USER MOD reduce.3.24.130724 H: found=0, std=0, add=578, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 575 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 34 SER OG : rot -7:sc= 0.281 USER MOD Set 1.2: A 37 GLN : amide:sc= 0.279 K(o=0.085,f=-1.8!) USER MOD Set 1.3: A 44 HIS : no HD1:sc= -0.475 K(o=0.085,f=-1.5) 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=-0.00128 USER MOD Single : A 6 SER OG : rot 180:sc= 0.0236 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= 0.545 K(o=0.54,f=-1.3!) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 MET CE :methyl -152:sc= -0.604 (180deg=-1.71) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 MET CE :methyl 155:sc= -0.128 (180deg=-0.766) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot -41:sc=6.12e-05 USER MOD Single : A 40 TYR OH : rot 180:sc= -0.0569 USER MOD Single : A 45 SER OG : rot 180:sc= 0.00116 USER MOD Single : A 46 THR OG1 : rot -160:sc= -0.0719 USER MOD Single : A 49 TYR OH : rot -92:sc= 0.524 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ -142:sc= 0.116 (180deg=-1.67!) USER MOD Single : A 57 THR OG1 : rot -169:sc= 1.37 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -0.264 K(o=-0.26,f=-0.78) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 166:sc=-0.00577 (180deg=-0.163) USER MOD Single : A 65 LYS NZ :NH3+ -145:sc= 0 (180deg=-0.386) USER MOD Single : A 66 MET CE :methyl 179:sc= -0.0156 (180deg=-0.0162) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl -122:sc= -0.0422 (180deg=-0.364) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.093 -12.448 18.617 1.00 0.00 N ATOM 2 CA GLY A 1 -11.213 -12.921 17.542 1.00 0.00 C ATOM 3 C GLY A 1 -11.770 -12.457 16.214 1.00 0.00 C ATOM 4 O GLY A 1 -11.905 -11.250 15.996 1.00 0.00 O ATOM 0 H1 GLY A 1 -11.719 -12.762 19.535 1.00 0.00 H new ATOM 0 H2 GLY A 1 -12.137 -11.409 18.598 1.00 0.00 H new ATOM 0 H3 GLY A 1 -13.048 -12.837 18.481 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.204 -12.534 17.683 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -11.144 -14.009 17.563 1.00 0.00 H new ATOM 8 N SER A 2 -12.173 -13.394 15.352 1.00 0.00 N ATOM 9 CA SER A 2 -12.800 -13.109 14.066 1.00 0.00 C ATOM 10 C SER A 2 -11.869 -12.331 13.125 1.00 0.00 C ATOM 11 O SER A 2 -10.677 -12.172 13.412 1.00 0.00 O ATOM 12 CB SER A 2 -14.176 -12.470 14.301 1.00 0.00 C ATOM 13 OG SER A 2 -15.021 -13.418 14.927 1.00 0.00 O ATOM 0 H SER A 2 -12.069 -14.392 15.536 1.00 0.00 H new ATOM 0 HA SER A 2 -12.979 -14.039 13.527 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.078 -11.582 14.926 1.00 0.00 H new ATOM 0 HB3 SER A 2 -14.608 -12.147 13.354 1.00 0.00 H new ATOM 0 HG SER A 2 -15.902 -13.018 15.083 1.00 0.00 H new ATOM 19 N SER A 3 -12.381 -11.982 11.943 1.00 0.00 N ATOM 20 CA SER A 3 -11.605 -11.786 10.723 1.00 0.00 C ATOM 21 C SER A 3 -10.711 -13.008 10.418 1.00 0.00 C ATOM 22 O SER A 3 -10.705 -14.001 11.159 1.00 0.00 O ATOM 23 CB SER A 3 -10.878 -10.437 10.769 1.00 0.00 C ATOM 24 OG SER A 3 -11.816 -9.379 10.925 1.00 0.00 O ATOM 0 H SER A 3 -13.379 -11.824 11.807 1.00 0.00 H new ATOM 0 HA SER A 3 -12.274 -11.727 9.865 1.00 0.00 H new ATOM 0 HB2 SER A 3 -10.167 -10.427 11.595 1.00 0.00 H new ATOM 0 HB3 SER A 3 -10.305 -10.293 9.853 1.00 0.00 H new ATOM 0 HG SER A 3 -11.341 -8.522 10.955 1.00 0.00 H new ATOM 30 N GLY A 4 -9.964 -12.989 9.316 1.00 0.00 N ATOM 31 CA GLY A 4 -8.973 -14.010 9.015 1.00 0.00 C ATOM 32 C GLY A 4 -8.255 -13.692 7.713 1.00 0.00 C ATOM 33 O GLY A 4 -8.857 -13.109 6.807 1.00 0.00 O ATOM 0 H GLY A 4 -10.032 -12.260 8.606 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -8.251 -14.074 9.829 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -9.457 -14.984 8.941 1.00 0.00 H new ATOM 37 N SER A 5 -6.976 -14.067 7.636 1.00 0.00 N ATOM 38 CA SER A 5 -6.078 -13.745 6.531 1.00 0.00 C ATOM 39 C SER A 5 -4.927 -14.764 6.485 1.00 0.00 C ATOM 40 O SER A 5 -3.771 -14.426 6.760 1.00 0.00 O ATOM 41 CB SER A 5 -5.535 -12.318 6.708 1.00 0.00 C ATOM 42 OG SER A 5 -6.558 -11.339 6.655 1.00 0.00 O ATOM 0 H SER A 5 -6.525 -14.620 8.365 1.00 0.00 H new ATOM 0 HA SER A 5 -6.623 -13.796 5.588 1.00 0.00 H new ATOM 0 HB2 SER A 5 -5.016 -12.246 7.664 1.00 0.00 H new ATOM 0 HB3 SER A 5 -4.800 -12.113 5.930 1.00 0.00 H new ATOM 0 HG SER A 5 -6.165 -10.449 6.774 1.00 0.00 H new ATOM 48 N SER A 6 -5.227 -16.028 6.178 1.00 0.00 N ATOM 49 CA SER A 6 -4.227 -17.083 6.033 1.00 0.00 C ATOM 50 C SER A 6 -4.514 -17.909 4.775 1.00 0.00 C ATOM 51 O SER A 6 -5.486 -17.648 4.054 1.00 0.00 O ATOM 52 CB SER A 6 -4.190 -17.943 7.307 1.00 0.00 C ATOM 53 OG SER A 6 -2.997 -18.707 7.334 1.00 0.00 O ATOM 0 H SER A 6 -6.182 -16.349 6.022 1.00 0.00 H new ATOM 0 HA SER A 6 -3.237 -16.644 5.908 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.245 -17.305 8.189 1.00 0.00 H new ATOM 0 HB3 SER A 6 -5.057 -18.603 7.337 1.00 0.00 H new ATOM 0 HG SER A 6 -2.976 -19.252 8.148 1.00 0.00 H new ATOM 59 N GLY A 7 -3.673 -18.908 4.509 1.00 0.00 N ATOM 60 CA GLY A 7 -3.831 -19.819 3.392 1.00 0.00 C ATOM 61 C GLY A 7 -3.708 -19.084 2.064 1.00 0.00 C ATOM 62 O GLY A 7 -2.918 -18.145 1.908 1.00 0.00 O ATOM 0 H GLY A 7 -2.850 -19.105 5.078 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.076 -20.603 3.449 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.803 -20.308 3.452 1.00 0.00 H new ATOM 66 N ARG A 8 -4.478 -19.545 1.084 1.00 0.00 N ATOM 67 CA ARG A 8 -4.647 -18.911 -0.215 1.00 0.00 C ATOM 68 C ARG A 8 -6.139 -18.673 -0.418 1.00 0.00 C ATOM 69 O ARG A 8 -6.961 -19.215 0.332 1.00 0.00 O ATOM 70 CB ARG A 8 -4.032 -19.789 -1.326 1.00 0.00 C ATOM 71 CG ARG A 8 -2.540 -20.108 -1.100 1.00 0.00 C ATOM 72 CD ARG A 8 -2.316 -21.449 -0.395 1.00 0.00 C ATOM 73 NE ARG A 8 -0.928 -21.612 0.047 1.00 0.00 N ATOM 74 CZ ARG A 8 -0.479 -22.545 0.892 1.00 0.00 C ATOM 75 NH1 ARG A 8 -1.252 -23.539 1.320 1.00 0.00 N ATOM 76 NH2 ARG A 8 0.767 -22.480 1.324 1.00 0.00 N ATOM 0 H ARG A 8 -5.021 -20.403 1.178 1.00 0.00 H new ATOM 0 HA ARG A 8 -4.124 -17.956 -0.260 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -4.590 -20.723 -1.391 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -4.146 -19.282 -2.284 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -2.027 -20.119 -2.061 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -2.090 -19.312 -0.507 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -2.981 -21.522 0.465 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -2.579 -22.262 -1.071 1.00 0.00 H new ATOM 0 HE ARG A 8 -0.243 -20.954 -0.324 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -2.219 -23.606 1.003 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -0.878 -24.235 1.965 1.00 0.00 H new ATOM 0 HH21 ARG A 8 1.376 -21.723 1.013 1.00 0.00 H new ATOM 0 HH22 ARG A 8 1.121 -23.187 1.969 1.00 0.00 H new ATOM 90 N GLY A 9 -6.516 -17.878 -1.409 1.00 0.00 N ATOM 91 CA GLY A 9 -7.910 -17.653 -1.734 1.00 0.00 C ATOM 92 C GLY A 9 -8.066 -16.702 -2.907 1.00 0.00 C ATOM 93 O GLY A 9 -7.233 -15.821 -3.149 1.00 0.00 O ATOM 0 H GLY A 9 -5.862 -17.373 -2.007 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -8.387 -18.604 -1.971 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -8.425 -17.246 -0.864 1.00 0.00 H new ATOM 97 N ARG A 10 -9.187 -16.853 -3.605 1.00 0.00 N ATOM 98 CA ARG A 10 -9.770 -15.833 -4.463 1.00 0.00 C ATOM 99 C ARG A 10 -10.326 -14.738 -3.549 1.00 0.00 C ATOM 100 O ARG A 10 -10.795 -15.059 -2.452 1.00 0.00 O ATOM 101 CB ARG A 10 -10.918 -16.491 -5.257 1.00 0.00 C ATOM 102 CG ARG A 10 -11.205 -15.878 -6.634 1.00 0.00 C ATOM 103 CD ARG A 10 -10.231 -16.388 -7.696 1.00 0.00 C ATOM 104 NE ARG A 10 -10.723 -16.128 -9.059 1.00 0.00 N ATOM 105 CZ ARG A 10 -10.356 -16.793 -10.159 1.00 0.00 C ATOM 106 NH1 ARG A 10 -9.484 -17.788 -10.072 1.00 0.00 N ATOM 107 NH2 ARG A 10 -10.864 -16.470 -11.344 1.00 0.00 N ATOM 0 H ARG A 10 -9.730 -17.716 -3.587 1.00 0.00 H new ATOM 0 HA ARG A 10 -9.043 -15.409 -5.155 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -10.685 -17.547 -5.390 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -11.827 -16.438 -4.658 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -12.226 -16.116 -6.932 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -11.137 -14.792 -6.570 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -9.262 -15.907 -7.561 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -10.077 -17.459 -7.563 1.00 0.00 H new ATOM 0 HE ARG A 10 -11.402 -15.376 -9.174 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -9.093 -18.046 -9.166 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -9.204 -18.296 -10.911 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -11.539 -15.709 -11.419 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -10.578 -16.983 -12.178 1.00 0.00 H new ATOM 121 N TYR A 11 -10.383 -13.493 -4.024 1.00 0.00 N ATOM 122 CA TYR A 11 -11.124 -12.397 -3.392 1.00 0.00 C ATOM 123 C TYR A 11 -10.817 -12.243 -1.891 1.00 0.00 C ATOM 124 O TYR A 11 -11.714 -11.984 -1.079 1.00 0.00 O ATOM 125 CB TYR A 11 -12.626 -12.580 -3.684 1.00 0.00 C ATOM 126 CG TYR A 11 -12.964 -12.693 -5.161 1.00 0.00 C ATOM 127 CD1 TYR A 11 -12.596 -11.668 -6.055 1.00 0.00 C ATOM 128 CD2 TYR A 11 -13.622 -13.838 -5.647 1.00 0.00 C ATOM 129 CE1 TYR A 11 -12.842 -11.806 -7.431 1.00 0.00 C ATOM 130 CE2 TYR A 11 -13.871 -13.978 -7.024 1.00 0.00 C ATOM 131 CZ TYR A 11 -13.453 -12.977 -7.927 1.00 0.00 C ATOM 132 OH TYR A 11 -13.610 -13.157 -9.269 1.00 0.00 O ATOM 0 H TYR A 11 -9.904 -13.211 -4.879 1.00 0.00 H new ATOM 0 HA TYR A 11 -10.792 -11.455 -3.828 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -12.978 -13.476 -3.173 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -13.172 -11.737 -3.261 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -12.123 -10.772 -5.681 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -13.936 -14.611 -4.961 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -12.563 -11.014 -8.111 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -14.384 -14.854 -7.392 1.00 0.00 H new ATOM 0 HH TYR A 11 -14.048 -14.018 -9.435 1.00 0.00 H new ATOM 142 N ARG A 12 -9.549 -12.407 -1.501 1.00 0.00 N ATOM 143 CA ARG A 12 -9.099 -12.341 -0.112 1.00 0.00 C ATOM 144 C ARG A 12 -8.151 -11.167 0.080 1.00 0.00 C ATOM 145 O ARG A 12 -8.396 -10.336 0.949 1.00 0.00 O ATOM 146 CB ARG A 12 -8.466 -13.688 0.318 1.00 0.00 C ATOM 147 CG ARG A 12 -9.213 -14.330 1.498 1.00 0.00 C ATOM 148 CD ARG A 12 -9.118 -13.513 2.797 1.00 0.00 C ATOM 149 NE ARG A 12 -10.048 -14.024 3.812 1.00 0.00 N ATOM 150 CZ ARG A 12 -9.878 -15.057 4.648 1.00 0.00 C ATOM 151 NH1 ARG A 12 -8.753 -15.769 4.664 1.00 0.00 N ATOM 152 NH2 ARG A 12 -10.875 -15.380 5.458 1.00 0.00 N ATOM 0 H ARG A 12 -8.792 -12.593 -2.159 1.00 0.00 H new ATOM 0 HA ARG A 12 -9.958 -12.171 0.537 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -8.468 -14.375 -0.528 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -7.424 -13.526 0.595 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -10.263 -14.453 1.231 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -8.810 -15.327 1.674 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -8.099 -13.552 3.181 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -9.341 -12.466 2.589 1.00 0.00 H new ATOM 0 HE ARG A 12 -10.937 -13.529 3.891 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -7.991 -15.533 4.028 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -8.653 -16.550 5.312 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -11.744 -14.847 5.435 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -10.774 -16.162 6.105 1.00 0.00 H new ATOM 166 N GLN A 13 -7.081 -11.106 -0.710 1.00 0.00 N ATOM 167 CA GLN A 13 -5.973 -10.174 -0.520 1.00 0.00 C ATOM 168 C GLN A 13 -6.081 -9.005 -1.507 1.00 0.00 C ATOM 169 O GLN A 13 -6.819 -9.080 -2.496 1.00 0.00 O ATOM 170 CB GLN A 13 -4.646 -10.950 -0.656 1.00 0.00 C ATOM 171 CG GLN A 13 -4.468 -11.902 0.542 1.00 0.00 C ATOM 172 CD GLN A 13 -3.347 -12.930 0.408 1.00 0.00 C ATOM 173 OE1 GLN A 13 -2.554 -13.121 1.328 1.00 0.00 O ATOM 174 NE2 GLN A 13 -3.288 -13.694 -0.670 1.00 0.00 N ATOM 0 H GLN A 13 -6.958 -11.717 -1.518 1.00 0.00 H new ATOM 0 HA GLN A 13 -6.009 -9.736 0.477 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -4.641 -11.518 -1.586 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -3.810 -10.252 -0.704 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -4.283 -11.304 1.434 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -5.406 -12.433 0.703 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -3.942 -13.543 -1.438 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -2.589 -14.434 -0.733 1.00 0.00 H new ATOM 183 N TYR A 14 -5.352 -7.919 -1.240 1.00 0.00 N ATOM 184 CA TYR A 14 -5.252 -6.776 -2.143 1.00 0.00 C ATOM 185 C TYR A 14 -4.312 -7.119 -3.302 1.00 0.00 C ATOM 186 O TYR A 14 -3.385 -7.918 -3.138 1.00 0.00 O ATOM 187 CB TYR A 14 -4.778 -5.535 -1.364 1.00 0.00 C ATOM 188 CG TYR A 14 -3.357 -5.562 -0.801 1.00 0.00 C ATOM 189 CD1 TYR A 14 -2.283 -5.123 -1.594 1.00 0.00 C ATOM 190 CD2 TYR A 14 -3.100 -5.926 0.537 1.00 0.00 C ATOM 191 CE1 TYR A 14 -0.970 -5.102 -1.104 1.00 0.00 C ATOM 192 CE2 TYR A 14 -1.789 -5.900 1.051 1.00 0.00 C ATOM 193 CZ TYR A 14 -0.718 -5.486 0.227 1.00 0.00 C ATOM 194 OH TYR A 14 0.563 -5.491 0.684 1.00 0.00 O ATOM 0 H TYR A 14 -4.811 -7.810 -0.382 1.00 0.00 H new ATOM 0 HA TYR A 14 -6.230 -6.545 -2.564 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -4.864 -4.670 -2.022 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -5.467 -5.374 -0.535 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -2.474 -4.794 -2.605 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -3.918 -6.228 1.175 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -0.156 -4.793 -1.744 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -1.602 -6.196 2.073 1.00 0.00 H new ATOM 0 HH TYR A 14 0.575 -5.778 1.621 1.00 0.00 H new ATOM 204 N ASN A 15 -4.501 -6.505 -4.472 1.00 0.00 N ATOM 205 CA ASN A 15 -3.527 -6.579 -5.566 1.00 0.00 C ATOM 206 C ASN A 15 -2.524 -5.449 -5.409 1.00 0.00 C ATOM 207 O ASN A 15 -2.867 -4.417 -4.836 1.00 0.00 O ATOM 208 CB ASN A 15 -4.200 -6.461 -6.946 1.00 0.00 C ATOM 209 CG ASN A 15 -4.966 -7.711 -7.346 1.00 0.00 C ATOM 210 OD1 ASN A 15 -4.747 -8.792 -6.797 1.00 0.00 O ATOM 211 ND2 ASN A 15 -5.875 -7.584 -8.291 1.00 0.00 N ATOM 0 H ASN A 15 -5.327 -5.946 -4.688 1.00 0.00 H new ATOM 0 HA ASN A 15 -3.035 -7.550 -5.514 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -4.882 -5.611 -6.939 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -3.439 -6.253 -7.698 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -6.420 -8.394 -8.587 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -6.034 -6.676 -8.727 1.00 0.00 H new ATOM 218 N SER A 16 -1.333 -5.577 -5.999 1.00 0.00 N ATOM 219 CA SER A 16 -0.381 -4.467 -6.058 1.00 0.00 C ATOM 220 C SER A 16 -1.011 -3.206 -6.678 1.00 0.00 C ATOM 221 O SER A 16 -0.568 -2.095 -6.390 1.00 0.00 O ATOM 222 CB SER A 16 0.866 -4.888 -6.843 1.00 0.00 C ATOM 223 OG SER A 16 1.420 -6.099 -6.348 1.00 0.00 O ATOM 0 H SER A 16 -1.006 -6.436 -6.441 1.00 0.00 H new ATOM 0 HA SER A 16 -0.094 -4.217 -5.037 1.00 0.00 H new ATOM 0 HB2 SER A 16 0.609 -5.010 -7.895 1.00 0.00 H new ATOM 0 HB3 SER A 16 1.614 -4.097 -6.787 1.00 0.00 H new ATOM 0 HG SER A 16 2.212 -6.336 -6.875 1.00 0.00 H new ATOM 229 N GLU A 17 -2.047 -3.378 -7.502 1.00 0.00 N ATOM 230 CA GLU A 17 -2.897 -2.343 -8.070 1.00 0.00 C ATOM 231 C GLU A 17 -3.577 -1.545 -6.956 1.00 0.00 C ATOM 232 O GLU A 17 -3.308 -0.356 -6.819 1.00 0.00 O ATOM 233 CB GLU A 17 -3.971 -2.978 -8.967 1.00 0.00 C ATOM 234 CG GLU A 17 -3.443 -4.020 -9.951 1.00 0.00 C ATOM 235 CD GLU A 17 -4.633 -4.616 -10.688 1.00 0.00 C ATOM 236 OE1 GLU A 17 -5.020 -4.061 -11.743 1.00 0.00 O ATOM 237 OE2 GLU A 17 -5.242 -5.579 -10.175 1.00 0.00 O ATOM 0 H GLU A 17 -2.329 -4.310 -7.807 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.276 -1.673 -8.664 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -4.725 -3.445 -8.333 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -4.471 -2.188 -9.528 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -2.749 -3.562 -10.656 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.893 -4.799 -9.423 1.00 0.00 H new ATOM 244 N ILE A 18 -4.418 -2.231 -6.169 1.00 0.00 N ATOM 245 CA ILE A 18 -5.252 -1.741 -5.071 1.00 0.00 C ATOM 246 C ILE A 18 -4.409 -0.958 -4.075 1.00 0.00 C ATOM 247 O ILE A 18 -4.867 0.021 -3.491 1.00 0.00 O ATOM 248 CB ILE A 18 -5.913 -2.960 -4.373 1.00 0.00 C ATOM 249 CG1 ILE A 18 -7.007 -3.625 -5.226 1.00 0.00 C ATOM 250 CG2 ILE A 18 -6.439 -2.654 -2.962 1.00 0.00 C ATOM 251 CD1 ILE A 18 -8.358 -2.925 -5.090 1.00 0.00 C ATOM 0 H ILE A 18 -4.540 -3.235 -6.300 1.00 0.00 H new ATOM 0 HA ILE A 18 -6.021 -1.074 -5.461 1.00 0.00 H new ATOM 0 HB ILE A 18 -5.099 -3.676 -4.262 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -6.702 -3.619 -6.272 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -7.110 -4.669 -4.930 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -6.887 -3.553 -2.538 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -5.614 -2.326 -2.329 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -7.190 -1.866 -3.017 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -9.095 -3.433 -5.712 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -8.680 -2.954 -4.049 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -8.265 -1.888 -5.412 1.00 0.00 H new ATOM 263 N LEU A 19 -3.197 -1.436 -3.811 1.00 0.00 N ATOM 264 CA LEU A 19 -2.353 -0.806 -2.823 1.00 0.00 C ATOM 265 C LEU A 19 -2.017 0.628 -3.261 1.00 0.00 C ATOM 266 O LEU A 19 -2.039 1.522 -2.418 1.00 0.00 O ATOM 267 CB LEU A 19 -1.119 -1.690 -2.618 1.00 0.00 C ATOM 268 CG LEU A 19 -0.048 -1.045 -1.733 1.00 0.00 C ATOM 269 CD1 LEU A 19 -0.620 -0.691 -0.356 1.00 0.00 C ATOM 270 CD2 LEU A 19 1.115 -2.025 -1.560 1.00 0.00 C ATOM 0 H LEU A 19 -2.787 -2.251 -4.267 1.00 0.00 H new ATOM 0 HA LEU A 19 -2.859 -0.714 -1.862 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.428 -2.635 -2.171 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.684 -1.924 -3.589 1.00 0.00 H new ATOM 0 HG LEU A 19 0.297 -0.129 -2.212 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.159 -0.234 0.255 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.446 0.010 -0.474 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.980 -1.597 0.132 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.882 -1.573 -0.931 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.753 -2.940 -1.090 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.540 -2.262 -2.536 1.00 0.00 H new ATOM 282 N GLU A 20 -1.779 0.874 -4.559 1.00 0.00 N ATOM 283 CA GLU A 20 -1.486 2.221 -5.058 1.00 0.00 C ATOM 284 C GLU A 20 -2.671 3.163 -4.803 1.00 0.00 C ATOM 285 O GLU A 20 -2.493 4.371 -4.630 1.00 0.00 O ATOM 286 CB GLU A 20 -1.233 2.238 -6.580 1.00 0.00 C ATOM 287 CG GLU A 20 -0.152 1.323 -7.154 1.00 0.00 C ATOM 288 CD GLU A 20 1.251 1.865 -6.921 1.00 0.00 C ATOM 289 OE1 GLU A 20 1.724 1.764 -5.771 1.00 0.00 O ATOM 290 OE2 GLU A 20 1.919 2.308 -7.886 1.00 0.00 O ATOM 0 H GLU A 20 -1.785 0.154 -5.281 1.00 0.00 H new ATOM 0 HA GLU A 20 -0.592 2.547 -4.527 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -2.172 1.990 -7.074 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -0.984 3.261 -6.862 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -0.237 0.336 -6.700 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -0.317 1.197 -8.224 1.00 0.00 H new ATOM 297 N GLU A 21 -3.889 2.622 -4.838 1.00 0.00 N ATOM 298 CA GLU A 21 -5.148 3.319 -4.656 1.00 0.00 C ATOM 299 C GLU A 21 -5.275 3.777 -3.213 1.00 0.00 C ATOM 300 O GLU A 21 -5.398 4.971 -2.947 1.00 0.00 O ATOM 301 CB GLU A 21 -6.297 2.398 -5.027 1.00 0.00 C ATOM 302 CG GLU A 21 -6.258 1.748 -6.414 1.00 0.00 C ATOM 303 CD GLU A 21 -6.702 2.692 -7.524 1.00 0.00 C ATOM 304 OE1 GLU A 21 -6.337 3.888 -7.532 1.00 0.00 O ATOM 305 OE2 GLU A 21 -7.486 2.244 -8.390 1.00 0.00 O ATOM 0 H GLU A 21 -4.023 1.625 -5.005 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.179 4.196 -5.303 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -6.345 1.603 -4.283 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -7.224 2.966 -4.947 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -5.244 1.404 -6.620 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -6.900 0.867 -6.415 1.00 0.00 H new ATOM 312 N ALA A 22 -5.180 2.825 -2.283 1.00 0.00 N ATOM 313 CA ALA A 22 -5.251 3.070 -0.847 1.00 0.00 C ATOM 314 C ALA A 22 -4.103 3.945 -0.349 1.00 0.00 C ATOM 315 O ALA A 22 -4.174 4.489 0.755 1.00 0.00 O ATOM 316 CB ALA A 22 -5.218 1.725 -0.135 1.00 0.00 C ATOM 0 H ALA A 22 -5.049 1.841 -2.516 1.00 0.00 H new ATOM 0 HA ALA A 22 -6.175 3.608 -0.633 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.270 1.882 0.942 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.068 1.123 -0.455 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -4.292 1.205 -0.382 1.00 0.00 H new ATOM 322 N ILE A 23 -3.055 4.093 -1.157 1.00 0.00 N ATOM 323 CA ILE A 23 -2.003 5.066 -0.898 1.00 0.00 C ATOM 324 C ILE A 23 -2.470 6.416 -1.433 1.00 0.00 C ATOM 325 O ILE A 23 -2.471 7.386 -0.676 1.00 0.00 O ATOM 326 CB ILE A 23 -0.683 4.543 -1.491 1.00 0.00 C ATOM 327 CG1 ILE A 23 -0.142 3.468 -0.524 1.00 0.00 C ATOM 328 CG2 ILE A 23 0.389 5.627 -1.715 1.00 0.00 C ATOM 329 CD1 ILE A 23 0.815 2.529 -1.248 1.00 0.00 C ATOM 0 H ILE A 23 -2.914 3.544 -2.005 1.00 0.00 H new ATOM 0 HA ILE A 23 -1.805 5.209 0.164 1.00 0.00 H new ATOM 0 HB ILE A 23 -0.899 4.146 -2.483 1.00 0.00 H new ATOM 0 HG12 ILE A 23 0.371 3.946 0.310 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -0.971 2.898 -0.104 1.00 0.00 H new ATOM 0 HG21 ILE A 23 1.285 5.171 -2.135 1.00 0.00 H new ATOM 0 HG22 ILE A 23 0.007 6.379 -2.405 1.00 0.00 H new ATOM 0 HG23 ILE A 23 0.634 6.099 -0.763 1.00 0.00 H new ATOM 0 HD11 ILE A 23 1.186 1.778 -0.550 1.00 0.00 H new ATOM 0 HD12 ILE A 23 0.291 2.036 -2.067 1.00 0.00 H new ATOM 0 HD13 ILE A 23 1.654 3.100 -1.646 1.00 0.00 H new ATOM 341 N SER A 24 -2.905 6.476 -2.695 1.00 0.00 N ATOM 342 CA SER A 24 -3.449 7.677 -3.316 1.00 0.00 C ATOM 343 C SER A 24 -4.484 8.392 -2.450 1.00 0.00 C ATOM 344 O SER A 24 -4.346 9.599 -2.284 1.00 0.00 O ATOM 345 CB SER A 24 -4.024 7.358 -4.696 1.00 0.00 C ATOM 346 OG SER A 24 -2.990 7.458 -5.651 1.00 0.00 O ATOM 0 H SER A 24 -2.886 5.672 -3.322 1.00 0.00 H new ATOM 0 HA SER A 24 -2.614 8.369 -3.427 1.00 0.00 H new ATOM 0 HB2 SER A 24 -4.451 6.355 -4.705 1.00 0.00 H new ATOM 0 HB3 SER A 24 -4.831 8.050 -4.938 1.00 0.00 H new ATOM 0 HG SER A 24 -3.346 7.254 -6.541 1.00 0.00 H new ATOM 352 N VAL A 25 -5.477 7.704 -1.877 1.00 0.00 N ATOM 353 CA VAL A 25 -6.441 8.332 -0.971 1.00 0.00 C ATOM 354 C VAL A 25 -5.713 9.086 0.148 1.00 0.00 C ATOM 355 O VAL A 25 -5.880 10.289 0.296 1.00 0.00 O ATOM 356 CB VAL A 25 -7.479 7.313 -0.434 1.00 0.00 C ATOM 357 CG1 VAL A 25 -8.763 7.351 -1.256 1.00 0.00 C ATOM 358 CG2 VAL A 25 -6.982 5.899 -0.315 1.00 0.00 C ATOM 0 H VAL A 25 -5.633 6.707 -2.026 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.014 9.067 -1.537 1.00 0.00 H new ATOM 0 HB VAL A 25 -7.679 7.640 0.586 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -9.472 6.626 -0.857 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -9.197 8.349 -1.206 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -8.538 7.105 -2.294 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -7.780 5.264 0.069 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -6.671 5.539 -1.296 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -6.133 5.868 0.368 1.00 0.00 H new ATOM 368 N VAL A 26 -4.899 8.402 0.936 1.00 0.00 N ATOM 369 CA VAL A 26 -4.163 8.940 2.073 1.00 0.00 C ATOM 370 C VAL A 26 -3.234 10.078 1.635 1.00 0.00 C ATOM 371 O VAL A 26 -3.210 11.112 2.305 1.00 0.00 O ATOM 372 CB VAL A 26 -3.418 7.792 2.788 1.00 0.00 C ATOM 373 CG1 VAL A 26 -2.663 8.284 4.029 1.00 0.00 C ATOM 374 CG2 VAL A 26 -4.406 6.706 3.247 1.00 0.00 C ATOM 0 H VAL A 26 -4.724 7.407 0.794 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.857 9.380 2.790 1.00 0.00 H new ATOM 0 HB VAL A 26 -2.708 7.390 2.065 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.153 7.444 4.501 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -1.930 9.035 3.735 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.369 8.723 4.734 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -3.861 5.906 3.748 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -5.129 7.140 3.937 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -4.929 6.301 2.381 1.00 0.00 H new ATOM 384 N MET A 27 -2.514 9.934 0.519 1.00 0.00 N ATOM 385 CA MET A 27 -1.656 10.974 -0.040 1.00 0.00 C ATOM 386 C MET A 27 -2.470 12.227 -0.368 1.00 0.00 C ATOM 387 O MET A 27 -2.154 13.317 0.116 1.00 0.00 O ATOM 388 CB MET A 27 -0.946 10.452 -1.292 1.00 0.00 C ATOM 389 CG MET A 27 0.150 9.454 -0.932 1.00 0.00 C ATOM 390 SD MET A 27 1.188 9.040 -2.351 1.00 0.00 S ATOM 391 CE MET A 27 2.693 8.651 -1.438 1.00 0.00 C ATOM 0 H MET A 27 -2.513 9.074 -0.029 1.00 0.00 H new ATOM 0 HA MET A 27 -0.905 11.242 0.703 1.00 0.00 H new ATOM 0 HB2 MET A 27 -1.671 9.976 -1.952 1.00 0.00 H new ATOM 0 HB3 MET A 27 -0.514 11.288 -1.842 1.00 0.00 H new ATOM 0 HG2 MET A 27 0.771 9.870 -0.138 1.00 0.00 H new ATOM 0 HG3 MET A 27 -0.304 8.545 -0.538 1.00 0.00 H new ATOM 0 HE1 MET A 27 3.561 8.850 -2.066 1.00 0.00 H new ATOM 0 HE2 MET A 27 2.745 9.269 -0.542 1.00 0.00 H new ATOM 0 HE3 MET A 27 2.684 7.599 -1.153 1.00 0.00 H new ATOM 401 N SER A 28 -3.554 12.072 -1.128 1.00 0.00 N ATOM 402 CA SER A 28 -4.567 13.081 -1.400 1.00 0.00 C ATOM 403 C SER A 28 -5.400 13.446 -0.162 1.00 0.00 C ATOM 404 O SER A 28 -6.425 14.108 -0.309 1.00 0.00 O ATOM 405 CB SER A 28 -5.478 12.579 -2.526 1.00 0.00 C ATOM 406 OG SER A 28 -4.770 12.416 -3.743 1.00 0.00 O ATOM 0 H SER A 28 -3.756 11.188 -1.595 1.00 0.00 H new ATOM 0 HA SER A 28 -4.053 13.994 -1.701 1.00 0.00 H new ATOM 0 HB2 SER A 28 -5.925 11.628 -2.235 1.00 0.00 H new ATOM 0 HB3 SER A 28 -6.296 13.284 -2.673 1.00 0.00 H new ATOM 0 HG SER A 28 -5.382 12.093 -4.437 1.00 0.00 H new ATOM 412 N GLY A 29 -5.018 13.017 1.048 1.00 0.00 N ATOM 413 CA GLY A 29 -5.631 13.467 2.287 1.00 0.00 C ATOM 414 C GLY A 29 -7.061 12.980 2.475 1.00 0.00 C ATOM 415 O GLY A 29 -7.744 13.441 3.394 1.00 0.00 O ATOM 0 H GLY A 29 -4.267 12.341 1.187 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -5.026 13.124 3.127 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -5.622 14.557 2.312 1.00 0.00 H new ATOM 419 N LYS A 30 -7.522 12.031 1.655 1.00 0.00 N ATOM 420 CA LYS A 30 -8.911 11.586 1.627 1.00 0.00 C ATOM 421 C LYS A 30 -9.292 10.961 2.954 1.00 0.00 C ATOM 422 O LYS A 30 -10.451 11.028 3.361 1.00 0.00 O ATOM 423 CB LYS A 30 -9.094 10.587 0.474 1.00 0.00 C ATOM 424 CG LYS A 30 -8.831 11.185 -0.919 1.00 0.00 C ATOM 425 CD LYS A 30 -9.635 12.450 -1.215 1.00 0.00 C ATOM 426 CE LYS A 30 -9.420 12.803 -2.686 1.00 0.00 C ATOM 427 NZ LYS A 30 -10.027 14.101 -3.023 1.00 0.00 N ATOM 0 H LYS A 30 -6.928 11.545 0.983 1.00 0.00 H new ATOM 0 HA LYS A 30 -9.567 12.441 1.464 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -8.422 9.743 0.628 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -10.111 10.195 0.504 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -7.769 11.412 -1.011 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -9.063 10.435 -1.675 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -10.693 12.287 -1.011 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -9.310 13.269 -0.574 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -8.352 12.832 -2.902 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -9.851 12.024 -3.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -9.863 14.310 -4.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -11.050 14.064 -2.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -9.598 14.847 -2.439 1.00 0.00 H new ATOM 441 N MET A 31 -8.319 10.365 3.640 1.00 0.00 N ATOM 442 CA MET A 31 -8.501 9.722 4.919 1.00 0.00 C ATOM 443 C MET A 31 -7.151 9.462 5.580 1.00 0.00 C ATOM 444 O MET A 31 -6.107 9.686 4.964 1.00 0.00 O ATOM 445 CB MET A 31 -9.231 8.405 4.691 1.00 0.00 C ATOM 446 CG MET A 31 -8.505 7.417 3.799 1.00 0.00 C ATOM 447 SD MET A 31 -9.609 6.181 3.083 1.00 0.00 S ATOM 448 CE MET A 31 -10.567 7.176 1.954 1.00 0.00 C ATOM 0 H MET A 31 -7.357 10.320 3.303 1.00 0.00 H new ATOM 0 HA MET A 31 -9.082 10.367 5.578 1.00 0.00 H new ATOM 0 HB2 MET A 31 -9.411 7.935 5.658 1.00 0.00 H new ATOM 0 HB3 MET A 31 -10.206 8.618 4.253 1.00 0.00 H new ATOM 0 HG2 MET A 31 -8.004 7.959 2.997 1.00 0.00 H new ATOM 0 HG3 MET A 31 -7.730 6.914 4.377 1.00 0.00 H new ATOM 0 HE1 MET A 31 -10.953 6.547 1.152 1.00 0.00 H new ATOM 0 HE2 MET A 31 -11.400 7.633 2.489 1.00 0.00 H new ATOM 0 HE3 MET A 31 -9.935 7.957 1.531 1.00 0.00 H new ATOM 458 N SER A 32 -7.199 8.948 6.809 1.00 0.00 N ATOM 459 CA SER A 32 -6.036 8.510 7.563 1.00 0.00 C ATOM 460 C SER A 32 -5.708 7.059 7.201 1.00 0.00 C ATOM 461 O SER A 32 -6.498 6.378 6.546 1.00 0.00 O ATOM 462 CB SER A 32 -6.313 8.673 9.063 1.00 0.00 C ATOM 463 OG SER A 32 -6.706 10.004 9.365 1.00 0.00 O ATOM 0 H SER A 32 -8.075 8.824 7.317 1.00 0.00 H new ATOM 0 HA SER A 32 -5.169 9.121 7.311 1.00 0.00 H new ATOM 0 HB2 SER A 32 -7.097 7.980 9.369 1.00 0.00 H new ATOM 0 HB3 SER A 32 -5.420 8.416 9.632 1.00 0.00 H new ATOM 0 HG SER A 32 -6.879 10.084 10.326 1.00 0.00 H new ATOM 469 N VAL A 33 -4.558 6.569 7.654 1.00 0.00 N ATOM 470 CA VAL A 33 -4.070 5.228 7.377 1.00 0.00 C ATOM 471 C VAL A 33 -5.066 4.180 7.869 1.00 0.00 C ATOM 472 O VAL A 33 -5.485 3.353 7.065 1.00 0.00 O ATOM 473 CB VAL A 33 -2.647 5.052 7.944 1.00 0.00 C ATOM 474 CG1 VAL A 33 -2.039 3.684 7.615 1.00 0.00 C ATOM 475 CG2 VAL A 33 -1.721 6.129 7.367 1.00 0.00 C ATOM 0 H VAL A 33 -3.924 7.112 8.240 1.00 0.00 H new ATOM 0 HA VAL A 33 -3.991 5.079 6.300 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.735 5.138 9.027 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.037 3.619 8.040 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -2.664 2.897 8.037 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.983 3.562 6.533 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.717 6.000 7.771 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -1.690 6.038 6.281 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.097 7.116 7.638 1.00 0.00 H new ATOM 485 N SER A 34 -5.496 4.226 9.137 1.00 0.00 N ATOM 486 CA SER A 34 -6.428 3.216 9.660 1.00 0.00 C ATOM 487 C SER A 34 -7.751 3.209 8.895 1.00 0.00 C ATOM 488 O SER A 34 -8.362 2.157 8.701 1.00 0.00 O ATOM 489 CB SER A 34 -6.682 3.442 11.157 1.00 0.00 C ATOM 490 OG SER A 34 -6.654 2.199 11.825 1.00 0.00 O ATOM 0 H SER A 34 -5.219 4.940 9.811 1.00 0.00 H new ATOM 0 HA SER A 34 -5.961 2.241 9.520 1.00 0.00 H new ATOM 0 HB2 SER A 34 -5.924 4.108 11.570 1.00 0.00 H new ATOM 0 HB3 SER A 34 -7.647 3.927 11.305 1.00 0.00 H new ATOM 0 HG SER A 34 -6.598 1.475 11.167 1.00 0.00 H new ATOM 496 N LYS A 35 -8.180 4.383 8.434 1.00 0.00 N ATOM 497 CA LYS A 35 -9.371 4.529 7.633 1.00 0.00 C ATOM 498 C LYS A 35 -9.185 3.780 6.317 1.00 0.00 C ATOM 499 O LYS A 35 -9.807 2.735 6.166 1.00 0.00 O ATOM 500 CB LYS A 35 -9.746 6.002 7.542 1.00 0.00 C ATOM 501 CG LYS A 35 -11.003 6.207 6.693 1.00 0.00 C ATOM 502 CD LYS A 35 -11.820 7.405 7.160 1.00 0.00 C ATOM 503 CE LYS A 35 -12.707 7.929 6.028 1.00 0.00 C ATOM 504 NZ LYS A 35 -13.680 8.920 6.524 1.00 0.00 N ATOM 0 H LYS A 35 -7.697 5.263 8.614 1.00 0.00 H new ATOM 0 HA LYS A 35 -10.244 4.062 8.090 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -9.913 6.399 8.543 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -8.918 6.564 7.110 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -10.717 6.348 5.651 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -11.620 5.309 6.736 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -12.438 7.120 8.011 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -11.152 8.196 7.502 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -12.085 8.382 5.256 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -13.237 7.097 5.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -14.266 9.256 5.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -14.288 8.479 7.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -13.172 9.724 6.945 1.00 0.00 H new ATOM 518 N ALA A 36 -8.339 4.249 5.396 1.00 0.00 N ATOM 519 CA ALA A 36 -8.055 3.568 4.135 1.00 0.00 C ATOM 520 C ALA A 36 -7.686 2.101 4.288 1.00 0.00 C ATOM 521 O ALA A 36 -8.201 1.298 3.519 1.00 0.00 O ATOM 522 CB ALA A 36 -6.914 4.281 3.404 1.00 0.00 C ATOM 0 H ALA A 36 -7.827 5.124 5.509 1.00 0.00 H new ATOM 0 HA ALA A 36 -8.984 3.607 3.566 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -6.707 3.768 2.465 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -7.202 5.312 3.199 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -6.020 4.271 4.027 1.00 0.00 H new ATOM 528 N GLN A 37 -6.879 1.710 5.273 1.00 0.00 N ATOM 529 CA GLN A 37 -6.635 0.317 5.602 1.00 0.00 C ATOM 530 C GLN A 37 -7.956 -0.443 5.579 1.00 0.00 C ATOM 531 O GLN A 37 -8.085 -1.429 4.851 1.00 0.00 O ATOM 532 CB GLN A 37 -5.907 0.256 6.957 1.00 0.00 C ATOM 533 CG GLN A 37 -6.104 -1.070 7.713 1.00 0.00 C ATOM 534 CD GLN A 37 -6.712 -1.006 9.112 1.00 0.00 C ATOM 535 OE1 GLN A 37 -6.379 -0.180 9.959 1.00 0.00 O ATOM 536 NE2 GLN A 37 -7.590 -1.947 9.406 1.00 0.00 N ATOM 0 H GLN A 37 -6.372 2.364 5.869 1.00 0.00 H new ATOM 0 HA GLN A 37 -5.990 -0.167 4.869 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -4.841 0.414 6.793 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -6.258 1.076 7.584 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -6.736 -1.714 7.102 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -5.133 -1.559 7.791 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -7.862 -2.630 8.699 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -7.996 -1.991 10.341 1.00 0.00 H new ATOM 545 N SER A 38 -8.922 0.019 6.368 1.00 0.00 N ATOM 546 CA SER A 38 -10.168 -0.686 6.543 1.00 0.00 C ATOM 547 C SER A 38 -11.112 -0.496 5.334 1.00 0.00 C ATOM 548 O SER A 38 -12.154 -1.151 5.280 1.00 0.00 O ATOM 549 CB SER A 38 -10.825 -0.158 7.819 1.00 0.00 C ATOM 550 OG SER A 38 -11.764 -1.068 8.367 1.00 0.00 O ATOM 0 H SER A 38 -8.855 0.888 6.897 1.00 0.00 H new ATOM 0 HA SER A 38 -9.971 -1.755 6.620 1.00 0.00 H new ATOM 0 HB2 SER A 38 -10.054 0.052 8.560 1.00 0.00 H new ATOM 0 HB3 SER A 38 -11.324 0.786 7.602 1.00 0.00 H new ATOM 0 HG SER A 38 -12.294 -1.466 7.645 1.00 0.00 H new ATOM 556 N ILE A 39 -10.811 0.416 4.397 1.00 0.00 N ATOM 557 CA ILE A 39 -11.590 0.626 3.173 1.00 0.00 C ATOM 558 C ILE A 39 -11.084 -0.309 2.066 1.00 0.00 C ATOM 559 O ILE A 39 -11.881 -0.855 1.301 1.00 0.00 O ATOM 560 CB ILE A 39 -11.625 2.124 2.759 1.00 0.00 C ATOM 561 CG1 ILE A 39 -12.335 2.918 3.874 1.00 0.00 C ATOM 562 CG2 ILE A 39 -12.333 2.329 1.407 1.00 0.00 C ATOM 563 CD1 ILE A 39 -12.780 4.342 3.546 1.00 0.00 C ATOM 0 H ILE A 39 -10.006 1.037 4.472 1.00 0.00 H new ATOM 0 HA ILE A 39 -12.631 0.364 3.362 1.00 0.00 H new ATOM 0 HB ILE A 39 -10.604 2.483 2.632 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -13.214 2.353 4.183 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -11.667 2.963 4.734 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -12.336 3.389 1.155 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -11.805 1.773 0.632 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -13.360 1.970 1.476 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -13.264 4.782 4.418 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -11.911 4.941 3.272 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -13.483 4.321 2.713 1.00 0.00 H new ATOM 575 N TYR A 40 -9.771 -0.514 1.983 1.00 0.00 N ATOM 576 CA TYR A 40 -9.098 -1.175 0.867 1.00 0.00 C ATOM 577 C TYR A 40 -8.659 -2.603 1.212 1.00 0.00 C ATOM 578 O TYR A 40 -8.387 -3.399 0.313 1.00 0.00 O ATOM 579 CB TYR A 40 -7.920 -0.295 0.429 1.00 0.00 C ATOM 580 CG TYR A 40 -8.336 0.978 -0.306 1.00 0.00 C ATOM 581 CD1 TYR A 40 -8.768 2.104 0.418 1.00 0.00 C ATOM 582 CD2 TYR A 40 -8.178 1.100 -1.698 1.00 0.00 C ATOM 583 CE1 TYR A 40 -9.123 3.299 -0.216 1.00 0.00 C ATOM 584 CE2 TYR A 40 -8.522 2.299 -2.345 1.00 0.00 C ATOM 585 CZ TYR A 40 -9.060 3.378 -1.616 1.00 0.00 C ATOM 586 OH TYR A 40 -9.481 4.522 -2.209 1.00 0.00 O ATOM 0 H TYR A 40 -9.126 -0.215 2.714 1.00 0.00 H new ATOM 0 HA TYR A 40 -9.797 -1.286 0.038 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -7.338 -0.021 1.309 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -7.265 -0.878 -0.218 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -8.827 2.044 1.495 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -7.791 0.270 -2.271 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -9.442 4.152 0.365 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -8.373 2.394 -3.410 1.00 0.00 H new ATOM 0 HH TYR A 40 -9.382 4.442 -3.181 1.00 0.00 H new ATOM 596 N GLY A 41 -8.635 -2.963 2.498 1.00 0.00 N ATOM 597 CA GLY A 41 -8.354 -4.320 2.964 1.00 0.00 C ATOM 598 C GLY A 41 -6.873 -4.521 3.276 1.00 0.00 C ATOM 599 O GLY A 41 -6.411 -5.653 3.411 1.00 0.00 O ATOM 0 H GLY A 41 -8.814 -2.306 3.257 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -8.944 -4.526 3.857 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -8.665 -5.036 2.204 1.00 0.00 H new ATOM 603 N ILE A 42 -6.109 -3.442 3.415 1.00 0.00 N ATOM 604 CA ILE A 42 -4.659 -3.473 3.557 1.00 0.00 C ATOM 605 C ILE A 42 -4.381 -3.576 5.067 1.00 0.00 C ATOM 606 O ILE A 42 -5.232 -3.174 5.860 1.00 0.00 O ATOM 607 CB ILE A 42 -4.078 -2.172 2.935 1.00 0.00 C ATOM 608 CG1 ILE A 42 -4.676 -1.741 1.580 1.00 0.00 C ATOM 609 CG2 ILE A 42 -2.549 -2.270 2.779 1.00 0.00 C ATOM 610 CD1 ILE A 42 -4.522 -2.751 0.460 1.00 0.00 C ATOM 0 H ILE A 42 -6.493 -2.497 3.432 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.191 -4.313 3.043 1.00 0.00 H new ATOM 0 HB ILE A 42 -4.365 -1.403 3.653 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -5.737 -1.533 1.718 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -4.206 -0.807 1.273 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -2.168 -1.347 2.342 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -2.093 -2.424 3.757 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -2.303 -3.109 2.128 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -4.974 -2.357 -0.450 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -3.463 -2.943 0.286 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -5.018 -3.681 0.738 1.00 0.00 H new ATOM 622 N PRO A 43 -3.254 -4.143 5.523 1.00 0.00 N ATOM 623 CA PRO A 43 -2.787 -3.941 6.892 1.00 0.00 C ATOM 624 C PRO A 43 -2.489 -2.461 7.139 1.00 0.00 C ATOM 625 O PRO A 43 -1.979 -1.791 6.239 1.00 0.00 O ATOM 626 CB PRO A 43 -1.494 -4.745 7.006 1.00 0.00 C ATOM 627 CG PRO A 43 -1.553 -5.747 5.851 1.00 0.00 C ATOM 628 CD PRO A 43 -2.378 -5.035 4.790 1.00 0.00 C ATOM 0 HA PRO A 43 -3.536 -4.255 7.619 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -0.619 -4.100 6.926 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -1.428 -5.254 7.968 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -0.556 -5.992 5.484 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -2.019 -6.683 6.158 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -1.740 -4.482 4.101 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -2.950 -5.746 4.194 1.00 0.00 H new ATOM 636 N HIS A 44 -2.700 -1.968 8.362 1.00 0.00 N ATOM 637 CA HIS A 44 -2.339 -0.597 8.710 1.00 0.00 C ATOM 638 C HIS A 44 -0.830 -0.451 8.615 1.00 0.00 C ATOM 639 O HIS A 44 -0.358 0.470 7.968 1.00 0.00 O ATOM 640 CB HIS A 44 -2.827 -0.244 10.119 1.00 0.00 C ATOM 641 CG HIS A 44 -2.650 1.206 10.520 1.00 0.00 C ATOM 642 ND1 HIS A 44 -3.663 2.065 10.889 1.00 0.00 N ATOM 643 CD2 HIS A 44 -1.462 1.874 10.692 1.00 0.00 C ATOM 644 CE1 HIS A 44 -3.103 3.229 11.252 1.00 0.00 C ATOM 645 NE2 HIS A 44 -1.763 3.153 11.179 1.00 0.00 N ATOM 0 H HIS A 44 -3.119 -2.500 9.125 1.00 0.00 H new ATOM 0 HA HIS A 44 -2.820 0.091 8.015 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -3.884 -0.498 10.194 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -2.297 -0.870 10.837 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -0.475 1.484 10.489 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -3.653 4.106 11.560 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -1.096 3.883 11.429 1.00 0.00 H new ATOM 653 N SER A 45 -0.084 -1.355 9.251 1.00 0.00 N ATOM 654 CA SER A 45 1.366 -1.270 9.376 1.00 0.00 C ATOM 655 C SER A 45 2.021 -1.238 7.987 1.00 0.00 C ATOM 656 O SER A 45 2.910 -0.425 7.727 1.00 0.00 O ATOM 657 CB SER A 45 1.887 -2.455 10.203 1.00 0.00 C ATOM 658 OG SER A 45 1.111 -2.736 11.364 1.00 0.00 O ATOM 0 H SER A 45 -0.480 -2.180 9.701 1.00 0.00 H new ATOM 0 HA SER A 45 1.628 -0.346 9.892 1.00 0.00 H new ATOM 0 HB2 SER A 45 1.912 -3.343 9.571 1.00 0.00 H new ATOM 0 HB3 SER A 45 2.914 -2.250 10.506 1.00 0.00 H new ATOM 0 HG SER A 45 1.498 -3.500 11.839 1.00 0.00 H new ATOM 664 N THR A 46 1.554 -2.103 7.082 1.00 0.00 N ATOM 665 CA THR A 46 2.017 -2.173 5.707 1.00 0.00 C ATOM 666 C THR A 46 1.620 -0.894 4.959 1.00 0.00 C ATOM 667 O THR A 46 2.473 -0.299 4.308 1.00 0.00 O ATOM 668 CB THR A 46 1.435 -3.442 5.058 1.00 0.00 C ATOM 669 OG1 THR A 46 1.612 -4.544 5.933 1.00 0.00 O ATOM 670 CG2 THR A 46 2.054 -3.827 3.716 1.00 0.00 C ATOM 0 H THR A 46 0.828 -2.786 7.297 1.00 0.00 H new ATOM 0 HA THR A 46 3.104 -2.239 5.664 1.00 0.00 H new ATOM 0 HB THR A 46 0.387 -3.206 4.874 1.00 0.00 H new ATOM 0 HG1 THR A 46 1.545 -5.379 5.425 1.00 0.00 H new ATOM 0 HG21 THR A 46 1.577 -4.733 3.342 1.00 0.00 H new ATOM 0 HG22 THR A 46 1.906 -3.017 3.001 1.00 0.00 H new ATOM 0 HG23 THR A 46 3.121 -4.006 3.846 1.00 0.00 H new ATOM 678 N LEU A 47 0.354 -0.461 5.024 1.00 0.00 N ATOM 679 CA LEU A 47 -0.135 0.751 4.381 1.00 0.00 C ATOM 680 C LEU A 47 0.731 1.925 4.801 1.00 0.00 C ATOM 681 O LEU A 47 1.230 2.615 3.922 1.00 0.00 O ATOM 682 CB LEU A 47 -1.613 1.017 4.718 1.00 0.00 C ATOM 683 CG LEU A 47 -2.173 2.243 3.966 1.00 0.00 C ATOM 684 CD1 LEU A 47 -2.389 1.936 2.491 1.00 0.00 C ATOM 685 CD2 LEU A 47 -3.576 2.588 4.459 1.00 0.00 C ATOM 0 H LEU A 47 -0.371 -0.961 5.539 1.00 0.00 H new ATOM 0 HA LEU A 47 -0.073 0.620 3.301 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.205 0.137 4.466 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.716 1.174 5.792 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.449 3.041 4.131 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -2.784 2.820 1.990 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.440 1.654 2.035 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -3.098 1.114 2.390 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -3.950 3.455 3.915 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.240 1.740 4.291 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -3.542 2.816 5.524 1.00 0.00 H new ATOM 697 N GLU A 48 0.936 2.105 6.109 1.00 0.00 N ATOM 698 CA GLU A 48 1.754 3.157 6.688 1.00 0.00 C ATOM 699 C GLU A 48 3.094 3.164 5.954 1.00 0.00 C ATOM 700 O GLU A 48 3.390 4.116 5.236 1.00 0.00 O ATOM 701 CB GLU A 48 1.934 2.979 8.215 1.00 0.00 C ATOM 702 CG GLU A 48 1.411 4.161 9.057 1.00 0.00 C ATOM 703 CD GLU A 48 2.385 4.711 10.090 1.00 0.00 C ATOM 704 OE1 GLU A 48 3.268 3.985 10.601 1.00 0.00 O ATOM 705 OE2 GLU A 48 2.339 5.940 10.328 1.00 0.00 O ATOM 0 H GLU A 48 0.519 1.496 6.813 1.00 0.00 H new ATOM 0 HA GLU A 48 1.258 4.119 6.564 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.419 2.070 8.526 1.00 0.00 H new ATOM 0 HB3 GLU A 48 2.993 2.835 8.430 1.00 0.00 H new ATOM 0 HG2 GLU A 48 1.130 4.969 8.382 1.00 0.00 H new ATOM 0 HG3 GLU A 48 0.503 3.845 9.571 1.00 0.00 H new ATOM 712 N TYR A 49 3.859 2.071 6.060 1.00 0.00 N ATOM 713 CA TYR A 49 5.169 1.922 5.430 1.00 0.00 C ATOM 714 C TYR A 49 5.123 2.319 3.958 1.00 0.00 C ATOM 715 O TYR A 49 5.927 3.135 3.516 1.00 0.00 O ATOM 716 CB TYR A 49 5.640 0.463 5.565 1.00 0.00 C ATOM 717 CG TYR A 49 6.786 0.061 4.649 1.00 0.00 C ATOM 718 CD1 TYR A 49 8.127 0.354 4.959 1.00 0.00 C ATOM 719 CD2 TYR A 49 6.486 -0.600 3.447 1.00 0.00 C ATOM 720 CE1 TYR A 49 9.158 -0.033 4.084 1.00 0.00 C ATOM 721 CE2 TYR A 49 7.502 -1.000 2.563 1.00 0.00 C ATOM 722 CZ TYR A 49 8.848 -0.735 2.897 1.00 0.00 C ATOM 723 OH TYR A 49 9.839 -1.155 2.066 1.00 0.00 O ATOM 0 H TYR A 49 3.576 1.251 6.597 1.00 0.00 H new ATOM 0 HA TYR A 49 5.871 2.585 5.935 1.00 0.00 H new ATOM 0 HB2 TYR A 49 5.945 0.291 6.597 1.00 0.00 H new ATOM 0 HB3 TYR A 49 4.793 -0.194 5.369 1.00 0.00 H new ATOM 0 HD1 TYR A 49 8.366 0.878 5.873 1.00 0.00 H new ATOM 0 HD2 TYR A 49 5.455 -0.805 3.198 1.00 0.00 H new ATOM 0 HE1 TYR A 49 10.185 0.206 4.319 1.00 0.00 H new ATOM 0 HE2 TYR A 49 7.257 -1.504 1.640 1.00 0.00 H new ATOM 0 HH TYR A 49 10.011 -0.468 1.389 1.00 0.00 H new ATOM 733 N LYS A 50 4.193 1.740 3.203 1.00 0.00 N ATOM 734 CA LYS A 50 4.103 1.843 1.762 1.00 0.00 C ATOM 735 C LYS A 50 3.771 3.277 1.328 1.00 0.00 C ATOM 736 O LYS A 50 4.349 3.743 0.345 1.00 0.00 O ATOM 737 CB LYS A 50 3.035 0.827 1.324 1.00 0.00 C ATOM 738 CG LYS A 50 3.445 -0.650 1.311 1.00 0.00 C ATOM 739 CD LYS A 50 4.596 -0.992 0.358 1.00 0.00 C ATOM 740 CE LYS A 50 4.529 -2.459 -0.094 1.00 0.00 C ATOM 741 NZ LYS A 50 5.229 -2.687 -1.377 1.00 0.00 N ATOM 0 H LYS A 50 3.453 1.163 3.603 1.00 0.00 H new ATOM 0 HA LYS A 50 5.055 1.616 1.282 1.00 0.00 H new ATOM 0 HB2 LYS A 50 2.174 0.934 1.984 1.00 0.00 H new ATOM 0 HB3 LYS A 50 2.703 1.095 0.321 1.00 0.00 H new ATOM 0 HG2 LYS A 50 3.731 -0.942 2.322 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.577 -1.251 1.039 1.00 0.00 H new ATOM 0 HD2 LYS A 50 4.556 -0.338 -0.513 1.00 0.00 H new ATOM 0 HD3 LYS A 50 5.549 -0.805 0.853 1.00 0.00 H new ATOM 0 HE2 LYS A 50 4.970 -3.094 0.675 1.00 0.00 H new ATOM 0 HE3 LYS A 50 3.486 -2.758 -0.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 5.155 -3.691 -1.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 4.793 -2.103 -2.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 6.231 -2.428 -1.276 1.00 0.00 H new ATOM 755 N VAL A 51 2.917 4.002 2.055 1.00 0.00 N ATOM 756 CA VAL A 51 2.730 5.442 1.900 1.00 0.00 C ATOM 757 C VAL A 51 4.061 6.145 2.194 1.00 0.00 C ATOM 758 O VAL A 51 4.546 6.924 1.379 1.00 0.00 O ATOM 759 CB VAL A 51 1.631 5.939 2.863 1.00 0.00 C ATOM 760 CG1 VAL A 51 1.468 7.459 2.834 1.00 0.00 C ATOM 761 CG2 VAL A 51 0.226 5.385 2.630 1.00 0.00 C ATOM 0 H VAL A 51 2.327 3.595 2.780 1.00 0.00 H new ATOM 0 HA VAL A 51 2.416 5.669 0.881 1.00 0.00 H new ATOM 0 HB VAL A 51 2.007 5.568 3.816 1.00 0.00 H new ATOM 0 HG11 VAL A 51 0.682 7.754 3.530 1.00 0.00 H new ATOM 0 HG12 VAL A 51 2.406 7.931 3.125 1.00 0.00 H new ATOM 0 HG13 VAL A 51 1.199 7.777 1.827 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -0.458 5.806 3.367 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -0.110 5.654 1.628 1.00 0.00 H new ATOM 0 HG23 VAL A 51 0.242 4.300 2.728 1.00 0.00 H new ATOM 771 N LYS A 52 4.642 5.880 3.366 1.00 0.00 N ATOM 772 CA LYS A 52 5.780 6.584 3.973 1.00 0.00 C ATOM 773 C LYS A 52 7.094 6.359 3.237 1.00 0.00 C ATOM 774 O LYS A 52 8.072 7.043 3.530 1.00 0.00 O ATOM 775 CB LYS A 52 5.869 6.136 5.439 1.00 0.00 C ATOM 776 CG LYS A 52 4.666 6.674 6.227 1.00 0.00 C ATOM 777 CD LYS A 52 4.363 5.851 7.486 1.00 0.00 C ATOM 778 CE LYS A 52 4.914 6.570 8.719 1.00 0.00 C ATOM 779 NZ LYS A 52 5.281 5.678 9.838 1.00 0.00 N ATOM 0 H LYS A 52 4.310 5.118 3.957 1.00 0.00 H new ATOM 0 HA LYS A 52 5.609 7.658 3.905 1.00 0.00 H new ATOM 0 HB2 LYS A 52 5.893 5.048 5.494 1.00 0.00 H new ATOM 0 HB3 LYS A 52 6.796 6.498 5.883 1.00 0.00 H new ATOM 0 HG2 LYS A 52 4.858 7.708 6.512 1.00 0.00 H new ATOM 0 HG3 LYS A 52 3.788 6.679 5.582 1.00 0.00 H new ATOM 0 HD2 LYS A 52 3.287 5.707 7.588 1.00 0.00 H new ATOM 0 HD3 LYS A 52 4.810 4.861 7.401 1.00 0.00 H new ATOM 0 HE2 LYS A 52 5.793 7.144 8.426 1.00 0.00 H new ATOM 0 HE3 LYS A 52 4.169 7.284 9.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 5.026 6.129 10.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 4.770 4.777 9.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 6.305 5.499 9.818 1.00 0.00 H new ATOM 793 N GLU A 53 7.081 5.426 2.299 1.00 0.00 N ATOM 794 CA GLU A 53 8.024 5.123 1.242 1.00 0.00 C ATOM 795 C GLU A 53 7.711 6.019 0.034 1.00 0.00 C ATOM 796 O GLU A 53 8.525 6.828 -0.423 1.00 0.00 O ATOM 797 CB GLU A 53 7.785 3.645 0.886 1.00 0.00 C ATOM 798 CG GLU A 53 8.444 2.643 1.831 1.00 0.00 C ATOM 799 CD GLU A 53 9.810 2.157 1.361 1.00 0.00 C ATOM 800 OE1 GLU A 53 9.825 1.295 0.454 1.00 0.00 O ATOM 801 OE2 GLU A 53 10.859 2.569 1.915 1.00 0.00 O ATOM 0 H GLU A 53 6.297 4.775 2.260 1.00 0.00 H new ATOM 0 HA GLU A 53 9.059 5.295 1.537 1.00 0.00 H new ATOM 0 HB2 GLU A 53 6.711 3.458 0.873 1.00 0.00 H new ATOM 0 HB3 GLU A 53 8.152 3.465 -0.124 1.00 0.00 H new ATOM 0 HG2 GLU A 53 8.551 3.102 2.814 1.00 0.00 H new ATOM 0 HG3 GLU A 53 7.785 1.783 1.950 1.00 0.00 H new ATOM 808 N ARG A 54 6.503 5.882 -0.522 1.00 0.00 N ATOM 809 CA ARG A 54 6.147 6.567 -1.758 1.00 0.00 C ATOM 810 C ARG A 54 6.142 8.091 -1.615 1.00 0.00 C ATOM 811 O ARG A 54 6.301 8.777 -2.629 1.00 0.00 O ATOM 812 CB ARG A 54 4.804 6.028 -2.283 1.00 0.00 C ATOM 813 CG ARG A 54 4.992 4.759 -3.125 1.00 0.00 C ATOM 814 CD ARG A 54 5.418 5.146 -4.542 1.00 0.00 C ATOM 815 NE ARG A 54 5.757 3.986 -5.376 1.00 0.00 N ATOM 816 CZ ARG A 54 5.062 3.536 -6.426 1.00 0.00 C ATOM 817 NH1 ARG A 54 3.808 3.926 -6.641 1.00 0.00 N ATOM 818 NH2 ARG A 54 5.673 2.701 -7.254 1.00 0.00 N ATOM 0 H ARG A 54 5.759 5.303 -0.132 1.00 0.00 H new ATOM 0 HA ARG A 54 6.921 6.352 -2.494 1.00 0.00 H new ATOM 0 HB2 ARG A 54 4.145 5.812 -1.442 1.00 0.00 H new ATOM 0 HB3 ARG A 54 4.314 6.794 -2.884 1.00 0.00 H new ATOM 0 HG2 ARG A 54 5.746 4.116 -2.670 1.00 0.00 H new ATOM 0 HG3 ARG A 54 4.063 4.189 -3.156 1.00 0.00 H new ATOM 0 HD2 ARG A 54 4.612 5.706 -5.018 1.00 0.00 H new ATOM 0 HD3 ARG A 54 6.279 5.812 -4.488 1.00 0.00 H new ATOM 0 HE ARG A 54 6.604 3.474 -5.131 1.00 0.00 H new ATOM 0 HH11 ARG A 54 3.360 4.580 -5.999 1.00 0.00 H new ATOM 0 HH12 ARG A 54 3.295 3.571 -7.448 1.00 0.00 H new ATOM 0 HH21 ARG A 54 6.639 2.424 -7.078 1.00 0.00 H new ATOM 0 HH22 ARG A 54 5.177 2.335 -8.067 1.00 0.00 H new ATOM 832 N LEU A 55 6.030 8.622 -0.394 1.00 0.00 N ATOM 833 CA LEU A 55 6.022 10.045 -0.058 1.00 0.00 C ATOM 834 C LEU A 55 7.300 10.795 -0.465 1.00 0.00 C ATOM 835 O LEU A 55 7.312 12.023 -0.367 1.00 0.00 O ATOM 836 CB LEU A 55 5.725 10.235 1.448 1.00 0.00 C ATOM 837 CG LEU A 55 4.223 10.237 1.807 1.00 0.00 C ATOM 838 CD1 LEU A 55 4.053 10.253 3.329 1.00 0.00 C ATOM 839 CD2 LEU A 55 3.460 11.440 1.237 1.00 0.00 C ATOM 0 H LEU A 55 5.937 8.033 0.434 1.00 0.00 H new ATOM 0 HA LEU A 55 5.224 10.493 -0.650 1.00 0.00 H new ATOM 0 HB2 LEU A 55 6.218 9.439 2.006 1.00 0.00 H new ATOM 0 HB3 LEU A 55 6.166 11.176 1.777 1.00 0.00 H new ATOM 0 HG LEU A 55 3.808 9.333 1.363 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.991 10.254 3.577 1.00 0.00 H new ATOM 0 HD12 LEU A 55 4.524 9.368 3.757 1.00 0.00 H new ATOM 0 HD13 LEU A 55 4.522 11.148 3.738 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.411 11.377 1.528 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.890 12.362 1.628 1.00 0.00 H new ATOM 0 HD23 LEU A 55 3.536 11.437 0.150 1.00 0.00 H new ATOM 851 N GLY A 56 8.327 10.130 -1.003 1.00 0.00 N ATOM 852 CA GLY A 56 9.527 10.775 -1.549 1.00 0.00 C ATOM 853 C GLY A 56 10.824 10.334 -0.874 1.00 0.00 C ATOM 854 O GLY A 56 11.916 10.739 -1.277 1.00 0.00 O ATOM 0 H GLY A 56 8.349 9.113 -1.073 1.00 0.00 H new ATOM 0 HA2 GLY A 56 9.591 10.559 -2.615 1.00 0.00 H new ATOM 0 HA3 GLY A 56 9.425 11.856 -1.449 1.00 0.00 H new ATOM 858 N THR A 57 10.713 9.485 0.140 1.00 0.00 N ATOM 859 CA THR A 57 11.801 8.917 0.923 1.00 0.00 C ATOM 860 C THR A 57 12.543 7.816 0.155 1.00 0.00 C ATOM 861 O THR A 57 13.739 7.596 0.368 1.00 0.00 O ATOM 862 CB THR A 57 11.153 8.338 2.185 1.00 0.00 C ATOM 863 OG1 THR A 57 9.967 7.669 1.831 1.00 0.00 O ATOM 864 CG2 THR A 57 10.772 9.446 3.166 1.00 0.00 C ATOM 0 H THR A 57 9.802 9.154 0.457 1.00 0.00 H new ATOM 0 HA THR A 57 12.544 9.680 1.156 1.00 0.00 H new ATOM 0 HB THR A 57 11.872 7.664 2.650 1.00 0.00 H new ATOM 0 HG1 THR A 57 9.464 7.444 2.641 1.00 0.00 H new ATOM 0 HG21 THR A 57 10.314 9.006 4.052 1.00 0.00 H new ATOM 0 HG22 THR A 57 11.666 9.999 3.456 1.00 0.00 H new ATOM 0 HG23 THR A 57 10.064 10.125 2.691 1.00 0.00 H new ATOM 872 N LEU A 58 11.844 7.135 -0.755 1.00 0.00 N ATOM 873 CA LEU A 58 12.399 6.138 -1.660 1.00 0.00 C ATOM 874 C LEU A 58 13.534 6.738 -2.475 1.00 0.00 C ATOM 875 O LEU A 58 14.610 6.149 -2.529 1.00 0.00 O ATOM 876 CB LEU A 58 11.305 5.625 -2.603 1.00 0.00 C ATOM 877 CG LEU A 58 10.364 4.618 -1.932 1.00 0.00 C ATOM 878 CD1 LEU A 58 9.083 4.486 -2.759 1.00 0.00 C ATOM 879 CD2 LEU A 58 10.976 3.228 -1.849 1.00 0.00 C ATOM 0 H LEU A 58 10.841 7.270 -0.883 1.00 0.00 H new ATOM 0 HA LEU A 58 12.787 5.308 -1.069 1.00 0.00 H new ATOM 0 HB2 LEU A 58 10.723 6.470 -2.970 1.00 0.00 H new ATOM 0 HB3 LEU A 58 11.770 5.158 -3.471 1.00 0.00 H new ATOM 0 HG LEU A 58 10.169 4.992 -0.927 1.00 0.00 H new ATOM 0 HD11 LEU A 58 8.414 3.770 -2.282 1.00 0.00 H new ATOM 0 HD12 LEU A 58 8.590 5.456 -2.823 1.00 0.00 H new ATOM 0 HD13 LEU A 58 9.331 4.138 -3.762 1.00 0.00 H new ATOM 0 HD21 LEU A 58 10.273 2.549 -1.366 1.00 0.00 H new ATOM 0 HD22 LEU A 58 11.197 2.867 -2.854 1.00 0.00 H new ATOM 0 HD23 LEU A 58 11.897 3.270 -1.268 1.00 0.00 H new ATOM 891 N LYS A 59 13.301 7.898 -3.102 1.00 0.00 N ATOM 892 CA LYS A 59 14.197 8.493 -4.098 1.00 0.00 C ATOM 893 C LYS A 59 14.591 7.454 -5.158 1.00 0.00 C ATOM 894 O LYS A 59 13.820 6.508 -5.367 1.00 0.00 O ATOM 895 CB LYS A 59 15.379 9.156 -3.363 1.00 0.00 C ATOM 896 CG LYS A 59 15.774 10.487 -4.011 1.00 0.00 C ATOM 897 CD LYS A 59 17.048 11.030 -3.357 1.00 0.00 C ATOM 898 CE LYS A 59 17.475 12.305 -4.087 1.00 0.00 C ATOM 899 NZ LYS A 59 18.809 12.766 -3.665 1.00 0.00 N ATOM 0 H LYS A 59 12.467 8.459 -2.927 1.00 0.00 H new ATOM 0 HA LYS A 59 13.699 9.282 -4.661 1.00 0.00 H new ATOM 0 HB2 LYS A 59 15.111 9.324 -2.320 1.00 0.00 H new ATOM 0 HB3 LYS A 59 16.235 8.481 -3.367 1.00 0.00 H new ATOM 0 HG2 LYS A 59 15.935 10.347 -5.080 1.00 0.00 H new ATOM 0 HG3 LYS A 59 14.964 11.208 -3.903 1.00 0.00 H new ATOM 0 HD2 LYS A 59 16.870 11.241 -2.303 1.00 0.00 H new ATOM 0 HD3 LYS A 59 17.842 10.285 -3.403 1.00 0.00 H new ATOM 0 HE2 LYS A 59 17.478 12.123 -5.162 1.00 0.00 H new ATOM 0 HE3 LYS A 59 16.744 13.092 -3.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 19.058 13.632 -4.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 18.801 12.965 -2.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 19.512 12.027 -3.868 1.00 0.00 H new ATOM 913 N ASN A 60 15.712 7.680 -5.862 1.00 0.00 N ATOM 914 CA ASN A 60 16.337 6.852 -6.904 1.00 0.00 C ATOM 915 C ASN A 60 15.400 5.772 -7.477 1.00 0.00 C ATOM 916 O ASN A 60 15.596 4.586 -7.207 1.00 0.00 O ATOM 917 CB ASN A 60 17.641 6.244 -6.359 1.00 0.00 C ATOM 918 CG ASN A 60 18.348 5.381 -7.400 1.00 0.00 C ATOM 919 OD1 ASN A 60 18.247 5.609 -8.606 1.00 0.00 O ATOM 920 ND2 ASN A 60 19.048 4.351 -6.964 1.00 0.00 N ATOM 0 H ASN A 60 16.255 8.528 -5.700 1.00 0.00 H new ATOM 0 HA ASN A 60 16.564 7.503 -7.748 1.00 0.00 H new ATOM 0 HB2 ASN A 60 18.308 7.044 -6.038 1.00 0.00 H new ATOM 0 HB3 ASN A 60 17.420 5.641 -5.478 1.00 0.00 H new ATOM 0 HD21 ASN A 60 19.513 3.733 -7.628 1.00 0.00 H new ATOM 0 HD22 ASN A 60 19.124 4.173 -5.962 1.00 0.00 H new ATOM 927 N PRO A 61 14.347 6.150 -8.223 1.00 0.00 N ATOM 928 CA PRO A 61 13.295 5.225 -8.628 1.00 0.00 C ATOM 929 C PRO A 61 13.856 4.206 -9.632 1.00 0.00 C ATOM 930 O PRO A 61 14.241 4.627 -10.733 1.00 0.00 O ATOM 931 CB PRO A 61 12.182 6.096 -9.226 1.00 0.00 C ATOM 932 CG PRO A 61 12.874 7.411 -9.587 1.00 0.00 C ATOM 933 CD PRO A 61 14.017 7.516 -8.592 1.00 0.00 C ATOM 0 HA PRO A 61 12.902 4.640 -7.796 1.00 0.00 H new ATOM 0 HB2 PRO A 61 11.740 5.626 -10.105 1.00 0.00 H new ATOM 0 HB3 PRO A 61 11.376 6.256 -8.510 1.00 0.00 H new ATOM 0 HG2 PRO A 61 13.240 7.400 -10.614 1.00 0.00 H new ATOM 0 HG3 PRO A 61 12.192 8.257 -9.501 1.00 0.00 H new ATOM 0 HD2 PRO A 61 14.876 8.020 -9.035 1.00 0.00 H new ATOM 0 HD3 PRO A 61 13.723 8.097 -7.718 1.00 0.00 H new ATOM 941 N PRO A 62 13.932 2.901 -9.314 1.00 0.00 N ATOM 942 CA PRO A 62 14.491 1.903 -10.220 1.00 0.00 C ATOM 943 C PRO A 62 13.595 1.712 -11.449 1.00 0.00 C ATOM 944 O PRO A 62 12.406 2.053 -11.431 1.00 0.00 O ATOM 945 CB PRO A 62 14.604 0.618 -9.392 1.00 0.00 C ATOM 946 CG PRO A 62 13.512 0.771 -8.339 1.00 0.00 C ATOM 947 CD PRO A 62 13.494 2.272 -8.075 1.00 0.00 C ATOM 0 HA PRO A 62 15.462 2.206 -10.610 1.00 0.00 H new ATOM 0 HB2 PRO A 62 14.447 -0.269 -10.006 1.00 0.00 H new ATOM 0 HB3 PRO A 62 15.589 0.520 -8.936 1.00 0.00 H new ATOM 0 HG2 PRO A 62 12.548 0.414 -8.703 1.00 0.00 H new ATOM 0 HG3 PRO A 62 13.741 0.206 -7.436 1.00 0.00 H new ATOM 0 HD2 PRO A 62 12.495 2.608 -7.799 1.00 0.00 H new ATOM 0 HD3 PRO A 62 14.157 2.531 -7.250 1.00 0.00 H new ATOM 955 N LYS A 63 14.129 1.123 -12.524 1.00 0.00 N ATOM 956 CA LYS A 63 13.402 0.855 -13.768 1.00 0.00 C ATOM 957 C LYS A 63 13.364 -0.642 -14.030 1.00 0.00 C ATOM 958 O LYS A 63 14.272 -1.210 -14.639 1.00 0.00 O ATOM 959 CB LYS A 63 13.919 1.715 -14.936 1.00 0.00 C ATOM 960 CG LYS A 63 15.406 1.576 -15.322 1.00 0.00 C ATOM 961 CD LYS A 63 15.654 0.883 -16.670 1.00 0.00 C ATOM 962 CE LYS A 63 15.039 1.620 -17.868 1.00 0.00 C ATOM 963 NZ LYS A 63 15.307 0.906 -19.133 1.00 0.00 N ATOM 0 H LYS A 63 15.100 0.813 -12.553 1.00 0.00 H new ATOM 0 HA LYS A 63 12.363 1.168 -13.662 1.00 0.00 H new ATOM 0 HB2 LYS A 63 13.320 1.481 -15.816 1.00 0.00 H new ATOM 0 HB3 LYS A 63 13.732 2.761 -14.692 1.00 0.00 H new ATOM 0 HG2 LYS A 63 15.855 2.569 -15.351 1.00 0.00 H new ATOM 0 HG3 LYS A 63 15.920 1.016 -14.541 1.00 0.00 H new ATOM 0 HD2 LYS A 63 16.728 0.788 -16.827 1.00 0.00 H new ATOM 0 HD3 LYS A 63 15.247 -0.127 -16.629 1.00 0.00 H new ATOM 0 HE2 LYS A 63 13.963 1.718 -17.724 1.00 0.00 H new ATOM 0 HE3 LYS A 63 15.446 2.630 -17.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 14.879 1.428 -19.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 16.334 0.835 -19.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 14.897 -0.049 -19.086 1.00 0.00 H new ATOM 977 N LYS A 64 12.325 -1.297 -13.514 1.00 0.00 N ATOM 978 CA LYS A 64 12.110 -2.723 -13.675 1.00 0.00 C ATOM 979 C LYS A 64 10.648 -3.016 -13.339 1.00 0.00 C ATOM 980 O LYS A 64 10.321 -3.400 -12.217 1.00 0.00 O ATOM 981 CB LYS A 64 13.108 -3.483 -12.776 1.00 0.00 C ATOM 982 CG LYS A 64 13.718 -4.708 -13.451 1.00 0.00 C ATOM 983 CD LYS A 64 12.712 -5.841 -13.661 1.00 0.00 C ATOM 984 CE LYS A 64 13.427 -7.091 -14.175 1.00 0.00 C ATOM 985 NZ LYS A 64 14.297 -7.720 -13.157 1.00 0.00 N ATOM 0 H LYS A 64 11.599 -0.838 -12.963 1.00 0.00 H new ATOM 0 HA LYS A 64 12.291 -3.057 -14.697 1.00 0.00 H new ATOM 0 HB2 LYS A 64 13.908 -2.805 -12.479 1.00 0.00 H new ATOM 0 HB3 LYS A 64 12.600 -3.795 -11.864 1.00 0.00 H new ATOM 0 HG2 LYS A 64 14.133 -4.415 -14.416 1.00 0.00 H new ATOM 0 HG3 LYS A 64 14.547 -5.074 -12.845 1.00 0.00 H new ATOM 0 HD2 LYS A 64 12.203 -6.064 -12.723 1.00 0.00 H new ATOM 0 HD3 LYS A 64 11.947 -5.531 -14.373 1.00 0.00 H new ATOM 0 HE2 LYS A 64 12.685 -7.816 -14.508 1.00 0.00 H new ATOM 0 HE3 LYS A 64 14.028 -6.827 -15.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 14.565 -8.675 -13.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 15.154 -7.144 -13.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 13.785 -7.784 -12.254 1.00 0.00 H new ATOM 999 N LYS A 65 9.737 -2.803 -14.294 1.00 0.00 N ATOM 1000 CA LYS A 65 8.342 -3.194 -14.082 1.00 0.00 C ATOM 1001 C LYS A 65 8.263 -4.694 -13.796 1.00 0.00 C ATOM 1002 O LYS A 65 9.095 -5.464 -14.285 1.00 0.00 O ATOM 1003 CB LYS A 65 7.466 -2.837 -15.294 1.00 0.00 C ATOM 1004 CG LYS A 65 6.882 -1.427 -15.183 1.00 0.00 C ATOM 1005 CD LYS A 65 6.075 -0.980 -16.415 1.00 0.00 C ATOM 1006 CE LYS A 65 4.944 -1.917 -16.864 1.00 0.00 C ATOM 1007 NZ LYS A 65 5.386 -2.990 -17.781 1.00 0.00 N ATOM 0 H LYS A 65 9.933 -2.374 -15.198 1.00 0.00 H new ATOM 0 HA LYS A 65 7.961 -2.640 -13.224 1.00 0.00 H new ATOM 0 HB2 LYS A 65 8.059 -2.913 -16.205 1.00 0.00 H new ATOM 0 HB3 LYS A 65 6.655 -3.560 -15.381 1.00 0.00 H new ATOM 0 HG2 LYS A 65 6.238 -1.380 -14.305 1.00 0.00 H new ATOM 0 HG3 LYS A 65 7.696 -0.721 -15.020 1.00 0.00 H new ATOM 0 HD2 LYS A 65 5.645 -0.001 -16.205 1.00 0.00 H new ATOM 0 HD3 LYS A 65 6.766 -0.853 -17.249 1.00 0.00 H new ATOM 0 HE2 LYS A 65 4.489 -2.369 -15.983 1.00 0.00 H new ATOM 0 HE3 LYS A 65 4.170 -1.328 -17.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 4.635 -3.186 -18.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 6.247 -2.688 -18.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 5.587 -3.852 -17.235 1.00 0.00 H new ATOM 1021 N MET A 66 7.220 -5.091 -13.071 1.00 0.00 N ATOM 1022 CA MET A 66 6.814 -6.474 -12.838 1.00 0.00 C ATOM 1023 C MET A 66 5.640 -6.825 -13.760 1.00 0.00 C ATOM 1024 O MET A 66 5.061 -5.934 -14.400 1.00 0.00 O ATOM 1025 CB MET A 66 6.403 -6.638 -11.358 1.00 0.00 C ATOM 1026 CG MET A 66 5.236 -5.723 -10.941 1.00 0.00 C ATOM 1027 SD MET A 66 4.542 -6.028 -9.293 1.00 0.00 S ATOM 1028 CE MET A 66 3.562 -7.516 -9.618 1.00 0.00 C ATOM 0 H MET A 66 6.604 -4.423 -12.607 1.00 0.00 H new ATOM 0 HA MET A 66 7.643 -7.148 -13.055 1.00 0.00 H new ATOM 0 HB2 MET A 66 6.122 -7.676 -11.180 1.00 0.00 H new ATOM 0 HB3 MET A 66 7.264 -6.427 -10.724 1.00 0.00 H new ATOM 0 HG2 MET A 66 5.577 -4.689 -10.985 1.00 0.00 H new ATOM 0 HG3 MET A 66 4.437 -5.827 -11.676 1.00 0.00 H new ATOM 0 HE1 MET A 66 3.083 -7.844 -8.696 1.00 0.00 H new ATOM 0 HE2 MET A 66 2.799 -7.294 -10.364 1.00 0.00 H new ATOM 0 HE3 MET A 66 4.214 -8.307 -9.990 1.00 0.00 H new ATOM 1038 N LYS A 67 5.218 -8.092 -13.760 1.00 0.00 N ATOM 1039 CA LYS A 67 3.858 -8.474 -14.128 1.00 0.00 C ATOM 1040 C LYS A 67 3.245 -9.221 -12.948 1.00 0.00 C ATOM 1041 O LYS A 67 2.253 -8.734 -12.415 1.00 0.00 O ATOM 1042 CB LYS A 67 3.827 -9.212 -15.480 1.00 0.00 C ATOM 1043 CG LYS A 67 2.427 -9.229 -16.125 1.00 0.00 C ATOM 1044 CD LYS A 67 1.513 -10.399 -15.730 1.00 0.00 C ATOM 1045 CE LYS A 67 2.015 -11.705 -16.360 1.00 0.00 C ATOM 1046 NZ LYS A 67 0.999 -12.775 -16.316 1.00 0.00 N ATOM 0 H LYS A 67 5.812 -8.880 -13.504 1.00 0.00 H new ATOM 0 HA LYS A 67 3.230 -7.602 -14.311 1.00 0.00 H new ATOM 0 HB2 LYS A 67 4.530 -8.736 -16.164 1.00 0.00 H new ATOM 0 HB3 LYS A 67 4.167 -10.238 -15.336 1.00 0.00 H new ATOM 0 HG2 LYS A 67 1.921 -8.298 -15.870 1.00 0.00 H new ATOM 0 HG3 LYS A 67 2.549 -9.240 -17.208 1.00 0.00 H new ATOM 0 HD2 LYS A 67 1.486 -10.498 -14.645 1.00 0.00 H new ATOM 0 HD3 LYS A 67 0.493 -10.198 -16.057 1.00 0.00 H new ATOM 0 HE2 LYS A 67 2.300 -11.520 -17.396 1.00 0.00 H new ATOM 0 HE3 LYS A 67 2.912 -12.037 -15.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 1.384 -13.637 -16.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 0.745 -12.972 -15.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 0.152 -12.471 -16.837 1.00 0.00 H new ATOM 1060 N LEU A 68 3.845 -10.324 -12.491 1.00 0.00 N ATOM 1061 CA LEU A 68 3.458 -11.039 -11.273 1.00 0.00 C ATOM 1062 C LEU A 68 4.616 -11.945 -10.837 1.00 0.00 C ATOM 1063 O LEU A 68 5.097 -12.740 -11.651 1.00 0.00 O ATOM 1064 CB LEU A 68 2.194 -11.886 -11.535 1.00 0.00 C ATOM 1065 CG LEU A 68 1.517 -12.353 -10.232 1.00 0.00 C ATOM 1066 CD1 LEU A 68 0.761 -11.204 -9.551 1.00 0.00 C ATOM 1067 CD2 LEU A 68 0.542 -13.492 -10.537 1.00 0.00 C ATOM 0 H LEU A 68 4.635 -10.755 -12.972 1.00 0.00 H new ATOM 0 HA LEU A 68 3.237 -10.322 -10.483 1.00 0.00 H new ATOM 0 HB2 LEU A 68 1.484 -11.302 -12.121 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.461 -12.756 -12.134 1.00 0.00 H new ATOM 0 HG LEU A 68 2.296 -12.700 -9.553 1.00 0.00 H new ATOM 0 HD11 LEU A 68 0.295 -11.567 -8.635 1.00 0.00 H new ATOM 0 HD12 LEU A 68 1.459 -10.402 -9.310 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -0.008 -10.825 -10.224 1.00 0.00 H new ATOM 0 HD21 LEU A 68 0.065 -13.820 -9.613 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -0.219 -13.142 -11.234 1.00 0.00 H new ATOM 0 HD23 LEU A 68 1.085 -14.326 -10.981 1.00 0.00 H new ATOM 1079 N MET A 69 5.072 -11.855 -9.585 1.00 0.00 N ATOM 1080 CA MET A 69 6.000 -12.832 -9.000 1.00 0.00 C ATOM 1081 C MET A 69 5.293 -14.191 -8.935 1.00 0.00 C ATOM 1082 O MET A 69 4.087 -14.223 -8.689 1.00 0.00 O ATOM 1083 CB MET A 69 6.391 -12.359 -7.594 1.00 0.00 C ATOM 1084 CG MET A 69 7.412 -13.252 -6.879 1.00 0.00 C ATOM 1085 SD MET A 69 7.446 -13.005 -5.083 1.00 0.00 S ATOM 1086 CE MET A 69 5.876 -13.804 -4.645 1.00 0.00 C ATOM 0 H MET A 69 4.810 -11.104 -8.947 1.00 0.00 H new ATOM 0 HA MET A 69 6.903 -12.926 -9.604 1.00 0.00 H new ATOM 0 HB2 MET A 69 6.797 -11.350 -7.665 1.00 0.00 H new ATOM 0 HB3 MET A 69 5.491 -12.298 -6.982 1.00 0.00 H new ATOM 0 HG2 MET A 69 7.183 -14.296 -7.091 1.00 0.00 H new ATOM 0 HG3 MET A 69 8.404 -13.055 -7.285 1.00 0.00 H new ATOM 0 HE1 MET A 69 5.235 -13.089 -4.129 1.00 0.00 H new ATOM 0 HE2 MET A 69 5.378 -14.149 -5.551 1.00 0.00 H new ATOM 0 HE3 MET A 69 6.070 -14.654 -3.991 1.00 0.00 H new ATOM 1096 N ARG A 70 6.009 -15.298 -9.148 1.00 0.00 N ATOM 1097 CA ARG A 70 5.445 -16.629 -8.936 1.00 0.00 C ATOM 1098 C ARG A 70 5.202 -16.877 -7.458 1.00 0.00 C ATOM 1099 O ARG A 70 4.097 -17.350 -7.129 1.00 0.00 O ATOM 1100 CB ARG A 70 6.310 -17.731 -9.564 1.00 0.00 C ATOM 1101 CG ARG A 70 7.801 -17.752 -9.179 1.00 0.00 C ATOM 1102 CD ARG A 70 8.204 -19.008 -8.401 1.00 0.00 C ATOM 1103 NE ARG A 70 7.687 -18.983 -7.025 1.00 0.00 N ATOM 1104 CZ ARG A 70 7.715 -19.998 -6.159 1.00 0.00 C ATOM 1105 NH1 ARG A 70 8.132 -21.204 -6.532 1.00 0.00 N ATOM 1106 NH2 ARG A 70 7.349 -19.818 -4.900 1.00 0.00 N ATOM 0 H ARG A 70 6.978 -15.297 -9.466 1.00 0.00 H new ATOM 0 HA ARG A 70 4.483 -16.665 -9.447 1.00 0.00 H new ATOM 0 HB2 ARG A 70 5.877 -18.695 -9.297 1.00 0.00 H new ATOM 0 HB3 ARG A 70 6.241 -17.640 -10.648 1.00 0.00 H new ATOM 0 HG2 ARG A 70 8.405 -17.683 -10.084 1.00 0.00 H new ATOM 0 HG3 ARG A 70 8.027 -16.871 -8.578 1.00 0.00 H new ATOM 0 HD2 ARG A 70 7.827 -19.892 -8.916 1.00 0.00 H new ATOM 0 HD3 ARG A 70 9.291 -19.091 -8.380 1.00 0.00 H new ATOM 0 HE ARG A 70 7.269 -18.110 -6.703 1.00 0.00 H new ATOM 0 HH11 ARG A 70 8.437 -21.364 -7.492 1.00 0.00 H new ATOM 0 HH12 ARG A 70 8.147 -21.969 -5.858 1.00 0.00 H new ATOM 0 HH21 ARG A 70 7.042 -18.898 -4.585 1.00 0.00 H new ATOM 0 HH22 ARG A 70 7.374 -20.600 -4.245 1.00 0.00 H new TER 1120 ARG A 70