USER MOD reduce.3.24.130724 H: found=0, std=0, add=705, rem=0, adj=23 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 41 THR OG1 : rot -80:sc= -0.224 USER MOD Set 1.2: A 75 MET CE :methyl -110:sc= -1.94! (180deg=-3.62!) USER MOD Set 2.1: A 51 MET CE :methyl 137:sc= -1.02 (180deg=-3.81!) USER MOD Set 2.2: A 56 THR OG1 : rot 180:sc= 0 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= -0.0286 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 37:sc= 0.334 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 : amide:sc= -2.1 X(o=-2.1,f=-2.1) USER MOD Single : A 26 THR OG1 : rot -111:sc= 0.655 USER MOD Single : A 31 MET CE :methyl -112:sc= -2.22! (180deg=-5.75!) USER MOD Single : A 34 LYS NZ :NH3+ -154:sc= 0.716 (180deg=0.351) USER MOD Single : A 36 GLN : amide:sc= -6.22! C(o=-6.2!,f=-4.6!) USER MOD Single : A 44 GLN : amide:sc= -1.33! C(o=-1.3!,f=-7.2!) USER MOD Single : A 48 GLN : amide:sc= -5.64! C(o=-5.6!,f=-8.5!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 MET CE :methyl -152:sc= -4.16! (180deg=-7.08!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= -2.01! K(o=-2!,f=-0.078) USER MOD Single : A 71 MET CE :methyl 146:sc= -0.601 (180deg=-1.37!) 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 32:sc= 0.0262 USER MOD Single : A 87 SER OG : rot 180:sc= 0 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 13:sc= 0.22 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.680 15.653 -21.164 1.00 0.00 N ATOM 2 CA GLY A 1 -0.806 14.264 -21.571 1.00 0.00 C ATOM 3 C GLY A 1 -1.831 13.529 -20.704 1.00 0.00 C ATOM 4 O GLY A 1 -1.539 13.161 -19.568 1.00 0.00 O ATOM 0 H1 GLY A 1 0.021 16.129 -21.767 1.00 0.00 H new ATOM 0 H2 GLY A 1 -1.600 16.128 -21.261 1.00 0.00 H new ATOM 0 H3 GLY A 1 -0.370 15.697 -20.172 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -1.107 14.214 -22.617 1.00 0.00 H new ATOM 0 HA3 GLY A 1 0.162 13.769 -21.494 1.00 0.00 H new ATOM 8 N SER A 2 -3.012 13.338 -21.275 1.00 0.00 N ATOM 9 CA SER A 2 -4.082 12.654 -20.569 1.00 0.00 C ATOM 10 C SER A 2 -4.841 11.738 -21.530 1.00 0.00 C ATOM 11 O SER A 2 -5.788 12.170 -22.187 1.00 0.00 O ATOM 12 CB SER A 2 -5.041 13.654 -19.920 1.00 0.00 C ATOM 13 OG SER A 2 -6.120 13.004 -19.254 1.00 0.00 O ATOM 0 H SER A 2 -3.251 13.645 -22.218 1.00 0.00 H new ATOM 0 HA SER A 2 -3.638 12.051 -19.777 1.00 0.00 H new ATOM 0 HB2 SER A 2 -4.494 14.271 -19.207 1.00 0.00 H new ATOM 0 HB3 SER A 2 -5.437 14.324 -20.683 1.00 0.00 H new ATOM 0 HG SER A 2 -6.709 13.676 -18.852 1.00 0.00 H new ATOM 19 N SER A 3 -4.399 10.490 -21.582 1.00 0.00 N ATOM 20 CA SER A 3 -5.025 9.510 -22.452 1.00 0.00 C ATOM 21 C SER A 3 -5.255 8.203 -21.689 1.00 0.00 C ATOM 22 O SER A 3 -4.566 7.924 -20.709 1.00 0.00 O ATOM 23 CB SER A 3 -4.174 9.254 -23.698 1.00 0.00 C ATOM 24 OG SER A 3 -4.693 8.191 -24.491 1.00 0.00 O ATOM 0 H SER A 3 -3.614 10.135 -21.035 1.00 0.00 H new ATOM 0 HA SER A 3 -5.986 9.908 -22.777 1.00 0.00 H new ATOM 0 HB2 SER A 3 -4.126 10.163 -24.297 1.00 0.00 H new ATOM 0 HB3 SER A 3 -3.154 9.017 -23.397 1.00 0.00 H new ATOM 0 HG SER A 3 -4.123 8.061 -25.277 1.00 0.00 H new ATOM 30 N GLY A 4 -6.224 7.438 -22.168 1.00 0.00 N ATOM 31 CA GLY A 4 -6.553 6.168 -21.543 1.00 0.00 C ATOM 32 C GLY A 4 -7.126 6.379 -20.140 1.00 0.00 C ATOM 33 O GLY A 4 -7.413 7.509 -19.747 1.00 0.00 O ATOM 0 H GLY A 4 -6.792 7.673 -22.982 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -7.276 5.632 -22.158 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -5.660 5.545 -21.485 1.00 0.00 H new ATOM 37 N SER A 5 -7.276 5.274 -19.425 1.00 0.00 N ATOM 38 CA SER A 5 -7.810 5.324 -18.074 1.00 0.00 C ATOM 39 C SER A 5 -7.752 3.934 -17.437 1.00 0.00 C ATOM 40 O SER A 5 -8.269 2.969 -17.997 1.00 0.00 O ATOM 41 CB SER A 5 -9.246 5.852 -18.069 1.00 0.00 C ATOM 42 OG SER A 5 -9.592 6.445 -16.820 1.00 0.00 O ATOM 0 H SER A 5 -7.037 4.339 -19.755 1.00 0.00 H new ATOM 0 HA SER A 5 -7.198 6.010 -17.489 1.00 0.00 H new ATOM 0 HB2 SER A 5 -9.365 6.587 -18.865 1.00 0.00 H new ATOM 0 HB3 SER A 5 -9.934 5.034 -18.285 1.00 0.00 H new ATOM 0 HG SER A 5 -10.515 6.771 -16.857 1.00 0.00 H new ATOM 48 N SER A 6 -7.118 3.877 -16.275 1.00 0.00 N ATOM 49 CA SER A 6 -6.987 2.621 -15.556 1.00 0.00 C ATOM 50 C SER A 6 -6.717 2.892 -14.074 1.00 0.00 C ATOM 51 O SER A 6 -7.381 2.328 -13.206 1.00 0.00 O ATOM 52 CB SER A 6 -5.870 1.761 -16.150 1.00 0.00 C ATOM 53 OG SER A 6 -6.358 0.863 -17.143 1.00 0.00 O ATOM 0 H SER A 6 -6.690 4.680 -15.814 1.00 0.00 H new ATOM 0 HA SER A 6 -7.923 2.071 -15.654 1.00 0.00 H new ATOM 0 HB2 SER A 6 -5.109 2.407 -16.588 1.00 0.00 H new ATOM 0 HB3 SER A 6 -5.387 1.194 -15.354 1.00 0.00 H new ATOM 0 HG SER A 6 -7.063 1.302 -17.663 1.00 0.00 H new ATOM 59 N GLY A 7 -5.742 3.756 -13.832 1.00 0.00 N ATOM 60 CA GLY A 7 -5.376 4.109 -12.470 1.00 0.00 C ATOM 61 C GLY A 7 -6.614 4.196 -11.575 1.00 0.00 C ATOM 62 O GLY A 7 -7.480 5.043 -11.788 1.00 0.00 O ATOM 0 H GLY A 7 -5.194 4.222 -14.555 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.686 3.366 -12.071 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.852 5.065 -12.466 1.00 0.00 H new ATOM 66 N TYR A 8 -6.658 3.308 -10.593 1.00 0.00 N ATOM 67 CA TYR A 8 -7.776 3.273 -9.665 1.00 0.00 C ATOM 68 C TYR A 8 -7.452 4.051 -8.388 1.00 0.00 C ATOM 69 O TYR A 8 -6.300 4.412 -8.152 1.00 0.00 O ATOM 70 CB TYR A 8 -7.985 1.800 -9.311 1.00 0.00 C ATOM 71 CG TYR A 8 -8.590 0.968 -10.443 1.00 0.00 C ATOM 72 CD1 TYR A 8 -7.784 0.488 -11.455 1.00 0.00 C ATOM 73 CD2 TYR A 8 -9.944 0.697 -10.453 1.00 0.00 C ATOM 74 CE1 TYR A 8 -8.353 -0.295 -12.520 1.00 0.00 C ATOM 75 CE2 TYR A 8 -10.514 -0.086 -11.518 1.00 0.00 C ATOM 76 CZ TYR A 8 -9.690 -0.543 -12.500 1.00 0.00 C ATOM 77 OH TYR A 8 -10.229 -1.283 -13.506 1.00 0.00 O ATOM 0 H TYR A 8 -5.938 2.607 -10.420 1.00 0.00 H new ATOM 0 HA TYR A 8 -8.661 3.724 -10.113 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -7.026 1.366 -9.027 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -8.635 1.735 -8.439 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -6.725 0.700 -11.448 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -10.576 1.073 -9.662 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -7.732 -0.677 -13.317 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -11.571 -0.306 -11.537 1.00 0.00 H new ATOM 0 HH TYR A 8 -11.193 -1.380 -13.360 1.00 0.00 H new ATOM 87 N SER A 9 -8.489 4.287 -7.597 1.00 0.00 N ATOM 88 CA SER A 9 -8.329 5.016 -6.350 1.00 0.00 C ATOM 89 C SER A 9 -8.799 4.154 -5.177 1.00 0.00 C ATOM 90 O SER A 9 -9.968 3.780 -5.105 1.00 0.00 O ATOM 91 CB SER A 9 -9.101 6.336 -6.381 1.00 0.00 C ATOM 92 OG SER A 9 -9.514 6.682 -7.700 1.00 0.00 O ATOM 0 H SER A 9 -9.443 3.986 -7.796 1.00 0.00 H new ATOM 0 HA SER A 9 -7.272 5.248 -6.222 1.00 0.00 H new ATOM 0 HB2 SER A 9 -9.976 6.259 -5.736 1.00 0.00 H new ATOM 0 HB3 SER A 9 -8.475 7.132 -5.977 1.00 0.00 H new ATOM 0 HG SER A 9 -10.005 7.530 -7.677 1.00 0.00 H new ATOM 98 N VAL A 10 -7.862 3.862 -4.286 1.00 0.00 N ATOM 99 CA VAL A 10 -8.166 3.051 -3.119 1.00 0.00 C ATOM 100 C VAL A 10 -7.732 3.799 -1.857 1.00 0.00 C ATOM 101 O VAL A 10 -7.236 4.922 -1.936 1.00 0.00 O ATOM 102 CB VAL A 10 -7.511 1.675 -3.254 1.00 0.00 C ATOM 103 CG1 VAL A 10 -8.026 0.942 -4.494 1.00 0.00 C ATOM 104 CG2 VAL A 10 -5.986 1.794 -3.281 1.00 0.00 C ATOM 0 H VAL A 10 -6.892 4.172 -4.349 1.00 0.00 H new ATOM 0 HA VAL A 10 -9.240 2.879 -3.042 1.00 0.00 H new ATOM 0 HB VAL A 10 -7.785 1.086 -2.379 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -7.545 -0.033 -4.566 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -9.105 0.809 -4.416 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -7.796 1.527 -5.384 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -5.545 0.802 -3.378 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -5.684 2.409 -4.129 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -5.641 2.256 -2.356 1.00 0.00 H new ATOM 114 N THR A 11 -7.934 3.146 -0.722 1.00 0.00 N ATOM 115 CA THR A 11 -7.569 3.735 0.556 1.00 0.00 C ATOM 116 C THR A 11 -6.776 2.733 1.398 1.00 0.00 C ATOM 117 O THR A 11 -7.246 1.626 1.657 1.00 0.00 O ATOM 118 CB THR A 11 -8.851 4.220 1.235 1.00 0.00 C ATOM 119 OG1 THR A 11 -9.020 5.549 0.749 1.00 0.00 O ATOM 120 CG2 THR A 11 -8.683 4.394 2.746 1.00 0.00 C ATOM 0 H THR A 11 -8.346 2.215 -0.660 1.00 0.00 H new ATOM 0 HA THR A 11 -6.910 4.593 0.423 1.00 0.00 H new ATOM 0 HB THR A 11 -9.656 3.512 1.038 1.00 0.00 H new ATOM 0 HG1 THR A 11 -9.831 5.939 1.138 1.00 0.00 H new ATOM 0 HG21 THR A 11 -9.622 4.740 3.179 1.00 0.00 H new ATOM 0 HG22 THR A 11 -8.407 3.439 3.194 1.00 0.00 H new ATOM 0 HG23 THR A 11 -7.901 5.127 2.943 1.00 0.00 H new ATOM 128 N VAL A 12 -5.588 3.158 1.802 1.00 0.00 N ATOM 129 CA VAL A 12 -4.726 2.312 2.609 1.00 0.00 C ATOM 130 C VAL A 12 -5.031 2.546 4.090 1.00 0.00 C ATOM 131 O VAL A 12 -5.072 3.688 4.546 1.00 0.00 O ATOM 132 CB VAL A 12 -3.260 2.567 2.253 1.00 0.00 C ATOM 133 CG1 VAL A 12 -2.332 2.085 3.370 1.00 0.00 C ATOM 134 CG2 VAL A 12 -2.898 1.912 0.919 1.00 0.00 C ATOM 0 H VAL A 12 -5.202 4.077 1.585 1.00 0.00 H new ATOM 0 HA VAL A 12 -4.919 1.260 2.399 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.124 3.643 2.146 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.296 2.278 3.091 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.565 2.618 4.292 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.473 1.015 3.524 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -1.851 2.109 0.690 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -3.059 0.836 0.986 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -3.526 2.324 0.129 1.00 0.00 H new ATOM 144 N LYS A 13 -5.236 1.447 4.800 1.00 0.00 N ATOM 145 CA LYS A 13 -5.536 1.518 6.220 1.00 0.00 C ATOM 146 C LYS A 13 -4.406 0.853 7.010 1.00 0.00 C ATOM 147 O LYS A 13 -4.238 -0.364 6.955 1.00 0.00 O ATOM 148 CB LYS A 13 -6.917 0.926 6.507 1.00 0.00 C ATOM 149 CG LYS A 13 -7.834 1.964 7.157 1.00 0.00 C ATOM 150 CD LYS A 13 -8.826 1.297 8.113 1.00 0.00 C ATOM 151 CE LYS A 13 -10.062 0.800 7.361 1.00 0.00 C ATOM 152 NZ LYS A 13 -10.828 -0.153 8.195 1.00 0.00 N ATOM 0 H LYS A 13 -5.200 0.502 4.419 1.00 0.00 H new ATOM 0 HA LYS A 13 -5.586 2.557 6.546 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -7.364 0.571 5.579 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -6.817 0.062 7.164 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -7.235 2.694 7.700 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -8.378 2.509 6.385 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -8.343 0.461 8.619 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -9.126 2.006 8.885 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -10.695 1.645 7.090 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -9.760 0.318 6.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -11.664 -0.480 7.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -10.227 -0.968 8.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -11.133 0.319 9.070 1.00 0.00 H new ATOM 166 N TRP A 14 -3.660 1.682 7.725 1.00 0.00 N ATOM 167 CA TRP A 14 -2.551 1.190 8.525 1.00 0.00 C ATOM 168 C TRP A 14 -2.847 1.509 9.992 1.00 0.00 C ATOM 169 O TRP A 14 -2.558 2.608 10.462 1.00 0.00 O ATOM 170 CB TRP A 14 -1.224 1.777 8.042 1.00 0.00 C ATOM 171 CG TRP A 14 0.011 1.117 8.660 1.00 0.00 C ATOM 172 CD1 TRP A 14 0.269 -0.191 8.791 1.00 0.00 C ATOM 173 CD2 TRP A 14 1.151 1.793 9.230 1.00 0.00 C ATOM 174 NE1 TRP A 14 1.487 -0.408 9.402 1.00 0.00 N ATOM 175 CE2 TRP A 14 2.041 0.837 9.677 1.00 0.00 C ATOM 176 CE3 TRP A 14 1.423 3.166 9.364 1.00 0.00 C ATOM 177 CZ2 TRP A 14 3.261 1.151 10.287 1.00 0.00 C ATOM 178 CZ3 TRP A 14 2.646 3.463 9.976 1.00 0.00 C ATOM 179 CH2 TRP A 14 3.553 2.513 10.431 1.00 0.00 C ATOM 0 H TRP A 14 -3.802 2.691 7.767 1.00 0.00 H new ATOM 0 HA TRP A 14 -2.448 0.110 8.418 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -1.170 1.682 6.958 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -1.206 2.843 8.270 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -0.393 -0.977 8.460 1.00 0.00 H new ATOM 0 HE1 TRP A 14 1.904 -1.315 9.613 1.00 0.00 H new ATOM 0 HE3 TRP A 14 0.742 3.931 9.022 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 3.941 0.384 10.628 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 2.903 4.504 10.104 1.00 0.00 H new ATOM 0 HH2 TRP A 14 4.478 2.824 10.893 1.00 0.00 H new ATOM 190 N GLY A 15 -3.421 0.528 10.673 1.00 0.00 N ATOM 191 CA GLY A 15 -3.760 0.691 12.077 1.00 0.00 C ATOM 192 C GLY A 15 -4.274 2.105 12.357 1.00 0.00 C ATOM 193 O GLY A 15 -5.167 2.592 11.664 1.00 0.00 O ATOM 0 H GLY A 15 -3.660 -0.382 10.279 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -4.520 -0.038 12.358 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -2.883 0.491 12.692 1.00 0.00 H new ATOM 197 N LYS A 16 -3.690 2.723 13.372 1.00 0.00 N ATOM 198 CA LYS A 16 -4.078 4.071 13.752 1.00 0.00 C ATOM 199 C LYS A 16 -3.885 5.008 12.558 1.00 0.00 C ATOM 200 O LYS A 16 -4.647 5.956 12.379 1.00 0.00 O ATOM 201 CB LYS A 16 -3.325 4.512 15.008 1.00 0.00 C ATOM 202 CG LYS A 16 -4.124 5.559 15.787 1.00 0.00 C ATOM 203 CD LYS A 16 -3.348 6.036 17.017 1.00 0.00 C ATOM 204 CE LYS A 16 -2.789 7.444 16.799 1.00 0.00 C ATOM 205 NZ LYS A 16 -1.504 7.383 16.067 1.00 0.00 N ATOM 0 H LYS A 16 -2.950 2.315 13.944 1.00 0.00 H new ATOM 0 HA LYS A 16 -5.135 4.103 14.015 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -3.134 3.648 15.644 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -2.355 4.923 14.729 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -4.346 6.408 15.140 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -5.080 5.136 16.097 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -4.002 6.031 17.889 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -2.532 5.345 17.227 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -3.506 8.044 16.238 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.644 7.937 17.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -1.138 8.346 15.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -0.817 6.828 16.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -1.653 6.931 15.142 1.00 0.00 H new ATOM 219 N GLU A 17 -2.861 4.709 11.772 1.00 0.00 N ATOM 220 CA GLU A 17 -2.558 5.513 10.600 1.00 0.00 C ATOM 221 C GLU A 17 -3.597 5.268 9.504 1.00 0.00 C ATOM 222 O GLU A 17 -4.155 4.176 9.406 1.00 0.00 O ATOM 223 CB GLU A 17 -1.144 5.226 10.089 1.00 0.00 C ATOM 224 CG GLU A 17 -0.091 5.821 11.026 1.00 0.00 C ATOM 225 CD GLU A 17 -0.176 7.348 11.047 1.00 0.00 C ATOM 226 OE1 GLU A 17 0.122 7.948 9.992 1.00 0.00 O ATOM 227 OE2 GLU A 17 -0.537 7.882 12.119 1.00 0.00 O ATOM 0 H GLU A 17 -2.231 3.921 11.924 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.600 6.564 10.884 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.995 4.149 10.006 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.023 5.643 9.089 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.234 5.431 12.034 1.00 0.00 H new ATOM 0 HG3 GLU A 17 0.904 5.513 10.703 1.00 0.00 H new ATOM 234 N LYS A 18 -3.826 6.302 8.708 1.00 0.00 N ATOM 235 CA LYS A 18 -4.788 6.212 7.623 1.00 0.00 C ATOM 236 C LYS A 18 -4.269 7.002 6.420 1.00 0.00 C ATOM 237 O LYS A 18 -3.692 8.076 6.580 1.00 0.00 O ATOM 238 CB LYS A 18 -6.174 6.656 8.098 1.00 0.00 C ATOM 239 CG LYS A 18 -7.166 6.696 6.934 1.00 0.00 C ATOM 240 CD LYS A 18 -8.594 6.446 7.422 1.00 0.00 C ATOM 241 CE LYS A 18 -9.091 5.068 6.981 1.00 0.00 C ATOM 242 NZ LYS A 18 -10.559 4.970 7.144 1.00 0.00 N ATOM 0 H LYS A 18 -3.362 7.206 8.793 1.00 0.00 H new ATOM 0 HA LYS A 18 -4.902 5.177 7.300 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -6.536 5.972 8.865 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -6.106 7.642 8.557 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -7.112 7.665 6.438 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -6.894 5.944 6.194 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -8.628 6.518 8.509 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -9.256 7.218 7.030 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -8.822 4.894 5.939 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -8.601 4.293 7.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -10.880 4.029 6.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -10.808 5.115 8.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -11.022 5.698 6.563 1.00 0.00 H new ATOM 256 N PHE A 19 -4.493 6.438 5.242 1.00 0.00 N ATOM 257 CA PHE A 19 -4.055 7.076 4.012 1.00 0.00 C ATOM 258 C PHE A 19 -5.156 7.033 2.950 1.00 0.00 C ATOM 259 O PHE A 19 -5.482 5.966 2.432 1.00 0.00 O ATOM 260 CB PHE A 19 -2.844 6.290 3.507 1.00 0.00 C ATOM 261 CG PHE A 19 -1.678 6.240 4.496 1.00 0.00 C ATOM 262 CD1 PHE A 19 -0.786 7.266 4.548 1.00 0.00 C ATOM 263 CD2 PHE A 19 -1.532 5.171 5.324 1.00 0.00 C ATOM 264 CE1 PHE A 19 0.296 7.220 5.465 1.00 0.00 C ATOM 265 CE2 PHE A 19 -0.450 5.125 6.241 1.00 0.00 C ATOM 266 CZ PHE A 19 0.442 6.151 6.293 1.00 0.00 C ATOM 0 H PHE A 19 -4.972 5.547 5.113 1.00 0.00 H new ATOM 0 HA PHE A 19 -3.811 8.121 4.201 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -3.155 5.271 3.277 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.497 6.736 2.575 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -0.901 8.116 3.891 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -2.240 4.357 5.284 1.00 0.00 H new ATOM 0 HE1 PHE A 19 1.004 8.034 5.505 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -0.335 4.275 6.898 1.00 0.00 H new ATOM 0 HZ PHE A 19 1.265 6.117 6.991 1.00 0.00 H new ATOM 276 N GLU A 20 -5.698 8.206 2.657 1.00 0.00 N ATOM 277 CA GLU A 20 -6.754 8.315 1.666 1.00 0.00 C ATOM 278 C GLU A 20 -6.324 9.247 0.531 1.00 0.00 C ATOM 279 O GLU A 20 -6.011 10.413 0.766 1.00 0.00 O ATOM 280 CB GLU A 20 -8.058 8.797 2.305 1.00 0.00 C ATOM 281 CG GLU A 20 -8.466 7.890 3.468 1.00 0.00 C ATOM 282 CD GLU A 20 -9.649 8.483 4.237 1.00 0.00 C ATOM 283 OE1 GLU A 20 -10.769 8.426 3.687 1.00 0.00 O ATOM 284 OE2 GLU A 20 -9.405 8.978 5.358 1.00 0.00 O ATOM 0 H GLU A 20 -5.425 9.089 3.089 1.00 0.00 H new ATOM 0 HA GLU A 20 -6.936 7.325 1.248 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -7.936 9.820 2.662 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -8.850 8.813 1.556 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -8.732 6.903 3.088 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -7.620 7.755 4.142 1.00 0.00 H new ATOM 291 N GLY A 21 -6.321 8.697 -0.674 1.00 0.00 N ATOM 292 CA GLY A 21 -5.934 9.465 -1.846 1.00 0.00 C ATOM 293 C GLY A 21 -4.640 8.921 -2.454 1.00 0.00 C ATOM 294 O GLY A 21 -3.750 9.689 -2.817 1.00 0.00 O ATOM 0 H GLY A 21 -6.580 7.729 -0.865 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -6.732 9.430 -2.588 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -5.800 10.511 -1.572 1.00 0.00 H new ATOM 298 N VAL A 22 -4.575 7.601 -2.546 1.00 0.00 N ATOM 299 CA VAL A 22 -3.405 6.946 -3.104 1.00 0.00 C ATOM 300 C VAL A 22 -3.738 6.416 -4.500 1.00 0.00 C ATOM 301 O VAL A 22 -4.511 5.470 -4.640 1.00 0.00 O ATOM 302 CB VAL A 22 -2.913 5.854 -2.152 1.00 0.00 C ATOM 303 CG1 VAL A 22 -1.907 4.933 -2.847 1.00 0.00 C ATOM 304 CG2 VAL A 22 -2.313 6.463 -0.883 1.00 0.00 C ATOM 0 H VAL A 22 -5.315 6.967 -2.243 1.00 0.00 H new ATOM 0 HA VAL A 22 -2.586 7.657 -3.214 1.00 0.00 H new ATOM 0 HB VAL A 22 -3.773 5.251 -1.860 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.573 4.166 -2.148 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -2.381 4.459 -3.707 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -1.050 5.517 -3.181 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.971 5.666 -0.223 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -1.470 7.101 -1.149 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.070 7.057 -0.372 1.00 0.00 H new ATOM 314 N GLU A 23 -3.139 7.050 -5.498 1.00 0.00 N ATOM 315 CA GLU A 23 -3.364 6.654 -6.878 1.00 0.00 C ATOM 316 C GLU A 23 -2.821 5.244 -7.120 1.00 0.00 C ATOM 317 O GLU A 23 -1.618 5.011 -7.010 1.00 0.00 O ATOM 318 CB GLU A 23 -2.734 7.658 -7.845 1.00 0.00 C ATOM 319 CG GLU A 23 -3.471 8.998 -7.801 1.00 0.00 C ATOM 320 CD GLU A 23 -2.962 9.866 -6.649 1.00 0.00 C ATOM 321 OE1 GLU A 23 -1.734 10.096 -6.611 1.00 0.00 O ATOM 322 OE2 GLU A 23 -3.812 10.281 -5.832 1.00 0.00 O ATOM 0 H GLU A 23 -2.498 7.835 -5.378 1.00 0.00 H new ATOM 0 HA GLU A 23 -4.438 6.645 -7.064 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.685 7.807 -7.588 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.760 7.258 -8.858 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -3.333 9.524 -8.746 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -4.541 8.825 -7.685 1.00 0.00 H new ATOM 329 N LEU A 24 -3.734 4.341 -7.447 1.00 0.00 N ATOM 330 CA LEU A 24 -3.362 2.961 -7.706 1.00 0.00 C ATOM 331 C LEU A 24 -3.435 2.691 -9.210 1.00 0.00 C ATOM 332 O LEU A 24 -4.198 3.340 -9.924 1.00 0.00 O ATOM 333 CB LEU A 24 -4.217 2.009 -6.868 1.00 0.00 C ATOM 334 CG LEU A 24 -4.335 0.576 -7.391 1.00 0.00 C ATOM 335 CD1 LEU A 24 -3.220 -0.307 -6.828 1.00 0.00 C ATOM 336 CD2 LEU A 24 -5.723 -0.001 -7.104 1.00 0.00 C ATOM 0 H LEU A 24 -4.731 4.539 -7.538 1.00 0.00 H new ATOM 0 HA LEU A 24 -2.332 2.780 -7.399 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -3.804 1.974 -5.860 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.220 2.429 -6.787 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.213 0.597 -8.474 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -3.327 -1.320 -7.216 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.252 0.095 -7.126 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.285 -0.326 -5.740 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -5.779 -1.020 -7.486 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.899 -0.006 -6.028 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.480 0.612 -7.593 1.00 0.00 H new ATOM 348 N ASN A 25 -2.632 1.732 -9.647 1.00 0.00 N ATOM 349 CA ASN A 25 -2.597 1.368 -11.053 1.00 0.00 C ATOM 350 C ASN A 25 -2.724 -0.150 -11.186 1.00 0.00 C ATOM 351 O ASN A 25 -2.244 -0.894 -10.332 1.00 0.00 O ATOM 352 CB ASN A 25 -1.275 1.791 -11.698 1.00 0.00 C ATOM 353 CG ASN A 25 -0.116 1.660 -10.709 1.00 0.00 C ATOM 354 OD1 ASN A 25 0.033 0.668 -10.014 1.00 0.00 O ATOM 355 ND2 ASN A 25 0.695 2.713 -10.683 1.00 0.00 N ATOM 0 H ASN A 25 -2.000 1.196 -9.052 1.00 0.00 H new ATOM 0 HA ASN A 25 -3.421 1.876 -11.554 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -1.081 1.174 -12.575 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -1.348 2.822 -12.043 1.00 0.00 H new ATOM 0 HD21 ASN A 25 1.499 2.722 -10.055 1.00 0.00 H new ATOM 0 HD22 ASN A 25 0.514 3.512 -11.291 1.00 0.00 H new ATOM 362 N THR A 26 -3.373 -0.566 -12.264 1.00 0.00 N ATOM 363 CA THR A 26 -3.569 -1.983 -12.520 1.00 0.00 C ATOM 364 C THR A 26 -2.658 -2.450 -13.657 1.00 0.00 C ATOM 365 O THR A 26 -2.069 -3.527 -13.583 1.00 0.00 O ATOM 366 CB THR A 26 -5.056 -2.211 -12.799 1.00 0.00 C ATOM 367 OG1 THR A 26 -5.471 -1.022 -13.466 1.00 0.00 O ATOM 368 CG2 THR A 26 -5.895 -2.234 -11.520 1.00 0.00 C ATOM 0 H THR A 26 -3.770 0.054 -12.970 1.00 0.00 H new ATOM 0 HA THR A 26 -3.290 -2.584 -11.655 1.00 0.00 H new ATOM 0 HB THR A 26 -5.184 -3.152 -13.334 1.00 0.00 H new ATOM 0 HG1 THR A 26 -6.078 -0.517 -12.886 1.00 0.00 H new ATOM 0 HG21 THR A 26 -6.942 -2.399 -11.775 1.00 0.00 H new ATOM 0 HG22 THR A 26 -5.548 -3.039 -10.872 1.00 0.00 H new ATOM 0 HG23 THR A 26 -5.793 -1.281 -11.001 1.00 0.00 H new ATOM 376 N ASP A 27 -2.572 -1.617 -14.684 1.00 0.00 N ATOM 377 CA ASP A 27 -1.743 -1.932 -15.835 1.00 0.00 C ATOM 378 C ASP A 27 -0.402 -2.490 -15.356 1.00 0.00 C ATOM 379 O ASP A 27 0.250 -3.249 -16.071 1.00 0.00 O ATOM 380 CB ASP A 27 -1.463 -0.681 -16.670 1.00 0.00 C ATOM 381 CG ASP A 27 -1.823 -0.798 -18.153 1.00 0.00 C ATOM 382 OD1 ASP A 27 -1.661 -1.915 -18.689 1.00 0.00 O ATOM 383 OD2 ASP A 27 -2.253 0.232 -18.716 1.00 0.00 O ATOM 0 H ASP A 27 -3.063 -0.725 -14.743 1.00 0.00 H new ATOM 0 HA ASP A 27 -2.276 -2.662 -16.445 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -2.017 0.154 -16.242 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -0.404 -0.437 -16.587 1.00 0.00 H new ATOM 388 N GLU A 28 -0.031 -2.094 -14.147 1.00 0.00 N ATOM 389 CA GLU A 28 1.221 -2.546 -13.563 1.00 0.00 C ATOM 390 C GLU A 28 0.953 -3.583 -12.471 1.00 0.00 C ATOM 391 O GLU A 28 -0.193 -3.793 -12.077 1.00 0.00 O ATOM 392 CB GLU A 28 2.027 -1.367 -13.014 1.00 0.00 C ATOM 393 CG GLU A 28 1.147 -0.125 -12.861 1.00 0.00 C ATOM 394 CD GLU A 28 0.732 0.425 -14.227 1.00 0.00 C ATOM 395 OE1 GLU A 28 1.634 0.920 -14.937 1.00 0.00 O ATOM 396 OE2 GLU A 28 -0.477 0.338 -14.531 1.00 0.00 O ATOM 0 H GLU A 28 -0.575 -1.465 -13.556 1.00 0.00 H new ATOM 0 HA GLU A 28 1.816 -3.017 -14.346 1.00 0.00 H new ATOM 0 HB2 GLU A 28 2.457 -1.634 -12.048 1.00 0.00 H new ATOM 0 HB3 GLU A 28 2.859 -1.147 -13.683 1.00 0.00 H new ATOM 0 HG2 GLU A 28 0.259 -0.374 -12.280 1.00 0.00 H new ATOM 0 HG3 GLU A 28 1.687 0.641 -12.305 1.00 0.00 H new ATOM 403 N PRO A 29 2.058 -4.221 -12.000 1.00 0.00 N ATOM 404 CA PRO A 29 1.954 -5.231 -10.961 1.00 0.00 C ATOM 405 C PRO A 29 1.701 -4.589 -9.596 1.00 0.00 C ATOM 406 O PRO A 29 1.739 -3.367 -9.464 1.00 0.00 O ATOM 407 CB PRO A 29 3.266 -5.997 -11.024 1.00 0.00 C ATOM 408 CG PRO A 29 4.237 -5.099 -11.773 1.00 0.00 C ATOM 409 CD PRO A 29 3.432 -3.998 -12.444 1.00 0.00 C ATOM 0 HA PRO A 29 1.109 -5.903 -11.110 1.00 0.00 H new ATOM 0 HB2 PRO A 29 3.635 -6.223 -10.023 1.00 0.00 H new ATOM 0 HB3 PRO A 29 3.138 -6.949 -11.539 1.00 0.00 H new ATOM 0 HG2 PRO A 29 4.969 -4.673 -11.087 1.00 0.00 H new ATOM 0 HG3 PRO A 29 4.792 -5.672 -12.515 1.00 0.00 H new ATOM 0 HD2 PRO A 29 3.788 -3.011 -12.149 1.00 0.00 H new ATOM 0 HD3 PRO A 29 3.512 -4.055 -13.530 1.00 0.00 H new ATOM 417 N PRO A 30 1.441 -5.465 -8.588 1.00 0.00 N ATOM 418 CA PRO A 30 1.182 -4.996 -7.238 1.00 0.00 C ATOM 419 C PRO A 30 2.475 -4.543 -6.557 1.00 0.00 C ATOM 420 O PRO A 30 2.436 -3.872 -5.526 1.00 0.00 O ATOM 421 CB PRO A 30 0.520 -6.170 -6.534 1.00 0.00 C ATOM 422 CG PRO A 30 0.853 -7.397 -7.368 1.00 0.00 C ATOM 423 CD PRO A 30 1.388 -6.919 -8.708 1.00 0.00 C ATOM 0 HA PRO A 30 0.536 -4.118 -7.215 1.00 0.00 H new ATOM 0 HB2 PRO A 30 0.894 -6.276 -5.516 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -0.558 -6.026 -6.464 1.00 0.00 H new ATOM 0 HG2 PRO A 30 1.594 -8.014 -6.860 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -0.034 -8.015 -7.509 1.00 0.00 H new ATOM 0 HD2 PRO A 30 2.374 -7.336 -8.912 1.00 0.00 H new ATOM 0 HD3 PRO A 30 0.737 -7.225 -9.527 1.00 0.00 H new ATOM 431 N MET A 31 3.590 -4.927 -7.160 1.00 0.00 N ATOM 432 CA MET A 31 4.892 -4.568 -6.625 1.00 0.00 C ATOM 433 C MET A 31 5.062 -3.048 -6.568 1.00 0.00 C ATOM 434 O MET A 31 5.788 -2.533 -5.719 1.00 0.00 O ATOM 435 CB MET A 31 5.989 -5.171 -7.505 1.00 0.00 C ATOM 436 CG MET A 31 5.690 -6.637 -7.827 1.00 0.00 C ATOM 437 SD MET A 31 7.201 -7.586 -7.814 1.00 0.00 S ATOM 438 CE MET A 31 7.104 -8.302 -6.182 1.00 0.00 C ATOM 0 H MET A 31 3.619 -5.483 -8.014 1.00 0.00 H new ATOM 0 HA MET A 31 4.968 -4.962 -5.611 1.00 0.00 H new ATOM 0 HB2 MET A 31 6.072 -4.601 -8.431 1.00 0.00 H new ATOM 0 HB3 MET A 31 6.950 -5.095 -6.997 1.00 0.00 H new ATOM 0 HG2 MET A 31 4.990 -7.043 -7.097 1.00 0.00 H new ATOM 0 HG3 MET A 31 5.212 -6.713 -8.803 1.00 0.00 H new ATOM 0 HE1 MET A 31 7.886 -7.879 -5.552 1.00 0.00 H new ATOM 0 HE2 MET A 31 6.129 -8.083 -5.746 1.00 0.00 H new ATOM 0 HE3 MET A 31 7.237 -9.382 -6.250 1.00 0.00 H new ATOM 448 N VAL A 32 4.379 -2.374 -7.482 1.00 0.00 N ATOM 449 CA VAL A 32 4.445 -0.924 -7.545 1.00 0.00 C ATOM 450 C VAL A 32 3.591 -0.329 -6.424 1.00 0.00 C ATOM 451 O VAL A 32 4.097 0.401 -5.573 1.00 0.00 O ATOM 452 CB VAL A 32 4.027 -0.442 -8.936 1.00 0.00 C ATOM 453 CG1 VAL A 32 4.433 1.017 -9.156 1.00 0.00 C ATOM 454 CG2 VAL A 32 4.609 -1.343 -10.027 1.00 0.00 C ATOM 0 H VAL A 32 3.778 -2.805 -8.184 1.00 0.00 H new ATOM 0 HA VAL A 32 5.468 -0.581 -7.390 1.00 0.00 H new ATOM 0 HB VAL A 32 2.940 -0.501 -8.998 1.00 0.00 H new ATOM 0 HG11 VAL A 32 4.124 1.334 -10.152 1.00 0.00 H new ATOM 0 HG12 VAL A 32 3.949 1.646 -8.409 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.515 1.111 -9.064 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.296 -0.978 -11.005 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.697 -1.332 -9.966 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.248 -2.362 -9.888 1.00 0.00 H new ATOM 464 N PHE A 33 2.309 -0.663 -6.460 1.00 0.00 N ATOM 465 CA PHE A 33 1.380 -0.170 -5.457 1.00 0.00 C ATOM 466 C PHE A 33 1.916 -0.414 -4.045 1.00 0.00 C ATOM 467 O PHE A 33 1.623 0.348 -3.126 1.00 0.00 O ATOM 468 CB PHE A 33 0.075 -0.950 -5.636 1.00 0.00 C ATOM 469 CG PHE A 33 -1.001 -0.607 -4.604 1.00 0.00 C ATOM 470 CD1 PHE A 33 -1.653 0.585 -4.672 1.00 0.00 C ATOM 471 CD2 PHE A 33 -1.306 -1.494 -3.619 1.00 0.00 C ATOM 472 CE1 PHE A 33 -2.652 0.903 -3.714 1.00 0.00 C ATOM 473 CE2 PHE A 33 -2.305 -1.175 -2.661 1.00 0.00 C ATOM 474 CZ PHE A 33 -2.957 0.016 -2.729 1.00 0.00 C ATOM 0 H PHE A 33 1.892 -1.268 -7.167 1.00 0.00 H new ATOM 0 HA PHE A 33 1.234 0.903 -5.580 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -0.318 -0.756 -6.634 1.00 0.00 H new ATOM 0 HB3 PHE A 33 0.291 -2.017 -5.580 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -1.411 1.289 -5.454 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -0.789 -2.441 -3.565 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -3.170 1.849 -3.768 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -2.547 -1.879 -1.878 1.00 0.00 H new ATOM 0 HZ PHE A 33 -3.717 0.258 -2.001 1.00 0.00 H new ATOM 484 N LYS A 34 2.692 -1.481 -3.918 1.00 0.00 N ATOM 485 CA LYS A 34 3.272 -1.834 -2.634 1.00 0.00 C ATOM 486 C LYS A 34 4.563 -1.040 -2.425 1.00 0.00 C ATOM 487 O LYS A 34 5.004 -0.851 -1.293 1.00 0.00 O ATOM 488 CB LYS A 34 3.459 -3.349 -2.529 1.00 0.00 C ATOM 489 CG LYS A 34 2.112 -4.059 -2.383 1.00 0.00 C ATOM 490 CD LYS A 34 2.271 -5.394 -1.652 1.00 0.00 C ATOM 491 CE LYS A 34 1.094 -6.325 -1.948 1.00 0.00 C ATOM 492 NZ LYS A 34 1.243 -7.599 -1.208 1.00 0.00 N ATOM 0 H LYS A 34 2.932 -2.112 -4.683 1.00 0.00 H new ATOM 0 HA LYS A 34 2.596 -1.562 -1.824 1.00 0.00 H new ATOM 0 HB2 LYS A 34 3.974 -3.718 -3.416 1.00 0.00 H new ATOM 0 HB3 LYS A 34 4.092 -3.582 -1.673 1.00 0.00 H new ATOM 0 HG2 LYS A 34 1.418 -3.421 -1.835 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.678 -4.229 -3.368 1.00 0.00 H new ATOM 0 HD2 LYS A 34 3.202 -5.871 -1.957 1.00 0.00 H new ATOM 0 HD3 LYS A 34 2.340 -5.219 -0.578 1.00 0.00 H new ATOM 0 HE2 LYS A 34 0.159 -5.841 -1.666 1.00 0.00 H new ATOM 0 HE3 LYS A 34 1.040 -6.523 -3.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 0.737 -8.355 -1.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 2.251 -7.844 -1.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 0.845 -7.494 -0.253 1.00 0.00 H new ATOM 506 N ALA A 35 5.133 -0.596 -3.536 1.00 0.00 N ATOM 507 CA ALA A 35 6.364 0.174 -3.490 1.00 0.00 C ATOM 508 C ALA A 35 6.070 1.565 -2.925 1.00 0.00 C ATOM 509 O ALA A 35 6.913 2.156 -2.252 1.00 0.00 O ATOM 510 CB ALA A 35 6.983 0.232 -4.888 1.00 0.00 C ATOM 0 H ALA A 35 4.765 -0.755 -4.474 1.00 0.00 H new ATOM 0 HA ALA A 35 7.090 -0.303 -2.831 1.00 0.00 H new ATOM 0 HB1 ALA A 35 7.907 0.810 -4.853 1.00 0.00 H new ATOM 0 HB2 ALA A 35 7.200 -0.779 -5.232 1.00 0.00 H new ATOM 0 HB3 ALA A 35 6.284 0.707 -5.576 1.00 0.00 H new ATOM 516 N GLN A 36 4.872 2.047 -3.219 1.00 0.00 N ATOM 517 CA GLN A 36 4.456 3.357 -2.749 1.00 0.00 C ATOM 518 C GLN A 36 4.114 3.303 -1.259 1.00 0.00 C ATOM 519 O GLN A 36 4.519 4.175 -0.493 1.00 0.00 O ATOM 520 CB GLN A 36 3.272 3.883 -3.564 1.00 0.00 C ATOM 521 CG GLN A 36 2.735 5.187 -2.973 1.00 0.00 C ATOM 522 CD GLN A 36 1.489 5.659 -3.726 1.00 0.00 C ATOM 523 OE1 GLN A 36 1.346 5.466 -4.922 1.00 0.00 O ATOM 524 NE2 GLN A 36 0.600 6.286 -2.962 1.00 0.00 N ATOM 0 H GLN A 36 4.176 1.553 -3.777 1.00 0.00 H new ATOM 0 HA GLN A 36 5.286 4.050 -2.887 1.00 0.00 H new ATOM 0 HB2 GLN A 36 3.581 4.048 -4.596 1.00 0.00 H new ATOM 0 HB3 GLN A 36 2.479 3.135 -3.584 1.00 0.00 H new ATOM 0 HG2 GLN A 36 2.494 5.041 -1.920 1.00 0.00 H new ATOM 0 HG3 GLN A 36 3.506 5.956 -3.020 1.00 0.00 H new ATOM 0 HE21 GLN A 36 0.783 6.414 -1.967 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -0.265 6.639 -3.371 1.00 0.00 H new ATOM 533 N LEU A 37 3.371 2.268 -0.892 1.00 0.00 N ATOM 534 CA LEU A 37 2.970 2.088 0.493 1.00 0.00 C ATOM 535 C LEU A 37 4.215 2.084 1.383 1.00 0.00 C ATOM 536 O LEU A 37 4.164 2.527 2.529 1.00 0.00 O ATOM 537 CB LEU A 37 2.104 0.836 0.641 1.00 0.00 C ATOM 538 CG LEU A 37 0.751 0.868 -0.072 1.00 0.00 C ATOM 539 CD1 LEU A 37 -0.298 0.069 0.705 1.00 0.00 C ATOM 540 CD2 LEU A 37 0.300 2.308 -0.329 1.00 0.00 C ATOM 0 H LEU A 37 3.037 1.546 -1.530 1.00 0.00 H new ATOM 0 HA LEU A 37 2.346 2.919 0.821 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.669 -0.018 0.268 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.929 0.663 1.703 1.00 0.00 H new ATOM 0 HG LEU A 37 0.866 0.388 -1.044 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.250 0.108 0.176 1.00 0.00 H new ATOM 0 HD12 LEU A 37 0.026 -0.968 0.793 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.418 0.497 1.700 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -0.664 2.302 -0.837 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.207 2.835 0.621 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.036 2.814 -0.954 1.00 0.00 H new ATOM 552 N PHE A 38 5.303 1.579 0.822 1.00 0.00 N ATOM 553 CA PHE A 38 6.559 1.511 1.550 1.00 0.00 C ATOM 554 C PHE A 38 7.022 2.906 1.974 1.00 0.00 C ATOM 555 O PHE A 38 7.649 3.065 3.021 1.00 0.00 O ATOM 556 CB PHE A 38 7.595 0.909 0.600 1.00 0.00 C ATOM 557 CG PHE A 38 8.988 0.754 1.215 1.00 0.00 C ATOM 558 CD1 PHE A 38 9.123 0.581 2.558 1.00 0.00 C ATOM 559 CD2 PHE A 38 10.090 0.790 0.420 1.00 0.00 C ATOM 560 CE1 PHE A 38 10.415 0.437 3.129 1.00 0.00 C ATOM 561 CE2 PHE A 38 11.383 0.646 0.991 1.00 0.00 C ATOM 562 CZ PHE A 38 11.517 0.473 2.333 1.00 0.00 C ATOM 0 H PHE A 38 5.341 1.213 -0.129 1.00 0.00 H new ATOM 0 HA PHE A 38 6.435 0.909 2.450 1.00 0.00 H new ATOM 0 HB2 PHE A 38 7.244 -0.069 0.269 1.00 0.00 H new ATOM 0 HB3 PHE A 38 7.669 1.538 -0.287 1.00 0.00 H new ATOM 0 HD1 PHE A 38 8.247 0.553 3.190 1.00 0.00 H new ATOM 0 HD2 PHE A 38 9.983 0.928 -0.646 1.00 0.00 H new ATOM 0 HE1 PHE A 38 10.522 0.299 4.195 1.00 0.00 H new ATOM 0 HE2 PHE A 38 12.259 0.674 0.360 1.00 0.00 H new ATOM 0 HZ PHE A 38 12.500 0.364 2.767 1.00 0.00 H new ATOM 572 N ALA A 39 6.696 3.882 1.140 1.00 0.00 N ATOM 573 CA ALA A 39 7.071 5.259 1.415 1.00 0.00 C ATOM 574 C ALA A 39 5.940 5.948 2.181 1.00 0.00 C ATOM 575 O ALA A 39 6.085 7.090 2.615 1.00 0.00 O ATOM 576 CB ALA A 39 7.404 5.970 0.101 1.00 0.00 C ATOM 0 H ALA A 39 6.176 3.747 0.273 1.00 0.00 H new ATOM 0 HA ALA A 39 7.963 5.296 2.041 1.00 0.00 H new ATOM 0 HB1 ALA A 39 7.685 7.003 0.307 1.00 0.00 H new ATOM 0 HB2 ALA A 39 8.233 5.459 -0.389 1.00 0.00 H new ATOM 0 HB3 ALA A 39 6.531 5.955 -0.552 1.00 0.00 H new ATOM 582 N LEU A 40 4.839 5.225 2.324 1.00 0.00 N ATOM 583 CA LEU A 40 3.684 5.752 3.030 1.00 0.00 C ATOM 584 C LEU A 40 3.900 5.601 4.537 1.00 0.00 C ATOM 585 O LEU A 40 3.796 6.573 5.283 1.00 0.00 O ATOM 586 CB LEU A 40 2.399 5.093 2.523 1.00 0.00 C ATOM 587 CG LEU A 40 1.873 5.596 1.178 1.00 0.00 C ATOM 588 CD1 LEU A 40 0.425 5.155 0.955 1.00 0.00 C ATOM 589 CD2 LEU A 40 2.035 7.113 1.058 1.00 0.00 C ATOM 0 H LEU A 40 4.723 4.278 1.963 1.00 0.00 H new ATOM 0 HA LEU A 40 3.569 6.817 2.830 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.571 4.020 2.445 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.620 5.237 3.272 1.00 0.00 H new ATOM 0 HG LEU A 40 2.472 5.145 0.387 1.00 0.00 H new ATOM 0 HD11 LEU A 40 0.076 5.526 -0.009 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.370 4.066 0.966 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.204 5.558 1.749 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.653 7.444 0.092 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.477 7.603 1.856 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.090 7.374 1.140 1.00 0.00 H new ATOM 601 N THR A 41 4.196 4.374 4.939 1.00 0.00 N ATOM 602 CA THR A 41 4.428 4.082 6.344 1.00 0.00 C ATOM 603 C THR A 41 5.906 3.770 6.588 1.00 0.00 C ATOM 604 O THR A 41 6.517 4.319 7.503 1.00 0.00 O ATOM 605 CB THR A 41 3.492 2.943 6.751 1.00 0.00 C ATOM 606 OG1 THR A 41 4.069 1.787 6.150 1.00 0.00 O ATOM 607 CG2 THR A 41 2.114 3.054 6.095 1.00 0.00 C ATOM 0 H THR A 41 4.281 3.570 4.317 1.00 0.00 H new ATOM 0 HA THR A 41 4.203 4.946 6.969 1.00 0.00 H new ATOM 0 HB THR A 41 3.379 2.937 7.835 1.00 0.00 H new ATOM 0 HG1 THR A 41 3.820 1.752 5.203 1.00 0.00 H new ATOM 0 HG21 THR A 41 1.489 2.221 6.418 1.00 0.00 H new ATOM 0 HG22 THR A 41 1.646 3.994 6.388 1.00 0.00 H new ATOM 0 HG23 THR A 41 2.224 3.026 5.011 1.00 0.00 H new ATOM 615 N GLY A 42 6.437 2.890 5.752 1.00 0.00 N ATOM 616 CA GLY A 42 7.832 2.499 5.865 1.00 0.00 C ATOM 617 C GLY A 42 7.977 0.976 5.849 1.00 0.00 C ATOM 618 O GLY A 42 9.092 0.455 5.862 1.00 0.00 O ATOM 0 H GLY A 42 5.927 2.437 4.994 1.00 0.00 H new ATOM 0 HA2 GLY A 42 8.402 2.931 5.043 1.00 0.00 H new ATOM 0 HA3 GLY A 42 8.252 2.898 6.788 1.00 0.00 H new ATOM 622 N VAL A 43 6.835 0.305 5.820 1.00 0.00 N ATOM 623 CA VAL A 43 6.821 -1.148 5.801 1.00 0.00 C ATOM 624 C VAL A 43 7.150 -1.639 4.390 1.00 0.00 C ATOM 625 O VAL A 43 6.474 -1.276 3.429 1.00 0.00 O ATOM 626 CB VAL A 43 5.476 -1.665 6.315 1.00 0.00 C ATOM 627 CG1 VAL A 43 5.393 -3.188 6.198 1.00 0.00 C ATOM 628 CG2 VAL A 43 5.229 -1.212 7.756 1.00 0.00 C ATOM 0 H VAL A 43 5.913 0.741 5.809 1.00 0.00 H new ATOM 0 HA VAL A 43 7.584 -1.546 6.470 1.00 0.00 H new ATOM 0 HB VAL A 43 4.692 -1.238 5.690 1.00 0.00 H new ATOM 0 HG11 VAL A 43 4.427 -3.529 6.570 1.00 0.00 H new ATOM 0 HG12 VAL A 43 5.503 -3.479 5.153 1.00 0.00 H new ATOM 0 HG13 VAL A 43 6.190 -3.642 6.787 1.00 0.00 H new ATOM 0 HG21 VAL A 43 4.266 -1.593 8.097 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.020 -1.597 8.399 1.00 0.00 H new ATOM 0 HG23 VAL A 43 5.224 -0.123 7.799 1.00 0.00 H new ATOM 638 N GLN A 44 8.190 -2.457 4.310 1.00 0.00 N ATOM 639 CA GLN A 44 8.617 -3.001 3.032 1.00 0.00 C ATOM 640 C GLN A 44 7.434 -3.644 2.307 1.00 0.00 C ATOM 641 O GLN A 44 6.470 -4.072 2.941 1.00 0.00 O ATOM 642 CB GLN A 44 9.757 -4.004 3.218 1.00 0.00 C ATOM 643 CG GLN A 44 11.065 -3.290 3.566 1.00 0.00 C ATOM 644 CD GLN A 44 11.076 -2.851 5.031 1.00 0.00 C ATOM 645 OE1 GLN A 44 10.355 -1.958 5.444 1.00 0.00 O ATOM 646 NE2 GLN A 44 11.933 -3.527 5.792 1.00 0.00 N ATOM 0 H GLN A 44 8.749 -2.756 5.109 1.00 0.00 H new ATOM 0 HA GLN A 44 8.993 -2.183 2.418 1.00 0.00 H new ATOM 0 HB2 GLN A 44 9.501 -4.708 4.010 1.00 0.00 H new ATOM 0 HB3 GLN A 44 9.888 -4.585 2.305 1.00 0.00 H new ATOM 0 HG2 GLN A 44 11.908 -3.954 3.375 1.00 0.00 H new ATOM 0 HG3 GLN A 44 11.192 -2.421 2.921 1.00 0.00 H new ATOM 0 HE21 GLN A 44 12.508 -4.264 5.382 1.00 0.00 H new ATOM 0 HE22 GLN A 44 12.015 -3.309 6.785 1.00 0.00 H new ATOM 655 N PRO A 45 7.547 -3.692 0.953 1.00 0.00 N ATOM 656 CA PRO A 45 6.498 -4.276 0.134 1.00 0.00 C ATOM 657 C PRO A 45 6.517 -5.803 0.225 1.00 0.00 C ATOM 658 O PRO A 45 5.846 -6.483 -0.550 1.00 0.00 O ATOM 659 CB PRO A 45 6.763 -3.761 -1.271 1.00 0.00 C ATOM 660 CG PRO A 45 8.209 -3.290 -1.277 1.00 0.00 C ATOM 661 CD PRO A 45 8.673 -3.195 0.168 1.00 0.00 C ATOM 0 HA PRO A 45 5.499 -3.993 0.466 1.00 0.00 H new ATOM 0 HB2 PRO A 45 6.605 -4.546 -2.011 1.00 0.00 H new ATOM 0 HB3 PRO A 45 6.085 -2.945 -1.522 1.00 0.00 H new ATOM 0 HG2 PRO A 45 8.835 -3.987 -1.834 1.00 0.00 H new ATOM 0 HG3 PRO A 45 8.293 -2.321 -1.770 1.00 0.00 H new ATOM 0 HD2 PRO A 45 9.568 -3.794 0.337 1.00 0.00 H new ATOM 0 HD3 PRO A 45 8.921 -2.168 0.437 1.00 0.00 H new ATOM 669 N ALA A 46 7.293 -6.297 1.178 1.00 0.00 N ATOM 670 CA ALA A 46 7.408 -7.732 1.380 1.00 0.00 C ATOM 671 C ALA A 46 6.974 -8.078 2.806 1.00 0.00 C ATOM 672 O ALA A 46 7.051 -9.234 3.219 1.00 0.00 O ATOM 673 CB ALA A 46 8.841 -8.176 1.083 1.00 0.00 C ATOM 0 H ALA A 46 7.848 -5.730 1.819 1.00 0.00 H new ATOM 0 HA ALA A 46 6.752 -8.270 0.696 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.927 -9.252 1.234 1.00 0.00 H new ATOM 0 HB2 ALA A 46 9.090 -7.934 0.050 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.528 -7.659 1.753 1.00 0.00 H new ATOM 679 N ARG A 47 6.527 -7.054 3.520 1.00 0.00 N ATOM 680 CA ARG A 47 6.081 -7.236 4.890 1.00 0.00 C ATOM 681 C ARG A 47 4.605 -6.856 5.023 1.00 0.00 C ATOM 682 O ARG A 47 3.849 -7.524 5.728 1.00 0.00 O ATOM 683 CB ARG A 47 6.908 -6.385 5.856 1.00 0.00 C ATOM 684 CG ARG A 47 8.389 -6.404 5.473 1.00 0.00 C ATOM 685 CD ARG A 47 9.133 -7.516 6.216 1.00 0.00 C ATOM 686 NE ARG A 47 9.468 -8.613 5.280 1.00 0.00 N ATOM 687 CZ ARG A 47 8.741 -9.729 5.140 1.00 0.00 C ATOM 688 NH1 ARG A 47 7.633 -9.904 5.874 1.00 0.00 N ATOM 689 NH2 ARG A 47 9.121 -10.672 4.266 1.00 0.00 N ATOM 0 H ARG A 47 6.465 -6.096 3.175 1.00 0.00 H new ATOM 0 HA ARG A 47 6.213 -8.288 5.145 1.00 0.00 H new ATOM 0 HB2 ARG A 47 6.540 -5.359 5.849 1.00 0.00 H new ATOM 0 HB3 ARG A 47 6.787 -6.760 6.872 1.00 0.00 H new ATOM 0 HG2 ARG A 47 8.488 -6.551 4.397 1.00 0.00 H new ATOM 0 HG3 ARG A 47 8.841 -5.440 5.706 1.00 0.00 H new ATOM 0 HD2 ARG A 47 10.043 -7.119 6.665 1.00 0.00 H new ATOM 0 HD3 ARG A 47 8.516 -7.897 7.030 1.00 0.00 H new ATOM 0 HE ARG A 47 10.305 -8.513 4.706 1.00 0.00 H new ATOM 0 HH11 ARG A 47 7.343 -9.187 6.539 1.00 0.00 H new ATOM 0 HH12 ARG A 47 7.079 -10.754 5.767 1.00 0.00 H new ATOM 0 HH21 ARG A 47 9.964 -10.540 3.707 1.00 0.00 H new ATOM 0 HH22 ARG A 47 8.567 -11.522 4.160 1.00 0.00 H new ATOM 703 N GLN A 48 4.238 -5.786 4.334 1.00 0.00 N ATOM 704 CA GLN A 48 2.866 -5.309 4.366 1.00 0.00 C ATOM 705 C GLN A 48 1.932 -6.337 3.723 1.00 0.00 C ATOM 706 O GLN A 48 2.119 -6.713 2.567 1.00 0.00 O ATOM 707 CB GLN A 48 2.742 -3.949 3.676 1.00 0.00 C ATOM 708 CG GLN A 48 3.657 -3.869 2.453 1.00 0.00 C ATOM 709 CD GLN A 48 2.969 -3.135 1.300 1.00 0.00 C ATOM 710 OE1 GLN A 48 1.796 -3.322 1.023 1.00 0.00 O ATOM 711 NE2 GLN A 48 3.762 -2.292 0.645 1.00 0.00 N ATOM 0 H GLN A 48 4.867 -5.235 3.750 1.00 0.00 H new ATOM 0 HA GLN A 48 2.571 -5.179 5.407 1.00 0.00 H new ATOM 0 HB2 GLN A 48 1.708 -3.784 3.372 1.00 0.00 H new ATOM 0 HB3 GLN A 48 2.998 -3.156 4.379 1.00 0.00 H new ATOM 0 HG2 GLN A 48 4.580 -3.353 2.718 1.00 0.00 H new ATOM 0 HG3 GLN A 48 3.934 -4.874 2.135 1.00 0.00 H new ATOM 0 HE21 GLN A 48 4.736 -2.183 0.929 1.00 0.00 H new ATOM 0 HE22 GLN A 48 3.397 -1.755 -0.141 1.00 0.00 H new ATOM 720 N LYS A 49 0.947 -6.762 4.501 1.00 0.00 N ATOM 721 CA LYS A 49 -0.016 -7.739 4.023 1.00 0.00 C ATOM 722 C LYS A 49 -1.240 -7.010 3.464 1.00 0.00 C ATOM 723 O LYS A 49 -2.187 -6.729 4.197 1.00 0.00 O ATOM 724 CB LYS A 49 -0.349 -8.747 5.124 1.00 0.00 C ATOM 725 CG LYS A 49 -1.102 -9.952 4.556 1.00 0.00 C ATOM 726 CD LYS A 49 -2.003 -10.586 5.617 1.00 0.00 C ATOM 727 CE LYS A 49 -2.957 -11.604 4.989 1.00 0.00 C ATOM 728 NZ LYS A 49 -2.590 -12.978 5.399 1.00 0.00 N ATOM 0 H LYS A 49 0.795 -6.447 5.459 1.00 0.00 H new ATOM 0 HA LYS A 49 0.408 -8.324 3.207 1.00 0.00 H new ATOM 0 HB2 LYS A 49 0.570 -9.082 5.605 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -0.954 -8.265 5.892 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -1.704 -9.640 3.702 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -0.389 -10.691 4.190 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -1.390 -11.075 6.374 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -2.576 -9.810 6.124 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -3.981 -11.388 5.294 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -2.924 -11.521 3.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -3.247 -13.657 4.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -1.620 -13.186 5.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -2.645 -13.058 6.435 1.00 0.00 H new ATOM 742 N VAL A 50 -1.181 -6.726 2.172 1.00 0.00 N ATOM 743 CA VAL A 50 -2.274 -6.036 1.507 1.00 0.00 C ATOM 744 C VAL A 50 -3.371 -7.044 1.158 1.00 0.00 C ATOM 745 O VAL A 50 -3.234 -7.811 0.206 1.00 0.00 O ATOM 746 CB VAL A 50 -1.748 -5.278 0.286 1.00 0.00 C ATOM 747 CG1 VAL A 50 -2.846 -4.414 -0.337 1.00 0.00 C ATOM 748 CG2 VAL A 50 -0.525 -4.433 0.651 1.00 0.00 C ATOM 0 H VAL A 50 -0.394 -6.961 1.567 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.716 -5.292 2.170 1.00 0.00 H new ATOM 0 HB VAL A 50 -1.438 -6.012 -0.457 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.446 -3.886 -1.203 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.675 -5.049 -0.650 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -3.200 -3.691 0.397 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.171 -3.905 -0.234 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -0.798 -3.710 1.420 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.266 -5.082 1.027 1.00 0.00 H new ATOM 758 N MET A 51 -4.434 -7.009 1.947 1.00 0.00 N ATOM 759 CA MET A 51 -5.554 -7.910 1.733 1.00 0.00 C ATOM 760 C MET A 51 -6.447 -7.414 0.593 1.00 0.00 C ATOM 761 O MET A 51 -6.272 -6.300 0.103 1.00 0.00 O ATOM 762 CB MET A 51 -6.378 -8.015 3.018 1.00 0.00 C ATOM 763 CG MET A 51 -5.940 -9.221 3.852 1.00 0.00 C ATOM 764 SD MET A 51 -7.331 -10.302 4.139 1.00 0.00 S ATOM 765 CE MET A 51 -7.351 -11.197 2.595 1.00 0.00 C ATOM 0 H MET A 51 -4.544 -6.371 2.735 1.00 0.00 H new ATOM 0 HA MET A 51 -5.161 -8.890 1.462 1.00 0.00 H new ATOM 0 HB2 MET A 51 -6.264 -7.103 3.603 1.00 0.00 H new ATOM 0 HB3 MET A 51 -7.436 -8.104 2.770 1.00 0.00 H new ATOM 0 HG2 MET A 51 -5.148 -9.763 3.335 1.00 0.00 H new ATOM 0 HG3 MET A 51 -5.527 -8.885 4.803 1.00 0.00 H new ATOM 0 HE1 MET A 51 -7.518 -12.256 2.791 1.00 0.00 H new ATOM 0 HE2 MET A 51 -8.152 -10.814 1.963 1.00 0.00 H new ATOM 0 HE3 MET A 51 -6.395 -11.068 2.087 1.00 0.00 H new ATOM 775 N VAL A 52 -7.384 -8.267 0.205 1.00 0.00 N ATOM 776 CA VAL A 52 -8.305 -7.929 -0.868 1.00 0.00 C ATOM 777 C VAL A 52 -9.733 -8.264 -0.433 1.00 0.00 C ATOM 778 O VAL A 52 -9.938 -9.106 0.440 1.00 0.00 O ATOM 779 CB VAL A 52 -7.890 -8.641 -2.157 1.00 0.00 C ATOM 780 CG1 VAL A 52 -8.701 -8.132 -3.350 1.00 0.00 C ATOM 781 CG2 VAL A 52 -6.388 -8.488 -2.409 1.00 0.00 C ATOM 0 H VAL A 52 -7.525 -9.191 0.614 1.00 0.00 H new ATOM 0 HA VAL A 52 -8.272 -6.860 -1.078 1.00 0.00 H new ATOM 0 HB VAL A 52 -8.103 -9.703 -2.036 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -8.386 -8.654 -4.253 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -9.761 -8.317 -3.175 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -8.535 -7.062 -3.473 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -6.119 -9.003 -3.331 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -6.140 -7.430 -2.499 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -5.833 -8.921 -1.577 1.00 0.00 H new ATOM 791 N LYS A 53 -10.683 -7.587 -1.062 1.00 0.00 N ATOM 792 CA LYS A 53 -12.086 -7.802 -0.750 1.00 0.00 C ATOM 793 C LYS A 53 -12.306 -9.276 -0.404 1.00 0.00 C ATOM 794 O LYS A 53 -13.101 -9.598 0.478 1.00 0.00 O ATOM 795 CB LYS A 53 -12.971 -7.300 -1.892 1.00 0.00 C ATOM 796 CG LYS A 53 -12.912 -5.775 -2.001 1.00 0.00 C ATOM 797 CD LYS A 53 -14.311 -5.183 -2.178 1.00 0.00 C ATOM 798 CE LYS A 53 -14.367 -3.743 -1.662 1.00 0.00 C ATOM 799 NZ LYS A 53 -15.453 -3.590 -0.669 1.00 0.00 N ATOM 0 H LYS A 53 -10.509 -6.890 -1.786 1.00 0.00 H new ATOM 0 HA LYS A 53 -12.376 -7.221 0.126 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -12.648 -7.748 -2.832 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -14.001 -7.617 -1.725 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -12.449 -5.361 -1.106 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -12.284 -5.491 -2.845 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -14.589 -5.206 -3.232 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -15.038 -5.793 -1.643 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -13.412 -3.475 -1.209 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -14.528 -3.058 -2.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -15.477 -2.607 -0.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -16.364 -3.826 -1.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -15.283 -4.230 0.133 1.00 0.00 H new ATOM 813 N GLY A 54 -11.589 -10.133 -1.117 1.00 0.00 N ATOM 814 CA GLY A 54 -11.697 -11.565 -0.896 1.00 0.00 C ATOM 815 C GLY A 54 -10.466 -12.297 -1.435 1.00 0.00 C ATOM 816 O GLY A 54 -10.586 -13.367 -2.028 1.00 0.00 O ATOM 0 H GLY A 54 -10.931 -9.863 -1.848 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -11.806 -11.765 0.170 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -12.594 -11.945 -1.385 1.00 0.00 H new ATOM 820 N GLY A 55 -9.310 -11.690 -1.208 1.00 0.00 N ATOM 821 CA GLY A 55 -8.058 -12.270 -1.663 1.00 0.00 C ATOM 822 C GLY A 55 -6.861 -11.506 -1.095 1.00 0.00 C ATOM 823 O GLY A 55 -7.013 -10.693 -0.184 1.00 0.00 O ATOM 0 H GLY A 55 -9.214 -10.802 -0.715 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -8.005 -13.315 -1.357 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -8.020 -12.254 -2.752 1.00 0.00 H new ATOM 827 N THR A 56 -5.695 -11.793 -1.657 1.00 0.00 N ATOM 828 CA THR A 56 -4.472 -11.143 -1.218 1.00 0.00 C ATOM 829 C THR A 56 -3.751 -10.506 -2.407 1.00 0.00 C ATOM 830 O THR A 56 -3.712 -11.080 -3.494 1.00 0.00 O ATOM 831 CB THR A 56 -3.625 -12.179 -0.477 1.00 0.00 C ATOM 832 OG1 THR A 56 -4.495 -12.680 0.535 1.00 0.00 O ATOM 833 CG2 THR A 56 -2.472 -11.544 0.303 1.00 0.00 C ATOM 0 H THR A 56 -5.572 -12.467 -2.413 1.00 0.00 H new ATOM 0 HA THR A 56 -4.684 -10.324 -0.530 1.00 0.00 H new ATOM 0 HB THR A 56 -3.226 -12.899 -1.192 1.00 0.00 H new ATOM 0 HG1 THR A 56 -4.026 -13.360 1.063 1.00 0.00 H new ATOM 0 HG21 THR A 56 -1.903 -12.323 0.810 1.00 0.00 H new ATOM 0 HG22 THR A 56 -1.819 -11.008 -0.385 1.00 0.00 H new ATOM 0 HG23 THR A 56 -2.871 -10.848 1.041 1.00 0.00 H new ATOM 841 N LEU A 57 -3.197 -9.328 -2.160 1.00 0.00 N ATOM 842 CA LEU A 57 -2.479 -8.606 -3.197 1.00 0.00 C ATOM 843 C LEU A 57 -1.249 -9.414 -3.616 1.00 0.00 C ATOM 844 O LEU A 57 -0.289 -9.530 -2.856 1.00 0.00 O ATOM 845 CB LEU A 57 -2.152 -7.185 -2.733 1.00 0.00 C ATOM 846 CG LEU A 57 -2.642 -6.054 -3.639 1.00 0.00 C ATOM 847 CD1 LEU A 57 -1.894 -4.752 -3.344 1.00 0.00 C ATOM 848 CD2 LEU A 57 -2.541 -6.451 -5.114 1.00 0.00 C ATOM 0 H LEU A 57 -3.231 -8.855 -1.257 1.00 0.00 H new ATOM 0 HA LEU A 57 -3.103 -8.491 -4.083 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.580 -7.040 -1.741 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.070 -7.098 -2.629 1.00 0.00 H new ATOM 0 HG LEU A 57 -3.696 -5.876 -3.424 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.261 -3.964 -4.002 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -2.060 -4.464 -2.306 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.827 -4.899 -3.514 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -2.895 -5.630 -5.737 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -1.503 -6.672 -5.361 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -3.153 -7.334 -5.296 1.00 0.00 H new ATOM 860 N LYS A 58 -1.319 -9.953 -4.825 1.00 0.00 N ATOM 861 CA LYS A 58 -0.223 -10.747 -5.354 1.00 0.00 C ATOM 862 C LYS A 58 1.042 -9.888 -5.412 1.00 0.00 C ATOM 863 O LYS A 58 1.070 -8.781 -4.878 1.00 0.00 O ATOM 864 CB LYS A 58 -0.610 -11.364 -6.699 1.00 0.00 C ATOM 865 CG LYS A 58 -1.359 -12.684 -6.502 1.00 0.00 C ATOM 866 CD LYS A 58 -1.399 -13.491 -7.802 1.00 0.00 C ATOM 867 CE LYS A 58 -1.433 -14.993 -7.513 1.00 0.00 C ATOM 868 NZ LYS A 58 -2.314 -15.687 -8.480 1.00 0.00 N ATOM 0 H LYS A 58 -2.117 -9.855 -5.453 1.00 0.00 H new ATOM 0 HA LYS A 58 -0.008 -11.587 -4.694 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -1.235 -10.667 -7.256 1.00 0.00 H new ATOM 0 HB3 LYS A 58 0.286 -11.536 -7.296 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -0.873 -13.269 -5.721 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -2.375 -12.483 -6.163 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -2.277 -13.209 -8.383 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -0.525 -13.253 -8.409 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -0.425 -15.403 -7.571 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -1.790 -15.166 -6.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -2.326 -16.705 -8.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -3.279 -15.307 -8.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -1.957 -15.537 -9.445 1.00 0.00 H new ATOM 882 N ASP A 59 2.058 -10.431 -6.067 1.00 0.00 N ATOM 883 CA ASP A 59 3.322 -9.729 -6.202 1.00 0.00 C ATOM 884 C ASP A 59 3.752 -9.740 -7.670 1.00 0.00 C ATOM 885 O ASP A 59 4.108 -8.701 -8.225 1.00 0.00 O ATOM 886 CB ASP A 59 4.420 -10.409 -5.383 1.00 0.00 C ATOM 887 CG ASP A 59 4.102 -10.588 -3.897 1.00 0.00 C ATOM 888 OD1 ASP A 59 3.050 -10.060 -3.474 1.00 0.00 O ATOM 889 OD2 ASP A 59 4.916 -11.249 -3.217 1.00 0.00 O ATOM 0 H ASP A 59 2.031 -11.349 -6.510 1.00 0.00 H new ATOM 0 HA ASP A 59 3.182 -8.710 -5.841 1.00 0.00 H new ATOM 0 HB2 ASP A 59 4.622 -11.389 -5.816 1.00 0.00 H new ATOM 0 HB3 ASP A 59 5.336 -9.825 -5.475 1.00 0.00 H new ATOM 894 N ASP A 60 3.706 -10.926 -8.259 1.00 0.00 N ATOM 895 CA ASP A 60 4.086 -11.086 -9.652 1.00 0.00 C ATOM 896 C ASP A 60 3.167 -10.234 -10.528 1.00 0.00 C ATOM 897 O ASP A 60 3.637 -9.490 -11.388 1.00 0.00 O ATOM 898 CB ASP A 60 3.946 -12.544 -10.097 1.00 0.00 C ATOM 899 CG ASP A 60 4.552 -13.573 -9.141 1.00 0.00 C ATOM 900 OD1 ASP A 60 5.794 -13.550 -8.995 1.00 0.00 O ATOM 901 OD2 ASP A 60 3.761 -14.360 -8.578 1.00 0.00 O ATOM 0 H ASP A 60 3.411 -11.786 -7.796 1.00 0.00 H new ATOM 0 HA ASP A 60 5.126 -10.775 -9.756 1.00 0.00 H new ATOM 0 HB2 ASP A 60 2.887 -12.769 -10.225 1.00 0.00 H new ATOM 0 HB3 ASP A 60 4.416 -12.657 -11.074 1.00 0.00 H new ATOM 906 N ASP A 61 1.872 -10.370 -10.281 1.00 0.00 N ATOM 907 CA ASP A 61 0.883 -9.622 -11.037 1.00 0.00 C ATOM 908 C ASP A 61 -0.488 -9.786 -10.377 1.00 0.00 C ATOM 909 O ASP A 61 -0.732 -10.770 -9.681 1.00 0.00 O ATOM 910 CB ASP A 61 0.781 -10.138 -12.473 1.00 0.00 C ATOM 911 CG ASP A 61 1.960 -9.772 -13.377 1.00 0.00 C ATOM 912 OD1 ASP A 61 1.948 -8.632 -13.891 1.00 0.00 O ATOM 913 OD2 ASP A 61 2.846 -10.640 -13.534 1.00 0.00 O ATOM 0 H ASP A 61 1.485 -10.988 -9.567 1.00 0.00 H new ATOM 0 HA ASP A 61 1.190 -8.576 -11.051 1.00 0.00 H new ATOM 0 HB2 ASP A 61 0.686 -11.224 -12.447 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -0.134 -9.748 -12.919 1.00 0.00 H new ATOM 918 N TRP A 62 -1.347 -8.807 -10.620 1.00 0.00 N ATOM 919 CA TRP A 62 -2.687 -8.830 -10.058 1.00 0.00 C ATOM 920 C TRP A 62 -3.388 -10.094 -10.560 1.00 0.00 C ATOM 921 O TRP A 62 -3.925 -10.867 -9.768 1.00 0.00 O ATOM 922 CB TRP A 62 -3.448 -7.548 -10.401 1.00 0.00 C ATOM 923 CG TRP A 62 -2.743 -6.267 -9.950 1.00 0.00 C ATOM 924 CD1 TRP A 62 -1.663 -5.685 -10.491 1.00 0.00 C ATOM 925 CD2 TRP A 62 -3.115 -5.426 -8.838 1.00 0.00 C ATOM 926 NE1 TRP A 62 -1.314 -4.537 -9.811 1.00 0.00 N ATOM 927 CE2 TRP A 62 -2.224 -4.374 -8.774 1.00 0.00 C ATOM 928 CE3 TRP A 62 -4.169 -5.551 -7.916 1.00 0.00 C ATOM 929 CZ2 TRP A 62 -2.297 -3.366 -7.805 1.00 0.00 C ATOM 930 CZ3 TRP A 62 -4.228 -4.536 -6.954 1.00 0.00 C ATOM 931 CH2 TRP A 62 -3.339 -3.470 -6.876 1.00 0.00 C ATOM 0 H TRP A 62 -1.141 -7.993 -11.199 1.00 0.00 H new ATOM 0 HA TRP A 62 -2.648 -8.862 -8.969 1.00 0.00 H new ATOM 0 HB2 TRP A 62 -3.601 -7.506 -11.479 1.00 0.00 H new ATOM 0 HB3 TRP A 62 -4.435 -7.589 -9.940 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -1.133 -6.067 -11.351 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -0.531 -3.921 -10.029 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -4.877 -6.366 -7.948 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -1.588 -2.552 -7.776 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -5.020 -4.584 -6.221 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -3.452 -2.725 -6.102 1.00 0.00 H new ATOM 942 N GLY A 63 -3.360 -10.265 -11.874 1.00 0.00 N ATOM 943 CA GLY A 63 -3.986 -11.422 -12.491 1.00 0.00 C ATOM 944 C GLY A 63 -5.361 -11.063 -13.059 1.00 0.00 C ATOM 945 O GLY A 63 -5.457 -10.454 -14.123 1.00 0.00 O ATOM 0 H GLY A 63 -2.914 -9.622 -12.528 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -3.348 -11.804 -13.288 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -4.089 -12.220 -11.755 1.00 0.00 H new ATOM 949 N ASN A 64 -6.391 -11.456 -12.323 1.00 0.00 N ATOM 950 CA ASN A 64 -7.756 -11.184 -12.740 1.00 0.00 C ATOM 951 C ASN A 64 -8.578 -10.746 -11.526 1.00 0.00 C ATOM 952 O ASN A 64 -9.648 -11.293 -11.267 1.00 0.00 O ATOM 953 CB ASN A 64 -8.412 -12.434 -13.329 1.00 0.00 C ATOM 954 CG ASN A 64 -8.090 -12.572 -14.819 1.00 0.00 C ATOM 955 OD1 ASN A 64 -7.034 -13.040 -15.212 1.00 0.00 O ATOM 956 ND2 ASN A 64 -9.058 -12.140 -15.623 1.00 0.00 N ATOM 0 H ASN A 64 -6.307 -11.961 -11.441 1.00 0.00 H new ATOM 0 HA ASN A 64 -7.727 -10.401 -13.498 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -8.064 -13.318 -12.795 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -9.492 -12.382 -13.190 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -8.941 -12.190 -16.635 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -9.918 -11.759 -15.227 1.00 0.00 H new ATOM 963 N ILE A 65 -8.045 -9.763 -10.815 1.00 0.00 N ATOM 964 CA ILE A 65 -8.716 -9.246 -9.634 1.00 0.00 C ATOM 965 C ILE A 65 -9.689 -8.140 -10.050 1.00 0.00 C ATOM 966 O ILE A 65 -9.369 -7.316 -10.905 1.00 0.00 O ATOM 967 CB ILE A 65 -7.692 -8.803 -8.587 1.00 0.00 C ATOM 968 CG1 ILE A 65 -6.848 -9.986 -8.111 1.00 0.00 C ATOM 969 CG2 ILE A 65 -8.375 -8.081 -7.424 1.00 0.00 C ATOM 970 CD1 ILE A 65 -5.774 -9.531 -7.121 1.00 0.00 C ATOM 0 H ILE A 65 -7.157 -9.311 -11.034 1.00 0.00 H new ATOM 0 HA ILE A 65 -9.306 -10.028 -9.157 1.00 0.00 H new ATOM 0 HB ILE A 65 -7.012 -8.090 -9.054 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -7.491 -10.729 -7.639 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -6.377 -10.469 -8.967 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -7.625 -7.777 -6.694 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -8.896 -7.200 -7.798 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -9.092 -8.752 -6.950 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -5.188 -10.392 -6.798 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -5.118 -8.806 -7.603 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -6.249 -9.070 -6.255 1.00 0.00 H new ATOM 982 N LYS A 66 -10.857 -8.158 -9.425 1.00 0.00 N ATOM 983 CA LYS A 66 -11.878 -7.167 -9.719 1.00 0.00 C ATOM 984 C LYS A 66 -11.650 -5.932 -8.845 1.00 0.00 C ATOM 985 O LYS A 66 -12.279 -5.782 -7.799 1.00 0.00 O ATOM 986 CB LYS A 66 -13.274 -7.776 -9.570 1.00 0.00 C ATOM 987 CG LYS A 66 -13.639 -8.616 -10.796 1.00 0.00 C ATOM 988 CD LYS A 66 -14.600 -7.857 -11.714 1.00 0.00 C ATOM 989 CE LYS A 66 -15.391 -8.823 -12.599 1.00 0.00 C ATOM 990 NZ LYS A 66 -16.763 -9.001 -12.074 1.00 0.00 N ATOM 0 H LYS A 66 -11.119 -8.843 -8.716 1.00 0.00 H new ATOM 0 HA LYS A 66 -11.806 -6.842 -10.757 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -13.310 -8.397 -8.675 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -14.009 -6.982 -9.437 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -12.734 -8.876 -11.346 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -14.098 -9.552 -10.477 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -15.288 -7.262 -11.114 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -14.039 -7.162 -12.339 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -15.432 -8.440 -13.619 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -14.883 -9.787 -12.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -17.286 -9.659 -12.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -16.718 -9.387 -11.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -17.250 -8.082 -12.057 1.00 0.00 H new ATOM 1004 N MET A 67 -10.749 -5.078 -9.308 1.00 0.00 N ATOM 1005 CA MET A 67 -10.431 -3.860 -8.582 1.00 0.00 C ATOM 1006 C MET A 67 -11.420 -2.744 -8.923 1.00 0.00 C ATOM 1007 O MET A 67 -11.992 -2.728 -10.012 1.00 0.00 O ATOM 1008 CB MET A 67 -9.012 -3.411 -8.936 1.00 0.00 C ATOM 1009 CG MET A 67 -7.983 -4.462 -8.515 1.00 0.00 C ATOM 1010 SD MET A 67 -7.831 -4.490 -6.737 1.00 0.00 S ATOM 1011 CE MET A 67 -6.896 -2.990 -6.482 1.00 0.00 C ATOM 0 H MET A 67 -10.229 -5.205 -10.176 1.00 0.00 H new ATOM 0 HA MET A 67 -10.501 -4.067 -7.514 1.00 0.00 H new ATOM 0 HB2 MET A 67 -8.939 -3.235 -10.009 1.00 0.00 H new ATOM 0 HB3 MET A 67 -8.793 -2.464 -8.443 1.00 0.00 H new ATOM 0 HG2 MET A 67 -8.285 -5.444 -8.878 1.00 0.00 H new ATOM 0 HG3 MET A 67 -7.017 -4.238 -8.967 1.00 0.00 H new ATOM 0 HE1 MET A 67 -6.300 -3.083 -5.574 1.00 0.00 H new ATOM 0 HE2 MET A 67 -6.237 -2.823 -7.334 1.00 0.00 H new ATOM 0 HE3 MET A 67 -7.580 -2.147 -6.382 1.00 0.00 H new ATOM 1021 N LYS A 68 -11.590 -1.837 -7.973 1.00 0.00 N ATOM 1022 CA LYS A 68 -12.500 -0.719 -8.159 1.00 0.00 C ATOM 1023 C LYS A 68 -12.006 0.477 -7.343 1.00 0.00 C ATOM 1024 O LYS A 68 -11.275 0.308 -6.368 1.00 0.00 O ATOM 1025 CB LYS A 68 -13.935 -1.136 -7.831 1.00 0.00 C ATOM 1026 CG LYS A 68 -14.056 -1.588 -6.374 1.00 0.00 C ATOM 1027 CD LYS A 68 -15.326 -2.414 -6.159 1.00 0.00 C ATOM 1028 CE LYS A 68 -15.029 -3.912 -6.254 1.00 0.00 C ATOM 1029 NZ LYS A 68 -16.266 -4.699 -6.056 1.00 0.00 N ATOM 0 H LYS A 68 -11.113 -1.853 -7.072 1.00 0.00 H new ATOM 0 HA LYS A 68 -12.513 -0.409 -9.204 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -14.611 -0.301 -8.013 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -14.243 -1.945 -8.493 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -13.183 -2.179 -6.099 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -14.070 -0.717 -5.719 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -15.752 -2.185 -5.182 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -16.073 -2.140 -6.904 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -14.597 -4.142 -7.228 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -14.290 -4.191 -5.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -16.047 -5.713 -6.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -16.662 -4.492 -5.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -16.960 -4.445 -6.788 1.00 0.00 H new ATOM 1043 N ASN A 69 -12.425 1.659 -7.771 1.00 0.00 N ATOM 1044 CA ASN A 69 -12.033 2.882 -7.093 1.00 0.00 C ATOM 1045 C ASN A 69 -13.036 3.185 -5.978 1.00 0.00 C ATOM 1046 O ASN A 69 -14.229 3.341 -6.236 1.00 0.00 O ATOM 1047 CB ASN A 69 -12.027 4.070 -8.058 1.00 0.00 C ATOM 1048 CG ASN A 69 -13.289 4.078 -8.924 1.00 0.00 C ATOM 1049 OD1 ASN A 69 -14.245 4.791 -8.666 1.00 0.00 O ATOM 1050 ND2 ASN A 69 -13.237 3.250 -9.963 1.00 0.00 N ATOM 0 H ASN A 69 -13.032 1.795 -8.579 1.00 0.00 H new ATOM 0 HA ASN A 69 -11.030 2.738 -6.692 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -11.962 5.001 -7.494 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -11.144 4.021 -8.695 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -14.029 3.184 -10.602 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -12.405 2.681 -10.121 1.00 0.00 H new ATOM 1057 N GLY A 70 -12.516 3.258 -4.761 1.00 0.00 N ATOM 1058 CA GLY A 70 -13.350 3.539 -3.606 1.00 0.00 C ATOM 1059 C GLY A 70 -13.144 2.490 -2.512 1.00 0.00 C ATOM 1060 O GLY A 70 -13.334 2.774 -1.330 1.00 0.00 O ATOM 0 H GLY A 70 -11.527 3.127 -4.551 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -13.114 4.529 -3.215 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -14.398 3.556 -3.905 1.00 0.00 H new ATOM 1064 N MET A 71 -12.756 1.299 -2.944 1.00 0.00 N ATOM 1065 CA MET A 71 -12.521 0.206 -2.017 1.00 0.00 C ATOM 1066 C MET A 71 -11.529 0.615 -0.927 1.00 0.00 C ATOM 1067 O MET A 71 -11.101 1.767 -0.872 1.00 0.00 O ATOM 1068 CB MET A 71 -11.973 -1.002 -2.779 1.00 0.00 C ATOM 1069 CG MET A 71 -10.580 -0.710 -3.340 1.00 0.00 C ATOM 1070 SD MET A 71 -9.451 -2.013 -2.880 1.00 0.00 S ATOM 1071 CE MET A 71 -10.353 -3.432 -3.478 1.00 0.00 C ATOM 0 H MET A 71 -12.598 1.067 -3.925 1.00 0.00 H new ATOM 0 HA MET A 71 -13.468 -0.052 -1.542 1.00 0.00 H new ATOM 0 HB2 MET A 71 -11.928 -1.865 -2.115 1.00 0.00 H new ATOM 0 HB3 MET A 71 -12.650 -1.261 -3.593 1.00 0.00 H new ATOM 0 HG2 MET A 71 -10.627 -0.625 -4.426 1.00 0.00 H new ATOM 0 HG3 MET A 71 -10.219 0.246 -2.960 1.00 0.00 H new ATOM 0 HE1 MET A 71 -9.651 -4.185 -3.835 1.00 0.00 H new ATOM 0 HE2 MET A 71 -10.953 -3.849 -2.669 1.00 0.00 H new ATOM 0 HE3 MET A 71 -11.007 -3.129 -4.296 1.00 0.00 H new ATOM 1081 N THR A 72 -11.191 -0.351 -0.086 1.00 0.00 N ATOM 1082 CA THR A 72 -10.257 -0.106 1.000 1.00 0.00 C ATOM 1083 C THR A 72 -9.163 -1.175 1.014 1.00 0.00 C ATOM 1084 O THR A 72 -9.451 -2.364 0.887 1.00 0.00 O ATOM 1085 CB THR A 72 -11.054 -0.035 2.304 1.00 0.00 C ATOM 1086 OG1 THR A 72 -11.346 1.352 2.457 1.00 0.00 O ATOM 1087 CG2 THR A 72 -10.204 -0.375 3.529 1.00 0.00 C ATOM 0 H THR A 72 -11.547 -1.305 -0.135 1.00 0.00 H new ATOM 0 HA THR A 72 -9.738 0.844 0.868 1.00 0.00 H new ATOM 0 HB THR A 72 -11.901 -0.719 2.250 1.00 0.00 H new ATOM 0 HG1 THR A 72 -11.863 1.489 3.278 1.00 0.00 H new ATOM 0 HG21 THR A 72 -10.818 -0.310 4.427 1.00 0.00 H new ATOM 0 HG22 THR A 72 -9.812 -1.387 3.430 1.00 0.00 H new ATOM 0 HG23 THR A 72 -9.375 0.329 3.604 1.00 0.00 H new ATOM 1095 N VAL A 73 -7.931 -0.714 1.171 1.00 0.00 N ATOM 1096 CA VAL A 73 -6.792 -1.617 1.204 1.00 0.00 C ATOM 1097 C VAL A 73 -6.284 -1.738 2.642 1.00 0.00 C ATOM 1098 O VAL A 73 -5.880 -0.746 3.246 1.00 0.00 O ATOM 1099 CB VAL A 73 -5.716 -1.137 0.228 1.00 0.00 C ATOM 1100 CG1 VAL A 73 -4.371 -1.803 0.525 1.00 0.00 C ATOM 1101 CG2 VAL A 73 -6.141 -1.382 -1.221 1.00 0.00 C ATOM 0 H VAL A 73 -7.696 0.273 1.277 1.00 0.00 H new ATOM 0 HA VAL A 73 -7.086 -2.615 0.878 1.00 0.00 H new ATOM 0 HB VAL A 73 -5.595 -0.062 0.364 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -3.623 -1.445 -0.183 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -4.058 -1.555 1.539 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -4.472 -2.884 0.430 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -5.358 -1.032 -1.894 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -6.303 -2.448 -1.377 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -7.065 -0.841 -1.426 1.00 0.00 H new ATOM 1111 N LEU A 74 -6.321 -2.962 3.147 1.00 0.00 N ATOM 1112 CA LEU A 74 -5.870 -3.225 4.503 1.00 0.00 C ATOM 1113 C LEU A 74 -4.386 -3.599 4.478 1.00 0.00 C ATOM 1114 O LEU A 74 -3.990 -4.536 3.786 1.00 0.00 O ATOM 1115 CB LEU A 74 -6.758 -4.278 5.169 1.00 0.00 C ATOM 1116 CG LEU A 74 -6.622 -4.408 6.687 1.00 0.00 C ATOM 1117 CD1 LEU A 74 -5.287 -5.053 7.064 1.00 0.00 C ATOM 1118 CD2 LEU A 74 -6.819 -3.055 7.373 1.00 0.00 C ATOM 0 H LEU A 74 -6.656 -3.782 2.642 1.00 0.00 H new ATOM 0 HA LEU A 74 -5.964 -2.329 5.116 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -7.798 -4.048 4.936 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -6.538 -5.247 4.720 1.00 0.00 H new ATOM 0 HG LEU A 74 -7.412 -5.068 7.046 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -5.215 -5.134 8.149 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -5.225 -6.047 6.621 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -4.468 -4.438 6.691 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -6.717 -3.176 8.452 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -6.067 -2.352 7.014 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -7.813 -2.672 7.143 1.00 0.00 H new ATOM 1130 N MET A 75 -3.606 -2.848 5.241 1.00 0.00 N ATOM 1131 CA MET A 75 -2.175 -3.089 5.315 1.00 0.00 C ATOM 1132 C MET A 75 -1.766 -3.533 6.721 1.00 0.00 C ATOM 1133 O MET A 75 -2.046 -2.843 7.700 1.00 0.00 O ATOM 1134 CB MET A 75 -1.422 -1.810 4.944 1.00 0.00 C ATOM 1135 CG MET A 75 -0.181 -2.128 4.109 1.00 0.00 C ATOM 1136 SD MET A 75 0.827 -0.665 3.932 1.00 0.00 S ATOM 1137 CE MET A 75 1.939 -0.886 5.310 1.00 0.00 C ATOM 0 H MET A 75 -3.938 -2.072 5.814 1.00 0.00 H new ATOM 0 HA MET A 75 -1.923 -3.886 4.615 1.00 0.00 H new ATOM 0 HB2 MET A 75 -2.080 -1.145 4.385 1.00 0.00 H new ATOM 0 HB3 MET A 75 -1.129 -1.280 5.850 1.00 0.00 H new ATOM 0 HG2 MET A 75 0.395 -2.921 4.586 1.00 0.00 H new ATOM 0 HG3 MET A 75 -0.478 -2.496 3.127 1.00 0.00 H new ATOM 0 HE1 MET A 75 1.720 -0.143 6.077 1.00 0.00 H new ATOM 0 HE2 MET A 75 1.809 -1.885 5.725 1.00 0.00 H new ATOM 0 HE3 MET A 75 2.968 -0.765 4.971 1.00 0.00 H new ATOM 1147 N MET A 76 -1.110 -4.683 6.777 1.00 0.00 N ATOM 1148 CA MET A 76 -0.660 -5.227 8.046 1.00 0.00 C ATOM 1149 C MET A 76 0.850 -5.476 8.031 1.00 0.00 C ATOM 1150 O MET A 76 1.370 -6.106 7.112 1.00 0.00 O ATOM 1151 CB MET A 76 -1.391 -6.541 8.327 1.00 0.00 C ATOM 1152 CG MET A 76 -2.751 -6.283 8.979 1.00 0.00 C ATOM 1153 SD MET A 76 -2.604 -6.379 10.756 1.00 0.00 S ATOM 1154 CE MET A 76 -3.370 -4.833 11.214 1.00 0.00 C ATOM 0 H MET A 76 -0.880 -5.253 5.963 1.00 0.00 H new ATOM 0 HA MET A 76 -0.883 -4.503 8.830 1.00 0.00 H new ATOM 0 HB2 MET A 76 -1.528 -7.091 7.396 1.00 0.00 H new ATOM 0 HB3 MET A 76 -0.783 -7.167 8.980 1.00 0.00 H new ATOM 0 HG2 MET A 76 -3.122 -5.300 8.689 1.00 0.00 H new ATOM 0 HG3 MET A 76 -3.478 -7.015 8.626 1.00 0.00 H new ATOM 0 HE1 MET A 76 -3.363 -4.731 12.299 1.00 0.00 H new ATOM 0 HE2 MET A 76 -2.817 -4.007 10.768 1.00 0.00 H new ATOM 0 HE3 MET A 76 -4.399 -4.816 10.855 1.00 0.00 H new ATOM 1164 N GLY A 77 1.511 -4.968 9.061 1.00 0.00 N ATOM 1165 CA GLY A 77 2.951 -5.128 9.178 1.00 0.00 C ATOM 1166 C GLY A 77 3.547 -4.062 10.100 1.00 0.00 C ATOM 1167 O GLY A 77 2.820 -3.246 10.663 1.00 0.00 O ATOM 0 H GLY A 77 1.076 -4.446 9.822 1.00 0.00 H new ATOM 0 HA2 GLY A 77 3.180 -6.120 9.567 1.00 0.00 H new ATOM 0 HA3 GLY A 77 3.410 -5.059 8.192 1.00 0.00 H new ATOM 1171 N SER A 78 4.866 -4.105 10.225 1.00 0.00 N ATOM 1172 CA SER A 78 5.568 -3.154 11.069 1.00 0.00 C ATOM 1173 C SER A 78 6.989 -2.937 10.543 1.00 0.00 C ATOM 1174 O SER A 78 7.711 -3.898 10.282 1.00 0.00 O ATOM 1175 CB SER A 78 5.607 -3.630 12.522 1.00 0.00 C ATOM 1176 OG SER A 78 6.328 -4.851 12.665 1.00 0.00 O ATOM 0 H SER A 78 5.466 -4.783 9.756 1.00 0.00 H new ATOM 0 HA SER A 78 5.028 -2.208 11.040 1.00 0.00 H new ATOM 0 HB2 SER A 78 6.068 -2.862 13.143 1.00 0.00 H new ATOM 0 HB3 SER A 78 4.589 -3.766 12.886 1.00 0.00 H new ATOM 0 HG SER A 78 7.044 -4.888 11.997 1.00 0.00 H new ATOM 1182 N ALA A 79 7.347 -1.669 10.403 1.00 0.00 N ATOM 1183 CA ALA A 79 8.668 -1.314 9.913 1.00 0.00 C ATOM 1184 C ALA A 79 9.675 -1.411 11.060 1.00 0.00 C ATOM 1185 O ALA A 79 10.363 -0.440 11.371 1.00 0.00 O ATOM 1186 CB ALA A 79 8.624 0.084 9.292 1.00 0.00 C ATOM 0 H ALA A 79 6.745 -0.875 10.620 1.00 0.00 H new ATOM 0 HA ALA A 79 8.987 -2.006 9.134 1.00 0.00 H new ATOM 0 HB1 ALA A 79 9.615 0.350 8.924 1.00 0.00 H new ATOM 0 HB2 ALA A 79 7.916 0.092 8.464 1.00 0.00 H new ATOM 0 HB3 ALA A 79 8.310 0.807 10.045 1.00 0.00 H new ATOM 1192 N ASP A 80 9.731 -2.592 11.658 1.00 0.00 N ATOM 1193 CA ASP A 80 10.644 -2.829 12.764 1.00 0.00 C ATOM 1194 C ASP A 80 10.388 -1.793 13.861 1.00 0.00 C ATOM 1195 O ASP A 80 11.289 -1.463 14.630 1.00 0.00 O ATOM 1196 CB ASP A 80 12.100 -2.692 12.315 1.00 0.00 C ATOM 1197 CG ASP A 80 13.112 -3.471 13.158 1.00 0.00 C ATOM 1198 OD1 ASP A 80 12.669 -4.416 13.846 1.00 0.00 O ATOM 1199 OD2 ASP A 80 14.305 -3.105 13.094 1.00 0.00 O ATOM 0 H ASP A 80 9.159 -3.395 11.398 1.00 0.00 H new ATOM 0 HA ASP A 80 10.474 -3.841 13.132 1.00 0.00 H new ATOM 0 HB2 ASP A 80 12.178 -3.025 11.280 1.00 0.00 H new ATOM 0 HB3 ASP A 80 12.372 -1.637 12.331 1.00 0.00 H new ATOM 1204 N ALA A 81 9.155 -1.310 13.898 1.00 0.00 N ATOM 1205 CA ALA A 81 8.769 -0.319 14.888 1.00 0.00 C ATOM 1206 C ALA A 81 9.564 0.967 14.653 1.00 0.00 C ATOM 1207 O ALA A 81 10.473 0.996 13.824 1.00 0.00 O ATOM 1208 CB ALA A 81 8.984 -0.889 16.291 1.00 0.00 C ATOM 0 H ALA A 81 8.410 -1.586 13.258 1.00 0.00 H new ATOM 0 HA ALA A 81 7.711 -0.074 14.794 1.00 0.00 H new ATOM 0 HB1 ALA A 81 8.695 -0.146 17.034 1.00 0.00 H new ATOM 0 HB2 ALA A 81 8.375 -1.784 16.417 1.00 0.00 H new ATOM 0 HB3 ALA A 81 10.036 -1.144 16.423 1.00 0.00 H new ATOM 1214 N LEU A 82 9.194 1.998 15.397 1.00 0.00 N ATOM 1215 CA LEU A 82 9.861 3.284 15.280 1.00 0.00 C ATOM 1216 C LEU A 82 11.349 3.111 15.594 1.00 0.00 C ATOM 1217 O LEU A 82 11.732 2.196 16.320 1.00 0.00 O ATOM 1218 CB LEU A 82 9.166 4.330 16.154 1.00 0.00 C ATOM 1219 CG LEU A 82 7.959 5.031 15.528 1.00 0.00 C ATOM 1220 CD1 LEU A 82 6.998 5.536 16.606 1.00 0.00 C ATOM 1221 CD2 LEU A 82 8.403 6.152 14.586 1.00 0.00 C ATOM 0 H LEU A 82 8.440 1.970 16.084 1.00 0.00 H new ATOM 0 HA LEU A 82 9.791 3.658 14.259 1.00 0.00 H new ATOM 0 HB2 LEU A 82 8.843 3.847 17.076 1.00 0.00 H new ATOM 0 HB3 LEU A 82 9.899 5.088 16.431 1.00 0.00 H new ATOM 0 HG LEU A 82 7.415 4.302 14.927 1.00 0.00 H new ATOM 0 HD11 LEU A 82 6.149 6.030 16.134 1.00 0.00 H new ATOM 0 HD12 LEU A 82 6.643 4.694 17.201 1.00 0.00 H new ATOM 0 HD13 LEU A 82 7.516 6.244 17.253 1.00 0.00 H new ATOM 0 HD21 LEU A 82 7.526 6.634 14.155 1.00 0.00 H new ATOM 0 HD22 LEU A 82 8.983 6.887 15.143 1.00 0.00 H new ATOM 0 HD23 LEU A 82 9.017 5.735 13.788 1.00 0.00 H new ATOM 1233 N PRO A 83 12.168 4.030 15.015 1.00 0.00 N ATOM 1234 CA PRO A 83 13.605 3.988 15.225 1.00 0.00 C ATOM 1235 C PRO A 83 13.970 4.493 16.623 1.00 0.00 C ATOM 1236 O PRO A 83 14.027 5.699 16.856 1.00 0.00 O ATOM 1237 CB PRO A 83 14.190 4.844 14.114 1.00 0.00 C ATOM 1238 CG PRO A 83 13.046 5.706 13.605 1.00 0.00 C ATOM 1239 CD PRO A 83 11.750 5.128 14.149 1.00 0.00 C ATOM 0 HA PRO A 83 14.006 2.975 15.184 1.00 0.00 H new ATOM 0 HB2 PRO A 83 15.008 5.461 14.486 1.00 0.00 H new ATOM 0 HB3 PRO A 83 14.596 4.223 13.316 1.00 0.00 H new ATOM 0 HG2 PRO A 83 13.171 6.738 13.932 1.00 0.00 H new ATOM 0 HG3 PRO A 83 13.032 5.717 12.515 1.00 0.00 H new ATOM 0 HD2 PRO A 83 11.185 5.877 14.704 1.00 0.00 H new ATOM 0 HD3 PRO A 83 11.106 4.774 13.344 1.00 0.00 H new ATOM 1247 N GLU A 84 14.207 3.543 17.516 1.00 0.00 N ATOM 1248 CA GLU A 84 14.565 3.876 18.885 1.00 0.00 C ATOM 1249 C GLU A 84 16.038 4.280 18.965 1.00 0.00 C ATOM 1250 O GLU A 84 16.911 3.555 18.489 1.00 0.00 O ATOM 1251 CB GLU A 84 14.263 2.711 19.829 1.00 0.00 C ATOM 1252 CG GLU A 84 13.056 3.022 20.716 1.00 0.00 C ATOM 1253 CD GLU A 84 13.499 3.593 22.065 1.00 0.00 C ATOM 1254 OE1 GLU A 84 14.058 2.805 22.859 1.00 0.00 O ATOM 1255 OE2 GLU A 84 13.270 4.804 22.272 1.00 0.00 O ATOM 0 H GLU A 84 14.158 2.543 17.319 1.00 0.00 H new ATOM 0 HA GLU A 84 13.959 4.724 19.203 1.00 0.00 H new ATOM 0 HB2 GLU A 84 14.069 1.809 19.249 1.00 0.00 H new ATOM 0 HB3 GLU A 84 15.134 2.508 20.452 1.00 0.00 H new ATOM 0 HG2 GLU A 84 12.404 3.735 20.212 1.00 0.00 H new ATOM 0 HG3 GLU A 84 12.474 2.114 20.875 1.00 0.00 H new ATOM 1262 N GLU A 85 16.270 5.435 19.571 1.00 0.00 N ATOM 1263 CA GLU A 85 17.623 5.944 19.720 1.00 0.00 C ATOM 1264 C GLU A 85 18.571 4.817 20.136 1.00 0.00 C ATOM 1265 O GLU A 85 18.157 3.865 20.795 1.00 0.00 O ATOM 1266 CB GLU A 85 17.668 7.097 20.725 1.00 0.00 C ATOM 1267 CG GLU A 85 18.027 8.413 20.033 1.00 0.00 C ATOM 1268 CD GLU A 85 18.629 9.409 21.027 1.00 0.00 C ATOM 1269 OE1 GLU A 85 19.828 9.244 21.339 1.00 0.00 O ATOM 1270 OE2 GLU A 85 17.876 10.311 21.453 1.00 0.00 O ATOM 0 H GLU A 85 15.544 6.033 19.965 1.00 0.00 H new ATOM 0 HA GLU A 85 17.952 6.333 18.756 1.00 0.00 H new ATOM 0 HB2 GLU A 85 16.700 7.193 21.217 1.00 0.00 H new ATOM 0 HB3 GLU A 85 18.401 6.879 21.502 1.00 0.00 H new ATOM 0 HG2 GLU A 85 18.737 8.223 19.228 1.00 0.00 H new ATOM 0 HG3 GLU A 85 17.135 8.843 19.577 1.00 0.00 H new ATOM 1277 N PRO A 86 19.858 4.967 19.723 1.00 0.00 N ATOM 1278 CA PRO A 86 20.868 3.974 20.046 1.00 0.00 C ATOM 1279 C PRO A 86 21.290 4.077 21.513 1.00 0.00 C ATOM 1280 O PRO A 86 22.402 4.511 21.813 1.00 0.00 O ATOM 1281 CB PRO A 86 22.009 4.244 19.078 1.00 0.00 C ATOM 1282 CG PRO A 86 21.795 5.660 18.567 1.00 0.00 C ATOM 1283 CD PRO A 86 20.384 6.082 18.941 1.00 0.00 C ATOM 0 HA PRO A 86 20.504 2.953 19.936 1.00 0.00 H new ATOM 0 HB2 PRO A 86 22.974 4.150 19.576 1.00 0.00 H new ATOM 0 HB3 PRO A 86 22.003 3.527 18.257 1.00 0.00 H new ATOM 0 HG2 PRO A 86 22.526 6.339 19.007 1.00 0.00 H new ATOM 0 HG3 PRO A 86 21.932 5.701 17.486 1.00 0.00 H new ATOM 0 HD2 PRO A 86 20.387 7.005 19.521 1.00 0.00 H new ATOM 0 HD3 PRO A 86 19.777 6.265 18.054 1.00 0.00 H new ATOM 1291 N SER A 87 20.381 3.672 22.387 1.00 0.00 N ATOM 1292 CA SER A 87 20.646 3.714 23.815 1.00 0.00 C ATOM 1293 C SER A 87 20.622 2.298 24.394 1.00 0.00 C ATOM 1294 O SER A 87 19.584 1.831 24.860 1.00 0.00 O ATOM 1295 CB SER A 87 19.628 4.599 24.538 1.00 0.00 C ATOM 1296 OG SER A 87 20.211 5.816 24.997 1.00 0.00 O ATOM 0 H SER A 87 19.460 3.313 22.134 1.00 0.00 H new ATOM 0 HA SER A 87 21.636 4.145 23.966 1.00 0.00 H new ATOM 0 HB2 SER A 87 18.801 4.824 23.865 1.00 0.00 H new ATOM 0 HB3 SER A 87 19.211 4.054 25.385 1.00 0.00 H new ATOM 0 HG SER A 87 19.530 6.354 25.451 1.00 0.00 H new ATOM 1302 N ALA A 88 21.779 1.654 24.345 1.00 0.00 N ATOM 1303 CA ALA A 88 21.904 0.300 24.858 1.00 0.00 C ATOM 1304 C ALA A 88 23.376 -0.115 24.836 1.00 0.00 C ATOM 1305 O ALA A 88 23.798 -0.874 23.965 1.00 0.00 O ATOM 1306 CB ALA A 88 21.020 -0.641 24.037 1.00 0.00 C ATOM 0 H ALA A 88 22.638 2.045 23.958 1.00 0.00 H new ATOM 0 HA ALA A 88 21.563 0.248 25.892 1.00 0.00 H new ATOM 0 HB1 ALA A 88 21.114 -1.656 24.422 1.00 0.00 H new ATOM 0 HB2 ALA A 88 19.981 -0.320 24.110 1.00 0.00 H new ATOM 0 HB3 ALA A 88 21.335 -0.618 22.994 1.00 0.00 H new ATOM 1312 N LYS A 89 24.119 0.402 25.804 1.00 0.00 N ATOM 1313 CA LYS A 89 25.535 0.094 25.907 1.00 0.00 C ATOM 1314 C LYS A 89 26.236 0.499 24.609 1.00 0.00 C ATOM 1315 O LYS A 89 26.724 -0.354 23.870 1.00 0.00 O ATOM 1316 CB LYS A 89 25.738 -1.375 26.283 1.00 0.00 C ATOM 1317 CG LYS A 89 26.465 -1.502 27.623 1.00 0.00 C ATOM 1318 CD LYS A 89 27.246 -2.815 27.701 1.00 0.00 C ATOM 1319 CE LYS A 89 28.750 -2.553 27.800 1.00 0.00 C ATOM 1320 NZ LYS A 89 29.497 -3.480 26.921 1.00 0.00 N ATOM 0 H LYS A 89 23.766 1.032 26.524 1.00 0.00 H new ATOM 0 HA LYS A 89 25.993 0.671 26.711 1.00 0.00 H new ATOM 0 HB2 LYS A 89 24.772 -1.876 26.340 1.00 0.00 H new ATOM 0 HB3 LYS A 89 26.312 -1.877 25.505 1.00 0.00 H new ATOM 0 HG2 LYS A 89 27.147 -0.661 27.752 1.00 0.00 H new ATOM 0 HG3 LYS A 89 25.743 -1.455 28.438 1.00 0.00 H new ATOM 0 HD2 LYS A 89 26.915 -3.388 28.567 1.00 0.00 H new ATOM 0 HD3 LYS A 89 27.036 -3.420 26.819 1.00 0.00 H new ATOM 0 HE2 LYS A 89 28.965 -1.522 27.518 1.00 0.00 H new ATOM 0 HE3 LYS A 89 29.079 -2.676 28.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 30.516 -3.288 27.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 29.306 -4.461 27.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 29.195 -3.343 25.935 1.00 0.00 H new ATOM 1334 N THR A 90 26.263 1.803 24.370 1.00 0.00 N ATOM 1335 CA THR A 90 26.896 2.331 23.174 1.00 0.00 C ATOM 1336 C THR A 90 28.334 1.823 23.063 1.00 0.00 C ATOM 1337 O THR A 90 28.995 1.594 24.074 1.00 0.00 O ATOM 1338 CB THR A 90 26.792 3.857 23.219 1.00 0.00 C ATOM 1339 OG1 THR A 90 27.334 4.279 21.971 1.00 0.00 O ATOM 1340 CG2 THR A 90 27.727 4.477 24.260 1.00 0.00 C ATOM 0 H THR A 90 25.857 2.508 24.985 1.00 0.00 H new ATOM 0 HA THR A 90 26.392 1.983 22.273 1.00 0.00 H new ATOM 0 HB THR A 90 25.764 4.144 23.438 1.00 0.00 H new ATOM 0 HG1 THR A 90 27.304 5.257 21.915 1.00 0.00 H new ATOM 0 HG21 THR A 90 27.614 5.561 24.251 1.00 0.00 H new ATOM 0 HG22 THR A 90 27.475 4.094 25.249 1.00 0.00 H new ATOM 0 HG23 THR A 90 28.759 4.218 24.023 1.00 0.00 H new ATOM 1348 N SER A 91 28.777 1.662 21.824 1.00 0.00 N ATOM 1349 CA SER A 91 30.125 1.185 21.568 1.00 0.00 C ATOM 1350 C SER A 91 30.865 2.171 20.661 1.00 0.00 C ATOM 1351 O SER A 91 30.261 2.788 19.785 1.00 0.00 O ATOM 1352 CB SER A 91 30.106 -0.207 20.933 1.00 0.00 C ATOM 1353 OG SER A 91 29.212 -0.276 19.825 1.00 0.00 O ATOM 0 H SER A 91 28.226 1.854 20.987 1.00 0.00 H new ATOM 0 HA SER A 91 30.649 1.113 22.521 1.00 0.00 H new ATOM 0 HB2 SER A 91 31.112 -0.469 20.604 1.00 0.00 H new ATOM 0 HB3 SER A 91 29.813 -0.943 21.682 1.00 0.00 H new ATOM 0 HG SER A 91 29.230 -1.180 19.446 1.00 0.00 H new ATOM 1359 N GLY A 92 32.163 2.288 20.903 1.00 0.00 N ATOM 1360 CA GLY A 92 32.992 3.188 20.119 1.00 0.00 C ATOM 1361 C GLY A 92 34.362 3.381 20.773 1.00 0.00 C ATOM 1362 O GLY A 92 34.647 4.443 21.322 1.00 0.00 O ATOM 0 H GLY A 92 32.660 1.775 21.631 1.00 0.00 H new ATOM 0 HA2 GLY A 92 33.118 2.788 19.113 1.00 0.00 H new ATOM 0 HA3 GLY A 92 32.494 4.152 20.019 1.00 0.00 H new ATOM 1366 N PRO A 93 35.194 2.309 20.689 1.00 0.00 N ATOM 1367 CA PRO A 93 36.527 2.349 21.266 1.00 0.00 C ATOM 1368 C PRO A 93 37.471 3.193 20.406 1.00 0.00 C ATOM 1369 O PRO A 93 38.130 4.101 20.909 1.00 0.00 O ATOM 1370 CB PRO A 93 36.957 0.895 21.367 1.00 0.00 C ATOM 1371 CG PRO A 93 36.049 0.125 20.422 1.00 0.00 C ATOM 1372 CD PRO A 93 34.890 1.034 20.046 1.00 0.00 C ATOM 0 HA PRO A 93 36.546 2.825 22.247 1.00 0.00 H new ATOM 0 HB2 PRO A 93 38.003 0.777 21.086 1.00 0.00 H new ATOM 0 HB3 PRO A 93 36.858 0.529 22.389 1.00 0.00 H new ATOM 0 HG2 PRO A 93 36.597 -0.183 19.532 1.00 0.00 H new ATOM 0 HG3 PRO A 93 35.682 -0.783 20.900 1.00 0.00 H new ATOM 0 HD2 PRO A 93 34.809 1.145 18.965 1.00 0.00 H new ATOM 0 HD3 PRO A 93 33.940 0.630 20.397 1.00 0.00 H new ATOM 1380 N SER A 94 37.506 2.862 19.123 1.00 0.00 N ATOM 1381 CA SER A 94 38.358 3.578 18.189 1.00 0.00 C ATOM 1382 C SER A 94 39.814 3.516 18.655 1.00 0.00 C ATOM 1383 O SER A 94 40.237 4.315 19.489 1.00 0.00 O ATOM 1384 CB SER A 94 37.910 5.033 18.039 1.00 0.00 C ATOM 1385 OG SER A 94 37.708 5.392 16.675 1.00 0.00 O ATOM 0 H SER A 94 36.958 2.108 18.709 1.00 0.00 H new ATOM 0 HA SER A 94 38.275 3.098 17.214 1.00 0.00 H new ATOM 0 HB2 SER A 94 36.985 5.187 18.595 1.00 0.00 H new ATOM 0 HB3 SER A 94 38.660 5.690 18.480 1.00 0.00 H new ATOM 0 HG SER A 94 37.421 6.328 16.622 1.00 0.00 H new ATOM 1391 N SER A 95 40.540 2.559 18.096 1.00 0.00 N ATOM 1392 CA SER A 95 41.940 2.382 18.444 1.00 0.00 C ATOM 1393 C SER A 95 42.710 1.823 17.247 1.00 0.00 C ATOM 1394 O SER A 95 42.554 0.654 16.895 1.00 0.00 O ATOM 1395 CB SER A 95 42.094 1.458 19.654 1.00 0.00 C ATOM 1396 OG SER A 95 41.797 2.126 20.877 1.00 0.00 O ATOM 0 H SER A 95 40.185 1.898 17.405 1.00 0.00 H new ATOM 0 HA SER A 95 42.352 3.355 18.710 1.00 0.00 H new ATOM 0 HB2 SER A 95 41.433 0.599 19.540 1.00 0.00 H new ATOM 0 HB3 SER A 95 43.113 1.074 19.689 1.00 0.00 H new ATOM 0 HG SER A 95 41.361 2.982 20.685 1.00 0.00 H new ATOM 1402 N GLY A 96 43.525 2.683 16.653 1.00 0.00 N ATOM 1403 CA GLY A 96 44.320 2.288 15.503 1.00 0.00 C ATOM 1404 C GLY A 96 45.810 2.263 15.849 1.00 0.00 C ATOM 1405 O GLY A 96 46.301 3.137 16.561 1.00 0.00 O ATOM 0 H GLY A 96 43.652 3.652 16.947 1.00 0.00 H new ATOM 0 HA2 GLY A 96 44.006 1.302 15.161 1.00 0.00 H new ATOM 0 HA3 GLY A 96 44.146 2.981 14.680 1.00 0.00 H new TER 1409 GLY A 96