO A 30 0.481 -6.461 -7.161 1.00 0.00 C ATOM 422 CG PRO A 30 0.938 -7.615 -8.038 1.00 0.00 C ATOM 423 CD PRO A 30 1.615 -7.028 -9.266 1.00 0.00 C ATOM 0 HA PRO A 30 0.526 -4.364 -7.680 1.00 0.00 H new ATOM 0 HB2 PRO A 30 0.736 -6.640 -6.116 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -0.601 -6.339 -7.209 1.00 0.00 H new ATOM 0 HG2 PRO A 30 1.628 -8.259 -7.493 1.00 0.00 H new ATOM 0 HG3 PRO A 30 0.089 -8.233 -8.329 1.00 0.00 H new ATOM 0 HD2 PRO A 30 2.628 -7.413 -9.382 1.00 0.00 H new ATOM 0 HD3 PRO A 30 1.072 -7.281 -10.177 1.00 0.00 H new ATOM 431 N MET A 31 3.573 -5.022 -7.377 1.00 0.00 N ATOM 432 CA MET A 31 4.794 -4.673 -6.673 1.00 0.00 C ATOM 433 C MET A 31 4.920 -3.156 -6.512 1.00 0.00 C ATOM 434 O MET A 31 5.474 -2.677 -5.524 1.00 0.00 O ATOM 435 CB MET A 31 6.001 -5.206 -7.448 1.00 0.00 C ATOM 436 CG MET A 31 5.823 -6.686 -7.790 1.00 0.00 C ATOM 437 SD MET A 31 7.405 -7.512 -7.772 1.00 0.00 S ATOM 438 CE MET A 31 7.841 -7.309 -6.053 1.00 0.00 C ATOM 0 H MET A 31 3.715 -5.434 -8.299 1.00 0.00 H new ATOM 0 HA MET A 31 4.760 -5.123 -5.681 1.00 0.00 H new ATOM 0 HB2 MET A 31 6.132 -4.631 -8.364 1.00 0.00 H new ATOM 0 HB3 MET A 31 6.906 -5.072 -6.855 1.00 0.00 H new ATOM 0 HG2 MET A 31 5.150 -7.155 -7.072 1.00 0.00 H new ATOM 0 HG3 MET A 31 5.362 -6.788 -8.772 1.00 0.00 H new ATOM 0 HE1 MET A 31 8.368 -8.197 -5.704 1.00 0.00 H new ATOM 0 HE2 MET A 31 8.485 -6.437 -5.942 1.00 0.00 H new ATOM 0 HE3 MET A 31 6.936 -7.169 -5.462 1.00 0.00 H new ATOM 448 N VAL A 32 4.396 -2.444 -7.499 1.00 0.00 N ATOM 449 CA VAL A 32 4.443 -0.991 -7.479 1.00 0.00 C ATOM 450 C VAL A 32 3.619 -0.475 -6.298 1.00 0.00 C ATOM 451 O VAL A 32 4.147 0.203 -5.417 1.00 0.00 O ATOM 452 CB VAL A 32 3.973 -0.435 -8.824 1.00 0.00 C ATOM 453 CG1 VAL A 32 3.973 1.095 -8.815 1.00 0.00 C ATOM 454 CG2 VAL A 32 4.829 -0.976 -9.971 1.00 0.00 C ATOM 0 H VAL A 32 3.937 -2.845 -8.317 1.00 0.00 H new ATOM 0 HA VAL A 32 5.466 -0.643 -7.338 1.00 0.00 H new ATOM 0 HB VAL A 32 2.948 -0.769 -8.984 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.635 1.465 -9.783 1.00 0.00 H new ATOM 0 HG12 VAL A 32 3.302 1.454 -8.035 1.00 0.00 H new ATOM 0 HG13 VAL A 32 4.982 1.458 -8.621 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.473 -0.565 -10.916 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.868 -0.686 -9.817 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.756 -2.063 -9.998 1.00 0.00 H new ATOM 464 N PHE A 33 2.339 -0.815 -6.317 1.00 0.00 N ATOM 465 CA PHE A 33 1.437 -0.394 -5.258 1.00 0.00 C ATOM 466 C PHE A 33 2.057 -0.638 -3.880 1.00 0.00 C ATOM 467 O PHE A 33 1.871 0.159 -2.962 1.00 0.00 O ATOM 468 CB PHE A 33 0.167 -1.238 -5.390 1.00 0.00 C ATOM 469 CG PHE A 33 -0.928 -0.876 -4.385 1.00 0.00 C ATOM 470 CD1 PHE A 33 -1.546 0.333 -4.459 1.00 0.00 C ATOM 471 CD2 PHE A 33 -1.282 -1.763 -3.417 1.00 0.00 C ATOM 472 CE1 PHE A 33 -2.563 0.669 -3.526 1.00 0.00 C ATOM 473 CE2 PHE A 33 -2.299 -1.427 -2.484 1.00 0.00 C ATOM 474 CZ PHE A 33 -2.918 -0.218 -2.558 1.00 0.00 C ATOM 0 H PHE A 33 1.905 -1.377 -7.049 1.00 0.00 H new ATOM 0 HA PHE A 33 1.228 0.672 -5.349 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -0.229 -1.125 -6.399 1.00 0.00 H new ATOM 0 HB3 PHE A 33 0.427 -2.289 -5.265 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -1.264 1.038 -5.227 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -0.790 -2.723 -3.358 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -3.054 1.629 -3.585 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -2.581 -2.132 -1.716 1.00 0.00 H new ATOM 0 HZ PHE A 33 -3.691 0.037 -1.848 1.00 0.00 H new ATOM 484 N LYS A 34 2.780 -1.744 -3.780 1.00 0.00 N ATOM 485 CA LYS A 34 3.428 -2.103 -2.530 1.00 0.00 C ATOM 486 C LYS A 34 4.678 -1.241 -2.342 1.00 0.00 C ATOM 487 O LYS A 34 5.068 -0.945 -1.214 1.00 0.00 O ATOM 488 CB LYS A 34 3.706 -3.607 -2.484 1.00 0.00 C ATOM 489 CG LYS A 34 2.428 -4.392 -2.179 1.00 0.00 C ATOM 490 CD LYS A 34 2.747 -5.849 -1.840 1.00 0.00 C ATOM 491 CE LYS A 34 1.499 -6.726 -1.962 1.00 0.00 C ATOM 492 NZ LYS A 34 1.524 -7.806 -0.950 1.00 0.00 N ATOM 0 H LYS A 34 2.931 -2.403 -4.544 1.00 0.00 H new ATOM 0 HA LYS A 34 2.769 -1.897 -1.687 1.00 0.00 H new ATOM 0 HB2 LYS A 34 4.118 -3.934 -3.439 1.00 0.00 H new ATOM 0 HB3 LYS A 34 4.457 -3.818 -1.723 1.00 0.00 H new ATOM 0 HG2 LYS A 34 1.902 -3.928 -1.345 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.759 -4.353 -3.039 1.00 0.00 H new ATOM 0 HD2 LYS A 34 3.524 -6.220 -2.509 1.00 0.00 H new ATOM 0 HD3 LYS A 34 3.143 -5.912 -0.826 1.00 0.00 H new ATOM 0 HE2 LYS A 34 0.605 -6.117 -1.830 1.00 0.00 H new ATOM 0 HE3 LYS A 34 1.447 -7.157 -2.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 0.601 -8.286 -0.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 2.266 -8.492 -1.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 1.722 -7.400 -0.013 1.00 0.00 H new ATOM 506 N ALA A 35 5.271 -0.863 -3.465 1.00 0.00 N ATOM 507 CA ALA A 35 6.468 -0.040 -3.439 1.00 0.00 C ATOM 508 C ALA A 35 6.106 1.365 -2.952 1.00 0.00 C ATOM 509 O ALA A 35 6.931 2.048 -2.348 1.00 0.00 O ATOM 510 CB ALA A 35 7.111 -0.029 -4.827 1.00 0.00 C ATOM 0 H ALA A 35 4.945 -1.112 -4.399 1.00 0.00 H new ATOM 0 HA ALA A 35 7.201 -0.451 -2.744 1.00 0.00 H new ATOM 0 HB1 ALA A 35 8.009 0.589 -4.807 1.00 0.00 H new ATOM 0 HB2 ALA A 35 7.377 -1.047 -5.113 1.00 0.00 H new ATOM 0 HB3 ALA A 35 6.406 0.379 -5.551 1.00 0.00 H new ATOM 516 N GLN A 36 4.872 1.754 -3.234 1.00 0.00 N ATOM 517 CA GLN A 36 4.390 3.065 -2.834 1.00 0.00 C ATOM 518 C GLN A 36 4.019 3.063 -1.349 1.00 0.00 C ATOM 519 O GLN A 36 4.406 3.965 -0.608 1.00 0.00 O ATOM 520 CB GLN A 36 3.204 3.501 -3.695 1.00 0.00 C ATOM 521 CG GLN A 36 2.575 4.786 -3.154 1.00 0.00 C ATOM 522 CD GLN A 36 1.082 4.846 -3.480 1.00 0.00 C ATOM 523 OE1 GLN A 36 0.401 3.769 -3.099 1.00 0.00 O flip ATOM 524 NE2 GLN A 36 0.581 5.807 -4.041 1.00 0.00 N flip ATOM 0 H GLN A 36 4.191 1.184 -3.735 1.00 0.00 H new ATOM 0 HA GLN A 36 5.192 3.787 -2.988 1.00 0.00 H new ATOM 0 HB2 GLN A 36 3.534 3.658 -4.722 1.00 0.00 H new ATOM 0 HB3 GLN A 36 2.456 2.708 -3.718 1.00 0.00 H new ATOM 0 HG2 GLN A 36 2.717 4.838 -2.075 1.00 0.00 H new ATOM 0 HG3 GLN A 36 3.080 5.651 -3.584 1.00 0.00 H new ATOM 0 HE21 GLN A 36 1.162 6.602 -4.307 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -0.419 5.815 -4.244 1.00 0.00 H new ATOM 533 N LEU A 37 3.273 2.040 -0.960 1.00 0.00 N ATOM 534 CA LEU A 37 2.844 1.908 0.422 1.00 0.00 C ATOM 535 C LEU A 37 4.073 1.910 1.334 1.00 0.00 C ATOM 536 O LEU A 37 4.010 2.392 2.464 1.00 0.00 O ATOM 537 CB LEU A 37 1.954 0.676 0.592 1.00 0.00 C ATOM 538 CG LEU A 37 0.585 0.738 -0.089 1.00 0.00 C ATOM 539 CD1 LEU A 37 -0.384 -0.267 0.537 1.00 0.00 C ATOM 540 CD2 LEU A 37 0.027 2.162 -0.068 1.00 0.00 C ATOM 0 H LEU A 37 2.954 1.294 -1.578 1.00 0.00 H new ATOM 0 HA LEU A 37 2.228 2.759 0.713 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.490 -0.191 0.207 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.800 0.508 1.658 1.00 0.00 H new ATOM 0 HG LEU A 37 0.710 0.457 -1.135 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.349 -0.203 0.035 1.00 0.00 H new ATOM 0 HD12 LEU A 37 0.016 -1.275 0.427 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.510 -0.040 1.596 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -0.946 2.179 -0.558 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.081 2.495 0.964 1.00 0.00 H new ATOM 0 HD23 LEU A 37 0.710 2.828 -0.595 1.00 0.00 H new ATOM 552 N PHE A 38 5.161 1.366 0.810 1.00 0.00 N ATOM 553 CA PHE A 38 6.402 1.299 1.563 1.00 0.00 C ATOM 554 C PHE A 38 6.858 2.695 1.992 1.00 0.00 C ATOM 555 O PHE A 38 7.462 2.856 3.052 1.00 0.00 O ATOM 556 CB PHE A 38 7.456 0.694 0.634 1.00 0.00 C ATOM 557 CG PHE A 38 8.853 0.607 1.252 1.00 0.00 C ATOM 558 CD1 PHE A 38 8.998 0.577 2.604 1.00 0.00 C ATOM 559 CD2 PHE A 38 9.950 0.560 0.449 1.00 0.00 C ATOM 560 CE1 PHE A 38 10.295 0.497 3.178 1.00 0.00 C ATOM 561 CE2 PHE A 38 11.247 0.479 1.023 1.00 0.00 C ATOM 562 CZ PHE A 38 11.392 0.449 2.375 1.00 0.00 C ATOM 0 H PHE A 38 5.209 0.967 -0.128 1.00 0.00 H new ATOM 0 HA PHE A 38 6.260 0.700 2.462 1.00 0.00 H new ATOM 0 HB2 PHE A 38 7.136 -0.306 0.341 1.00 0.00 H new ATOM 0 HB3 PHE A 38 7.509 1.291 -0.276 1.00 0.00 H new ATOM 0 HD1 PHE A 38 8.127 0.614 3.241 1.00 0.00 H new ATOM 0 HD2 PHE A 38 9.835 0.584 -0.625 1.00 0.00 H new ATOM 0 HE1 PHE A 38 10.410 0.474 4.252 1.00 0.00 H new ATOM 0 HE2 PHE A 38 12.118 0.441 0.386 1.00 0.00 H new ATOM 0 HZ PHE A 38 12.378 0.387 2.811 1.00 0.00 H new ATOM 572 N ALA A 39 6.552 3.669 1.148 1.00 0.00 N ATOM 573 CA ALA A 39 6.924 5.046 1.427 1.00 0.00 C ATOM 574 C ALA A 39 5.777 5.739 2.166 1.00 0.00 C ATOM 575 O ALA A 39 5.941 6.848 2.672 1.00 0.00 O ATOM 576 CB ALA A 39 7.286 5.752 0.119 1.00 0.00 C ATOM 0 H ALA A 39 6.051 3.532 0.270 1.00 0.00 H new ATOM 0 HA ALA A 39 7.802 5.084 2.071 1.00 0.00 H new ATOM 0 HB1 ALA A 39 7.565 6.785 0.328 1.00 0.00 H new ATOM 0 HB2 ALA A 39 8.124 5.238 -0.352 1.00 0.00 H new ATOM 0 HB3 ALA A 39 6.427 5.737 -0.552 1.00 0.00 H new ATOM 582 N LEU A 40 4.642 5.056 2.205 1.00 0.00 N ATOM 583 CA LEU A 40 3.469 5.592 2.873 1.00 0.00 C ATOM 584 C LEU A 40 3.547 5.270 4.367 1.00 0.00 C ATOM 585 O LEU A 40 3.273 6.127 5.206 1.00 0.00 O ATOM 586 CB LEU A 40 2.191 5.087 2.201 1.00 0.00 C ATOM 587 CG LEU A 40 1.948 5.573 0.771 1.00 0.00 C ATOM 588 CD1 LEU A 40 0.535 5.219 0.304 1.00 0.00 C ATOM 589 CD2 LEU A 40 2.236 7.070 0.644 1.00 0.00 C ATOM 0 H LEU A 40 4.510 4.136 1.785 1.00 0.00 H new ATOM 0 HA LEU A 40 3.441 6.678 2.781 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.214 3.997 2.194 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.340 5.384 2.814 1.00 0.00 H new ATOM 0 HG LEU A 40 2.644 5.055 0.111 1.00 0.00 H new ATOM 0 HD11 LEU A 40 0.389 5.576 -0.715 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.403 4.137 0.332 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.195 5.691 0.962 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.055 7.389 -0.382 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.582 7.625 1.317 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.276 7.264 0.907 1.00 0.00 H new ATOM 601 N THR A 41 3.923 4.032 4.654 1.00 0.00 N ATOM 602 CA THR A 41 4.040 3.586 6.032 1.00 0.00 C ATOM 603 C THR A 41 5.512 3.426 6.417 1.00 0.00 C ATOM 604 O THR A 41 5.965 4.003 7.405 1.00 0.00 O ATOM 605 CB THR A 41 3.229 2.298 6.183 1.00 0.00 C ATOM 606 OG1 THR A 41 3.947 1.343 5.405 1.00 0.00 O ATOM 607 CG2 THR A 41 1.862 2.383 5.500 1.00 0.00 C ATOM 0 H THR A 41 4.150 3.324 3.956 1.00 0.00 H new ATOM 0 HA THR A 41 3.634 4.325 6.723 1.00 0.00 H new ATOM 0 HB THR A 41 3.093 2.077 7.242 1.00 0.00 H new ATOM 0 HG1 THR A 41 3.726 1.460 4.458 1.00 0.00 H new ATOM 0 HG21 THR A 41 1.328 1.443 5.637 1.00 0.00 H new ATOM 0 HG22 THR A 41 1.285 3.196 5.941 1.00 0.00 H new ATOM 0 HG23 THR A 41 1.998 2.570 4.435 1.00 0.00 H new ATOM 615 N GLY A 42 6.218 2.641 5.617 1.00 0.00 N ATOM 616 CA GLY A 42 7.629 2.398 5.861 1.00 0.00 C ATOM 617 C GLY A 42 7.937 0.899 5.851 1.00 0.00 C ATOM 618 O GLY A 42 9.090 0.498 6.006 1.00 0.00 O ATOM 0 H GLY A 42 5.839 2.165 4.799 1.00 0.00 H new ATOM 0 HA2 GLY A 42 8.225 2.900 5.099 1.00 0.00 H new ATOM 0 HA3 GLY A 42 7.914 2.825 6.822 1.00 0.00 H new ATOM 622 N VAL A 43 6.887 0.113 5.667 1.00 0.00 N ATOM 623 CA VAL A 43 7.031 -1.333 5.635 1.00 0.00 C ATOM 624 C VAL A 43 7.381 -1.774 4.212 1.00 0.00 C ATOM 625 O VAL A 43 6.834 -1.249 3.243 1.00 0.00 O ATOM 626 CB VAL A 43 5.762 -1.997 6.172 1.00 0.00 C ATOM 627 CG1 VAL A 43 5.933 -3.515 6.262 1.00 0.00 C ATOM 628 CG2 VAL A 43 5.366 -1.408 7.527 1.00 0.00 C ATOM 0 H VAL A 43 5.933 0.450 5.538 1.00 0.00 H new ATOM 0 HA VAL A 43 7.847 -1.651 6.284 1.00 0.00 H new ATOM 0 HB VAL A 43 4.954 -1.792 5.469 1.00 0.00 H new ATOM 0 HG11 VAL A 43 5.016 -3.962 6.647 1.00 0.00 H new ATOM 0 HG12 VAL A 43 6.145 -3.917 5.271 1.00 0.00 H new ATOM 0 HG13 VAL A 43 6.760 -3.749 6.933 1.00 0.00 H new ATOM 0 HG21 VAL A 43 4.461 -1.898 7.886 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.173 -1.567 8.243 1.00 0.00 H new ATOM 0 HG23 VAL A 43 5.182 -0.339 7.419 1.00 0.00 H new ATOM 638 N GLN A 44 8.289 -2.735 4.132 1.00 0.00 N ATOM 639 CA GLN A 44 8.718 -3.254 2.844 1.00 0.00 C ATOM 640 C GLN A 44 7.506 -3.679 2.012 1.00 0.00 C ATOM 641 O GLN A 44 6.447 -3.979 2.561 1.00 0.00 O ATOM 642 CB GLN A 44 9.698 -4.416 3.019 1.00 0.00 C ATOM 643 CG GLN A 44 10.946 -3.970 3.785 1.00 0.00 C ATOM 644 CD GLN A 44 11.925 -3.243 2.861 1.00 0.00 C ATOM 645 OE1 GLN A 44 12.098 -3.586 1.703 1.00 0.00 O ATOM 646 NE2 GLN A 44 12.553 -2.221 3.436 1.00 0.00 N ATOM 0 H GLN A 44 8.740 -3.168 4.938 1.00 0.00 H new ATOM 0 HA GLN A 44 9.240 -2.460 2.310 1.00 0.00 H new ATOM 0 HB2 GLN A 44 9.210 -5.231 3.554 1.00 0.00 H new ATOM 0 HB3 GLN A 44 9.986 -4.804 2.042 1.00 0.00 H new ATOM 0 HG2 GLN A 44 10.658 -3.313 4.605 1.00 0.00 H new ATOM 0 HG3 GLN A 44 11.435 -4.838 4.228 1.00 0.00 H new ATOM 0 HE21 GLN A 44 12.361 -1.988 4.410 1.00 0.00 H new ATOM 0 HE22 GLN A 44 13.226 -1.671 2.903 1.00 0.00 H new ATOM 655 N PRO A 45 7.708 -3.692 0.667 1.00 0.00 N ATOM 656 CA PRO A 45 6.644 -4.076 -0.245 1.00 0.00 C ATOM 657 C PRO A 45 6.427 -5.590 -0.228 1.00 0.00 C ATOM 658 O PRO A 45 5.572 -6.106 -0.946 1.00 0.00 O ATOM 659 CB PRO A 45 7.084 -3.554 -1.603 1.00 0.00 C ATOM 660 CG PRO A 45 8.580 -3.310 -1.492 1.00 0.00 C ATOM 661 CD PRO A 45 8.949 -3.343 -0.018 1.00 0.00 C ATOM 0 HA PRO A 45 5.678 -3.656 0.035 1.00 0.00 H new ATOM 0 HB2 PRO A 45 6.864 -4.276 -2.389 1.00 0.00 H new ATOM 0 HB3 PRO A 45 6.556 -2.635 -1.858 1.00 0.00 H new ATOM 0 HG2 PRO A 45 9.133 -4.072 -2.041 1.00 0.00 H new ATOM 0 HG3 PRO A 45 8.843 -2.347 -1.930 1.00 0.00 H new ATOM 0 HD2 PRO A 45 9.730 -4.078 0.178 1.00 0.00 H new ATOM 0 HD3 PRO A 45 9.328 -2.378 0.317 1.00 0.00 H new ATOM 669 N ALA A 46 7.216 -6.260 0.599 1.00 0.00 N ATOM 670 CA ALA A 46 7.121 -7.705 0.719 1.00 0.00 C ATOM 671 C ALA A 46 6.361 -8.057 2.000 1.00 0.00 C ATOM 672 O ALA A 46 5.418 -8.847 1.969 1.00 0.00 O ATOM 673 CB ALA A 46 8.524 -8.313 0.688 1.00 0.00 C ATOM 0 H ALA A 46 7.924 -5.829 1.193 1.00 0.00 H new ATOM 0 HA ALA A 46 6.565 -8.124 -0.120 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.453 -9.397 0.778 1.00 0.00 H new ATOM 0 HB2 ALA A 46 9.010 -8.058 -0.254 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.110 -7.918 1.518 1.00 0.00 H new ATOM 679 N ARG A 47 6.799 -7.453 3.095 1.00 0.00 N ATOM 680 CA ARG A 47 6.172 -7.693 4.383 1.00 0.00 C ATOM 681 C ARG A 47 4.783 -7.053 4.425 1.00 0.00 C ATOM 682 O ARG A 47 3.889 -7.546 5.111 1.00 0.00 O ATOM 683 CB ARG A 47 7.021 -7.127 5.523 1.00 0.00 C ATOM 684 CG ARG A 47 8.189 -8.059 5.852 1.00 0.00 C ATOM 685 CD ARG A 47 9.302 -7.933 4.809 1.00 0.00 C ATOM 686 NE ARG A 47 10.349 -8.948 5.060 1.00 0.00 N ATOM 687 CZ ARG A 47 11.614 -8.844 4.632 1.00 0.00 C ATOM 688 NH1 ARG A 47 11.998 -7.770 3.930 1.00 0.00 N ATOM 689 NH2 ARG A 47 12.496 -9.815 4.907 1.00 0.00 N ATOM 0 H ARG A 47 7.581 -6.798 3.116 1.00 0.00 H new ATOM 0 HA ARG A 47 6.083 -8.772 4.512 1.00 0.00 H new ATOM 0 HB2 ARG A 47 7.402 -6.145 5.244 1.00 0.00 H new ATOM 0 HB3 ARG A 47 6.401 -6.988 6.409 1.00 0.00 H new ATOM 0 HG2 ARG A 47 8.583 -7.820 6.840 1.00 0.00 H new ATOM 0 HG3 ARG A 47 7.837 -9.090 5.890 1.00 0.00 H new ATOM 0 HD2 ARG A 47 8.890 -8.063 3.808 1.00 0.00 H new ATOM 0 HD3 ARG A 47 9.736 -6.934 4.847 1.00 0.00 H new ATOM 0 HE ARG A 47 10.091 -9.779 5.592 1.00 0.00 H new ATOM 0 HH11 ARG A 47 11.327 -7.031 3.721 1.00 0.00 H new ATOM 0 HH12 ARG A 47 12.961 -7.691 3.604 1.00 0.00 H new ATOM 0 HH21 ARG A 47 12.204 -10.633 5.442 1.00 0.00 H new ATOM 0 HH22 ARG A 47 13.459 -9.736 4.581 1.00 0.00 H new ATOM 703 N GLN A 48 4.645 -5.965 3.682 1.00 0.00 N ATOM 704 CA GLN A 48 3.380 -5.253 3.626 1.00 0.00 C ATOM 705 C GLN A 48 2.265 -6.187 3.152 1.00 0.00 C ATOM 706 O GLN A 48 2.099 -6.403 1.952 1.00 0.00 O ATOM 707 CB GLN A 48 3.484 -4.022 2.723 1.00 0.00 C ATOM 708 CG GLN A 48 3.995 -2.810 3.506 1.00 0.00 C ATOM 709 CD GLN A 48 4.025 -1.560 2.623 1.00 0.00 C ATOM 710 OE1 GLN A 48 3.293 -0.607 2.827 1.00 0.00 O ATOM 711 NE2 GLN A 48 4.912 -1.619 1.633 1.00 0.00 N ATOM 0 H GLN A 48 5.388 -5.559 3.114 1.00 0.00 H new ATOM 0 HA GLN A 48 3.135 -4.908 4.630 1.00 0.00 H new ATOM 0 HB2 GLN A 48 4.156 -4.232 1.891 1.00 0.00 H new ATOM 0 HB3 GLN A 48 2.507 -3.797 2.294 1.00 0.00 H new ATOM 0 HG2 GLN A 48 3.354 -2.634 4.370 1.00 0.00 H new ATOM 0 HG3 GLN A 48 4.995 -3.014 3.887 1.00 0.00 H new ATOM 0 HE21 GLN A 48 5.495 -2.449 1.519 1.00 0.00 H new ATOM 0 HE22 GLN A 48 5.009 -0.835 0.988 1.00 0.00 H new ATOM 720 N LYS A 49 1.530 -6.717 4.118 1.00 0.00 N ATOM 721 CA LYS A 49 0.436 -7.624 3.815 1.00 0.00 C ATOM 722 C LYS A 49 -0.761 -6.819 3.303 1.00 0.00 C ATOM 723 O LYS A 49 -1.559 -6.317 4.093 1.00 0.00 O ATOM 724 CB LYS A 49 0.114 -8.500 5.027 1.00 0.00 C ATOM 725 CG LYS A 49 -0.659 -9.753 4.609 1.00 0.00 C ATOM 726 CD LYS A 49 -1.199 -10.498 5.831 1.00 0.00 C ATOM 727 CE LYS A 49 -1.751 -11.869 5.437 1.00 0.00 C ATOM 728 NZ LYS A 49 -1.111 -12.935 6.239 1.00 0.00 N ATOM 0 H LYS A 49 1.671 -6.536 5.112 1.00 0.00 H new ATOM 0 HA LYS A 49 0.722 -8.313 3.020 1.00 0.00 H new ATOM 0 HB2 LYS A 49 1.038 -8.789 5.527 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -0.473 -7.930 5.747 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -1.485 -9.474 3.955 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -0.007 -10.412 4.036 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -0.405 -10.620 6.568 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -1.984 -9.908 6.304 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -2.830 -11.890 5.588 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -1.574 -12.048 4.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -1.497 -13.859 5.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -0.084 -12.924 6.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -1.301 -12.772 7.248 1.00 0.00 H new ATOM 742 N VAL A 50 -0.847 -6.720 1.985 1.00 0.00 N ATOM 743 CA VAL A 50 -1.932 -5.985 1.359 1.00 0.00 C ATOM 744 C VAL A 50 -3.086 -6.944 1.059 1.00 0.00 C ATOM 745 O VAL A 50 -3.027 -7.711 0.099 1.00 0.00 O ATOM 746 CB VAL A 50 -1.421 -5.257 0.114 1.00 0.00 C ATOM 747 CG1 VAL A 50 -2.495 -4.329 -0.458 1.00 0.00 C ATOM 748 CG2 VAL A 50 -0.136 -4.485 0.419 1.00 0.00 C ATOM 0 H VAL A 50 -0.182 -7.137 1.333 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.313 -5.219 2.034 1.00 0.00 H new ATOM 0 HB VAL A 50 -1.190 -6.008 -0.642 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.106 -3.824 -1.342 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.373 -4.914 -0.731 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -2.772 -3.587 0.291 1.00 0.00 H new ATOM 0 HG21 VAL A 50 0.206 -3.977 -0.483 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -0.330 -3.749 1.199 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.633 -5.179 0.758 1.00 0.00 H new ATOM 758 N MET A 51 -4.108 -6.870 1.898 1.00 0.00 N ATOM 759 CA MET A 51 -5.274 -7.722 1.735 1.00 0.00 C ATOM 760 C MET A 51 -6.175 -7.209 0.610 1.00 0.00 C ATOM 761 O MET A 51 -5.963 -6.114 0.090 1.00 0.00 O ATOM 762 CB MET A 51 -6.065 -7.762 3.044 1.00 0.00 C ATOM 763 CG MET A 51 -5.641 -8.954 3.904 1.00 0.00 C ATOM 764 SD MET A 51 -7.015 -10.074 4.115 1.00 0.00 S ATOM 765 CE MET A 51 -7.033 -10.849 2.507 1.00 0.00 C ATOM 0 H MET A 51 -4.153 -6.233 2.693 1.00 0.00 H new ATOM 0 HA MET A 51 -4.934 -8.724 1.475 1.00 0.00 H new ATOM 0 HB2 MET A 51 -5.908 -6.836 3.597 1.00 0.00 H new ATOM 0 HB3 MET A 51 -7.131 -7.826 2.827 1.00 0.00 H new ATOM 0 HG2 MET A 51 -4.806 -9.474 3.434 1.00 0.00 H new ATOM 0 HG3 MET A 51 -5.292 -8.606 4.876 1.00 0.00 H new ATOM 0 HE1 MET A 51 -7.906 -10.509 1.949 1.00 0.00 H new ATOM 0 HE2 MET A 51 -6.127 -10.580 1.963 1.00 0.00 H new ATOM 0 HE3 MET A 51 -7.077 -11.932 2.625 1.00 0.00 H new ATOM 775 N VAL A 52 -7.161 -8.025 0.266 1.00 0.00 N ATOM 776 CA VAL A 52 -8.095 -7.667 -0.788 1.00 0.00 C ATOM 777 C VAL A 52 -9.520 -7.985 -0.331 1.00 0.00 C ATOM 778 O VAL A 52 -9.721 -8.827 0.543 1.00 0.00 O ATOM 779 CB VAL A 52 -7.712 -8.376 -2.089 1.00 0.00 C ATOM 780 CG1 VAL A 52 -8.533 -7.844 -3.265 1.00 0.00 C ATOM 781 CG2 VAL A 52 -6.213 -8.246 -2.363 1.00 0.00 C ATOM 0 H VAL A 52 -7.333 -8.933 0.698 1.00 0.00 H new ATOM 0 HA VAL A 52 -8.050 -6.597 -0.991 1.00 0.00 H new ATOM 0 HB VAL A 52 -7.940 -9.436 -1.973 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -8.241 -8.364 -4.177 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -9.593 -8.012 -3.074 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -8.351 -6.776 -3.382 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -5.967 -8.758 -3.293 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.949 -7.192 -2.449 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -5.653 -8.695 -1.543 1.00 0.00 H new ATOM 791 N LYS A 53 -10.471 -7.295 -0.942 1.00 0.00 N ATOM 792 CA LYS A 53 -11.872 -7.494 -0.608 1.00 0.00 C ATOM 793 C LYS A 53 -12.093 -8.953 -0.204 1.00 0.00 C ATOM 794 O LYS A 53 -12.803 -9.232 0.761 1.00 0.00 O ATOM 795 CB LYS A 53 -12.767 -7.032 -1.759 1.00 0.00 C ATOM 796 CG LYS A 53 -12.714 -5.511 -1.920 1.00 0.00 C ATOM 797 CD LYS A 53 -14.025 -4.866 -1.468 1.00 0.00 C ATOM 798 CE LYS A 53 -13.796 -3.936 -0.275 1.00 0.00 C ATOM 799 NZ LYS A 53 -14.398 -2.608 -0.530 1.00 0.00 N ATOM 0 H LYS A 53 -10.300 -6.597 -1.666 1.00 0.00 H new ATOM 0 HA LYS A 53 -12.151 -6.880 0.248 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -12.450 -7.510 -2.686 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -13.794 -7.346 -1.574 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -11.886 -5.109 -1.336 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -12.521 -5.259 -2.963 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -14.461 -4.304 -2.294 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -14.741 -5.641 -1.197 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -14.232 -4.373 0.623 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -12.727 -3.828 -0.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -14.039 -1.924 0.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -14.146 -2.291 -1.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -15.433 -2.674 -0.448 1.00 0.00 H new ATOM 813 N GLY A 54 -11.472 -9.844 -0.962 1.00 0.00 N ATOM 814 CA GLY A 54 -11.593 -11.268 -0.695 1.00 0.00 C ATOM 815 C GLY A 54 -10.406 -12.037 -1.279 1.00 0.00 C ATOM 816 O GLY A 54 -10.586 -13.082 -1.902 1.00 0.00 O ATOM 0 H GLY A 54 -10.883 -9.608 -1.761 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -11.647 -11.437 0.380 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -12.522 -11.645 -1.124 1.00 0.00 H new ATOM 820 N GLY A 55 -9.220 -11.491 -1.056 1.00 0.00 N ATOM 821 CA GLY A 55 -8.005 -12.113 -1.552 1.00 0.00 C ATOM 822 C GLY A 55 -6.768 -11.319 -1.127 1.00 0.00 C ATOM 823 O GLY A 55 -6.857 -10.436 -0.275 1.00 0.00 O ATOM 0 H GLY A 55 -9.075 -10.624 -0.538 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -7.934 -13.133 -1.174 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -8.044 -12.178 -2.639 1.00 0.00 H new ATOM 827 N THR A 56 -5.644 -11.661 -1.739 1.00 0.00 N ATOM 828 CA THR A 56 -4.392 -10.990 -1.434 1.00 0.00 C ATOM 829 C THR A 56 -3.751 -10.451 -2.714 1.00 0.00 C ATOM 830 O THR A 56 -3.781 -11.108 -3.753 1.00 0.00 O ATOM 831 CB THR A 56 -3.500 -11.976 -0.677 1.00 0.00 C ATOM 832 OG1 THR A 56 -4.308 -12.406 0.416 1.00 0.00 O ATOM 833 CG2 THR A 56 -2.306 -11.291 -0.009 1.00 0.00 C ATOM 0 H THR A 56 -5.574 -12.394 -2.445 1.00 0.00 H new ATOM 0 HA THR A 56 -4.554 -10.120 -0.797 1.00 0.00 H new ATOM 0 HB THR A 56 -3.142 -12.743 -1.364 1.00 0.00 H new ATOM 0 HG1 THR A 56 -3.807 -13.050 0.960 1.00 0.00 H new ATOM 0 HG21 THR A 56 -1.706 -12.035 0.514 1.00 0.00 H new ATOM 0 HG22 THR A 56 -1.696 -10.801 -0.768 1.00 0.00 H new ATOM 0 HG23 THR A 56 -2.665 -10.548 0.703 1.00 0.00 H new ATOM 841 N LEU A 57 -3.185 -9.258 -2.597 1.00 0.00 N ATOM 842 CA LEU A 57 -2.537 -8.623 -3.732 1.00 0.00 C ATOM 843 C LEU A 57 -1.303 -9.434 -4.129 1.00 0.00 C ATOM 844 O LEU A 57 -0.362 -9.563 -3.348 1.00 0.00 O ATOM 845 CB LEU A 57 -2.235 -7.155 -3.423 1.00 0.00 C ATOM 846 CG LEU A 57 -2.919 -6.125 -4.325 1.00 0.00 C ATOM 847 CD1 LEU A 57 -2.389 -4.717 -4.049 1.00 0.00 C ATOM 848 CD2 LEU A 57 -2.783 -6.511 -5.799 1.00 0.00 C ATOM 0 H LEU A 57 -3.162 -8.715 -1.734 1.00 0.00 H new ATOM 0 HA LEU A 57 -3.203 -8.613 -4.595 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.525 -6.954 -2.391 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.157 -7.005 -3.486 1.00 0.00 H new ATOM 0 HG LEU A 57 -3.984 -6.119 -4.091 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.891 -4.004 -4.703 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -2.581 -4.453 -3.009 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -1.316 -4.689 -4.238 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -3.278 -5.763 -6.418 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -1.727 -6.563 -6.066 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -3.247 -7.483 -5.965 1.00 0.00 H new ATOM 860 N LYS A 58 -1.346 -9.961 -5.344 1.00 0.00 N ATOM 861 CA LYS A 58 -0.243 -10.757 -5.855 1.00 0.00 C ATOM 862 C LYS A 58 1.031 -9.910 -5.861 1.00 0.00 C ATOM 863 O LYS A 58 1.045 -8.799 -5.333 1.00 0.00 O ATOM 864 CB LYS A 58 -0.595 -11.347 -7.222 1.00 0.00 C ATOM 865 CG LYS A 58 -1.482 -12.585 -7.072 1.00 0.00 C ATOM 866 CD LYS A 58 -1.683 -13.281 -8.420 1.00 0.00 C ATOM 867 CE LYS A 58 -3.100 -13.846 -8.539 1.00 0.00 C ATOM 868 NZ LYS A 58 -3.131 -14.966 -9.507 1.00 0.00 N ATOM 0 H LYS A 58 -2.128 -9.852 -5.990 1.00 0.00 H new ATOM 0 HA LYS A 58 -0.056 -11.611 -5.204 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -1.109 -10.598 -7.824 1.00 0.00 H new ATOM 0 HB3 LYS A 58 0.319 -11.612 -7.754 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -1.028 -13.279 -6.364 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -2.449 -12.296 -6.660 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -1.500 -12.574 -9.229 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -0.956 -14.086 -8.530 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -3.444 -14.191 -7.564 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -3.785 -13.061 -8.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -4.100 -15.338 -9.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -2.823 -14.627 -10.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -2.492 -15.721 -9.185 1.00 0.00 H new ATOM 882 N ASP A 59 2.071 -10.467 -6.463 1.00 0.00 N ATOM 883 CA ASP A 59 3.347 -9.777 -6.545 1.00 0.00 C ATOM 884 C ASP A 59 3.813 -9.745 -8.002 1.00 0.00 C ATOM 885 O ASP A 59 4.221 -8.700 -8.505 1.00 0.00 O ATOM 886 CB ASP A 59 4.417 -10.497 -5.722 1.00 0.00 C ATOM 887 CG ASP A 59 3.935 -11.051 -4.380 1.00 0.00 C ATOM 888 OD1 ASP A 59 3.632 -10.219 -3.498 1.00 0.00 O ATOM 889 OD2 ASP A 59 3.882 -12.295 -4.266 1.00 0.00 O ATOM 0 H ASP A 59 2.056 -11.389 -6.899 1.00 0.00 H new ATOM 0 HA ASP A 59 3.210 -8.769 -6.155 1.00 0.00 H new ATOM 0 HB2 ASP A 59 4.818 -11.319 -6.315 1.00 0.00 H new ATOM 0 HB3 ASP A 59 5.239 -9.806 -5.539 1.00 0.00 H new ATOM 894 N ASP A 60 3.737 -10.905 -8.639 1.00 0.00 N ATOM 895 CA ASP A 60 4.146 -11.024 -10.028 1.00 0.00 C ATOM 896 C ASP A 60 3.216 -10.180 -10.903 1.00 0.00 C ATOM 897 O ASP A 60 3.677 -9.344 -11.679 1.00 0.00 O ATOM 898 CB ASP A 60 4.058 -12.474 -10.506 1.00 0.00 C ATOM 899 CG ASP A 60 5.401 -13.196 -10.634 1.00 0.00 C ATOM 900 OD1 ASP A 60 6.211 -13.059 -9.691 1.00 0.00 O ATOM 901 OD2 ASP A 60 5.589 -13.867 -11.671 1.00 0.00 O ATOM 0 H ASP A 60 3.398 -11.770 -8.218 1.00 0.00 H new ATOM 0 HA ASP A 60 5.178 -10.681 -10.106 1.00 0.00 H new ATOM 0 HB2 ASP A 60 3.428 -13.031 -9.813 1.00 0.00 H new ATOM 0 HB3 ASP A 60 3.559 -12.492 -11.475 1.00 0.00 H new ATOM 906 N ASP A 61 1.924 -10.429 -10.748 1.00 0.00 N ATOM 907 CA ASP A 61 0.926 -9.703 -11.514 1.00 0.00 C ATOM 908 C ASP A 61 -0.422 -9.785 -10.795 1.00 0.00 C ATOM 909 O ASP A 61 -0.633 -10.666 -9.963 1.00 0.00 O ATOM 910 CB ASP A 61 0.754 -10.308 -12.909 1.00 0.00 C ATOM 911 CG ASP A 61 1.279 -9.443 -14.058 1.00 0.00 C ATOM 912 OD1 ASP A 61 2.515 -9.436 -14.243 1.00 0.00 O ATOM 913 OD2 ASP A 61 0.432 -8.810 -14.724 1.00 0.00 O ATOM 0 H ASP A 61 1.546 -11.123 -10.103 1.00 0.00 H new ATOM 0 HA ASP A 61 1.260 -8.670 -11.607 1.00 0.00 H new ATOM 0 HB2 ASP A 61 1.264 -11.271 -12.937 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -0.305 -10.504 -13.076 1.00 0.00 H new ATOM 918 N TRP A 62 -1.300 -8.855 -11.141 1.00 0.00 N ATOM 919 CA TRP A 62 -2.621 -8.811 -10.539 1.00 0.00 C ATOM 920 C TRP A 62 -3.405 -10.030 -11.030 1.00 0.00 C ATOM 921 O TRP A 62 -3.987 -10.762 -10.230 1.00 0.00 O ATOM 922 CB TRP A 62 -3.321 -7.486 -10.847 1.00 0.00 C ATOM 923 CG TRP A 62 -2.596 -6.256 -10.297 1.00 0.00 C ATOM 924 CD1 TRP A 62 -1.473 -5.687 -10.756 1.00 0.00 C ATOM 925 CD2 TRP A 62 -2.992 -5.462 -9.160 1.00 0.00 C ATOM 926 NE1 TRP A 62 -1.117 -4.589 -10.000 1.00 0.00 N ATOM 927 CE2 TRP A 62 -2.070 -4.447 -8.998 1.00 0.00 C ATOM 928 CE3 TRP A 62 -4.092 -5.596 -8.295 1.00 0.00 C ATOM 929 CZ2 TRP A 62 -2.155 -3.489 -7.981 1.00 0.00 C ATOM 930 CZ3 TRP A 62 -4.163 -4.631 -7.284 1.00 0.00 C ATOM 931 CH2 TRP A 62 -3.243 -3.603 -7.108 1.00 0.00 C ATOM 0 H TRP A 62 -1.122 -8.126 -11.831 1.00 0.00 H new ATOM 0 HA TRP A 62 -2.551 -8.856 -9.452 1.00 0.00 H new ATOM 0 HB2 TRP A 62 -3.422 -7.383 -11.927 1.00 0.00 H new ATOM 0 HB3 TRP A 62 -4.329 -7.515 -10.434 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -0.916 -6.043 -11.610 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -0.304 -3.991 -10.149 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -4.825 -6.382 -8.402 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -1.421 -2.704 -7.876 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -4.990 -4.689 -6.592 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -3.368 -2.896 -6.301 1.00 0.00 H new ATOM 942 N GLY A 63 -3.396 -10.210 -12.342 1.00 0.00 N ATOM 943 CA GLY A 63 -4.099 -11.328 -12.949 1.00 0.00 C ATOM 944 C GLY A 63 -5.484 -10.903 -13.439 1.00 0.00 C ATOM 945 O GLY A 63 -5.600 -10.089 -14.354 1.00 0.00 O ATOM 0 H GLY A 63 -2.913 -9.601 -13.002 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -3.517 -11.718 -13.784 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -4.198 -12.137 -12.225 1.00 0.00 H new ATOM 949 N ASN A 64 -6.500 -11.473 -12.809 1.00 0.00 N ATOM 950 CA ASN A 64 -7.874 -11.163 -13.169 1.00 0.00 C ATOM 951 C ASN A 64 -8.614 -10.640 -11.937 1.00 0.00 C ATOM 952 O ASN A 64 -9.769 -10.995 -11.704 1.00 0.00 O ATOM 953 CB ASN A 64 -8.607 -12.410 -13.667 1.00 0.00 C ATOM 954 CG ASN A 64 -9.610 -12.055 -14.766 1.00 0.00 C ATOM 955 OD1 ASN A 64 -9.542 -11.008 -15.389 1.00 0.00 O ATOM 956 ND2 ASN A 64 -10.541 -12.982 -14.969 1.00 0.00 N ATOM 0 H ASN A 64 -6.400 -12.148 -12.051 1.00 0.00 H new ATOM 0 HA ASN A 64 -7.854 -10.415 -13.962 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -7.885 -13.132 -14.048 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -9.127 -12.887 -12.836 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -11.256 -12.839 -15.682 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -10.540 -13.836 -14.412 1.00 0.00 H new ATOM 963 N ILE A 65 -7.919 -9.803 -11.179 1.00 0.00 N ATOM 964 CA ILE A 65 -8.497 -9.227 -9.977 1.00 0.00 C ATOM 965 C ILE A 65 -9.547 -8.187 -10.369 1.00 0.00 C ATOM 966 O ILE A 65 -9.361 -7.443 -11.331 1.00 0.00 O ATOM 967 CB ILE A 65 -7.398 -8.678 -9.065 1.00 0.00 C ATOM 968 CG1 ILE A 65 -6.439 -9.789 -8.632 1.00 0.00 C ATOM 969 CG2 ILE A 65 -7.998 -7.940 -7.867 1.00 0.00 C ATOM 970 CD1 ILE A 65 -5.305 -9.230 -7.771 1.00 0.00 C ATOM 0 H ILE A 65 -6.962 -9.511 -11.374 1.00 0.00 H new ATOM 0 HA ILE A 65 -9.009 -9.993 -9.395 1.00 0.00 H new ATOM 0 HB ILE A 65 -6.815 -7.952 -9.632 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -6.985 -10.548 -8.072 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -6.024 -10.280 -9.512 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -7.196 -7.560 -7.235 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -8.607 -7.108 -8.220 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -8.620 -8.626 -7.291 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -4.638 -10.040 -7.477 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.746 -8.489 -8.342 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -5.722 -8.762 -6.879 1.00 0.00 H new ATOM 982 N LYS A 66 -10.629 -8.167 -9.604 1.00 0.00 N ATOM 983 CA LYS A 66 -11.709 -7.229 -9.859 1.00 0.00 C ATOM 984 C LYS A 66 -11.491 -5.967 -9.023 1.00 0.00 C ATOM 985 O LYS A 66 -12.139 -5.779 -7.994 1.00 0.00 O ATOM 986 CB LYS A 66 -13.065 -7.897 -9.622 1.00 0.00 C ATOM 987 CG LYS A 66 -13.517 -8.676 -10.859 1.00 0.00 C ATOM 988 CD LYS A 66 -12.637 -9.908 -11.083 1.00 0.00 C ATOM 989 CE LYS A 66 -13.093 -10.691 -12.316 1.00 0.00 C ATOM 990 NZ LYS A 66 -12.016 -10.733 -13.330 1.00 0.00 N ATOM 0 H LYS A 66 -10.781 -8.786 -8.807 1.00 0.00 H new ATOM 0 HA LYS A 66 -11.709 -6.923 -10.905 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -12.998 -8.571 -8.768 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -13.809 -7.140 -9.373 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -14.556 -8.984 -10.740 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -13.474 -8.030 -11.736 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -11.599 -9.600 -11.207 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -12.676 -10.552 -10.204 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -13.370 -11.705 -12.028 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -13.983 -10.226 -12.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -12.266 -11.416 -14.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -11.899 -9.790 -13.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -11.125 -11.023 -12.878 1.00 0.00 H new ATOM 1004 N MET A 67 -10.577 -5.133 -9.496 1.00 0.00 N ATOM 1005 CA MET A 67 -10.265 -3.893 -8.804 1.00 0.00 C ATOM 1006 C MET A 67 -11.293 -2.809 -9.133 1.00 0.00 C ATOM 1007 O MET A 67 -11.982 -2.890 -10.149 1.00 0.00 O ATOM 1008 CB MET A 67 -8.871 -3.416 -9.215 1.00 0.00 C ATOM 1009 CG MET A 67 -7.797 -4.409 -8.766 1.00 0.00 C ATOM 1010 SD MET A 67 -7.733 -4.473 -6.983 1.00 0.00 S ATOM 1011 CE MET A 67 -6.918 -2.921 -6.646 1.00 0.00 C ATOM 0 H MET A 67 -10.042 -5.291 -10.350 1.00 0.00 H new ATOM 0 HA MET A 67 -10.293 -4.080 -7.731 1.00 0.00 H new ATOM 0 HB2 MET A 67 -8.829 -3.294 -10.297 1.00 0.00 H new ATOM 0 HB3 MET A 67 -8.673 -2.438 -8.776 1.00 0.00 H new ATOM 0 HG2 MET A 67 -8.015 -5.399 -9.166 1.00 0.00 H new ATOM 0 HG3 MET A 67 -6.826 -4.112 -9.163 1.00 0.00 H new ATOM 0 HE1 MET A 67 -6.407 -2.980 -5.685 1.00 0.00 H new ATOM 0 HE2 MET A 67 -6.191 -2.714 -7.431 1.00 0.00 H new ATOM 0 HE3 MET A 67 -7.657 -2.121 -6.616 1.00 0.00 H new ATOM 1021 N LYS A 68 -11.364 -1.820 -8.255 1.00 0.00 N ATOM 1022 CA LYS A 68 -12.297 -0.721 -8.439 1.00 0.00 C ATOM 1023 C LYS A 68 -11.785 0.509 -7.686 1.00 0.00 C ATOM 1024 O LYS A 68 -10.764 0.442 -7.003 1.00 0.00 O ATOM 1025 CB LYS A 68 -13.710 -1.144 -8.036 1.00 0.00 C ATOM 1026 CG LYS A 68 -13.741 -1.649 -6.592 1.00 0.00 C ATOM 1027 CD LYS A 68 -14.210 -3.105 -6.530 1.00 0.00 C ATOM 1028 CE LYS A 68 -14.634 -3.484 -5.110 1.00 0.00 C ATOM 1029 NZ LYS A 68 -16.042 -3.095 -4.869 1.00 0.00 N ATOM 0 H LYS A 68 -10.791 -1.756 -7.414 1.00 0.00 H new ATOM 0 HA LYS A 68 -12.360 -0.447 -9.492 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -14.391 -0.300 -8.144 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -14.064 -1.927 -8.706 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -12.747 -1.564 -6.152 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -14.407 -1.023 -5.998 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -15.046 -3.251 -7.214 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -13.408 -3.764 -6.862 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -14.517 -4.558 -4.963 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -13.985 -2.991 -4.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -16.314 -3.359 -3.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -16.144 -2.067 -4.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -16.659 -3.585 -5.548 1.00 0.00 H new ATOM 1043 N ASN A 69 -12.517 1.602 -7.835 1.00 0.00 N ATOM 1044 CA ASN A 69 -12.150 2.845 -7.177 1.00 0.00 C ATOM 1045 C ASN A 69 -13.139 3.129 -6.045 1.00 0.00 C ATOM 1046 O ASN A 69 -14.320 3.366 -6.292 1.00 0.00 O ATOM 1047 CB ASN A 69 -12.200 4.021 -8.154 1.00 0.00 C ATOM 1048 CG ASN A 69 -13.327 3.840 -9.173 1.00 0.00 C ATOM 1049 OD1 ASN A 69 -12.966 4.093 -10.428 1.00 0.00 O flip ATOM 1050 ND2 ASN A 69 -14.449 3.494 -8.842 1.00 0.00 N flip ATOM 0 H ASN A 69 -13.363 1.654 -8.402 1.00 0.00 H new ATOM 0 HA ASN A 69 -11.135 2.737 -6.794 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -12.349 4.950 -7.603 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -11.246 4.108 -8.673 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -14.659 3.316 -7.860 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -15.177 3.383 -9.547 1.00 0.00 H new ATOM 1057 N GLY A 70 -12.620 3.095 -4.826 1.00 0.00 N ATOM 1058 CA GLY A 70 -13.442 3.346 -3.655 1.00 0.00 C ATOM 1059 C GLY A 70 -13.166 2.314 -2.560 1.00 0.00 C ATOM 1060 O GLY A 70 -13.252 2.625 -1.373 1.00 0.00 O ATOM 0 H GLY A 70 -11.640 2.897 -4.624 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -13.243 4.348 -3.274 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -14.496 3.314 -3.932 1.00 0.00 H new ATOM 1064 N MET A 71 -12.840 1.107 -2.998 1.00 0.00 N ATOM 1065 CA MET A 71 -12.551 0.027 -2.069 1.00 0.00 C ATOM 1066 C MET A 71 -11.497 0.452 -1.045 1.00 0.00 C ATOM 1067 O MET A 71 -10.883 1.509 -1.182 1.00 0.00 O ATOM 1068 CB MET A 71 -12.046 -1.192 -2.845 1.00 0.00 C ATOM 1069 CG MET A 71 -10.758 -0.864 -3.603 1.00 0.00 C ATOM 1070 SD MET A 71 -10.508 -2.043 -4.920 1.00 0.00 S ATOM 1071 CE MET A 71 -10.444 -3.555 -3.974 1.00 0.00 C ATOM 0 H MET A 71 -12.770 0.853 -3.983 1.00 0.00 H new ATOM 0 HA MET A 71 -13.468 -0.224 -1.536 1.00 0.00 H new ATOM 0 HB2 MET A 71 -11.867 -2.017 -2.156 1.00 0.00 H new ATOM 0 HB3 MET A 71 -12.811 -1.523 -3.547 1.00 0.00 H new ATOM 0 HG2 MET A 71 -10.814 0.145 -4.012 1.00 0.00 H new ATOM 0 HG3 MET A 71 -9.909 -0.884 -2.920 1.00 0.00 H new ATOM 0 HE1 MET A 71 -9.581 -4.144 -4.287 1.00 0.00 H new ATOM 0 HE2 MET A 71 -10.356 -3.317 -2.914 1.00 0.00 H new ATOM 0 HE3 MET A 71 -11.355 -4.129 -4.143 1.00 0.00 H new ATOM 1081 N THR A 72 -11.321 -0.393 -0.039 1.00 0.00 N ATOM 1082 CA THR A 72 -10.352 -0.118 1.008 1.00 0.00 C ATOM 1083 C THR A 72 -9.227 -1.153 0.979 1.00 0.00 C ATOM 1084 O THR A 72 -9.474 -2.339 0.765 1.00 0.00 O ATOM 1085 CB THR A 72 -11.100 -0.070 2.342 1.00 0.00 C ATOM 1086 OG1 THR A 72 -11.512 1.289 2.460 1.00 0.00 O ATOM 1087 CG2 THR A 72 -10.173 -0.283 3.541 1.00 0.00 C ATOM 0 H THR A 72 -11.833 -1.268 0.073 1.00 0.00 H new ATOM 0 HA THR A 72 -9.867 0.846 0.855 1.00 0.00 H new ATOM 0 HB THR A 72 -11.881 -0.830 2.347 1.00 0.00 H new ATOM 0 HG1 THR A 72 -12.007 1.409 3.297 1.00 0.00 H new ATOM 0 HG21 THR A 72 -10.754 -0.240 4.462 1.00 0.00 H new ATOM 0 HG22 THR A 72 -9.692 -1.258 3.461 1.00 0.00 H new ATOM 0 HG23 THR A 72 -9.411 0.497 3.555 1.00 0.00 H new ATOM 1095 N VAL A 73 -8.013 -0.668 1.198 1.00 0.00 N ATOM 1096 CA VAL A 73 -6.849 -1.537 1.200 1.00 0.00 C ATOM 1097 C VAL A 73 -6.341 -1.699 2.634 1.00 0.00 C ATOM 1098 O VAL A 73 -5.926 -0.726 3.263 1.00 0.00 O ATOM 1099 CB VAL A 73 -5.785 -0.988 0.247 1.00 0.00 C ATOM 1100 CG1 VAL A 73 -4.420 -1.621 0.526 1.00 0.00 C ATOM 1101 CG2 VAL A 73 -6.197 -1.193 -1.212 1.00 0.00 C ATOM 0 H VAL A 73 -7.811 0.316 1.375 1.00 0.00 H new ATOM 0 HA VAL A 73 -7.113 -2.530 0.835 1.00 0.00 H new ATOM 0 HB VAL A 73 -5.699 0.084 0.423 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -3.682 -1.214 -0.165 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -4.119 -1.400 1.550 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -4.485 -2.701 0.392 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -5.423 -0.794 -1.868 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -6.325 -2.258 -1.408 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -7.136 -0.674 -1.401 1.00 0.00 H new ATOM 1111 N LEU A 74 -6.390 -2.934 3.109 1.00 0.00 N ATOM 1112 CA LEU A 74 -5.940 -3.236 4.457 1.00 0.00 C ATOM 1113 C LEU A 74 -4.453 -3.594 4.426 1.00 0.00 C ATOM 1114 O LEU A 74 -4.046 -4.509 3.712 1.00 0.00 O ATOM 1115 CB LEU A 74 -6.819 -4.319 5.086 1.00 0.00 C ATOM 1116 CG LEU A 74 -6.606 -4.573 6.580 1.00 0.00 C ATOM 1117 CD1 LEU A 74 -5.175 -5.036 6.858 1.00 0.00 C ATOM 1118 CD2 LEU A 74 -6.979 -3.339 7.405 1.00 0.00 C ATOM 0 H LEU A 74 -6.735 -3.738 2.584 1.00 0.00 H new ATOM 0 HA LEU A 74 -6.045 -2.360 5.098 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -7.863 -4.048 4.929 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -6.648 -5.253 4.551 1.00 0.00 H new ATOM 0 HG LEU A 74 -7.272 -5.379 6.888 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -5.050 -5.210 7.927 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -4.980 -5.961 6.315 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -4.474 -4.268 6.531 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -6.818 -3.546 8.463 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -6.357 -2.497 7.102 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -8.028 -3.094 7.239 1.00 0.00 H new ATOM 1130 N MET A 75 -3.682 -2.853 5.209 1.00 0.00 N ATOM 1131 CA MET A 75 -2.249 -3.080 5.280 1.00 0.00 C ATOM 1132 C MET A 75 -1.835 -3.540 6.679 1.00 0.00 C ATOM 1133 O MET A 75 -2.110 -2.861 7.666 1.00 0.00 O ATOM 1134 CB MET A 75 -1.509 -1.788 4.927 1.00 0.00 C ATOM 1135 CG MET A 75 -0.200 -2.089 4.193 1.00 0.00 C ATOM 1136 SD MET A 75 0.812 -0.621 4.124 1.00 0.00 S ATOM 1137 CE MET A 75 1.976 -0.986 5.428 1.00 0.00 C ATOM 0 H MET A 75 -4.023 -2.095 5.800 1.00 0.00 H new ATOM 0 HA MET A 75 -1.989 -3.864 4.569 1.00 0.00 H new ATOM 0 HB2 MET A 75 -2.144 -1.160 4.302 1.00 0.00 H new ATOM 0 HB3 MET A 75 -1.299 -1.225 5.836 1.00 0.00 H new ATOM 0 HG2 MET A 75 0.338 -2.888 4.704 1.00 0.00 H new ATOM 0 HG3 MET A 75 -0.412 -2.442 3.184 1.00 0.00 H new ATOM 0 HE1 MET A 75 1.783 -0.336 6.281 1.00 0.00 H new ATOM 0 HE2 MET A 75 1.866 -2.027 5.733 1.00 0.00 H new ATOM 0 HE3 MET A 75 2.991 -0.819 5.067 1.00 0.00 H new ATOM 1147 N MET A 76 -1.181 -4.692 6.719 1.00 0.00 N ATOM 1148 CA MET A 76 -0.726 -5.251 7.981 1.00 0.00 C ATOM 1149 C MET A 76 0.779 -5.522 7.950 1.00 0.00 C ATOM 1150 O MET A 76 1.269 -6.223 7.066 1.00 0.00 O ATOM 1151 CB MET A 76 -1.475 -6.556 8.260 1.00 0.00 C ATOM 1152 CG MET A 76 -2.809 -6.284 8.958 1.00 0.00 C ATOM 1153 SD MET A 76 -2.712 -6.770 10.673 1.00 0.00 S ATOM 1154 CE MET A 76 -3.298 -5.275 11.452 1.00 0.00 C ATOM 0 H MET A 76 -0.955 -5.253 5.898 1.00 0.00 H new ATOM 0 HA MET A 76 -0.929 -4.529 8.772 1.00 0.00 H new ATOM 0 HB2 MET A 76 -1.652 -7.085 7.324 1.00 0.00 H new ATOM 0 HB3 MET A 76 -0.861 -7.206 8.883 1.00 0.00 H new ATOM 0 HG2 MET A 76 -3.058 -5.225 8.885 1.00 0.00 H new ATOM 0 HG3 MET A 76 -3.608 -6.834 8.460 1.00 0.00 H new ATOM 0 HE1 MET A 76 -3.301 -5.406 12.534 1.00 0.00 H new ATOM 0 HE2 MET A 76 -2.641 -4.446 11.189 1.00 0.00 H new ATOM 0 HE3 MET A 76 -4.310 -5.059 11.110 1.00 0.00 H new ATOM 1164 N GLY A 77 1.471 -4.953 8.926 1.00 0.00 N ATOM 1165 CA GLY A 77 2.910 -5.124 9.022 1.00 0.00 C ATOM 1166 C GLY A 77 3.556 -3.946 9.753 1.00 0.00 C ATOM 1167 O GLY A 77 2.903 -2.933 10.003 1.00 0.00 O ATOM 0 H GLY A 77 1.061 -4.373 9.658 1.00 0.00 H new ATOM 0 HA2 GLY A 77 3.135 -6.051 9.549 1.00 0.00 H new ATOM 0 HA3 GLY A 77 3.336 -5.214 8.023 1.00 0.00 H new ATOM 1171 N SER A 78 4.829 -4.116 10.076 1.00 0.00 N ATOM 1172 CA SER A 78 5.570 -3.079 10.774 1.00 0.00 C ATOM 1173 C SER A 78 6.979 -2.960 10.190 1.00 0.00 C ATOM 1174 O SER A 78 7.688 -3.956 10.060 1.00 0.00 O ATOM 1175 CB SER A 78 5.640 -3.368 12.275 1.00 0.00 C ATOM 1176 OG SER A 78 5.774 -4.760 12.545 1.00 0.00 O ATOM 0 H SER A 78 5.367 -4.957 9.867 1.00 0.00 H new ATOM 0 HA SER A 78 5.046 -2.133 10.638 1.00 0.00 H new ATOM 0 HB2 SER A 78 6.484 -2.832 12.708 1.00 0.00 H new ATOM 0 HB3 SER A 78 4.740 -2.990 12.759 1.00 0.00 H new ATOM 0 HG SER A 78 5.817 -4.903 13.514 1.00 0.00 H new ATOM 1182 N ALA A 79 7.343 -1.731 9.853 1.00 0.00 N ATOM 1183 CA ALA A 79 8.655 -1.468 9.286 1.00 0.00 C ATOM 1184 C ALA A 79 9.718 -2.193 10.113 1.00 0.00 C ATOM 1185 O ALA A 79 9.993 -3.370 9.884 1.00 0.00 O ATOM 1186 CB ALA A 79 8.892 0.042 9.226 1.00 0.00 C ATOM 0 H ALA A 79 6.752 -0.907 9.962 1.00 0.00 H new ATOM 0 HA ALA A 79 8.715 -1.848 8.266 1.00 0.00 H new ATOM 0 HB1 ALA A 79 9.876 0.239 8.801 1.00 0.00 H new ATOM 0 HB2 ALA A 79 8.128 0.506 8.602 1.00 0.00 H new ATOM 0 HB3 ALA A 79 8.841 0.458 10.232 1.00 0.00 H new ATOM 1192 N ASP A 80 10.288 -1.460 11.059 1.00 0.00 N ATOM 1193 CA ASP A 80 11.315 -2.019 11.921 1.00 0.00 C ATOM 1194 C ASP A 80 11.125 -1.488 13.344 1.00 0.00 C ATOM 1195 O ASP A 80 11.586 -0.394 13.668 1.00 0.00 O ATOM 1196 CB ASP A 80 12.712 -1.613 11.448 1.00 0.00 C ATOM 1197 CG ASP A 80 13.073 -2.070 10.033 1.00 0.00 C ATOM 1198 OD1 ASP A 80 13.240 -3.296 9.857 1.00 0.00 O ATOM 1199 OD2 ASP A 80 13.175 -1.182 9.159 1.00 0.00 O ATOM 0 H ASP A 80 10.058 -0.484 11.247 1.00 0.00 H new ATOM 0 HA ASP A 80 11.226 -3.105 11.892 1.00 0.00 H new ATOM 0 HB2 ASP A 80 12.794 -0.527 11.495 1.00 0.00 H new ATOM 0 HB3 ASP A 80 13.447 -2.019 12.143 1.00 0.00 H new ATOM 1204 N ALA A 81 10.445 -2.286 14.153 1.00 0.00 N ATOM 1205 CA ALA A 81 10.188 -1.910 15.533 1.00 0.00 C ATOM 1206 C ALA A 81 9.356 -0.626 15.561 1.00 0.00 C ATOM 1207 O ALA A 81 9.149 0.007 14.526 1.00 0.00 O ATOM 1208 CB ALA A 81 11.516 -1.760 16.277 1.00 0.00 C ATOM 0 H ALA A 81 10.064 -3.192 13.880 1.00 0.00 H new ATOM 0 HA ALA A 81 9.615 -2.685 16.042 1.00 0.00 H new ATOM 0 HB1 ALA A 81 11.323 -1.478 17.312 1.00 0.00 H new ATOM 0 HB2 ALA A 81 12.055 -2.707 16.253 1.00 0.00 H new ATOM 0 HB3 ALA A 81 12.117 -0.988 15.797 1.00 0.00 H new ATOM 1214 N LEU A 82 8.902 -0.278 16.756 1.00 0.00 N ATOM 1215 CA LEU A 82 8.097 0.919 16.932 1.00 0.00 C ATOM 1216 C LEU A 82 8.748 2.081 16.178 1.00 0.00 C ATOM 1217 O LEU A 82 9.817 2.553 16.562 1.00 0.00 O ATOM 1218 CB LEU A 82 7.872 1.199 18.419 1.00 0.00 C ATOM 1219 CG LEU A 82 7.174 0.093 19.212 1.00 0.00 C ATOM 1220 CD1 LEU A 82 7.433 0.247 20.712 1.00 0.00 C ATOM 1221 CD2 LEU A 82 5.679 0.047 18.890 1.00 0.00 C ATOM 0 H LEU A 82 9.076 -0.804 17.612 1.00 0.00 H new ATOM 0 HA LEU A 82 7.104 0.778 16.505 1.00 0.00 H new ATOM 0 HB2 LEU A 82 8.839 1.395 18.882 1.00 0.00 H new ATOM 0 HB3 LEU A 82 7.283 2.112 18.511 1.00 0.00 H new ATOM 0 HG LEU A 82 7.598 -0.864 18.909 1.00 0.00 H new ATOM 0 HD11 LEU A 82 6.926 -0.552 21.253 1.00 0.00 H new ATOM 0 HD12 LEU A 82 8.505 0.191 20.904 1.00 0.00 H new ATOM 0 HD13 LEU A 82 7.054 1.211 21.050 1.00 0.00 H new ATOM 0 HD21 LEU A 82 5.207 -0.748 19.467 1.00 0.00 H new ATOM 0 HD22 LEU A 82 5.222 1.003 19.147 1.00 0.00 H new ATOM 0 HD23 LEU A 82 5.542 -0.146 17.826 1.00 0.00 H new ATOM 1233 N PRO A 83 8.058 2.519 15.091 1.00 0.00 N ATOM 1234 CA PRO A 83 8.557 3.616 14.280 1.00 0.00 C ATOM 1235 C PRO A 83 8.359 4.957 14.990 1.00 0.00 C ATOM 1236 O PRO A 83 7.921 4.996 16.139 1.00 0.00 O ATOM 1237 CB PRO A 83 7.792 3.518 12.971 1.00 0.00 C ATOM 1238 CG PRO A 83 6.570 2.664 13.266 1.00 0.00 C ATOM 1239 CD PRO A 83 6.789 1.983 14.607 1.00 0.00 C ATOM 0 HA PRO A 83 9.631 3.554 14.103 1.00 0.00 H new ATOM 0 HB2 PRO A 83 7.501 4.506 12.614 1.00 0.00 H new ATOM 0 HB3 PRO A 83 8.406 3.065 12.193 1.00 0.00 H new ATOM 0 HG2 PRO A 83 5.671 3.280 13.293 1.00 0.00 H new ATOM 0 HG3 PRO A 83 6.424 1.922 12.481 1.00 0.00 H new ATOM 0 HD2 PRO A 83 5.976 2.202 15.300 1.00 0.00 H new ATOM 0 HD3 PRO A 83 6.832 0.899 14.499 1.00 0.00 H new ATOM 1247 N GLU A 84 8.690 6.023 14.276 1.00 0.00 N ATOM 1248 CA GLU A 84 8.553 7.362 14.823 1.00 0.00 C ATOM 1249 C GLU A 84 7.667 8.218 13.916 1.00 0.00 C ATOM 1250 O GLU A 84 8.167 8.930 13.047 1.00 0.00 O ATOM 1251 CB GLU A 84 9.922 8.014 15.026 1.00 0.00 C ATOM 1252 CG GLU A 84 9.825 9.210 15.975 1.00 0.00 C ATOM 1253 CD GLU A 84 10.154 10.515 15.248 1.00 0.00 C ATOM 1254 OE1 GLU A 84 11.360 10.839 15.180 1.00 0.00 O ATOM 1255 OE2 GLU A 84 9.193 11.160 14.776 1.00 0.00 O ATOM 0 H GLU A 84 9.053 5.986 13.323 1.00 0.00 H new ATOM 0 HA GLU A 84 8.074 7.287 15.799 1.00 0.00 H new ATOM 0 HB2 GLU A 84 10.621 7.281 15.429 1.00 0.00 H new ATOM 0 HB3 GLU A 84 10.320 8.339 14.065 1.00 0.00 H new ATOM 0 HG2 GLU A 84 8.820 9.266 16.393 1.00 0.00 H new ATOM 0 HG3 GLU A 84 10.511 9.072 16.811 1.00 0.00 H new ATOM 1262 N GLU A 85 6.367 8.121 14.150 1.00 0.00 N ATOM 1263 CA GLU A 85 5.406 8.878 13.365 1.00 0.00 C ATOM 1264 C GLU A 85 5.112 10.220 14.037 1.00 0.00 C ATOM 1265 O GLU A 85 4.983 10.293 15.258 1.00 0.00 O ATOM 1266 CB GLU A 85 4.120 8.077 13.152 1.00 0.00 C ATOM 1267 CG GLU A 85 3.493 7.681 14.491 1.00 0.00 C ATOM 1268 CD GLU A 85 3.298 6.166 14.578 1.00 0.00 C ATOM 1269 OE1 GLU A 85 2.919 5.582 13.539 1.00 0.00 O ATOM 1270 OE2 GLU A 85 3.532 5.626 15.680 1.00 0.00 O ATOM 0 H GLU A 85 5.956 7.530 14.872 1.00 0.00 H new ATOM 0 HA GLU A 85 5.840 9.073 12.384 1.00 0.00 H new ATOM 0 HB2 GLU A 85 3.410 8.669 12.575 1.00 0.00 H new ATOM 0 HB3 GLU A 85 4.337 7.182 12.569 1.00 0.00 H new ATOM 0 HG2 GLU A 85 4.131 8.017 15.309 1.00 0.00 H new ATOM 0 HG3 GLU A 85 2.532 8.182 14.609 1.00 0.00 H new ATOM 1277 N PRO A 86 5.012 11.278 13.188 1.00 0.00 N ATOM 1278 CA PRO A 86 4.735 12.615 13.686 1.00 0.00 C ATOM 1279 C PRO A 86 3.267 12.756 14.091 1.00 0.00 C ATOM 1280 O PRO A 86 2.963 13.060 15.243 1.00 0.00 O ATOM 1281 CB PRO A 86 5.132 13.547 12.553 1.00 0.00 C ATOM 1282 CG PRO A 86 5.176 12.686 11.301 1.00 0.00 C ATOM 1283 CD PRO A 86 5.159 11.230 11.736 1.00 0.00 C ATOM 0 HA PRO A 86 5.294 12.851 14.592 1.00 0.00 H new ATOM 0 HB2 PRO A 86 4.412 14.358 12.444 1.00 0.00 H new ATOM 0 HB3 PRO A 86 6.102 14.005 12.746 1.00 0.00 H new ATOM 0 HG2 PRO A 86 4.322 12.902 10.659 1.00 0.00 H new ATOM 0 HG3 PRO A 86 6.074 12.901 10.721 1.00 0.00 H new ATOM 0 HD2 PRO A 86 4.335 10.688 11.272 1.00 0.00 H new ATOM 0 HD3 PRO A 86 6.078 10.720 11.448 1.00 0.00 H new ATOM 1291 N SER A 87 2.394 12.527 13.120 1.00 0.00 N ATOM 1292 CA SER A 87 0.964 12.625 13.360 1.00 0.00 C ATOM 1293 C SER A 87 0.195 11.961 12.217 1.00 0.00 C ATOM 1294 O SER A 87 0.796 11.451 11.273 1.00 0.00 O ATOM 1295 CB SER A 87 0.531 14.084 13.515 1.00 0.00 C ATOM 1296 OG SER A 87 0.460 14.478 14.883 1.00 0.00 O ATOM 0 H SER A 87 2.650 12.274 12.166 1.00 0.00 H new ATOM 0 HA SER A 87 0.737 12.106 14.291 1.00 0.00 H new ATOM 0 HB2 SER A 87 1.234 14.729 12.988 1.00 0.00 H new ATOM 0 HB3 SER A 87 -0.443 14.225 13.046 1.00 0.00 H new ATOM 0 HG SER A 87 1.239 14.129 15.365 1.00 0.00 H new ATOM 1302 N ALA A 88 -1.124 11.990 12.339 1.00 0.00 N ATOM 1303 CA ALA A 88 -1.982 11.397 11.327 1.00 0.00 C ATOM 1304 C ALA A 88 -3.423 11.863 11.550 1.00 0.00 C ATOM 1305 O ALA A 88 -4.312 11.048 11.792 1.00 0.00 O ATOM 1306 CB ALA A 88 -1.848 9.874 11.373 1.00 0.00 C ATOM 0 H ALA A 88 -1.619 12.415 13.123 1.00 0.00 H new ATOM 0 HA ALA A 88 -1.681 11.721 10.331 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -2.491 9.429 10.614 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -0.812 9.594 11.180 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -2.145 9.512 12.358 1.00 0.00 H new ATOM 1312 N LYS A 89 -3.609 13.171 11.460 1.00 0.00 N ATOM 1313 CA LYS A 89 -4.926 13.755 11.648 1.00 0.00 C ATOM 1314 C LYS A 89 -5.232 13.838 13.145 1.00 0.00 C ATOM 1315 O LYS A 89 -5.031 12.871 13.878 1.00 0.00 O ATOM 1316 CB LYS A 89 -5.975 12.980 10.848 1.00 0.00 C ATOM 1317 CG LYS A 89 -6.926 13.934 10.122 1.00 0.00 C ATOM 1318 CD LYS A 89 -6.819 13.765 8.605 1.00 0.00 C ATOM 1319 CE LYS A 89 -6.984 15.108 7.891 1.00 0.00 C ATOM 1320 NZ LYS A 89 -6.219 15.119 6.625 1.00 0.00 N ATOM 0 H LYS A 89 -2.869 13.844 11.259 1.00 0.00 H new ATOM 0 HA LYS A 89 -4.951 14.773 11.259 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -5.480 12.333 10.124 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -6.543 12.334 11.517 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -7.951 13.745 10.441 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -6.692 14.963 10.394 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -5.852 13.330 8.351 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -7.582 13.068 8.258 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -8.039 15.291 7.687 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -6.640 15.915 8.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -6.342 16.038 6.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -5.210 14.966 6.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -6.566 14.361 6.003 1.00 0.00 H new ATOM 1334 N THR A 90 -5.714 15.003 13.554 1.00 0.00 N ATOM 1335 CA THR A 90 -6.050 15.225 14.950 1.00 0.00 C ATOM 1336 C THR A 90 -7.255 14.372 15.351 1.00 0.00 C ATOM 1337 O THR A 90 -8.110 14.069 14.520 1.00 0.00 O ATOM 1338 CB THR A 90 -6.275 16.725 15.149 1.00 0.00 C ATOM 1339 OG1 THR A 90 -4.978 17.295 14.991 1.00 0.00 O ATOM 1340 CG2 THR A 90 -6.663 17.074 16.587 1.00 0.00 C ATOM 0 H THR A 90 -5.880 15.803 12.943 1.00 0.00 H new ATOM 0 HA THR A 90 -5.238 14.913 15.607 1.00 0.00 H new ATOM 0 HB THR A 90 -7.056 17.068 14.470 1.00 0.00 H new ATOM 0 HG1 THR A 90 -5.032 18.267 15.103 1.00 0.00 H new ATOM 0 HG21 THR A 90 -6.811 18.151 16.673 1.00 0.00 H new ATOM 0 HG22 THR A 90 -7.587 16.559 16.850 1.00 0.00 H new ATOM 0 HG23 THR A 90 -5.868 16.762 17.264 1.00 0.00 H new ATOM 1348 N SER A 91 -7.285 14.008 16.624 1.00 0.00 N ATOM 1349 CA SER A 91 -8.371 13.195 17.146 1.00 0.00 C ATOM 1350 C SER A 91 -8.415 11.851 16.416 1.00 0.00 C ATOM 1351 O SER A 91 -7.962 11.743 15.278 1.00 0.00 O ATOM 1352 CB SER A 91 -9.713 13.917 17.010 1.00 0.00 C ATOM 1353 OG SER A 91 -10.124 14.515 18.236 1.00 0.00 O ATOM 0 H SER A 91 -6.574 14.261 17.310 1.00 0.00 H new ATOM 0 HA SER A 91 -8.189 13.020 18.206 1.00 0.00 H new ATOM 0 HB2 SER A 91 -9.635 14.685 16.240 1.00 0.00 H new ATOM 0 HB3 SER A 91 -10.473 13.210 16.679 1.00 0.00 H new ATOM 0 HG SER A 91 -10.984 14.967 18.107 1.00 0.00 H new ATOM 1359 N GLY A 92 -8.964 10.860 17.103 1.00 0.00 N ATOM 1360 CA GLY A 92 -9.073 9.527 16.534 1.00 0.00 C ATOM 1361 C GLY A 92 -8.724 8.458 17.572 1.00 0.00 C ATOM 1362 O GLY A 92 -7.550 8.171 17.802 1.00 0.00 O ATOM 0 H GLY A 92 -9.338 10.953 18.047 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -10.087 9.366 16.167 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -8.406 9.438 15.676 1.00 0.00 H new ATOM 1366 N PRO A 93 -9.792 7.883 18.187 1.00 0.00 N ATOM 1367 CA PRO A 93 -9.610 6.852 19.195 1.00 0.00 C ATOM 1368 C PRO A 93 -9.219 5.520 18.552 1.00 0.00 C ATOM 1369 O PRO A 93 -8.913 4.556 19.251 1.00 0.00 O ATOM 1370 CB PRO A 93 -10.936 6.788 19.935 1.00 0.00 C ATOM 1371 CG PRO A 93 -11.956 7.449 19.022 1.00 0.00 C ATOM 1372 CD PRO A 93 -11.196 8.198 17.940 1.00 0.00 C ATOM 0 HA PRO A 93 -8.795 7.075 19.884 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -11.214 5.756 20.149 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -10.875 7.306 20.892 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -12.613 6.701 18.579 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -12.588 8.133 19.588 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -11.505 7.877 16.945 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -11.377 9.271 17.999 1.00 0.00 H new ATOM 1380 N SER A 94 -9.242 5.509 17.227 1.00 0.00 N ATOM 1381 CA SER A 94 -8.894 4.311 16.482 1.00 0.00 C ATOM 1382 C SER A 94 -9.897 3.196 16.786 1.00 0.00 C ATOM 1383 O SER A 94 -9.698 2.413 17.713 1.00 0.00 O ATOM 1384 CB SER A 94 -7.473 3.851 16.813 1.00 0.00 C ATOM 1385 OG SER A 94 -6.496 4.529 16.027 1.00 0.00 O ATOM 0 H SER A 94 -9.496 6.311 16.650 1.00 0.00 H new ATOM 0 HA SER A 94 -8.933 4.546 15.418 1.00 0.00 H new ATOM 0 HB2 SER A 94 -7.272 4.025 17.870 1.00 0.00 H new ATOM 0 HB3 SER A 94 -7.391 2.777 16.646 1.00 0.00 H new ATOM 0 HG SER A 94 -5.602 4.209 16.269 1.00 0.00 H new ATOM 1391 N SER A 95 -10.953 3.160 15.987 1.00 0.00 N ATOM 1392 CA SER A 95 -11.987 2.154 16.158 1.00 0.00 C ATOM 1393 C SER A 95 -11.997 1.204 14.959 1.00 0.00 C ATOM 1394 O SER A 95 -11.492 1.543 13.890 1.00 0.00 O ATOM 1395 CB SER A 95 -13.362 2.801 16.334 1.00 0.00 C ATOM 1396 OG SER A 95 -13.612 3.799 15.348 1.00 0.00 O ATOM 0 H SER A 95 -11.115 3.812 15.219 1.00 0.00 H new ATOM 0 HA SER A 95 -11.765 1.586 17.061 1.00 0.00 H new ATOM 0 HB2 SER A 95 -14.134 2.034 16.277 1.00 0.00 H new ATOM 0 HB3 SER A 95 -13.429 3.247 17.326 1.00 0.00 H new ATOM 0 HG SER A 95 -14.500 4.187 15.493 1.00 0.00 H new ATOM 1402 N GLY A 96 -12.578 0.033 15.177 1.00 0.00 N ATOM 1403 CA GLY A 96 -12.660 -0.968 14.127 1.00 0.00 C ATOM 1404 C GLY A 96 -12.468 -2.376 14.696 1.00 0.00 C ATOM 1405 O GLY A 96 -11.861 -2.545 15.752 1.00 0.00 O ATOM 0 H GLY A 96 -12.996 -0.245 16.065 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -13.628 -0.901 13.631 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -11.900 -0.771 13.371 1.00 0.00 H new TER 1409 GLY A 96