USER MOD reduce.3.24.130724 H: found=0, std=0, add=794, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 790 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 78 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.0557) USER MOD Set 1.2: A 83 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 19 LYS NZ :NH3+ 169:sc= 0.543 (180deg=0) USER MOD Set 2.2: A 25 HIS : no HE2:sc= -8.66! C(o=-8.1!,f=-20!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 159:sc= 0.448 (180deg=0.266) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 ASN : amide:sc= -0.643 K(o=-0.64,f=-1.2) USER MOD Single : A 7 GLN :FLIP amide:sc= -2.98! C(o=-4.3!,f=-3!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 129:sc= 1.5 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 CYS SG : rot 25:sc= 0.27 USER MOD Single : A 20 MET CE :methyl -154:sc= 0 (180deg=-0.0533) USER MOD Single : A 21 LYS NZ :NH3+ 154:sc= -0.0444 (180deg=-0.329) USER MOD Single : A 23 TYR OH : rot -157:sc= -4.38! USER MOD Single : A 33 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 78:sc= 0.264 USER MOD Single : A 41 THR OG1 : rot 180:sc= -2.34 USER MOD Single : A 43 ASN :FLIP amide:sc= -3.95! C(o=-5.1!,f=-4!) USER MOD Single : A 44 LYS NZ :NH3+ -153:sc= -0.98 (180deg=-1.44) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -0.521 K(o=-0.52,f=-1.3) USER MOD Single : A 52 THR OG1 : rot 180:sc= -1.31 USER MOD Single : A 53 HIS : no HD1:sc= -0.134 X(o=-0.13,f=-0.3) USER MOD Single : A 55 THR OG1 : rot -134:sc= -0.869! USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= -0.71 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ -174:sc= 0.00115 (180deg=0) USER MOD Single : A 77 ASN :FLIP amide:sc= -0.618 F(o=-5.4!,f=-0.62) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN :FLIP amide:sc= -7.16! C(o=-11!,f=-7.2!) USER MOD Single : A 92 ASN :FLIP amide:sc= -3.45! C(o=-5.8!,f=-3.4!) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 15.970 14.181 7.675 1.00 0.00 N ATOM 2 CA MET A 1 14.586 14.619 7.744 1.00 0.00 C ATOM 3 C MET A 1 13.662 13.627 7.032 1.00 0.00 C ATOM 4 O MET A 1 13.960 13.182 5.925 1.00 0.00 O ATOM 5 CB MET A 1 14.452 15.997 7.094 1.00 0.00 C ATOM 6 CG MET A 1 14.680 17.110 8.119 1.00 0.00 C ATOM 7 SD MET A 1 16.430 17.391 8.336 1.00 0.00 S ATOM 8 CE MET A 1 16.422 19.146 8.667 1.00 0.00 C ATOM 0 H1 MET A 1 16.600 14.994 7.830 1.00 0.00 H new ATOM 0 H2 MET A 1 16.144 13.463 8.407 1.00 0.00 H new ATOM 0 H3 MET A 1 16.158 13.772 6.738 1.00 0.00 H new ATOM 0 HA MET A 1 14.294 14.673 8.793 1.00 0.00 H new ATOM 0 HB2 MET A 1 15.173 16.092 6.282 1.00 0.00 H new ATOM 0 HB3 MET A 1 13.460 16.101 6.654 1.00 0.00 H new ATOM 0 HG2 MET A 1 14.195 18.027 7.786 1.00 0.00 H new ATOM 0 HG3 MET A 1 14.226 16.837 9.072 1.00 0.00 H new ATOM 0 HE1 MET A 1 17.444 19.491 8.828 1.00 0.00 H new ATOM 0 HE2 MET A 1 15.990 19.675 7.817 1.00 0.00 H new ATOM 0 HE3 MET A 1 15.827 19.345 9.558 1.00 0.00 H new ATOM 18 N SER A 2 12.561 13.311 7.696 1.00 0.00 N ATOM 19 CA SER A 2 11.593 12.381 7.142 1.00 0.00 C ATOM 20 C SER A 2 10.174 12.832 7.491 1.00 0.00 C ATOM 21 O SER A 2 9.935 13.352 8.580 1.00 0.00 O ATOM 22 CB SER A 2 11.839 10.960 7.652 1.00 0.00 C ATOM 23 OG SER A 2 12.046 10.927 9.061 1.00 0.00 O ATOM 0 H SER A 2 12.317 13.683 8.614 1.00 0.00 H new ATOM 0 HA SER A 2 11.708 12.374 6.058 1.00 0.00 H new ATOM 0 HB2 SER A 2 10.987 10.330 7.396 1.00 0.00 H new ATOM 0 HB3 SER A 2 12.709 10.539 7.148 1.00 0.00 H new ATOM 0 HG SER A 2 12.198 10.002 9.348 1.00 0.00 H new ATOM 29 N ARG A 3 9.269 12.617 6.548 1.00 0.00 N ATOM 30 CA ARG A 3 7.879 12.995 6.743 1.00 0.00 C ATOM 31 C ARG A 3 7.316 12.320 7.996 1.00 0.00 C ATOM 32 O ARG A 3 7.857 11.318 8.461 1.00 0.00 O ATOM 33 CB ARG A 3 7.027 12.601 5.535 1.00 0.00 C ATOM 34 CG ARG A 3 7.021 11.084 5.337 1.00 0.00 C ATOM 35 CD ARG A 3 7.265 10.721 3.871 1.00 0.00 C ATOM 36 NE ARG A 3 6.142 9.904 3.359 1.00 0.00 N ATOM 37 CZ ARG A 3 6.124 9.327 2.150 1.00 0.00 C ATOM 38 NH1 ARG A 3 7.166 9.473 1.321 1.00 0.00 N ATOM 39 NH2 ARG A 3 5.062 8.604 1.769 1.00 0.00 N ATOM 0 H ARG A 3 9.471 12.186 5.646 1.00 0.00 H new ATOM 0 HA ARG A 3 7.843 14.078 6.862 1.00 0.00 H new ATOM 0 HB2 ARG A 3 6.006 12.957 5.674 1.00 0.00 H new ATOM 0 HB3 ARG A 3 7.414 13.086 4.639 1.00 0.00 H new ATOM 0 HG2 ARG A 3 7.791 10.629 5.961 1.00 0.00 H new ATOM 0 HG3 ARG A 3 6.064 10.675 5.662 1.00 0.00 H new ATOM 0 HD2 ARG A 3 7.367 11.628 3.275 1.00 0.00 H new ATOM 0 HD3 ARG A 3 8.200 10.170 3.775 1.00 0.00 H new ATOM 0 HE ARG A 3 5.332 9.772 3.964 1.00 0.00 H new ATOM 0 HH11 ARG A 3 7.974 10.024 1.610 1.00 0.00 H new ATOM 0 HH12 ARG A 3 7.151 9.033 0.401 1.00 0.00 H new ATOM 0 HH21 ARG A 3 4.268 8.493 2.399 1.00 0.00 H new ATOM 0 HH22 ARG A 3 5.048 8.165 0.849 1.00 0.00 H new ATOM 53 N SER A 4 6.239 12.897 8.506 1.00 0.00 N ATOM 54 CA SER A 4 5.597 12.365 9.696 1.00 0.00 C ATOM 55 C SER A 4 4.318 11.620 9.311 1.00 0.00 C ATOM 56 O SER A 4 3.372 12.222 8.805 1.00 0.00 O ATOM 57 CB SER A 4 5.282 13.478 10.698 1.00 0.00 C ATOM 58 OG SER A 4 6.233 13.528 11.757 1.00 0.00 O ATOM 0 H SER A 4 5.794 13.728 8.117 1.00 0.00 H new ATOM 0 HA SER A 4 6.286 11.669 10.174 1.00 0.00 H new ATOM 0 HB2 SER A 4 5.265 14.437 10.181 1.00 0.00 H new ATOM 0 HB3 SER A 4 4.286 13.321 11.112 1.00 0.00 H new ATOM 0 HG SER A 4 5.998 14.252 12.374 1.00 0.00 H new ATOM 64 N ASN A 5 4.328 10.319 9.567 1.00 0.00 N ATOM 65 CA ASN A 5 3.180 9.486 9.254 1.00 0.00 C ATOM 66 C ASN A 5 2.419 9.170 10.543 1.00 0.00 C ATOM 67 O ASN A 5 2.907 9.439 11.639 1.00 0.00 O ATOM 68 CB ASN A 5 3.617 8.161 8.625 1.00 0.00 C ATOM 69 CG ASN A 5 4.596 7.418 9.536 1.00 0.00 C ATOM 70 OD1 ASN A 5 5.785 7.693 9.569 1.00 0.00 O ATOM 71 ND2 ASN A 5 4.034 6.464 10.272 1.00 0.00 N ATOM 0 H ASN A 5 5.113 9.822 9.988 1.00 0.00 H new ATOM 0 HA ASN A 5 2.550 10.029 8.549 1.00 0.00 H new ATOM 0 HB2 ASN A 5 2.743 7.537 8.439 1.00 0.00 H new ATOM 0 HB3 ASN A 5 4.085 8.350 7.659 1.00 0.00 H new ATOM 0 HD21 ASN A 5 4.604 5.911 10.912 1.00 0.00 H new ATOM 0 HD22 ASN A 5 3.033 6.285 10.196 1.00 0.00 H new ATOM 78 N ARG A 6 1.235 8.601 10.369 1.00 0.00 N ATOM 79 CA ARG A 6 0.401 8.244 11.504 1.00 0.00 C ATOM 80 C ARG A 6 0.967 7.010 12.211 1.00 0.00 C ATOM 81 O ARG A 6 2.013 6.493 11.824 1.00 0.00 O ATOM 82 CB ARG A 6 -1.036 7.958 11.065 1.00 0.00 C ATOM 83 CG ARG A 6 -1.124 6.631 10.309 1.00 0.00 C ATOM 84 CD ARG A 6 -1.366 6.866 8.816 1.00 0.00 C ATOM 85 NE ARG A 6 -0.148 6.529 8.047 1.00 0.00 N ATOM 86 CZ ARG A 6 0.120 7.000 6.820 1.00 0.00 C ATOM 87 NH1 ARG A 6 -0.743 7.828 6.216 1.00 0.00 N ATOM 88 NH2 ARG A 6 1.251 6.640 6.197 1.00 0.00 N ATOM 0 H ARG A 6 0.833 8.378 9.458 1.00 0.00 H new ATOM 0 HA ARG A 6 0.396 9.091 12.191 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -1.688 7.927 11.938 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -1.394 8.768 10.429 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -0.201 6.068 10.447 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -1.932 6.026 10.721 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -2.202 6.256 8.474 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -1.639 7.907 8.643 1.00 0.00 H new ATOM 0 HE ARG A 6 0.530 5.899 8.476 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -1.604 8.101 6.689 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -0.538 8.186 5.283 1.00 0.00 H new ATOM 0 HH21 ARG A 6 1.907 6.008 6.656 1.00 0.00 H new ATOM 0 HH22 ARG A 6 1.455 6.998 5.264 1.00 0.00 H new ATOM 102 N GLN A 7 0.249 6.574 13.236 1.00 0.00 N ATOM 103 CA GLN A 7 0.666 5.411 14.000 1.00 0.00 C ATOM 104 C GLN A 7 -0.270 4.231 13.725 1.00 0.00 C ATOM 105 O GLN A 7 0.181 3.097 13.582 1.00 0.00 O ATOM 106 CB GLN A 7 0.721 5.729 15.496 1.00 0.00 C ATOM 107 CG GLN A 7 -0.508 6.528 15.932 1.00 0.00 C ATOM 108 CD GLN A 7 -0.356 8.007 15.572 1.00 0.00 C ATOM 109 OE1 GLN A 7 -1.392 8.512 14.909 1.00 0.00 O flip ATOM 110 NE2 GLN A 7 0.637 8.649 15.878 1.00 0.00 N flip ATOM 0 H GLN A 7 -0.619 7.005 13.555 1.00 0.00 H new ATOM 0 HA GLN A 7 1.671 5.134 13.683 1.00 0.00 H new ATOM 0 HB2 GLN A 7 0.778 4.802 16.067 1.00 0.00 H new ATOM 0 HB3 GLN A 7 1.625 6.296 15.718 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -1.399 6.123 15.452 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -0.651 6.425 17.008 1.00 0.00 H new ATOM 0 HE21 GLN A 7 1.398 8.200 16.388 1.00 0.00 H new ATOM 0 HE22 GLN A 7 0.706 9.634 15.624 1.00 0.00 H new ATOM 119 N LYS A 8 -1.557 4.542 13.657 1.00 0.00 N ATOM 120 CA LYS A 8 -2.560 3.522 13.402 1.00 0.00 C ATOM 121 C LYS A 8 -3.634 4.091 12.473 1.00 0.00 C ATOM 122 O LYS A 8 -4.099 3.406 11.563 1.00 0.00 O ATOM 123 CB LYS A 8 -3.114 2.973 14.719 1.00 0.00 C ATOM 124 CG LYS A 8 -3.487 4.110 15.673 1.00 0.00 C ATOM 125 CD LYS A 8 -2.472 4.227 16.810 1.00 0.00 C ATOM 126 CE LYS A 8 -2.978 3.526 18.072 1.00 0.00 C ATOM 127 NZ LYS A 8 -1.894 3.417 19.075 1.00 0.00 N ATOM 0 H LYS A 8 -1.927 5.485 13.774 1.00 0.00 H new ATOM 0 HA LYS A 8 -2.114 2.669 12.891 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -3.991 2.358 14.520 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -2.372 2.328 15.189 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -3.533 5.050 15.123 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -4.481 3.933 16.085 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -1.523 3.788 16.502 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -2.282 5.278 17.025 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -3.816 4.082 18.493 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -3.349 2.533 17.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -2.255 2.939 19.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -1.106 2.867 18.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -1.559 4.368 19.329 1.00 0.00 H new ATOM 141 N GLU A 9 -3.996 5.339 12.733 1.00 0.00 N ATOM 142 CA GLU A 9 -5.006 6.009 11.931 1.00 0.00 C ATOM 143 C GLU A 9 -4.580 6.044 10.462 1.00 0.00 C ATOM 144 O GLU A 9 -3.804 6.908 10.058 1.00 0.00 O ATOM 145 CB GLU A 9 -5.278 7.419 12.457 1.00 0.00 C ATOM 146 CG GLU A 9 -3.984 8.227 12.554 1.00 0.00 C ATOM 147 CD GLU A 9 -4.224 9.568 13.250 1.00 0.00 C ATOM 148 OE1 GLU A 9 -5.285 10.169 12.975 1.00 0.00 O ATOM 149 OE2 GLU A 9 -3.342 9.962 14.043 1.00 0.00 O ATOM 0 H GLU A 9 -3.608 5.904 13.488 1.00 0.00 H new ATOM 0 HA GLU A 9 -5.935 5.444 12.006 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -5.980 7.928 11.797 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -5.749 7.360 13.438 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -3.236 7.657 13.104 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -3.583 8.399 11.555 1.00 0.00 H new ATOM 156 N TYR A 10 -5.105 5.093 9.704 1.00 0.00 N ATOM 157 CA TYR A 10 -4.789 5.005 8.289 1.00 0.00 C ATOM 158 C TYR A 10 -6.050 5.154 7.434 1.00 0.00 C ATOM 159 O TYR A 10 -7.013 4.407 7.606 1.00 0.00 O ATOM 160 CB TYR A 10 -4.205 3.607 8.073 1.00 0.00 C ATOM 161 CG TYR A 10 -5.252 2.537 7.757 1.00 0.00 C ATOM 162 CD1 TYR A 10 -6.113 2.102 8.745 1.00 0.00 C ATOM 163 CD2 TYR A 10 -5.333 2.005 6.487 1.00 0.00 C ATOM 164 CE1 TYR A 10 -7.097 1.096 8.447 1.00 0.00 C ATOM 165 CE2 TYR A 10 -6.319 0.997 6.190 1.00 0.00 C ATOM 166 CZ TYR A 10 -7.152 0.592 7.184 1.00 0.00 C ATOM 167 OH TYR A 10 -8.083 -0.359 6.904 1.00 0.00 O ATOM 0 H TYR A 10 -5.747 4.377 10.043 1.00 0.00 H new ATOM 0 HA TYR A 10 -4.098 5.797 8.001 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -3.484 3.648 7.256 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -3.657 3.311 8.967 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -6.048 2.517 9.740 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -4.658 2.344 5.715 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -7.778 0.748 9.210 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -6.394 0.573 5.200 1.00 0.00 H new ATOM 0 HH TYR A 10 -8.582 -0.102 6.100 1.00 0.00 H new ATOM 177 N LYS A 11 -6.004 6.124 6.533 1.00 0.00 N ATOM 178 CA LYS A 11 -7.131 6.381 5.652 1.00 0.00 C ATOM 179 C LYS A 11 -6.614 6.676 4.243 1.00 0.00 C ATOM 180 O LYS A 11 -5.407 6.669 4.007 1.00 0.00 O ATOM 181 CB LYS A 11 -8.016 7.489 6.225 1.00 0.00 C ATOM 182 CG LYS A 11 -9.246 6.901 6.924 1.00 0.00 C ATOM 183 CD LYS A 11 -10.357 7.946 7.049 1.00 0.00 C ATOM 184 CE LYS A 11 -10.881 8.353 5.669 1.00 0.00 C ATOM 185 NZ LYS A 11 -12.291 7.929 5.505 1.00 0.00 N ATOM 0 H LYS A 11 -5.204 6.742 6.394 1.00 0.00 H new ATOM 0 HA LYS A 11 -7.768 5.499 5.581 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -7.443 8.088 6.932 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -8.333 8.157 5.424 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -9.612 6.041 6.362 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -8.968 6.540 7.914 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -11.174 7.544 7.649 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -9.979 8.824 7.572 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -10.803 9.433 5.548 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -10.266 7.900 4.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -12.632 8.212 4.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -12.356 6.895 5.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -12.877 8.381 6.236 1.00 0.00 H new ATOM 199 N CYS A 12 -7.552 6.928 3.343 1.00 0.00 N ATOM 200 CA CYS A 12 -7.207 7.223 1.962 1.00 0.00 C ATOM 201 C CYS A 12 -5.955 8.102 1.959 1.00 0.00 C ATOM 202 O CYS A 12 -5.850 9.043 2.745 1.00 0.00 O ATOM 203 CB CYS A 12 -8.370 7.882 1.218 1.00 0.00 C ATOM 204 SG CYS A 12 -8.793 9.478 2.006 1.00 0.00 S ATOM 0 H CYS A 12 -8.552 6.934 3.543 1.00 0.00 H new ATOM 0 HA CYS A 12 -7.000 6.295 1.428 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -8.100 8.043 0.174 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -9.238 7.222 1.225 1.00 0.00 H new ATOM 0 HG CYS A 12 -7.752 9.943 2.631 1.00 0.00 H new ATOM 210 N GLY A 13 -5.037 7.765 1.066 1.00 0.00 N ATOM 211 CA GLY A 13 -3.796 8.511 0.948 1.00 0.00 C ATOM 212 C GLY A 13 -2.709 7.910 1.842 1.00 0.00 C ATOM 213 O GLY A 13 -1.553 8.331 1.788 1.00 0.00 O ATOM 0 H GLY A 13 -5.128 6.984 0.416 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -3.462 8.507 -0.090 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -3.965 9.552 1.224 1.00 0.00 H new ATOM 217 N ASP A 14 -3.116 6.935 2.641 1.00 0.00 N ATOM 218 CA ASP A 14 -2.191 6.271 3.544 1.00 0.00 C ATOM 219 C ASP A 14 -1.507 5.116 2.809 1.00 0.00 C ATOM 220 O ASP A 14 -2.176 4.284 2.196 1.00 0.00 O ATOM 221 CB ASP A 14 -2.923 5.694 4.756 1.00 0.00 C ATOM 222 CG ASP A 14 -2.118 4.684 5.577 1.00 0.00 C ATOM 223 OD1 ASP A 14 -2.003 3.532 5.104 1.00 0.00 O ATOM 224 OD2 ASP A 14 -1.636 5.087 6.657 1.00 0.00 O ATOM 0 H ASP A 14 -4.074 6.588 2.682 1.00 0.00 H new ATOM 0 HA ASP A 14 -1.462 7.008 3.881 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -3.219 6.516 5.408 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -3.839 5.213 4.413 1.00 0.00 H new ATOM 229 N LEU A 15 -0.186 5.103 2.893 1.00 0.00 N ATOM 230 CA LEU A 15 0.595 4.063 2.243 1.00 0.00 C ATOM 231 C LEU A 15 1.090 3.070 3.297 1.00 0.00 C ATOM 232 O LEU A 15 1.646 3.470 4.320 1.00 0.00 O ATOM 233 CB LEU A 15 1.717 4.680 1.405 1.00 0.00 C ATOM 234 CG LEU A 15 2.643 3.693 0.692 1.00 0.00 C ATOM 235 CD1 LEU A 15 3.606 3.034 1.682 1.00 0.00 C ATOM 236 CD2 LEU A 15 1.838 2.660 -0.099 1.00 0.00 C ATOM 0 H LEU A 15 0.364 5.795 3.401 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.024 3.503 1.542 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.267 5.332 0.656 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.323 5.312 2.054 1.00 0.00 H new ATOM 0 HG LEU A 15 3.248 4.248 -0.026 1.00 0.00 H new ATOM 0 HD11 LEU A 15 4.254 2.337 1.150 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.215 3.800 2.162 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.037 2.495 2.439 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.520 1.970 -0.596 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.192 2.104 0.581 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.228 3.168 -0.846 1.00 0.00 H new ATOM 248 N VAL A 16 0.873 1.795 3.010 1.00 0.00 N ATOM 249 CA VAL A 16 1.290 0.742 3.920 1.00 0.00 C ATOM 250 C VAL A 16 1.659 -0.505 3.113 1.00 0.00 C ATOM 251 O VAL A 16 1.571 -0.505 1.887 1.00 0.00 O ATOM 252 CB VAL A 16 0.194 0.481 4.955 1.00 0.00 C ATOM 253 CG1 VAL A 16 0.270 1.494 6.100 1.00 0.00 C ATOM 254 CG2 VAL A 16 -1.190 0.492 4.305 1.00 0.00 C ATOM 0 H VAL A 16 0.414 1.467 2.160 1.00 0.00 H new ATOM 0 HA VAL A 16 2.177 1.045 4.475 1.00 0.00 H new ATOM 0 HB VAL A 16 0.358 -0.512 5.373 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -0.520 1.287 6.822 1.00 0.00 H new ATOM 0 HG12 VAL A 16 1.240 1.416 6.591 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.144 2.501 5.703 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -1.950 0.304 5.064 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -1.369 1.464 3.846 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -1.240 -0.284 3.542 1.00 0.00 H new ATOM 264 N PHE A 17 2.065 -1.539 3.836 1.00 0.00 N ATOM 265 CA PHE A 17 2.448 -2.790 3.204 1.00 0.00 C ATOM 266 C PHE A 17 1.252 -3.736 3.090 1.00 0.00 C ATOM 267 O PHE A 17 0.591 -4.030 4.085 1.00 0.00 O ATOM 268 CB PHE A 17 3.510 -3.436 4.095 1.00 0.00 C ATOM 269 CG PHE A 17 4.844 -3.691 3.392 1.00 0.00 C ATOM 270 CD1 PHE A 17 4.861 -4.248 2.151 1.00 0.00 C ATOM 271 CD2 PHE A 17 6.013 -3.362 4.005 1.00 0.00 C ATOM 272 CE1 PHE A 17 6.098 -4.485 1.496 1.00 0.00 C ATOM 273 CE2 PHE A 17 7.250 -3.599 3.351 1.00 0.00 C ATOM 274 CZ PHE A 17 7.267 -4.156 2.109 1.00 0.00 C ATOM 0 H PHE A 17 2.137 -1.536 4.853 1.00 0.00 H new ATOM 0 HA PHE A 17 2.823 -2.598 2.199 1.00 0.00 H new ATOM 0 HB2 PHE A 17 3.684 -2.794 4.959 1.00 0.00 H new ATOM 0 HB3 PHE A 17 3.124 -4.383 4.474 1.00 0.00 H new ATOM 0 HD1 PHE A 17 3.933 -4.510 1.664 1.00 0.00 H new ATOM 0 HD2 PHE A 17 6.000 -2.920 4.990 1.00 0.00 H new ATOM 0 HE1 PHE A 17 6.111 -4.927 0.511 1.00 0.00 H new ATOM 0 HE2 PHE A 17 8.178 -3.338 3.839 1.00 0.00 H new ATOM 0 HZ PHE A 17 8.208 -4.337 1.611 1.00 0.00 H new ATOM 284 N ALA A 18 1.008 -4.186 1.868 1.00 0.00 N ATOM 285 CA ALA A 18 -0.098 -5.093 1.611 1.00 0.00 C ATOM 286 C ALA A 18 0.429 -6.349 0.914 1.00 0.00 C ATOM 287 O ALA A 18 1.233 -6.257 -0.013 1.00 0.00 O ATOM 288 CB ALA A 18 -1.167 -4.373 0.786 1.00 0.00 C ATOM 0 H ALA A 18 1.557 -3.939 1.045 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.563 -5.406 2.546 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.997 -5.053 0.593 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -1.529 -3.506 1.338 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.737 -4.047 -0.161 1.00 0.00 H new ATOM 294 N LYS A 19 -0.044 -7.492 1.386 1.00 0.00 N ATOM 295 CA LYS A 19 0.369 -8.765 0.820 1.00 0.00 C ATOM 296 C LYS A 19 -0.865 -9.525 0.330 1.00 0.00 C ATOM 297 O LYS A 19 -1.951 -9.377 0.886 1.00 0.00 O ATOM 298 CB LYS A 19 1.215 -9.549 1.825 1.00 0.00 C ATOM 299 CG LYS A 19 0.331 -10.256 2.853 1.00 0.00 C ATOM 300 CD LYS A 19 -0.241 -9.260 3.863 1.00 0.00 C ATOM 301 CE LYS A 19 -0.098 -9.784 5.293 1.00 0.00 C ATOM 302 NZ LYS A 19 -0.393 -8.712 6.270 1.00 0.00 N ATOM 0 H LYS A 19 -0.710 -7.564 2.155 1.00 0.00 H new ATOM 0 HA LYS A 19 1.011 -8.606 -0.047 1.00 0.00 H new ATOM 0 HB2 LYS A 19 1.824 -10.283 1.298 1.00 0.00 H new ATOM 0 HB3 LYS A 19 1.901 -8.872 2.334 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -0.484 -10.771 2.344 1.00 0.00 H new ATOM 0 HG3 LYS A 19 0.912 -11.016 3.376 1.00 0.00 H new ATOM 0 HD2 LYS A 19 0.275 -8.305 3.769 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -1.293 -9.077 3.643 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -0.776 -10.623 5.449 1.00 0.00 H new ATOM 0 HE3 LYS A 19 0.913 -10.159 5.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -0.475 -9.123 7.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 0.376 -8.012 6.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -1.288 -8.247 6.016 1.00 0.00 H new ATOM 316 N MET A 20 -0.656 -10.322 -0.708 1.00 0.00 N ATOM 317 CA MET A 20 -1.738 -11.106 -1.280 1.00 0.00 C ATOM 318 C MET A 20 -1.320 -12.566 -1.464 1.00 0.00 C ATOM 319 O MET A 20 -0.129 -12.877 -1.482 1.00 0.00 O ATOM 320 CB MET A 20 -2.137 -10.515 -2.633 1.00 0.00 C ATOM 321 CG MET A 20 -3.557 -10.935 -3.018 1.00 0.00 C ATOM 322 SD MET A 20 -4.505 -9.507 -3.513 1.00 0.00 S ATOM 323 CE MET A 20 -4.404 -9.668 -5.288 1.00 0.00 C ATOM 0 H MET A 20 0.247 -10.442 -1.168 1.00 0.00 H new ATOM 0 HA MET A 20 -2.586 -11.074 -0.595 1.00 0.00 H new ATOM 0 HB2 MET A 20 -2.074 -9.428 -2.591 1.00 0.00 H new ATOM 0 HB3 MET A 20 -1.436 -10.846 -3.399 1.00 0.00 H new ATOM 0 HG2 MET A 20 -3.522 -11.659 -3.832 1.00 0.00 H new ATOM 0 HG3 MET A 20 -4.040 -11.428 -2.174 1.00 0.00 H new ATOM 0 HE1 MET A 20 -4.515 -8.687 -5.749 1.00 0.00 H new ATOM 0 HE2 MET A 20 -3.436 -10.089 -5.561 1.00 0.00 H new ATOM 0 HE3 MET A 20 -5.198 -10.326 -5.639 1.00 0.00 H new ATOM 333 N LYS A 21 -2.322 -13.423 -1.595 1.00 0.00 N ATOM 334 CA LYS A 21 -2.073 -14.843 -1.777 1.00 0.00 C ATOM 335 C LYS A 21 -1.208 -15.049 -3.022 1.00 0.00 C ATOM 336 O LYS A 21 -1.583 -14.637 -4.119 1.00 0.00 O ATOM 337 CB LYS A 21 -3.392 -15.618 -1.809 1.00 0.00 C ATOM 338 CG LYS A 21 -3.312 -16.871 -0.935 1.00 0.00 C ATOM 339 CD LYS A 21 -2.528 -17.980 -1.636 1.00 0.00 C ATOM 340 CE LYS A 21 -3.277 -19.314 -1.563 1.00 0.00 C ATOM 341 NZ LYS A 21 -4.540 -19.240 -2.333 1.00 0.00 N ATOM 0 H LYS A 21 -3.308 -13.161 -1.579 1.00 0.00 H new ATOM 0 HA LYS A 21 -1.515 -15.244 -0.931 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -4.203 -14.978 -1.460 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -3.627 -15.900 -2.835 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -2.834 -16.627 0.014 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -4.318 -17.222 -0.704 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -2.362 -17.709 -2.679 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -1.547 -18.084 -1.173 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -2.649 -20.113 -1.958 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -3.491 -19.561 -0.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -4.810 -20.193 -2.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -5.292 -18.850 -1.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -4.406 -18.625 -3.161 1.00 0.00 H new ATOM 355 N GLY A 22 -0.066 -15.687 -2.811 1.00 0.00 N ATOM 356 CA GLY A 22 0.856 -15.953 -3.902 1.00 0.00 C ATOM 357 C GLY A 22 1.827 -14.786 -4.097 1.00 0.00 C ATOM 358 O GLY A 22 2.893 -14.953 -4.689 1.00 0.00 O ATOM 0 H GLY A 22 0.242 -16.028 -1.900 1.00 0.00 H new ATOM 0 HA2 GLY A 22 1.415 -16.865 -3.696 1.00 0.00 H new ATOM 0 HA3 GLY A 22 0.297 -16.123 -4.822 1.00 0.00 H new ATOM 362 N TYR A 23 1.426 -13.631 -3.586 1.00 0.00 N ATOM 363 CA TYR A 23 2.247 -12.438 -3.696 1.00 0.00 C ATOM 364 C TYR A 23 2.795 -12.023 -2.329 1.00 0.00 C ATOM 365 O TYR A 23 2.051 -11.953 -1.352 1.00 0.00 O ATOM 366 CB TYR A 23 1.323 -11.337 -4.217 1.00 0.00 C ATOM 367 CG TYR A 23 2.041 -10.250 -5.020 1.00 0.00 C ATOM 368 CD1 TYR A 23 2.519 -10.527 -6.285 1.00 0.00 C ATOM 369 CD2 TYR A 23 2.212 -8.993 -4.479 1.00 0.00 C ATOM 370 CE1 TYR A 23 3.195 -9.506 -7.041 1.00 0.00 C ATOM 371 CE2 TYR A 23 2.888 -7.970 -5.235 1.00 0.00 C ATOM 372 CZ TYR A 23 3.345 -8.276 -6.478 1.00 0.00 C ATOM 373 OH TYR A 23 3.983 -7.311 -7.192 1.00 0.00 O ATOM 0 H TYR A 23 0.542 -13.496 -3.094 1.00 0.00 H new ATOM 0 HA TYR A 23 3.097 -12.616 -4.354 1.00 0.00 H new ATOM 0 HB2 TYR A 23 0.554 -11.789 -4.843 1.00 0.00 H new ATOM 0 HB3 TYR A 23 0.814 -10.874 -3.372 1.00 0.00 H new ATOM 0 HD1 TYR A 23 2.385 -11.512 -6.708 1.00 0.00 H new ATOM 0 HD2 TYR A 23 1.839 -8.776 -3.489 1.00 0.00 H new ATOM 0 HE1 TYR A 23 3.574 -9.711 -8.031 1.00 0.00 H new ATOM 0 HE2 TYR A 23 3.029 -6.982 -4.823 1.00 0.00 H new ATOM 0 HH TYR A 23 4.346 -6.637 -6.580 1.00 0.00 H new ATOM 383 N PRO A 24 4.128 -11.751 -2.303 1.00 0.00 N ATOM 384 CA PRO A 24 4.785 -11.343 -1.073 1.00 0.00 C ATOM 385 C PRO A 24 4.446 -9.894 -0.724 1.00 0.00 C ATOM 386 O PRO A 24 4.112 -9.101 -1.604 1.00 0.00 O ATOM 387 CB PRO A 24 6.268 -11.563 -1.327 1.00 0.00 C ATOM 388 CG PRO A 24 6.424 -11.641 -2.837 1.00 0.00 C ATOM 389 CD PRO A 24 5.040 -11.823 -3.440 1.00 0.00 C ATOM 0 HA PRO A 24 4.453 -11.918 -0.209 1.00 0.00 H new ATOM 0 HB2 PRO A 24 6.860 -10.746 -0.915 1.00 0.00 H new ATOM 0 HB3 PRO A 24 6.614 -12.480 -0.850 1.00 0.00 H new ATOM 0 HG2 PRO A 24 6.891 -10.734 -3.220 1.00 0.00 H new ATOM 0 HG3 PRO A 24 7.072 -12.473 -3.111 1.00 0.00 H new ATOM 0 HD2 PRO A 24 4.822 -11.046 -4.172 1.00 0.00 H new ATOM 0 HD3 PRO A 24 4.955 -12.780 -3.956 1.00 0.00 H new ATOM 397 N HIS A 25 4.543 -9.589 0.562 1.00 0.00 N ATOM 398 CA HIS A 25 4.252 -8.248 1.038 1.00 0.00 C ATOM 399 C HIS A 25 4.832 -7.219 0.065 1.00 0.00 C ATOM 400 O HIS A 25 6.047 -7.152 -0.119 1.00 0.00 O ATOM 401 CB HIS A 25 4.753 -8.058 2.471 1.00 0.00 C ATOM 402 CG HIS A 25 3.661 -7.768 3.472 1.00 0.00 C ATOM 403 ND1 HIS A 25 3.104 -6.511 3.632 1.00 0.00 N ATOM 404 CD2 HIS A 25 3.027 -8.585 4.361 1.00 0.00 C ATOM 405 CE1 HIS A 25 2.179 -6.580 4.578 1.00 0.00 C ATOM 406 NE2 HIS A 25 2.134 -7.867 5.029 1.00 0.00 N ATOM 0 H HIS A 25 4.819 -10.249 1.289 1.00 0.00 H new ATOM 0 HA HIS A 25 3.173 -8.097 1.070 1.00 0.00 H new ATOM 0 HB2 HIS A 25 5.286 -8.957 2.781 1.00 0.00 H new ATOM 0 HB3 HIS A 25 5.473 -7.240 2.487 1.00 0.00 H new ATOM 0 HD1 HIS A 25 3.362 -5.673 3.110 1.00 0.00 H new ATOM 0 HD2 HIS A 25 3.220 -9.639 4.498 1.00 0.00 H new ATOM 0 HE1 HIS A 25 1.568 -5.762 4.930 1.00 0.00 H new ATOM 414 N TRP A 26 3.937 -6.446 -0.532 1.00 0.00 N ATOM 415 CA TRP A 26 4.346 -5.425 -1.483 1.00 0.00 C ATOM 416 C TRP A 26 3.800 -4.081 -0.996 1.00 0.00 C ATOM 417 O TRP A 26 2.831 -4.039 -0.241 1.00 0.00 O ATOM 418 CB TRP A 26 3.890 -5.780 -2.899 1.00 0.00 C ATOM 419 CG TRP A 26 5.025 -5.829 -3.924 1.00 0.00 C ATOM 420 CD1 TRP A 26 5.186 -5.067 -5.014 1.00 0.00 C ATOM 421 CD2 TRP A 26 6.156 -6.725 -3.910 1.00 0.00 C ATOM 422 NE1 TRP A 26 6.334 -5.403 -5.702 1.00 0.00 N ATOM 423 CE2 TRP A 26 6.943 -6.443 -5.009 1.00 0.00 C ATOM 424 CE3 TRP A 26 6.504 -7.738 -3.001 1.00 0.00 C ATOM 425 CZ2 TRP A 26 8.127 -7.131 -5.300 1.00 0.00 C ATOM 426 CZ3 TRP A 26 7.691 -8.416 -3.305 1.00 0.00 C ATOM 427 CH2 TRP A 26 8.494 -8.145 -4.407 1.00 0.00 C ATOM 0 H TRP A 26 2.931 -6.506 -0.376 1.00 0.00 H new ATOM 0 HA TRP A 26 5.433 -5.360 -1.537 1.00 0.00 H new ATOM 0 HB2 TRP A 26 3.392 -6.749 -2.877 1.00 0.00 H new ATOM 0 HB3 TRP A 26 3.150 -5.049 -3.226 1.00 0.00 H new ATOM 0 HD1 TRP A 26 4.503 -4.287 -5.316 1.00 0.00 H new ATOM 0 HE1 TRP A 26 6.673 -4.969 -6.560 1.00 0.00 H new ATOM 0 HE3 TRP A 26 5.903 -7.975 -2.136 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 8.725 -6.892 -6.167 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 8.004 -9.204 -2.637 1.00 0.00 H new ATOM 0 HH2 TRP A 26 9.397 -8.714 -4.574 1.00 0.00 H new ATOM 438 N PRO A 27 4.460 -2.989 -1.463 1.00 0.00 N ATOM 439 CA PRO A 27 4.050 -1.647 -1.086 1.00 0.00 C ATOM 440 C PRO A 27 2.776 -1.235 -1.825 1.00 0.00 C ATOM 441 O PRO A 27 2.821 -0.899 -3.007 1.00 0.00 O ATOM 442 CB PRO A 27 5.242 -0.763 -1.417 1.00 0.00 C ATOM 443 CG PRO A 27 6.094 -1.560 -2.392 1.00 0.00 C ATOM 444 CD PRO A 27 5.612 -3.002 -2.361 1.00 0.00 C ATOM 0 HA PRO A 27 3.794 -1.567 -0.030 1.00 0.00 H new ATOM 0 HB2 PRO A 27 4.919 0.179 -1.860 1.00 0.00 H new ATOM 0 HB3 PRO A 27 5.806 -0.515 -0.518 1.00 0.00 H new ATOM 0 HG2 PRO A 27 6.007 -1.150 -3.398 1.00 0.00 H new ATOM 0 HG3 PRO A 27 7.146 -1.503 -2.114 1.00 0.00 H new ATOM 0 HD2 PRO A 27 5.334 -3.348 -3.357 1.00 0.00 H new ATOM 0 HD3 PRO A 27 6.391 -3.672 -1.996 1.00 0.00 H new ATOM 452 N ALA A 28 1.669 -1.274 -1.097 1.00 0.00 N ATOM 453 CA ALA A 28 0.385 -0.908 -1.670 1.00 0.00 C ATOM 454 C ALA A 28 -0.217 0.245 -0.864 1.00 0.00 C ATOM 455 O ALA A 28 -0.034 0.322 0.350 1.00 0.00 O ATOM 456 CB ALA A 28 -0.528 -2.135 -1.701 1.00 0.00 C ATOM 0 H ALA A 28 1.635 -1.553 -0.117 1.00 0.00 H new ATOM 0 HA ALA A 28 0.506 -0.565 -2.698 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -1.491 -1.861 -2.131 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -0.069 -2.915 -2.308 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -0.675 -2.505 -0.686 1.00 0.00 H new ATOM 462 N ARG A 29 -0.923 1.115 -1.573 1.00 0.00 N ATOM 463 CA ARG A 29 -1.553 2.261 -0.940 1.00 0.00 C ATOM 464 C ARG A 29 -3.004 1.937 -0.577 1.00 0.00 C ATOM 465 O ARG A 29 -3.591 1.005 -1.126 1.00 0.00 O ATOM 466 CB ARG A 29 -1.525 3.482 -1.860 1.00 0.00 C ATOM 467 CG ARG A 29 -1.299 4.767 -1.060 1.00 0.00 C ATOM 468 CD ARG A 29 -0.647 5.846 -1.927 1.00 0.00 C ATOM 469 NE ARG A 29 -1.072 7.187 -1.470 1.00 0.00 N ATOM 470 CZ ARG A 29 -0.897 8.312 -2.179 1.00 0.00 C ATOM 471 NH1 ARG A 29 -0.306 8.264 -3.379 1.00 0.00 N ATOM 472 NH2 ARG A 29 -1.315 9.486 -1.685 1.00 0.00 N ATOM 0 H ARG A 29 -1.072 1.049 -2.580 1.00 0.00 H new ATOM 0 HA ARG A 29 -0.991 2.490 -0.034 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -0.733 3.366 -2.600 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -2.465 3.551 -2.407 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -2.251 5.132 -0.674 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -0.666 4.556 -0.198 1.00 0.00 H new ATOM 0 HD2 ARG A 29 0.438 5.761 -1.873 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -0.926 5.703 -2.971 1.00 0.00 H new ATOM 0 HE ARG A 29 -1.526 7.261 -0.560 1.00 0.00 H new ATOM 0 HH11 ARG A 29 0.012 7.371 -3.756 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -0.174 9.120 -3.917 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -1.766 9.523 -0.771 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -1.182 10.342 -2.223 1.00 0.00 H new ATOM 486 N ILE A 30 -3.539 2.722 0.345 1.00 0.00 N ATOM 487 CA ILE A 30 -4.909 2.531 0.787 1.00 0.00 C ATOM 488 C ILE A 30 -5.854 3.283 -0.152 1.00 0.00 C ATOM 489 O ILE A 30 -5.499 4.334 -0.685 1.00 0.00 O ATOM 490 CB ILE A 30 -5.059 2.928 2.257 1.00 0.00 C ATOM 491 CG1 ILE A 30 -5.845 1.869 3.034 1.00 0.00 C ATOM 492 CG2 ILE A 30 -5.683 4.319 2.389 1.00 0.00 C ATOM 493 CD1 ILE A 30 -7.247 1.689 2.449 1.00 0.00 C ATOM 0 H ILE A 30 -3.048 3.492 0.799 1.00 0.00 H new ATOM 0 HA ILE A 30 -5.181 1.477 0.736 1.00 0.00 H new ATOM 0 HB ILE A 30 -4.064 2.979 2.700 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -5.310 0.920 3.005 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -5.919 2.161 4.081 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -5.778 4.576 3.444 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -5.047 5.052 1.893 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -6.669 4.321 1.925 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -7.785 0.931 3.019 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -7.787 2.634 2.502 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -7.169 1.373 1.409 1.00 0.00 H new ATOM 505 N ASP A 31 -7.039 2.715 -0.326 1.00 0.00 N ATOM 506 CA ASP A 31 -8.038 3.319 -1.193 1.00 0.00 C ATOM 507 C ASP A 31 -9.427 2.832 -0.780 1.00 0.00 C ATOM 508 O ASP A 31 -9.573 1.722 -0.269 1.00 0.00 O ATOM 509 CB ASP A 31 -7.812 2.923 -2.653 1.00 0.00 C ATOM 510 CG ASP A 31 -6.894 3.858 -3.443 1.00 0.00 C ATOM 511 OD1 ASP A 31 -7.269 5.042 -3.576 1.00 0.00 O ATOM 512 OD2 ASP A 31 -5.838 3.367 -3.898 1.00 0.00 O ATOM 0 H ASP A 31 -7.330 1.844 0.118 1.00 0.00 H new ATOM 0 HA ASP A 31 -7.957 4.402 -1.097 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -7.392 1.918 -2.680 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -8.778 2.878 -3.155 1.00 0.00 H new ATOM 517 N GLU A 32 -10.413 3.685 -1.014 1.00 0.00 N ATOM 518 CA GLU A 32 -11.786 3.355 -0.672 1.00 0.00 C ATOM 519 C GLU A 32 -12.525 2.818 -1.900 1.00 0.00 C ATOM 520 O GLU A 32 -12.187 3.163 -3.031 1.00 0.00 O ATOM 521 CB GLU A 32 -12.511 4.568 -0.084 1.00 0.00 C ATOM 522 CG GLU A 32 -12.697 4.413 1.427 1.00 0.00 C ATOM 523 CD GLU A 32 -14.090 4.879 1.858 1.00 0.00 C ATOM 524 OE1 GLU A 32 -15.067 4.333 1.301 1.00 0.00 O ATOM 525 OE2 GLU A 32 -14.145 5.768 2.735 1.00 0.00 O ATOM 0 H GLU A 32 -10.288 4.605 -1.437 1.00 0.00 H new ATOM 0 HA GLU A 32 -11.773 2.576 0.090 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -11.942 5.474 -0.293 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -13.483 4.684 -0.564 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -12.555 3.370 1.710 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -11.937 4.992 1.952 1.00 0.00 H new ATOM 532 N MET A 33 -13.518 1.983 -1.635 1.00 0.00 N ATOM 533 CA MET A 33 -14.307 1.395 -2.704 1.00 0.00 C ATOM 534 C MET A 33 -15.280 2.417 -3.293 1.00 0.00 C ATOM 535 O MET A 33 -16.163 2.915 -2.594 1.00 0.00 O ATOM 536 CB MET A 33 -15.089 0.197 -2.163 1.00 0.00 C ATOM 537 CG MET A 33 -16.005 0.616 -1.011 1.00 0.00 C ATOM 538 SD MET A 33 -15.790 -0.490 0.373 1.00 0.00 S ATOM 539 CE MET A 33 -15.913 0.674 1.722 1.00 0.00 C ATOM 0 H MET A 33 -13.795 1.699 -0.695 1.00 0.00 H new ATOM 0 HA MET A 33 -13.629 1.070 -3.493 1.00 0.00 H new ATOM 0 HB2 MET A 33 -15.683 -0.245 -2.963 1.00 0.00 H new ATOM 0 HB3 MET A 33 -14.395 -0.570 -1.820 1.00 0.00 H new ATOM 0 HG2 MET A 33 -15.778 1.638 -0.709 1.00 0.00 H new ATOM 0 HG3 MET A 33 -17.044 0.604 -1.339 1.00 0.00 H new ATOM 0 HE1 MET A 33 -15.800 0.147 2.669 1.00 0.00 H new ATOM 0 HE2 MET A 33 -15.128 1.424 1.628 1.00 0.00 H new ATOM 0 HE3 MET A 33 -16.887 1.163 1.693 1.00 0.00 H new ATOM 549 N PRO A 34 -15.084 2.708 -4.607 1.00 0.00 N ATOM 550 CA PRO A 34 -15.936 3.662 -5.298 1.00 0.00 C ATOM 551 C PRO A 34 -17.307 3.054 -5.601 1.00 0.00 C ATOM 552 O PRO A 34 -17.514 1.857 -5.413 1.00 0.00 O ATOM 553 CB PRO A 34 -15.164 4.042 -6.551 1.00 0.00 C ATOM 554 CG PRO A 34 -14.129 2.947 -6.752 1.00 0.00 C ATOM 555 CD PRO A 34 -14.051 2.139 -5.467 1.00 0.00 C ATOM 0 HA PRO A 34 -16.153 4.545 -4.697 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -15.828 4.114 -7.412 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -14.686 5.015 -6.435 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -14.408 2.307 -7.589 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -13.157 3.379 -6.991 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -14.230 1.080 -5.654 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -13.066 2.219 -5.008 1.00 0.00 H new ATOM 563 N GLU A 35 -18.206 3.908 -6.067 1.00 0.00 N ATOM 564 CA GLU A 35 -19.551 3.470 -6.399 1.00 0.00 C ATOM 565 C GLU A 35 -20.083 4.252 -7.601 1.00 0.00 C ATOM 566 O GLU A 35 -21.270 4.566 -7.666 1.00 0.00 O ATOM 567 CB GLU A 35 -20.487 3.611 -5.196 1.00 0.00 C ATOM 568 CG GLU A 35 -20.483 5.047 -4.665 1.00 0.00 C ATOM 569 CD GLU A 35 -21.481 5.207 -3.515 1.00 0.00 C ATOM 570 OE1 GLU A 35 -21.155 4.725 -2.410 1.00 0.00 O ATOM 571 OE2 GLU A 35 -22.547 5.809 -3.770 1.00 0.00 O ATOM 0 H GLU A 35 -18.030 4.901 -6.223 1.00 0.00 H new ATOM 0 HA GLU A 35 -19.512 2.414 -6.666 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -21.500 3.328 -5.483 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -20.177 2.926 -4.407 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -19.482 5.309 -4.322 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -20.736 5.737 -5.470 1.00 0.00 H new ATOM 578 N ALA A 36 -19.177 4.545 -8.523 1.00 0.00 N ATOM 579 CA ALA A 36 -19.540 5.287 -9.721 1.00 0.00 C ATOM 580 C ALA A 36 -19.603 4.326 -10.909 1.00 0.00 C ATOM 581 O ALA A 36 -20.673 4.100 -11.473 1.00 0.00 O ATOM 582 CB ALA A 36 -18.540 6.422 -9.940 1.00 0.00 C ATOM 0 H ALA A 36 -18.193 4.283 -8.465 1.00 0.00 H new ATOM 0 HA ALA A 36 -20.526 5.739 -9.610 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -18.812 6.978 -10.837 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -18.555 7.091 -9.080 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -17.539 6.007 -10.059 1.00 0.00 H new ATOM 588 N ALA A 37 -18.443 3.785 -11.255 1.00 0.00 N ATOM 589 CA ALA A 37 -18.354 2.855 -12.366 1.00 0.00 C ATOM 590 C ALA A 37 -19.214 1.625 -12.068 1.00 0.00 C ATOM 591 O ALA A 37 -20.013 1.204 -12.902 1.00 0.00 O ATOM 592 CB ALA A 37 -16.888 2.494 -12.613 1.00 0.00 C ATOM 0 H ALA A 37 -17.558 3.974 -10.785 1.00 0.00 H new ATOM 0 HA ALA A 37 -18.737 3.311 -13.279 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -16.821 1.796 -13.447 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -16.326 3.397 -12.850 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -16.471 2.031 -11.718 1.00 0.00 H new ATOM 598 N VAL A 38 -19.022 1.084 -10.874 1.00 0.00 N ATOM 599 CA VAL A 38 -19.770 -0.089 -10.454 1.00 0.00 C ATOM 600 C VAL A 38 -20.217 0.088 -9.001 1.00 0.00 C ATOM 601 O VAL A 38 -19.884 1.087 -8.364 1.00 0.00 O ATOM 602 CB VAL A 38 -18.931 -1.350 -10.672 1.00 0.00 C ATOM 603 CG1 VAL A 38 -18.660 -1.579 -12.160 1.00 0.00 C ATOM 604 CG2 VAL A 38 -17.624 -1.284 -9.880 1.00 0.00 C ATOM 0 H VAL A 38 -18.359 1.436 -10.184 1.00 0.00 H new ATOM 0 HA VAL A 38 -20.670 -0.204 -11.058 1.00 0.00 H new ATOM 0 HB VAL A 38 -19.504 -2.200 -10.302 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -18.062 -2.481 -12.286 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -19.606 -1.694 -12.689 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -18.118 -0.725 -12.567 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -17.047 -2.193 -10.053 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -17.045 -0.419 -10.205 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -17.847 -1.193 -8.817 1.00 0.00 H new ATOM 614 N LYS A 39 -20.963 -0.894 -8.520 1.00 0.00 N ATOM 615 CA LYS A 39 -21.459 -0.859 -7.155 1.00 0.00 C ATOM 616 C LYS A 39 -20.587 -1.759 -6.277 1.00 0.00 C ATOM 617 O LYS A 39 -20.657 -2.983 -6.375 1.00 0.00 O ATOM 618 CB LYS A 39 -22.946 -1.216 -7.115 1.00 0.00 C ATOM 619 CG LYS A 39 -23.768 -0.228 -7.945 1.00 0.00 C ATOM 620 CD LYS A 39 -24.743 -0.965 -8.867 1.00 0.00 C ATOM 621 CE LYS A 39 -24.410 -0.705 -10.337 1.00 0.00 C ATOM 622 NZ LYS A 39 -24.992 -1.762 -11.195 1.00 0.00 N ATOM 0 H LYS A 39 -21.237 -1.720 -9.052 1.00 0.00 H new ATOM 0 HA LYS A 39 -21.387 0.150 -6.750 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -23.092 -2.227 -7.496 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -23.298 -1.211 -6.083 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -24.321 0.437 -7.282 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -23.101 0.396 -8.539 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -24.702 -2.035 -8.665 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -25.762 -0.640 -8.658 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -24.797 0.269 -10.637 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -23.329 -0.674 -10.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -24.757 -1.570 -12.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -24.603 -2.686 -10.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -26.026 -1.773 -11.080 1.00 0.00 H new ATOM 636 N SER A 40 -19.785 -1.118 -5.440 1.00 0.00 N ATOM 637 CA SER A 40 -18.901 -1.845 -4.546 1.00 0.00 C ATOM 638 C SER A 40 -19.720 -2.583 -3.484 1.00 0.00 C ATOM 639 O SER A 40 -20.943 -2.451 -3.437 1.00 0.00 O ATOM 640 CB SER A 40 -17.894 -0.905 -3.880 1.00 0.00 C ATOM 641 OG SER A 40 -16.911 -0.438 -4.799 1.00 0.00 O ATOM 0 H SER A 40 -19.729 -0.103 -5.362 1.00 0.00 H new ATOM 0 HA SER A 40 -18.343 -2.572 -5.136 1.00 0.00 H new ATOM 0 HB2 SER A 40 -18.422 -0.054 -3.450 1.00 0.00 H new ATOM 0 HB3 SER A 40 -17.403 -1.424 -3.057 1.00 0.00 H new ATOM 0 HG SER A 40 -17.296 0.268 -5.359 1.00 0.00 H new ATOM 647 N THR A 41 -19.014 -3.340 -2.658 1.00 0.00 N ATOM 648 CA THR A 41 -19.661 -4.099 -1.601 1.00 0.00 C ATOM 649 C THR A 41 -19.209 -3.592 -0.230 1.00 0.00 C ATOM 650 O THR A 41 -18.504 -2.588 -0.136 1.00 0.00 O ATOM 651 CB THR A 41 -19.361 -5.580 -1.829 1.00 0.00 C ATOM 652 OG1 THR A 41 -17.938 -5.645 -1.877 1.00 0.00 O ATOM 653 CG2 THR A 41 -19.801 -6.060 -3.213 1.00 0.00 C ATOM 0 H THR A 41 -18.000 -3.444 -2.699 1.00 0.00 H new ATOM 0 HA THR A 41 -20.743 -3.966 -1.624 1.00 0.00 H new ATOM 0 HB THR A 41 -19.861 -6.172 -1.062 1.00 0.00 H new ATOM 0 HG1 THR A 41 -17.658 -6.573 -2.021 1.00 0.00 H new ATOM 0 HG21 THR A 41 -19.565 -7.118 -3.323 1.00 0.00 H new ATOM 0 HG22 THR A 41 -20.876 -5.914 -3.324 1.00 0.00 H new ATOM 0 HG23 THR A 41 -19.277 -5.490 -3.980 1.00 0.00 H new ATOM 661 N ALA A 42 -19.635 -4.309 0.800 1.00 0.00 N ATOM 662 CA ALA A 42 -19.283 -3.944 2.162 1.00 0.00 C ATOM 663 C ALA A 42 -18.185 -4.880 2.669 1.00 0.00 C ATOM 664 O ALA A 42 -17.742 -5.772 1.946 1.00 0.00 O ATOM 665 CB ALA A 42 -20.535 -3.985 3.042 1.00 0.00 C ATOM 0 H ALA A 42 -20.220 -5.140 0.719 1.00 0.00 H new ATOM 0 HA ALA A 42 -18.892 -2.927 2.197 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -20.271 -3.711 4.063 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -21.273 -3.282 2.657 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -20.953 -4.991 3.033 1.00 0.00 H new ATOM 671 N ASN A 43 -17.778 -4.647 3.908 1.00 0.00 N ATOM 672 CA ASN A 43 -16.739 -5.460 4.519 1.00 0.00 C ATOM 673 C ASN A 43 -15.638 -5.731 3.493 1.00 0.00 C ATOM 674 O ASN A 43 -15.358 -6.884 3.168 1.00 0.00 O ATOM 675 CB ASN A 43 -17.296 -6.808 4.983 1.00 0.00 C ATOM 676 CG ASN A 43 -18.034 -7.517 3.846 1.00 0.00 C ATOM 677 OD1 ASN A 43 -19.340 -7.270 3.812 1.00 0.00 O flip ATOM 678 ND2 ASN A 43 -17.455 -8.238 3.051 1.00 0.00 N flip ATOM 0 H ASN A 43 -18.148 -3.908 4.505 1.00 0.00 H new ATOM 0 HA ASN A 43 -16.348 -4.916 5.379 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -16.482 -7.438 5.341 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -17.974 -6.656 5.822 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -16.449 -8.385 3.135 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -17.977 -8.694 2.302 1.00 0.00 H new ATOM 685 N LYS A 44 -15.044 -4.649 3.011 1.00 0.00 N ATOM 686 CA LYS A 44 -13.979 -4.756 2.028 1.00 0.00 C ATOM 687 C LYS A 44 -13.362 -3.375 1.799 1.00 0.00 C ATOM 688 O LYS A 44 -14.053 -2.361 1.880 1.00 0.00 O ATOM 689 CB LYS A 44 -14.497 -5.418 0.748 1.00 0.00 C ATOM 690 CG LYS A 44 -15.405 -4.466 -0.032 1.00 0.00 C ATOM 691 CD LYS A 44 -15.388 -4.795 -1.527 1.00 0.00 C ATOM 692 CE LYS A 44 -14.061 -4.377 -2.163 1.00 0.00 C ATOM 693 NZ LYS A 44 -13.903 -2.906 -2.117 1.00 0.00 N ATOM 0 H LYS A 44 -15.280 -3.695 3.283 1.00 0.00 H new ATOM 0 HA LYS A 44 -13.184 -5.404 2.396 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -13.656 -5.718 0.123 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -15.046 -6.325 1.000 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -16.424 -4.536 0.348 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -15.078 -3.438 0.122 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -15.543 -5.864 -1.670 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -16.212 -4.284 -2.025 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -13.233 -4.854 -1.638 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -14.023 -4.720 -3.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -13.292 -2.598 -2.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -14.835 -2.454 -2.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -13.470 -2.631 -1.212 1.00 0.00 H new ATOM 707 N TYR A 45 -12.067 -3.380 1.520 1.00 0.00 N ATOM 708 CA TYR A 45 -11.347 -2.140 1.279 1.00 0.00 C ATOM 709 C TYR A 45 -10.575 -2.203 -0.040 1.00 0.00 C ATOM 710 O TYR A 45 -10.183 -3.279 -0.485 1.00 0.00 O ATOM 711 CB TYR A 45 -10.353 -1.999 2.432 1.00 0.00 C ATOM 712 CG TYR A 45 -10.579 -0.760 3.301 1.00 0.00 C ATOM 713 CD1 TYR A 45 -11.857 -0.273 3.489 1.00 0.00 C ATOM 714 CD2 TYR A 45 -9.505 -0.127 3.893 1.00 0.00 C ATOM 715 CE1 TYR A 45 -12.070 0.894 4.306 1.00 0.00 C ATOM 716 CE2 TYR A 45 -9.718 1.041 4.709 1.00 0.00 C ATOM 717 CZ TYR A 45 -10.989 1.494 4.875 1.00 0.00 C ATOM 718 OH TYR A 45 -11.190 2.596 5.647 1.00 0.00 O ATOM 0 H TYR A 45 -11.497 -4.223 1.455 1.00 0.00 H new ATOM 0 HA TYR A 45 -12.038 -1.300 1.219 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -10.414 -2.887 3.061 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -9.342 -1.965 2.025 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -12.697 -0.767 3.024 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -8.505 -0.507 3.745 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -13.065 1.284 4.463 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -8.886 1.546 5.178 1.00 0.00 H new ATOM 0 HH TYR A 45 -10.330 2.918 5.989 1.00 0.00 H new ATOM 728 N GLN A 46 -10.378 -1.031 -0.628 1.00 0.00 N ATOM 729 CA GLN A 46 -9.659 -0.939 -1.888 1.00 0.00 C ATOM 730 C GLN A 46 -8.173 -0.679 -1.632 1.00 0.00 C ATOM 731 O GLN A 46 -7.817 0.215 -0.867 1.00 0.00 O ATOM 732 CB GLN A 46 -10.259 0.148 -2.783 1.00 0.00 C ATOM 733 CG GLN A 46 -9.508 0.237 -4.113 1.00 0.00 C ATOM 734 CD GLN A 46 -10.327 1.007 -5.153 1.00 0.00 C ATOM 735 OE1 GLN A 46 -11.380 0.576 -5.594 1.00 0.00 O ATOM 736 NE2 GLN A 46 -9.786 2.165 -5.518 1.00 0.00 N ATOM 0 H GLN A 46 -10.703 -0.139 -0.256 1.00 0.00 H new ATOM 0 HA GLN A 46 -9.757 -1.890 -2.411 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -11.311 -0.068 -2.969 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -10.217 1.110 -2.272 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -8.549 0.732 -3.961 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -9.295 -0.766 -4.482 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -8.901 2.466 -5.109 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -10.255 2.753 -6.207 1.00 0.00 H new ATOM 745 N VAL A 47 -7.344 -1.480 -2.288 1.00 0.00 N ATOM 746 CA VAL A 47 -5.905 -1.348 -2.140 1.00 0.00 C ATOM 747 C VAL A 47 -5.269 -1.186 -3.523 1.00 0.00 C ATOM 748 O VAL A 47 -5.674 -1.847 -4.478 1.00 0.00 O ATOM 749 CB VAL A 47 -5.347 -2.542 -1.362 1.00 0.00 C ATOM 750 CG1 VAL A 47 -3.948 -2.914 -1.856 1.00 0.00 C ATOM 751 CG2 VAL A 47 -5.340 -2.260 0.142 1.00 0.00 C ATOM 0 H VAL A 47 -7.642 -2.221 -2.922 1.00 0.00 H new ATOM 0 HA VAL A 47 -5.660 -0.457 -1.562 1.00 0.00 H new ATOM 0 HB VAL A 47 -6.002 -3.394 -1.541 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.575 -3.765 -1.286 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -3.993 -3.177 -2.913 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -3.277 -2.066 -1.721 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -4.939 -3.124 0.672 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -4.718 -1.388 0.346 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -6.358 -2.067 0.481 1.00 0.00 H new ATOM 761 N PHE A 48 -4.282 -0.305 -3.586 1.00 0.00 N ATOM 762 CA PHE A 48 -3.585 -0.048 -4.834 1.00 0.00 C ATOM 763 C PHE A 48 -2.115 -0.460 -4.738 1.00 0.00 C ATOM 764 O PHE A 48 -1.330 0.180 -4.040 1.00 0.00 O ATOM 765 CB PHE A 48 -3.663 1.460 -5.088 1.00 0.00 C ATOM 766 CG PHE A 48 -4.384 1.834 -6.383 1.00 0.00 C ATOM 767 CD1 PHE A 48 -5.743 1.908 -6.411 1.00 0.00 C ATOM 768 CD2 PHE A 48 -3.668 2.095 -7.510 1.00 0.00 C ATOM 769 CE1 PHE A 48 -6.412 2.258 -7.612 1.00 0.00 C ATOM 770 CE2 PHE A 48 -4.337 2.443 -8.713 1.00 0.00 C ATOM 771 CZ PHE A 48 -5.695 2.518 -8.739 1.00 0.00 C ATOM 0 H PHE A 48 -3.948 0.241 -2.791 1.00 0.00 H new ATOM 0 HA PHE A 48 -4.043 -0.622 -5.640 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -4.174 1.934 -4.250 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -2.652 1.866 -5.116 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -6.313 1.700 -5.517 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -2.590 2.037 -7.490 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -7.490 2.318 -7.632 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -3.768 2.648 -9.608 1.00 0.00 H new ATOM 0 HZ PHE A 48 -6.204 2.784 -9.654 1.00 0.00 H new ATOM 781 N PHE A 49 -1.786 -1.529 -5.448 1.00 0.00 N ATOM 782 CA PHE A 49 -0.424 -2.035 -5.451 1.00 0.00 C ATOM 783 C PHE A 49 0.455 -1.239 -6.419 1.00 0.00 C ATOM 784 O PHE A 49 0.121 -1.100 -7.594 1.00 0.00 O ATOM 785 CB PHE A 49 -0.489 -3.490 -5.919 1.00 0.00 C ATOM 786 CG PHE A 49 -0.748 -4.495 -4.795 1.00 0.00 C ATOM 787 CD1 PHE A 49 -1.698 -4.235 -3.856 1.00 0.00 C ATOM 788 CD2 PHE A 49 -0.029 -5.647 -4.734 1.00 0.00 C ATOM 789 CE1 PHE A 49 -1.938 -5.167 -2.812 1.00 0.00 C ATOM 790 CE2 PHE A 49 -0.271 -6.580 -3.690 1.00 0.00 C ATOM 791 CZ PHE A 49 -1.220 -6.319 -2.751 1.00 0.00 C ATOM 0 H PHE A 49 -2.439 -2.059 -6.025 1.00 0.00 H new ATOM 0 HA PHE A 49 0.008 -1.947 -4.454 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -1.277 -3.586 -6.666 1.00 0.00 H new ATOM 0 HB3 PHE A 49 0.450 -3.745 -6.411 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -2.269 -3.320 -3.905 1.00 0.00 H new ATOM 0 HD2 PHE A 49 0.726 -5.853 -5.479 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -2.691 -4.960 -2.066 1.00 0.00 H new ATOM 0 HE2 PHE A 49 0.299 -7.496 -3.642 1.00 0.00 H new ATOM 0 HZ PHE A 49 -1.403 -7.028 -1.957 1.00 0.00 H new ATOM 801 N PHE A 50 1.560 -0.739 -5.888 1.00 0.00 N ATOM 802 CA PHE A 50 2.489 0.040 -6.691 1.00 0.00 C ATOM 803 C PHE A 50 3.340 -0.868 -7.580 1.00 0.00 C ATOM 804 O PHE A 50 3.321 -0.739 -8.803 1.00 0.00 O ATOM 805 CB PHE A 50 3.407 0.784 -5.717 1.00 0.00 C ATOM 806 CG PHE A 50 2.899 2.172 -5.321 1.00 0.00 C ATOM 807 CD1 PHE A 50 3.128 3.237 -6.135 1.00 0.00 C ATOM 808 CD2 PHE A 50 2.218 2.340 -4.155 1.00 0.00 C ATOM 809 CE1 PHE A 50 2.658 4.525 -5.767 1.00 0.00 C ATOM 810 CE2 PHE A 50 1.748 3.629 -3.788 1.00 0.00 C ATOM 811 CZ PHE A 50 1.978 4.694 -4.602 1.00 0.00 C ATOM 0 H PHE A 50 1.834 -0.857 -4.913 1.00 0.00 H new ATOM 0 HA PHE A 50 1.939 0.725 -7.337 1.00 0.00 H new ATOM 0 HB2 PHE A 50 3.528 0.182 -4.816 1.00 0.00 H new ATOM 0 HB3 PHE A 50 4.394 0.885 -6.169 1.00 0.00 H new ATOM 0 HD1 PHE A 50 3.667 3.103 -7.061 1.00 0.00 H new ATOM 0 HD2 PHE A 50 2.035 1.494 -3.509 1.00 0.00 H new ATOM 0 HE1 PHE A 50 2.841 5.371 -6.413 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.208 3.763 -2.862 1.00 0.00 H new ATOM 0 HZ PHE A 50 1.620 5.674 -4.323 1.00 0.00 H new ATOM 821 N GLY A 51 4.066 -1.766 -6.932 1.00 0.00 N ATOM 822 CA GLY A 51 4.922 -2.696 -7.650 1.00 0.00 C ATOM 823 C GLY A 51 4.253 -3.170 -8.941 1.00 0.00 C ATOM 824 O GLY A 51 4.813 -3.019 -10.026 1.00 0.00 O ATOM 0 H GLY A 51 4.080 -1.870 -5.917 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.872 -2.216 -7.884 1.00 0.00 H new ATOM 0 HA3 GLY A 51 5.146 -3.554 -7.016 1.00 0.00 H new ATOM 828 N THR A 52 3.065 -3.736 -8.784 1.00 0.00 N ATOM 829 CA THR A 52 2.315 -4.234 -9.924 1.00 0.00 C ATOM 830 C THR A 52 1.574 -3.088 -10.615 1.00 0.00 C ATOM 831 O THR A 52 1.370 -3.117 -11.828 1.00 0.00 O ATOM 832 CB THR A 52 1.389 -5.346 -9.431 1.00 0.00 C ATOM 833 OG1 THR A 52 0.730 -4.777 -8.303 1.00 0.00 O ATOM 834 CG2 THR A 52 2.159 -6.535 -8.851 1.00 0.00 C ATOM 0 H THR A 52 2.603 -3.861 -7.883 1.00 0.00 H new ATOM 0 HA THR A 52 2.977 -4.655 -10.681 1.00 0.00 H new ATOM 0 HB THR A 52 0.761 -5.686 -10.255 1.00 0.00 H new ATOM 0 HG1 THR A 52 0.108 -5.432 -7.923 1.00 0.00 H new ATOM 0 HG21 THR A 52 1.454 -7.296 -8.516 1.00 0.00 H new ATOM 0 HG22 THR A 52 2.810 -6.956 -9.617 1.00 0.00 H new ATOM 0 HG23 THR A 52 2.762 -6.201 -8.006 1.00 0.00 H new ATOM 842 N HIS A 53 1.190 -2.106 -9.813 1.00 0.00 N ATOM 843 CA HIS A 53 0.473 -0.951 -10.333 1.00 0.00 C ATOM 844 C HIS A 53 -0.970 -1.343 -10.649 1.00 0.00 C ATOM 845 O HIS A 53 -1.532 -0.903 -11.652 1.00 0.00 O ATOM 846 CB HIS A 53 1.205 -0.357 -11.538 1.00 0.00 C ATOM 847 CG HIS A 53 1.165 1.151 -11.598 1.00 0.00 C ATOM 848 ND1 HIS A 53 1.543 1.953 -10.535 1.00 0.00 N ATOM 849 CD2 HIS A 53 0.792 1.993 -12.602 1.00 0.00 C ATOM 850 CE1 HIS A 53 1.398 3.219 -10.895 1.00 0.00 C ATOM 851 NE2 HIS A 53 0.932 3.243 -12.176 1.00 0.00 N ATOM 0 H HIS A 53 1.361 -2.085 -8.808 1.00 0.00 H new ATOM 0 HA HIS A 53 0.441 -0.166 -9.577 1.00 0.00 H new ATOM 0 HB2 HIS A 53 2.245 -0.682 -11.515 1.00 0.00 H new ATOM 0 HB3 HIS A 53 0.766 -0.759 -12.451 1.00 0.00 H new ATOM 0 HD2 HIS A 53 0.442 1.694 -13.579 1.00 0.00 H new ATOM 0 HE1 HIS A 53 1.612 4.082 -10.281 1.00 0.00 H new ATOM 0 HE2 HIS A 53 0.725 4.082 -12.718 1.00 0.00 H new ATOM 859 N GLU A 54 -1.532 -2.167 -9.776 1.00 0.00 N ATOM 860 CA GLU A 54 -2.900 -2.623 -9.949 1.00 0.00 C ATOM 861 C GLU A 54 -3.647 -2.581 -8.615 1.00 0.00 C ATOM 862 O GLU A 54 -3.032 -2.657 -7.552 1.00 0.00 O ATOM 863 CB GLU A 54 -2.938 -4.027 -10.556 1.00 0.00 C ATOM 864 CG GLU A 54 -2.554 -3.995 -12.037 1.00 0.00 C ATOM 865 CD GLU A 54 -3.684 -4.549 -12.906 1.00 0.00 C ATOM 866 OE1 GLU A 54 -3.899 -5.779 -12.843 1.00 0.00 O ATOM 867 OE2 GLU A 54 -4.307 -3.729 -13.617 1.00 0.00 O ATOM 0 H GLU A 54 -1.064 -2.531 -8.946 1.00 0.00 H new ATOM 0 HA GLU A 54 -3.401 -1.949 -10.644 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.254 -4.680 -10.014 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -3.937 -4.448 -10.445 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -2.328 -2.971 -12.336 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -1.648 -4.580 -12.195 1.00 0.00 H new ATOM 874 N THR A 55 -4.963 -2.461 -8.713 1.00 0.00 N ATOM 875 CA THR A 55 -5.801 -2.408 -7.526 1.00 0.00 C ATOM 876 C THR A 55 -6.361 -3.796 -7.207 1.00 0.00 C ATOM 877 O THR A 55 -6.546 -4.616 -8.106 1.00 0.00 O ATOM 878 CB THR A 55 -6.883 -1.355 -7.758 1.00 0.00 C ATOM 879 OG1 THR A 55 -6.162 -0.204 -8.191 1.00 0.00 O ATOM 880 CG2 THR A 55 -7.551 -0.905 -6.456 1.00 0.00 C ATOM 0 H THR A 55 -5.470 -2.399 -9.596 1.00 0.00 H new ATOM 0 HA THR A 55 -5.226 -2.114 -6.648 1.00 0.00 H new ATOM 0 HB THR A 55 -7.637 -1.755 -8.436 1.00 0.00 H new ATOM 0 HG1 THR A 55 -6.483 0.585 -7.706 1.00 0.00 H new ATOM 0 HG21 THR A 55 -8.312 -0.156 -6.677 1.00 0.00 H new ATOM 0 HG22 THR A 55 -8.016 -1.763 -5.970 1.00 0.00 H new ATOM 0 HG23 THR A 55 -6.801 -0.475 -5.792 1.00 0.00 H new ATOM 888 N ALA A 56 -6.617 -4.016 -5.926 1.00 0.00 N ATOM 889 CA ALA A 56 -7.153 -5.290 -5.478 1.00 0.00 C ATOM 890 C ALA A 56 -7.939 -5.079 -4.182 1.00 0.00 C ATOM 891 O ALA A 56 -7.630 -4.179 -3.404 1.00 0.00 O ATOM 892 CB ALA A 56 -6.012 -6.295 -5.312 1.00 0.00 C ATOM 0 H ALA A 56 -6.463 -3.333 -5.184 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.841 -5.699 -6.218 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -6.415 -7.250 -4.976 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -5.505 -6.431 -6.267 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.302 -5.921 -4.574 1.00 0.00 H new ATOM 898 N PHE A 57 -8.941 -5.926 -3.991 1.00 0.00 N ATOM 899 CA PHE A 57 -9.772 -5.844 -2.803 1.00 0.00 C ATOM 900 C PHE A 57 -9.049 -6.425 -1.586 1.00 0.00 C ATOM 901 O PHE A 57 -8.852 -7.635 -1.495 1.00 0.00 O ATOM 902 CB PHE A 57 -11.028 -6.674 -3.078 1.00 0.00 C ATOM 903 CG PHE A 57 -11.730 -6.325 -4.392 1.00 0.00 C ATOM 904 CD1 PHE A 57 -12.126 -5.046 -4.632 1.00 0.00 C ATOM 905 CD2 PHE A 57 -11.956 -7.292 -5.320 1.00 0.00 C ATOM 906 CE1 PHE A 57 -12.777 -4.723 -5.851 1.00 0.00 C ATOM 907 CE2 PHE A 57 -12.606 -6.968 -6.540 1.00 0.00 C ATOM 908 CZ PHE A 57 -13.004 -5.689 -6.780 1.00 0.00 C ATOM 0 H PHE A 57 -9.195 -6.672 -4.639 1.00 0.00 H new ATOM 0 HA PHE A 57 -10.010 -4.802 -2.587 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -10.757 -7.730 -3.092 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -11.730 -6.536 -2.255 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -11.945 -4.277 -3.896 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -11.641 -8.307 -5.129 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -13.093 -3.708 -6.041 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -12.785 -7.737 -7.277 1.00 0.00 H new ATOM 0 HZ PHE A 57 -13.500 -5.442 -7.707 1.00 0.00 H new ATOM 918 N LEU A 58 -8.673 -5.532 -0.680 1.00 0.00 N ATOM 919 CA LEU A 58 -7.977 -5.940 0.527 1.00 0.00 C ATOM 920 C LEU A 58 -8.472 -5.101 1.706 1.00 0.00 C ATOM 921 O LEU A 58 -9.294 -4.202 1.531 1.00 0.00 O ATOM 922 CB LEU A 58 -6.462 -5.874 0.319 1.00 0.00 C ATOM 923 CG LEU A 58 -5.867 -6.923 -0.622 1.00 0.00 C ATOM 924 CD1 LEU A 58 -6.112 -6.548 -2.085 1.00 0.00 C ATOM 925 CD2 LEU A 58 -4.382 -7.146 -0.329 1.00 0.00 C ATOM 0 H LEU A 58 -8.838 -4.529 -0.759 1.00 0.00 H new ATOM 0 HA LEU A 58 -8.200 -6.981 0.761 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -6.211 -4.886 -0.066 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -5.977 -5.970 1.291 1.00 0.00 H new ATOM 0 HG LEU A 58 -6.375 -7.870 -0.442 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -5.679 -7.310 -2.733 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -7.184 -6.482 -2.269 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -5.647 -5.585 -2.297 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.985 -7.896 -1.013 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -3.840 -6.210 -0.463 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -4.262 -7.491 0.698 1.00 0.00 H new ATOM 937 N GLY A 59 -7.953 -5.424 2.882 1.00 0.00 N ATOM 938 CA GLY A 59 -8.332 -4.710 4.089 1.00 0.00 C ATOM 939 C GLY A 59 -7.127 -4.512 5.012 1.00 0.00 C ATOM 940 O GLY A 59 -5.985 -4.514 4.556 1.00 0.00 O ATOM 0 H GLY A 59 -7.273 -6.171 3.024 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -8.755 -3.741 3.825 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -9.110 -5.264 4.614 1.00 0.00 H new ATOM 944 N PRO A 60 -7.433 -4.340 6.325 1.00 0.00 N ATOM 945 CA PRO A 60 -6.388 -4.141 7.316 1.00 0.00 C ATOM 946 C PRO A 60 -5.662 -5.454 7.619 1.00 0.00 C ATOM 947 O PRO A 60 -4.507 -5.445 8.041 1.00 0.00 O ATOM 948 CB PRO A 60 -7.099 -3.562 8.528 1.00 0.00 C ATOM 949 CG PRO A 60 -8.572 -3.891 8.342 1.00 0.00 C ATOM 950 CD PRO A 60 -8.774 -4.332 6.901 1.00 0.00 C ATOM 0 HA PRO A 60 -5.605 -3.466 6.971 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -6.715 -3.997 9.451 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -6.944 -2.485 8.594 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -8.876 -4.681 9.029 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -9.189 -3.020 8.564 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -9.233 -5.319 6.850 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -9.431 -3.647 6.365 1.00 0.00 H new ATOM 958 N LYS A 61 -6.370 -6.550 7.392 1.00 0.00 N ATOM 959 CA LYS A 61 -5.808 -7.868 7.635 1.00 0.00 C ATOM 960 C LYS A 61 -4.747 -8.169 6.575 1.00 0.00 C ATOM 961 O LYS A 61 -3.804 -8.914 6.830 1.00 0.00 O ATOM 962 CB LYS A 61 -6.918 -8.918 7.712 1.00 0.00 C ATOM 963 CG LYS A 61 -8.101 -8.407 8.537 1.00 0.00 C ATOM 964 CD LYS A 61 -8.163 -9.104 9.897 1.00 0.00 C ATOM 965 CE LYS A 61 -8.106 -8.087 11.039 1.00 0.00 C ATOM 966 NZ LYS A 61 -6.722 -7.952 11.546 1.00 0.00 N ATOM 0 H LYS A 61 -7.328 -6.553 7.042 1.00 0.00 H new ATOM 0 HA LYS A 61 -5.308 -7.896 8.603 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -7.254 -9.171 6.706 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -6.528 -9.833 8.158 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -8.011 -7.330 8.680 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -9.030 -8.580 7.993 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -9.082 -9.686 9.969 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -7.333 -9.805 9.988 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -8.468 -7.120 10.690 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -8.766 -8.402 11.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -6.702 -7.258 12.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -6.390 -8.873 11.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -6.100 -7.630 10.777 1.00 0.00 H new ATOM 980 N ASP A 62 -4.941 -7.576 5.406 1.00 0.00 N ATOM 981 CA ASP A 62 -4.012 -7.771 4.305 1.00 0.00 C ATOM 982 C ASP A 62 -3.016 -6.611 4.271 1.00 0.00 C ATOM 983 O ASP A 62 -2.109 -6.591 3.440 1.00 0.00 O ATOM 984 CB ASP A 62 -4.748 -7.803 2.964 1.00 0.00 C ATOM 985 CG ASP A 62 -5.197 -9.192 2.505 1.00 0.00 C ATOM 986 OD1 ASP A 62 -5.045 -10.133 3.314 1.00 0.00 O ATOM 987 OD2 ASP A 62 -5.680 -9.281 1.357 1.00 0.00 O ATOM 0 H ASP A 62 -5.727 -6.961 5.197 1.00 0.00 H new ATOM 0 HA ASP A 62 -3.501 -8.721 4.459 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -5.624 -7.159 3.032 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -4.098 -7.377 2.200 1.00 0.00 H new ATOM 992 N LEU A 63 -3.219 -5.672 5.183 1.00 0.00 N ATOM 993 CA LEU A 63 -2.350 -4.510 5.267 1.00 0.00 C ATOM 994 C LEU A 63 -1.647 -4.503 6.625 1.00 0.00 C ATOM 995 O LEU A 63 -2.236 -4.883 7.635 1.00 0.00 O ATOM 996 CB LEU A 63 -3.137 -3.230 4.974 1.00 0.00 C ATOM 997 CG LEU A 63 -3.158 -2.776 3.513 1.00 0.00 C ATOM 998 CD1 LEU A 63 -4.071 -1.561 3.330 1.00 0.00 C ATOM 999 CD2 LEU A 63 -1.742 -2.510 3.000 1.00 0.00 C ATOM 0 H LEU A 63 -3.972 -5.692 5.870 1.00 0.00 H new ATOM 0 HA LEU A 63 -1.572 -4.559 4.505 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -4.166 -3.376 5.303 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.720 -2.424 5.578 1.00 0.00 H new ATOM 0 HG LEU A 63 -3.572 -3.585 2.910 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.068 -1.258 2.283 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -5.086 -1.820 3.630 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -3.709 -0.738 3.947 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.786 -2.189 1.959 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -1.278 -1.728 3.602 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -1.151 -3.423 3.073 1.00 0.00 H new ATOM 1011 N PHE A 64 -0.396 -4.063 6.606 1.00 0.00 N ATOM 1012 CA PHE A 64 0.393 -4.002 7.824 1.00 0.00 C ATOM 1013 C PHE A 64 1.161 -2.682 7.912 1.00 0.00 C ATOM 1014 O PHE A 64 1.595 -2.141 6.895 1.00 0.00 O ATOM 1015 CB PHE A 64 1.395 -5.157 7.767 1.00 0.00 C ATOM 1016 CG PHE A 64 1.657 -5.820 9.122 1.00 0.00 C ATOM 1017 CD1 PHE A 64 0.621 -6.328 9.841 1.00 0.00 C ATOM 1018 CD2 PHE A 64 2.925 -5.902 9.603 1.00 0.00 C ATOM 1019 CE1 PHE A 64 0.864 -6.945 11.098 1.00 0.00 C ATOM 1020 CE2 PHE A 64 3.168 -6.517 10.861 1.00 0.00 C ATOM 1021 CZ PHE A 64 2.133 -7.026 11.580 1.00 0.00 C ATOM 0 H PHE A 64 0.089 -3.746 5.767 1.00 0.00 H new ATOM 0 HA PHE A 64 -0.260 -4.072 8.694 1.00 0.00 H new ATOM 0 HB2 PHE A 64 1.027 -5.910 7.070 1.00 0.00 H new ATOM 0 HB3 PHE A 64 2.339 -4.787 7.366 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -0.386 -6.263 9.457 1.00 0.00 H new ATOM 0 HD2 PHE A 64 3.748 -5.500 9.030 1.00 0.00 H new ATOM 0 HE1 PHE A 64 0.042 -7.349 11.670 1.00 0.00 H new ATOM 0 HE2 PHE A 64 4.175 -6.580 11.246 1.00 0.00 H new ATOM 0 HZ PHE A 64 2.319 -7.495 12.535 1.00 0.00 H new ATOM 1031 N PRO A 65 1.310 -2.187 9.172 1.00 0.00 N ATOM 1032 CA PRO A 65 2.019 -0.940 9.406 1.00 0.00 C ATOM 1033 C PRO A 65 3.530 -1.133 9.265 1.00 0.00 C ATOM 1034 O PRO A 65 4.015 -2.263 9.240 1.00 0.00 O ATOM 1035 CB PRO A 65 1.603 -0.508 10.802 1.00 0.00 C ATOM 1036 CG PRO A 65 1.048 -1.753 11.475 1.00 0.00 C ATOM 1037 CD PRO A 65 0.811 -2.799 10.399 1.00 0.00 C ATOM 0 HA PRO A 65 1.771 -0.171 8.675 1.00 0.00 H new ATOM 0 HB2 PRO A 65 2.452 -0.110 11.357 1.00 0.00 H new ATOM 0 HB3 PRO A 65 0.852 0.281 10.759 1.00 0.00 H new ATOM 0 HG2 PRO A 65 1.748 -2.127 12.223 1.00 0.00 H new ATOM 0 HG3 PRO A 65 0.118 -1.523 11.995 1.00 0.00 H new ATOM 0 HD2 PRO A 65 1.340 -3.725 10.623 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -0.247 -3.049 10.315 1.00 0.00 H new ATOM 1045 N TYR A 66 4.233 -0.012 9.176 1.00 0.00 N ATOM 1046 CA TYR A 66 5.678 -0.043 9.038 1.00 0.00 C ATOM 1047 C TYR A 66 6.354 -0.232 10.398 1.00 0.00 C ATOM 1048 O TYR A 66 7.384 -0.898 10.496 1.00 0.00 O ATOM 1049 CB TYR A 66 6.077 1.319 8.468 1.00 0.00 C ATOM 1050 CG TYR A 66 7.526 1.715 8.760 1.00 0.00 C ATOM 1051 CD1 TYR A 66 8.532 1.341 7.896 1.00 0.00 C ATOM 1052 CD2 TYR A 66 7.825 2.450 9.890 1.00 0.00 C ATOM 1053 CE1 TYR A 66 9.895 1.714 8.171 1.00 0.00 C ATOM 1054 CE2 TYR A 66 9.188 2.823 10.166 1.00 0.00 C ATOM 1055 CZ TYR A 66 10.155 2.438 9.292 1.00 0.00 C ATOM 1056 OH TYR A 66 11.443 2.790 9.553 1.00 0.00 O ATOM 0 H TYR A 66 3.827 0.923 9.197 1.00 0.00 H new ATOM 0 HA TYR A 66 5.985 -0.870 8.397 1.00 0.00 H new ATOM 0 HB2 TYR A 66 5.924 1.309 7.389 1.00 0.00 H new ATOM 0 HB3 TYR A 66 5.413 2.081 8.877 1.00 0.00 H new ATOM 0 HD1 TYR A 66 8.298 0.767 7.011 1.00 0.00 H new ATOM 0 HD2 TYR A 66 7.037 2.745 10.567 1.00 0.00 H new ATOM 0 HE1 TYR A 66 10.692 1.425 7.502 1.00 0.00 H new ATOM 0 HE2 TYR A 66 9.436 3.396 11.047 1.00 0.00 H new ATOM 0 HH TYR A 66 11.479 3.306 10.386 1.00 0.00 H new ATOM 1066 N GLU A 67 5.748 0.366 11.413 1.00 0.00 N ATOM 1067 CA GLU A 67 6.279 0.274 12.762 1.00 0.00 C ATOM 1068 C GLU A 67 6.408 -1.192 13.181 1.00 0.00 C ATOM 1069 O GLU A 67 7.463 -1.617 13.650 1.00 0.00 O ATOM 1070 CB GLU A 67 5.405 1.050 13.750 1.00 0.00 C ATOM 1071 CG GLU A 67 6.020 2.415 14.068 1.00 0.00 C ATOM 1072 CD GLU A 67 5.944 2.713 15.567 1.00 0.00 C ATOM 1073 OE1 GLU A 67 6.222 1.776 16.347 1.00 0.00 O ATOM 1074 OE2 GLU A 67 5.610 3.871 15.899 1.00 0.00 O ATOM 0 H GLU A 67 4.894 0.917 11.328 1.00 0.00 H new ATOM 0 HA GLU A 67 7.271 0.725 12.773 1.00 0.00 H new ATOM 0 HB2 GLU A 67 4.408 1.185 13.331 1.00 0.00 H new ATOM 0 HB3 GLU A 67 5.290 0.475 14.669 1.00 0.00 H new ATOM 0 HG2 GLU A 67 7.060 2.435 13.742 1.00 0.00 H new ATOM 0 HG3 GLU A 67 5.497 3.193 13.512 1.00 0.00 H new ATOM 1081 N GLU A 68 5.320 -1.926 12.996 1.00 0.00 N ATOM 1082 CA GLU A 68 5.299 -3.335 13.349 1.00 0.00 C ATOM 1083 C GLU A 68 6.203 -4.132 12.405 1.00 0.00 C ATOM 1084 O GLU A 68 7.007 -4.947 12.851 1.00 0.00 O ATOM 1085 CB GLU A 68 3.870 -3.883 13.335 1.00 0.00 C ATOM 1086 CG GLU A 68 3.240 -3.805 14.726 1.00 0.00 C ATOM 1087 CD GLU A 68 2.222 -4.930 14.930 1.00 0.00 C ATOM 1088 OE1 GLU A 68 2.662 -6.098 14.955 1.00 0.00 O ATOM 1089 OE2 GLU A 68 1.024 -4.593 15.053 1.00 0.00 O ATOM 0 H GLU A 68 4.447 -1.571 12.606 1.00 0.00 H new ATOM 0 HA GLU A 68 5.683 -3.442 14.364 1.00 0.00 H new ATOM 0 HB2 GLU A 68 3.266 -3.316 12.626 1.00 0.00 H new ATOM 0 HB3 GLU A 68 3.877 -4.918 12.992 1.00 0.00 H new ATOM 0 HG2 GLU A 68 4.018 -3.872 15.486 1.00 0.00 H new ATOM 0 HG3 GLU A 68 2.751 -2.839 14.854 1.00 0.00 H new ATOM 1096 N SER A 69 6.036 -3.869 11.117 1.00 0.00 N ATOM 1097 CA SER A 69 6.825 -4.552 10.106 1.00 0.00 C ATOM 1098 C SER A 69 8.314 -4.290 10.340 1.00 0.00 C ATOM 1099 O SER A 69 9.113 -5.224 10.390 1.00 0.00 O ATOM 1100 CB SER A 69 6.421 -4.107 8.699 1.00 0.00 C ATOM 1101 OG SER A 69 7.133 -2.945 8.282 1.00 0.00 O ATOM 0 H SER A 69 5.366 -3.193 10.751 1.00 0.00 H new ATOM 0 HA SER A 69 6.634 -5.622 10.187 1.00 0.00 H new ATOM 0 HB2 SER A 69 6.607 -4.918 7.995 1.00 0.00 H new ATOM 0 HB3 SER A 69 5.350 -3.904 8.676 1.00 0.00 H new ATOM 0 HG SER A 69 6.848 -2.693 7.379 1.00 0.00 H new ATOM 1107 N LYS A 70 8.644 -3.013 10.473 1.00 0.00 N ATOM 1108 CA LYS A 70 10.023 -2.615 10.699 1.00 0.00 C ATOM 1109 C LYS A 70 10.463 -3.084 12.088 1.00 0.00 C ATOM 1110 O LYS A 70 11.653 -3.083 12.398 1.00 0.00 O ATOM 1111 CB LYS A 70 10.190 -1.111 10.477 1.00 0.00 C ATOM 1112 CG LYS A 70 9.704 -0.319 11.691 1.00 0.00 C ATOM 1113 CD LYS A 70 10.828 -0.141 12.715 1.00 0.00 C ATOM 1114 CE LYS A 70 10.697 1.200 13.442 1.00 0.00 C ATOM 1115 NZ LYS A 70 11.528 1.207 14.667 1.00 0.00 N ATOM 0 H LYS A 70 7.979 -2.241 10.428 1.00 0.00 H new ATOM 0 HA LYS A 70 10.682 -3.096 9.976 1.00 0.00 H new ATOM 0 HB2 LYS A 70 11.238 -0.883 10.286 1.00 0.00 H new ATOM 0 HB3 LYS A 70 9.631 -0.806 9.592 1.00 0.00 H new ATOM 0 HG2 LYS A 70 9.341 0.658 11.371 1.00 0.00 H new ATOM 0 HG3 LYS A 70 8.863 -0.836 12.154 1.00 0.00 H new ATOM 0 HD2 LYS A 70 10.799 -0.956 13.438 1.00 0.00 H new ATOM 0 HD3 LYS A 70 11.794 -0.195 12.213 1.00 0.00 H new ATOM 0 HE2 LYS A 70 11.005 2.010 12.781 1.00 0.00 H new ATOM 0 HE3 LYS A 70 9.654 1.380 13.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 11.428 2.123 15.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 11.216 0.446 15.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 12.525 1.057 14.411 1.00 0.00 H new ATOM 1129 N GLU A 71 9.479 -3.473 12.885 1.00 0.00 N ATOM 1130 CA GLU A 71 9.750 -3.944 14.233 1.00 0.00 C ATOM 1131 C GLU A 71 10.463 -5.297 14.190 1.00 0.00 C ATOM 1132 O GLU A 71 11.499 -5.477 14.827 1.00 0.00 O ATOM 1133 CB GLU A 71 8.461 -4.029 15.053 1.00 0.00 C ATOM 1134 CG GLU A 71 8.594 -3.252 16.365 1.00 0.00 C ATOM 1135 CD GLU A 71 9.259 -4.108 17.445 1.00 0.00 C ATOM 1136 OE1 GLU A 71 10.481 -4.337 17.314 1.00 0.00 O ATOM 1137 OE2 GLU A 71 8.530 -4.514 18.375 1.00 0.00 O ATOM 0 H GLU A 71 8.493 -3.472 12.624 1.00 0.00 H new ATOM 0 HA GLU A 71 10.407 -3.225 14.723 1.00 0.00 H new ATOM 0 HB2 GLU A 71 7.629 -3.630 14.472 1.00 0.00 H new ATOM 0 HB3 GLU A 71 8.229 -5.073 15.266 1.00 0.00 H new ATOM 0 HG2 GLU A 71 9.181 -2.349 16.199 1.00 0.00 H new ATOM 0 HG3 GLU A 71 7.608 -2.933 16.704 1.00 0.00 H new ATOM 1144 N LYS A 72 9.880 -6.214 13.431 1.00 0.00 N ATOM 1145 CA LYS A 72 10.446 -7.544 13.296 1.00 0.00 C ATOM 1146 C LYS A 72 11.193 -7.644 11.964 1.00 0.00 C ATOM 1147 O LYS A 72 12.417 -7.761 11.941 1.00 0.00 O ATOM 1148 CB LYS A 72 9.362 -8.609 13.475 1.00 0.00 C ATOM 1149 CG LYS A 72 9.851 -9.976 12.991 1.00 0.00 C ATOM 1150 CD LYS A 72 10.859 -10.577 13.974 1.00 0.00 C ATOM 1151 CE LYS A 72 12.259 -10.631 13.357 1.00 0.00 C ATOM 1152 NZ LYS A 72 12.978 -11.841 13.812 1.00 0.00 N ATOM 0 H LYS A 72 9.021 -6.061 12.903 1.00 0.00 H new ATOM 0 HA LYS A 72 11.175 -7.729 14.085 1.00 0.00 H new ATOM 0 HB2 LYS A 72 9.078 -8.671 14.526 1.00 0.00 H new ATOM 0 HB3 LYS A 72 8.469 -8.321 12.920 1.00 0.00 H new ATOM 0 HG2 LYS A 72 9.002 -10.650 12.877 1.00 0.00 H new ATOM 0 HG3 LYS A 72 10.312 -9.875 12.008 1.00 0.00 H new ATOM 0 HD2 LYS A 72 10.882 -9.981 14.887 1.00 0.00 H new ATOM 0 HD3 LYS A 72 10.543 -11.581 14.257 1.00 0.00 H new ATOM 0 HE2 LYS A 72 12.184 -10.632 12.270 1.00 0.00 H new ATOM 0 HE3 LYS A 72 12.821 -9.740 13.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 13.926 -11.863 13.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 13.066 -11.824 14.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 12.449 -12.688 13.524 1.00 0.00 H new ATOM 1166 N PHE A 73 10.423 -7.594 10.886 1.00 0.00 N ATOM 1167 CA PHE A 73 10.996 -7.676 9.554 1.00 0.00 C ATOM 1168 C PHE A 73 10.429 -6.585 8.644 1.00 0.00 C ATOM 1169 O PHE A 73 11.024 -5.518 8.503 1.00 0.00 O ATOM 1170 CB PHE A 73 10.615 -9.045 8.987 1.00 0.00 C ATOM 1171 CG PHE A 73 11.632 -10.148 9.285 1.00 0.00 C ATOM 1172 CD1 PHE A 73 12.932 -9.992 8.917 1.00 0.00 C ATOM 1173 CD2 PHE A 73 11.238 -11.285 9.920 1.00 0.00 C ATOM 1174 CE1 PHE A 73 13.878 -11.015 9.192 1.00 0.00 C ATOM 1175 CE2 PHE A 73 12.182 -12.308 10.197 1.00 0.00 C ATOM 1176 CZ PHE A 73 13.483 -12.151 9.827 1.00 0.00 C ATOM 0 H PHE A 73 9.408 -7.498 10.909 1.00 0.00 H new ATOM 0 HA PHE A 73 12.077 -7.543 9.606 1.00 0.00 H new ATOM 0 HB2 PHE A 73 9.647 -9.338 9.393 1.00 0.00 H new ATOM 0 HB3 PHE A 73 10.494 -8.959 7.907 1.00 0.00 H new ATOM 0 HD1 PHE A 73 13.245 -9.089 8.415 1.00 0.00 H new ATOM 0 HD2 PHE A 73 10.206 -11.409 10.213 1.00 0.00 H new ATOM 0 HE1 PHE A 73 14.910 -10.891 8.897 1.00 0.00 H new ATOM 0 HE2 PHE A 73 11.869 -13.210 10.701 1.00 0.00 H new ATOM 0 HZ PHE A 73 14.202 -12.929 10.038 1.00 0.00 H new ATOM 1186 N GLY A 74 9.284 -6.890 8.050 1.00 0.00 N ATOM 1187 CA GLY A 74 8.630 -5.949 7.158 1.00 0.00 C ATOM 1188 C GLY A 74 9.403 -5.811 5.845 1.00 0.00 C ATOM 1189 O GLY A 74 9.108 -4.932 5.037 1.00 0.00 O ATOM 0 H GLY A 74 8.793 -7.776 8.170 1.00 0.00 H new ATOM 0 HA2 GLY A 74 7.613 -6.284 6.952 1.00 0.00 H new ATOM 0 HA3 GLY A 74 8.553 -4.976 7.643 1.00 0.00 H new ATOM 1193 N LYS A 75 10.375 -6.694 5.671 1.00 0.00 N ATOM 1194 CA LYS A 75 11.191 -6.681 4.469 1.00 0.00 C ATOM 1195 C LYS A 75 10.927 -7.956 3.665 1.00 0.00 C ATOM 1196 O LYS A 75 11.530 -8.995 3.925 1.00 0.00 O ATOM 1197 CB LYS A 75 12.666 -6.474 4.824 1.00 0.00 C ATOM 1198 CG LYS A 75 12.831 -5.335 5.833 1.00 0.00 C ATOM 1199 CD LYS A 75 14.132 -5.489 6.624 1.00 0.00 C ATOM 1200 CE LYS A 75 14.439 -4.222 7.427 1.00 0.00 C ATOM 1201 NZ LYS A 75 14.211 -4.457 8.870 1.00 0.00 N ATOM 0 H LYS A 75 10.616 -7.423 6.342 1.00 0.00 H new ATOM 0 HA LYS A 75 10.918 -5.839 3.833 1.00 0.00 H new ATOM 0 HB2 LYS A 75 13.077 -7.395 5.238 1.00 0.00 H new ATOM 0 HB3 LYS A 75 13.233 -6.250 3.921 1.00 0.00 H new ATOM 0 HG2 LYS A 75 12.830 -4.378 5.311 1.00 0.00 H new ATOM 0 HG3 LYS A 75 11.983 -5.325 6.518 1.00 0.00 H new ATOM 0 HD2 LYS A 75 14.053 -6.341 7.299 1.00 0.00 H new ATOM 0 HD3 LYS A 75 14.955 -5.699 5.941 1.00 0.00 H new ATOM 0 HE2 LYS A 75 15.473 -3.920 7.260 1.00 0.00 H new ATOM 0 HE3 LYS A 75 13.808 -3.403 7.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 14.325 -3.563 9.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 13.248 -4.821 9.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 14.900 -5.152 9.222 1.00 0.00 H new ATOM 1215 N PRO A 76 9.999 -7.829 2.679 1.00 0.00 N ATOM 1216 CA PRO A 76 9.646 -8.958 1.835 1.00 0.00 C ATOM 1217 C PRO A 76 10.746 -9.241 0.810 1.00 0.00 C ATOM 1218 O PRO A 76 11.721 -8.497 0.718 1.00 0.00 O ATOM 1219 CB PRO A 76 8.323 -8.572 1.194 1.00 0.00 C ATOM 1220 CG PRO A 76 8.215 -7.062 1.337 1.00 0.00 C ATOM 1221 CD PRO A 76 9.263 -6.614 2.342 1.00 0.00 C ATOM 0 HA PRO A 76 9.546 -9.887 2.396 1.00 0.00 H new ATOM 0 HB2 PRO A 76 8.296 -8.868 0.145 1.00 0.00 H new ATOM 0 HB3 PRO A 76 7.489 -9.072 1.688 1.00 0.00 H new ATOM 0 HG2 PRO A 76 8.375 -6.575 0.375 1.00 0.00 H new ATOM 0 HG3 PRO A 76 7.217 -6.781 1.674 1.00 0.00 H new ATOM 0 HD2 PRO A 76 9.922 -5.858 1.916 1.00 0.00 H new ATOM 0 HD3 PRO A 76 8.801 -6.173 3.225 1.00 0.00 H new ATOM 1229 N ASN A 77 10.554 -10.322 0.066 1.00 0.00 N ATOM 1230 CA ASN A 77 11.518 -10.713 -0.947 1.00 0.00 C ATOM 1231 C ASN A 77 11.859 -9.500 -1.816 1.00 0.00 C ATOM 1232 O ASN A 77 10.972 -8.744 -2.209 1.00 0.00 O ATOM 1233 CB ASN A 77 10.948 -11.802 -1.859 1.00 0.00 C ATOM 1234 CG ASN A 77 10.180 -12.848 -1.049 1.00 0.00 C ATOM 1235 OD1 ASN A 77 8.929 -12.500 -0.764 1.00 0.00 O flip ATOM 1236 ND2 ASN A 77 10.691 -13.901 -0.705 1.00 0.00 N flip ATOM 0 H ASN A 77 9.745 -10.938 0.146 1.00 0.00 H new ATOM 0 HA ASN A 77 12.404 -11.094 -0.440 1.00 0.00 H new ATOM 0 HB2 ASN A 77 10.286 -11.352 -2.599 1.00 0.00 H new ATOM 0 HB3 ASN A 77 11.758 -12.284 -2.407 1.00 0.00 H new ATOM 0 HD21 ASN A 77 11.658 -14.105 -0.958 1.00 0.00 H new ATOM 0 HD22 ASN A 77 10.151 -14.577 -0.164 1.00 0.00 H new ATOM 1243 N LYS A 78 13.146 -9.352 -2.091 1.00 0.00 N ATOM 1244 CA LYS A 78 13.615 -8.245 -2.906 1.00 0.00 C ATOM 1245 C LYS A 78 13.629 -8.668 -4.376 1.00 0.00 C ATOM 1246 O LYS A 78 14.622 -9.209 -4.860 1.00 0.00 O ATOM 1247 CB LYS A 78 14.969 -7.741 -2.398 1.00 0.00 C ATOM 1248 CG LYS A 78 15.329 -6.399 -3.038 1.00 0.00 C ATOM 1249 CD LYS A 78 15.139 -5.250 -2.046 1.00 0.00 C ATOM 1250 CE LYS A 78 16.458 -4.518 -1.794 1.00 0.00 C ATOM 1251 NZ LYS A 78 16.893 -3.801 -3.013 1.00 0.00 N ATOM 0 H LYS A 78 13.879 -9.981 -1.764 1.00 0.00 H new ATOM 0 HA LYS A 78 12.934 -7.398 -2.825 1.00 0.00 H new ATOM 0 HB2 LYS A 78 14.938 -7.634 -1.314 1.00 0.00 H new ATOM 0 HB3 LYS A 78 15.742 -8.475 -2.624 1.00 0.00 H new ATOM 0 HG2 LYS A 78 16.364 -6.421 -3.380 1.00 0.00 H new ATOM 0 HG3 LYS A 78 14.706 -6.232 -3.917 1.00 0.00 H new ATOM 0 HD2 LYS A 78 14.399 -4.550 -2.433 1.00 0.00 H new ATOM 0 HD3 LYS A 78 14.749 -5.638 -1.105 1.00 0.00 H new ATOM 0 HE2 LYS A 78 16.338 -3.812 -0.973 1.00 0.00 H new ATOM 0 HE3 LYS A 78 17.225 -5.231 -1.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 17.634 -3.115 -2.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 17.269 -4.484 -3.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 16.082 -3.300 -3.429 1.00 0.00 H new ATOM 1265 N ARG A 79 12.516 -8.407 -5.045 1.00 0.00 N ATOM 1266 CA ARG A 79 12.388 -8.754 -6.449 1.00 0.00 C ATOM 1267 C ARG A 79 12.610 -7.519 -7.325 1.00 0.00 C ATOM 1268 O ARG A 79 12.942 -6.447 -6.820 1.00 0.00 O ATOM 1269 CB ARG A 79 11.006 -9.340 -6.747 1.00 0.00 C ATOM 1270 CG ARG A 79 10.835 -10.707 -6.081 1.00 0.00 C ATOM 1271 CD ARG A 79 11.390 -11.823 -6.970 1.00 0.00 C ATOM 1272 NE ARG A 79 12.034 -12.861 -6.133 1.00 0.00 N ATOM 1273 CZ ARG A 79 12.356 -14.085 -6.572 1.00 0.00 C ATOM 1274 NH1 ARG A 79 12.097 -14.433 -7.841 1.00 0.00 N ATOM 1275 NH2 ARG A 79 12.938 -14.963 -5.743 1.00 0.00 N ATOM 0 H ARG A 79 11.694 -7.959 -4.640 1.00 0.00 H new ATOM 0 HA ARG A 79 13.146 -9.504 -6.675 1.00 0.00 H new ATOM 0 HB2 ARG A 79 10.234 -8.659 -6.391 1.00 0.00 H new ATOM 0 HB3 ARG A 79 10.873 -9.437 -7.824 1.00 0.00 H new ATOM 0 HG2 ARG A 79 11.348 -10.714 -5.119 1.00 0.00 H new ATOM 0 HG3 ARG A 79 9.779 -10.888 -5.880 1.00 0.00 H new ATOM 0 HD2 ARG A 79 10.586 -12.265 -7.558 1.00 0.00 H new ATOM 0 HD3 ARG A 79 12.112 -11.413 -7.675 1.00 0.00 H new ATOM 0 HE ARG A 79 12.245 -12.630 -5.162 1.00 0.00 H new ATOM 0 HH11 ARG A 79 11.655 -13.765 -8.473 1.00 0.00 H new ATOM 0 HH12 ARG A 79 12.343 -15.365 -8.174 1.00 0.00 H new ATOM 0 HH21 ARG A 79 13.136 -14.699 -4.778 1.00 0.00 H new ATOM 0 HH22 ARG A 79 13.183 -15.895 -6.077 1.00 0.00 H new ATOM 1289 N LYS A 80 12.421 -7.711 -8.622 1.00 0.00 N ATOM 1290 CA LYS A 80 12.597 -6.625 -9.572 1.00 0.00 C ATOM 1291 C LYS A 80 11.499 -5.582 -9.358 1.00 0.00 C ATOM 1292 O LYS A 80 11.768 -4.382 -9.360 1.00 0.00 O ATOM 1293 CB LYS A 80 12.658 -7.169 -11.001 1.00 0.00 C ATOM 1294 CG LYS A 80 13.650 -6.371 -11.849 1.00 0.00 C ATOM 1295 CD LYS A 80 12.919 -5.401 -12.780 1.00 0.00 C ATOM 1296 CE LYS A 80 12.240 -6.149 -13.929 1.00 0.00 C ATOM 1297 NZ LYS A 80 13.080 -6.097 -15.148 1.00 0.00 N ATOM 0 H LYS A 80 12.148 -8.602 -9.038 1.00 0.00 H new ATOM 0 HA LYS A 80 13.550 -6.123 -9.405 1.00 0.00 H new ATOM 0 HB2 LYS A 80 12.952 -8.218 -10.982 1.00 0.00 H new ATOM 0 HB3 LYS A 80 11.668 -7.123 -11.454 1.00 0.00 H new ATOM 0 HG2 LYS A 80 14.326 -5.816 -11.198 1.00 0.00 H new ATOM 0 HG3 LYS A 80 14.263 -7.054 -12.438 1.00 0.00 H new ATOM 0 HD2 LYS A 80 12.173 -4.841 -12.215 1.00 0.00 H new ATOM 0 HD3 LYS A 80 13.626 -4.675 -13.182 1.00 0.00 H new ATOM 0 HE2 LYS A 80 12.066 -7.187 -13.643 1.00 0.00 H new ATOM 0 HE3 LYS A 80 11.265 -5.707 -14.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 12.605 -6.609 -15.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 13.224 -5.106 -15.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 14.001 -6.539 -14.954 1.00 0.00 H new ATOM 1311 N GLY A 81 10.283 -6.077 -9.175 1.00 0.00 N ATOM 1312 CA GLY A 81 9.143 -5.202 -8.959 1.00 0.00 C ATOM 1313 C GLY A 81 9.174 -4.598 -7.553 1.00 0.00 C ATOM 1314 O GLY A 81 8.408 -3.685 -7.249 1.00 0.00 O ATOM 0 H GLY A 81 10.063 -7.073 -9.172 1.00 0.00 H new ATOM 0 HA2 GLY A 81 9.147 -4.404 -9.702 1.00 0.00 H new ATOM 0 HA3 GLY A 81 8.218 -5.762 -9.098 1.00 0.00 H new ATOM 1318 N PHE A 82 10.069 -5.131 -6.735 1.00 0.00 N ATOM 1319 CA PHE A 82 10.211 -4.656 -5.369 1.00 0.00 C ATOM 1320 C PHE A 82 11.067 -3.389 -5.315 1.00 0.00 C ATOM 1321 O PHE A 82 10.705 -2.419 -4.652 1.00 0.00 O ATOM 1322 CB PHE A 82 10.911 -5.764 -4.580 1.00 0.00 C ATOM 1323 CG PHE A 82 11.164 -5.418 -3.111 1.00 0.00 C ATOM 1324 CD1 PHE A 82 12.024 -4.415 -2.789 1.00 0.00 C ATOM 1325 CD2 PHE A 82 10.530 -6.112 -2.129 1.00 0.00 C ATOM 1326 CE1 PHE A 82 12.260 -4.093 -1.425 1.00 0.00 C ATOM 1327 CE2 PHE A 82 10.765 -5.790 -0.766 1.00 0.00 C ATOM 1328 CZ PHE A 82 11.626 -4.788 -0.443 1.00 0.00 C ATOM 0 H PHE A 82 10.703 -5.887 -6.992 1.00 0.00 H new ATOM 0 HA PHE A 82 9.231 -4.418 -4.955 1.00 0.00 H new ATOM 0 HB2 PHE A 82 10.306 -6.669 -4.630 1.00 0.00 H new ATOM 0 HB3 PHE A 82 11.864 -5.990 -5.059 1.00 0.00 H new ATOM 0 HD1 PHE A 82 12.527 -3.863 -3.569 1.00 0.00 H new ATOM 0 HD2 PHE A 82 9.847 -6.909 -2.386 1.00 0.00 H new ATOM 0 HE1 PHE A 82 12.943 -3.296 -1.168 1.00 0.00 H new ATOM 0 HE2 PHE A 82 10.260 -6.341 0.014 1.00 0.00 H new ATOM 0 HZ PHE A 82 11.806 -4.544 0.594 1.00 0.00 H new ATOM 1338 N SER A 83 12.187 -3.441 -6.022 1.00 0.00 N ATOM 1339 CA SER A 83 13.098 -2.309 -6.062 1.00 0.00 C ATOM 1340 C SER A 83 12.434 -1.127 -6.771 1.00 0.00 C ATOM 1341 O SER A 83 12.345 -0.034 -6.213 1.00 0.00 O ATOM 1342 CB SER A 83 14.407 -2.680 -6.763 1.00 0.00 C ATOM 1343 OG SER A 83 15.547 -2.239 -6.033 1.00 0.00 O ATOM 0 H SER A 83 12.484 -4.248 -6.571 1.00 0.00 H new ATOM 0 HA SER A 83 13.334 -2.024 -5.037 1.00 0.00 H new ATOM 0 HB2 SER A 83 14.455 -3.761 -6.892 1.00 0.00 H new ATOM 0 HB3 SER A 83 14.422 -2.239 -7.760 1.00 0.00 H new ATOM 0 HG SER A 83 16.362 -2.496 -6.512 1.00 0.00 H new ATOM 1349 N GLU A 84 11.984 -1.387 -7.990 1.00 0.00 N ATOM 1350 CA GLU A 84 11.329 -0.357 -8.781 1.00 0.00 C ATOM 1351 C GLU A 84 9.967 -0.010 -8.176 1.00 0.00 C ATOM 1352 O GLU A 84 9.470 1.101 -8.357 1.00 0.00 O ATOM 1353 CB GLU A 84 11.187 -0.795 -10.240 1.00 0.00 C ATOM 1354 CG GLU A 84 9.861 -1.525 -10.465 1.00 0.00 C ATOM 1355 CD GLU A 84 9.755 -2.035 -11.905 1.00 0.00 C ATOM 1356 OE1 GLU A 84 9.302 -1.238 -12.756 1.00 0.00 O ATOM 1357 OE2 GLU A 84 10.128 -3.208 -12.122 1.00 0.00 O ATOM 0 H GLU A 84 12.060 -2.295 -8.449 1.00 0.00 H new ATOM 0 HA GLU A 84 11.950 0.538 -8.764 1.00 0.00 H new ATOM 0 HB2 GLU A 84 11.242 0.076 -10.892 1.00 0.00 H new ATOM 0 HB3 GLU A 84 12.017 -1.448 -10.510 1.00 0.00 H new ATOM 0 HG2 GLU A 84 9.780 -2.362 -9.772 1.00 0.00 H new ATOM 0 HG3 GLU A 84 9.030 -0.853 -10.251 1.00 0.00 H new ATOM 1364 N GLY A 85 9.402 -0.980 -7.473 1.00 0.00 N ATOM 1365 CA GLY A 85 8.107 -0.790 -6.841 1.00 0.00 C ATOM 1366 C GLY A 85 8.206 0.192 -5.671 1.00 0.00 C ATOM 1367 O GLY A 85 7.513 1.207 -5.649 1.00 0.00 O ATOM 0 H GLY A 85 9.817 -1.900 -7.327 1.00 0.00 H new ATOM 0 HA2 GLY A 85 7.392 -0.417 -7.574 1.00 0.00 H new ATOM 0 HA3 GLY A 85 7.728 -1.748 -6.485 1.00 0.00 H new ATOM 1371 N LEU A 86 9.075 -0.147 -4.730 1.00 0.00 N ATOM 1372 CA LEU A 86 9.274 0.692 -3.560 1.00 0.00 C ATOM 1373 C LEU A 86 9.715 2.087 -4.007 1.00 0.00 C ATOM 1374 O LEU A 86 9.421 3.079 -3.341 1.00 0.00 O ATOM 1375 CB LEU A 86 10.242 0.026 -2.581 1.00 0.00 C ATOM 1376 CG LEU A 86 11.127 0.971 -1.765 1.00 0.00 C ATOM 1377 CD1 LEU A 86 12.234 1.570 -2.633 1.00 0.00 C ATOM 1378 CD2 LEU A 86 10.290 2.050 -1.077 1.00 0.00 C ATOM 0 H LEU A 86 9.649 -0.990 -4.754 1.00 0.00 H new ATOM 0 HA LEU A 86 8.338 0.812 -3.015 1.00 0.00 H new ATOM 0 HB2 LEU A 86 9.664 -0.586 -1.889 1.00 0.00 H new ATOM 0 HB3 LEU A 86 10.887 -0.650 -3.142 1.00 0.00 H new ATOM 0 HG LEU A 86 11.612 0.392 -0.979 1.00 0.00 H new ATOM 0 HD11 LEU A 86 12.849 2.238 -2.029 1.00 0.00 H new ATOM 0 HD12 LEU A 86 12.855 0.769 -3.035 1.00 0.00 H new ATOM 0 HD13 LEU A 86 11.789 2.131 -3.455 1.00 0.00 H new ATOM 0 HD21 LEU A 86 10.944 2.708 -0.504 1.00 0.00 H new ATOM 0 HD22 LEU A 86 9.758 2.633 -1.829 1.00 0.00 H new ATOM 0 HD23 LEU A 86 9.571 1.580 -0.407 1.00 0.00 H new ATOM 1390 N TRP A 87 10.412 2.120 -5.132 1.00 0.00 N ATOM 1391 CA TRP A 87 10.898 3.378 -5.677 1.00 0.00 C ATOM 1392 C TRP A 87 9.759 4.019 -6.471 1.00 0.00 C ATOM 1393 O TRP A 87 9.764 5.226 -6.707 1.00 0.00 O ATOM 1394 CB TRP A 87 12.162 3.163 -6.511 1.00 0.00 C ATOM 1395 CG TRP A 87 13.378 3.944 -6.010 1.00 0.00 C ATOM 1396 CD1 TRP A 87 13.701 5.219 -6.266 1.00 0.00 C ATOM 1397 CD2 TRP A 87 14.425 3.447 -5.151 1.00 0.00 C ATOM 1398 NE1 TRP A 87 14.876 5.578 -5.638 1.00 0.00 N ATOM 1399 CE2 TRP A 87 15.331 4.466 -4.938 1.00 0.00 C ATOM 1400 CE3 TRP A 87 14.602 2.177 -4.574 1.00 0.00 C ATOM 1401 CZ2 TRP A 87 16.476 4.321 -4.146 1.00 0.00 C ATOM 1402 CZ3 TRP A 87 15.751 2.050 -3.784 1.00 0.00 C ATOM 1403 CH2 TRP A 87 16.672 3.066 -3.560 1.00 0.00 C ATOM 0 H TRP A 87 10.653 1.296 -5.683 1.00 0.00 H new ATOM 0 HA TRP A 87 11.191 4.058 -4.877 1.00 0.00 H new ATOM 0 HB2 TRP A 87 12.404 2.100 -6.519 1.00 0.00 H new ATOM 0 HB3 TRP A 87 11.958 3.451 -7.542 1.00 0.00 H new ATOM 0 HD1 TRP A 87 13.116 5.882 -6.886 1.00 0.00 H new ATOM 0 HE1 TRP A 87 15.328 6.491 -5.680 1.00 0.00 H new ATOM 0 HE3 TRP A 87 13.907 1.365 -4.728 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 17.171 5.134 -3.995 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 15.934 1.094 -3.315 1.00 0.00 H new ATOM 0 HH2 TRP A 87 17.535 2.888 -2.936 1.00 0.00 H new ATOM 1414 N GLU A 88 8.808 3.182 -6.863 1.00 0.00 N ATOM 1415 CA GLU A 88 7.664 3.654 -7.627 1.00 0.00 C ATOM 1416 C GLU A 88 6.710 4.436 -6.724 1.00 0.00 C ATOM 1417 O GLU A 88 5.946 5.274 -7.201 1.00 0.00 O ATOM 1418 CB GLU A 88 6.944 2.489 -8.308 1.00 0.00 C ATOM 1419 CG GLU A 88 7.274 2.437 -9.801 1.00 0.00 C ATOM 1420 CD GLU A 88 6.024 2.129 -10.629 1.00 0.00 C ATOM 1421 OE1 GLU A 88 5.638 0.941 -10.652 1.00 0.00 O ATOM 1422 OE2 GLU A 88 5.484 3.089 -11.219 1.00 0.00 O ATOM 0 H GLU A 88 8.806 2.181 -6.666 1.00 0.00 H new ATOM 0 HA GLU A 88 8.023 4.324 -8.409 1.00 0.00 H new ATOM 0 HB2 GLU A 88 7.235 1.551 -7.835 1.00 0.00 H new ATOM 0 HB3 GLU A 88 5.867 2.594 -8.173 1.00 0.00 H new ATOM 0 HG2 GLU A 88 7.698 3.390 -10.117 1.00 0.00 H new ATOM 0 HG3 GLU A 88 8.032 1.675 -9.983 1.00 0.00 H new ATOM 1429 N ILE A 89 6.785 4.136 -5.436 1.00 0.00 N ATOM 1430 CA ILE A 89 5.935 4.801 -4.462 1.00 0.00 C ATOM 1431 C ILE A 89 6.722 5.933 -3.795 1.00 0.00 C ATOM 1432 O ILE A 89 6.211 7.038 -3.634 1.00 0.00 O ATOM 1433 CB ILE A 89 5.358 3.789 -3.473 1.00 0.00 C ATOM 1434 CG1 ILE A 89 4.745 4.492 -2.261 1.00 0.00 C ATOM 1435 CG2 ILE A 89 6.412 2.758 -3.065 1.00 0.00 C ATOM 1436 CD1 ILE A 89 5.801 4.751 -1.185 1.00 0.00 C ATOM 0 H ILE A 89 7.421 3.442 -5.044 1.00 0.00 H new ATOM 0 HA ILE A 89 5.075 5.255 -4.954 1.00 0.00 H new ATOM 0 HB ILE A 89 4.554 3.248 -3.971 1.00 0.00 H new ATOM 0 HG12 ILE A 89 4.298 5.436 -2.572 1.00 0.00 H new ATOM 0 HG13 ILE A 89 3.943 3.880 -1.848 1.00 0.00 H new ATOM 0 HG21 ILE A 89 5.975 2.050 -2.361 1.00 0.00 H new ATOM 0 HG22 ILE A 89 6.759 2.223 -3.949 1.00 0.00 H new ATOM 0 HG23 ILE A 89 7.254 3.265 -2.594 1.00 0.00 H new ATOM 0 HD11 ILE A 89 5.339 5.252 -0.334 1.00 0.00 H new ATOM 0 HD12 ILE A 89 6.229 3.803 -0.859 1.00 0.00 H new ATOM 0 HD13 ILE A 89 6.589 5.383 -1.594 1.00 0.00 H new ATOM 1448 N GLU A 90 7.954 5.614 -3.424 1.00 0.00 N ATOM 1449 CA GLU A 90 8.816 6.589 -2.778 1.00 0.00 C ATOM 1450 C GLU A 90 9.329 7.605 -3.800 1.00 0.00 C ATOM 1451 O GLU A 90 9.607 8.752 -3.454 1.00 0.00 O ATOM 1452 CB GLU A 90 9.979 5.901 -2.059 1.00 0.00 C ATOM 1453 CG GLU A 90 9.611 5.574 -0.611 1.00 0.00 C ATOM 1454 CD GLU A 90 10.510 6.332 0.369 1.00 0.00 C ATOM 1455 OE1 GLU A 90 11.739 6.304 0.147 1.00 0.00 O ATOM 1456 OE2 GLU A 90 9.947 6.923 1.316 1.00 0.00 O ATOM 0 H GLU A 90 8.375 4.695 -3.559 1.00 0.00 H new ATOM 0 HA GLU A 90 8.231 7.121 -2.028 1.00 0.00 H new ATOM 0 HB2 GLU A 90 10.246 4.985 -2.586 1.00 0.00 H new ATOM 0 HB3 GLU A 90 10.857 6.547 -2.078 1.00 0.00 H new ATOM 0 HG2 GLU A 90 8.568 5.835 -0.429 1.00 0.00 H new ATOM 0 HG3 GLU A 90 9.706 4.501 -0.441 1.00 0.00 H new ATOM 1463 N ASN A 91 9.436 7.146 -5.039 1.00 0.00 N ATOM 1464 CA ASN A 91 9.911 8.002 -6.115 1.00 0.00 C ATOM 1465 C ASN A 91 9.004 7.828 -7.335 1.00 0.00 C ATOM 1466 O ASN A 91 9.461 7.407 -8.397 1.00 0.00 O ATOM 1467 CB ASN A 91 11.336 7.629 -6.527 1.00 0.00 C ATOM 1468 CG ASN A 91 12.225 7.419 -5.300 1.00 0.00 C ATOM 1469 OD1 ASN A 91 11.806 6.452 -4.489 1.00 0.00 O flip ATOM 1470 ND2 ASN A 91 13.224 8.091 -5.101 1.00 0.00 N flip ATOM 0 H ASN A 91 9.202 6.194 -5.322 1.00 0.00 H new ATOM 0 HA ASN A 91 9.898 9.032 -5.759 1.00 0.00 H new ATOM 0 HB2 ASN A 91 11.318 6.719 -7.127 1.00 0.00 H new ATOM 0 HB3 ASN A 91 11.755 8.416 -7.153 1.00 0.00 H new ATOM 0 HD21 ASN A 91 13.490 8.819 -5.765 1.00 0.00 H new ATOM 0 HD22 ASN A 91 13.793 7.925 -4.271 1.00 0.00 H new ATOM 1477 N ASN A 92 7.736 8.161 -7.142 1.00 0.00 N ATOM 1478 CA ASN A 92 6.762 8.046 -8.214 1.00 0.00 C ATOM 1479 C ASN A 92 7.146 8.996 -9.350 1.00 0.00 C ATOM 1480 O ASN A 92 7.689 10.072 -9.106 1.00 0.00 O ATOM 1481 CB ASN A 92 5.362 8.430 -7.730 1.00 0.00 C ATOM 1482 CG ASN A 92 5.410 9.683 -6.854 1.00 0.00 C ATOM 1483 OD1 ASN A 92 4.301 9.892 -6.150 1.00 0.00 O flip ATOM 1484 ND2 ASN A 92 6.388 10.410 -6.819 1.00 0.00 N flip ATOM 0 H ASN A 92 7.361 8.510 -6.260 1.00 0.00 H new ATOM 0 HA ASN A 92 6.755 7.010 -8.553 1.00 0.00 H new ATOM 0 HB2 ASN A 92 4.712 8.606 -8.587 1.00 0.00 H new ATOM 0 HB3 ASN A 92 4.929 7.604 -7.166 1.00 0.00 H new ATOM 0 HD21 ASN A 92 7.207 10.191 -7.386 1.00 0.00 H new ATOM 0 HD22 ASN A 92 6.387 11.238 -6.223 1.00 0.00 H new ATOM 1491 N PRO A 93 6.840 8.553 -10.600 1.00 0.00 N ATOM 1492 CA PRO A 93 7.147 9.352 -11.772 1.00 0.00 C ATOM 1493 C PRO A 93 6.170 10.521 -11.912 1.00 0.00 C ATOM 1494 O PRO A 93 6.540 11.590 -12.395 1.00 0.00 O ATOM 1495 CB PRO A 93 7.080 8.380 -12.939 1.00 0.00 C ATOM 1496 CG PRO A 93 6.287 7.184 -12.439 1.00 0.00 C ATOM 1497 CD PRO A 93 6.197 7.284 -10.925 1.00 0.00 C ATOM 0 HA PRO A 93 8.130 9.820 -11.715 1.00 0.00 H new ATOM 0 HB2 PRO A 93 6.595 8.838 -13.801 1.00 0.00 H new ATOM 0 HB3 PRO A 93 8.079 8.081 -13.257 1.00 0.00 H new ATOM 0 HG2 PRO A 93 5.291 7.175 -12.881 1.00 0.00 H new ATOM 0 HG3 PRO A 93 6.774 6.254 -12.732 1.00 0.00 H new ATOM 0 HD2 PRO A 93 5.161 7.267 -10.588 1.00 0.00 H new ATOM 0 HD3 PRO A 93 6.703 6.448 -10.442 1.00 0.00 H new ATOM 1505 N THR A 94 4.941 10.279 -11.478 1.00 0.00 N ATOM 1506 CA THR A 94 3.909 11.297 -11.548 1.00 0.00 C ATOM 1507 C THR A 94 3.263 11.497 -10.176 1.00 0.00 C ATOM 1508 O THR A 94 2.313 10.796 -9.825 1.00 0.00 O ATOM 1509 CB THR A 94 2.912 10.888 -12.635 1.00 0.00 C ATOM 1510 OG1 THR A 94 2.033 12.004 -12.737 1.00 0.00 O ATOM 1511 CG2 THR A 94 2.005 9.738 -12.195 1.00 0.00 C ATOM 0 H THR A 94 4.638 9.392 -11.077 1.00 0.00 H new ATOM 0 HA THR A 94 4.328 12.266 -11.820 1.00 0.00 H new ATOM 0 HB THR A 94 3.455 10.598 -13.535 1.00 0.00 H new ATOM 0 HG1 THR A 94 1.355 11.825 -13.421 1.00 0.00 H new ATOM 0 HG21 THR A 94 1.317 9.487 -13.003 1.00 0.00 H new ATOM 0 HG22 THR A 94 2.614 8.867 -11.953 1.00 0.00 H new ATOM 0 HG23 THR A 94 1.437 10.039 -11.315 1.00 0.00 H new ATOM 1519 N VAL A 95 3.802 12.454 -9.436 1.00 0.00 N ATOM 1520 CA VAL A 95 3.290 12.754 -8.110 1.00 0.00 C ATOM 1521 C VAL A 95 2.056 13.651 -8.235 1.00 0.00 C ATOM 1522 O VAL A 95 1.579 13.906 -9.339 1.00 0.00 O ATOM 1523 CB VAL A 95 4.394 13.373 -7.250 1.00 0.00 C ATOM 1524 CG1 VAL A 95 4.512 14.877 -7.510 1.00 0.00 C ATOM 1525 CG2 VAL A 95 4.158 13.089 -5.766 1.00 0.00 C ATOM 0 H VAL A 95 4.589 13.032 -9.730 1.00 0.00 H new ATOM 0 HA VAL A 95 2.978 11.840 -7.606 1.00 0.00 H new ATOM 0 HB VAL A 95 5.339 12.909 -7.532 1.00 0.00 H new ATOM 0 HG11 VAL A 95 5.303 15.293 -6.887 1.00 0.00 H new ATOM 0 HG12 VAL A 95 4.750 15.047 -8.560 1.00 0.00 H new ATOM 0 HG13 VAL A 95 3.567 15.363 -7.269 1.00 0.00 H new ATOM 0 HG21 VAL A 95 4.957 13.540 -5.178 1.00 0.00 H new ATOM 0 HG22 VAL A 95 3.201 13.512 -5.462 1.00 0.00 H new ATOM 0 HG23 VAL A 95 4.148 12.012 -5.599 1.00 0.00 H new ATOM 1535 N LYS A 96 1.574 14.102 -7.086 1.00 0.00 N ATOM 1536 CA LYS A 96 0.405 14.965 -7.054 1.00 0.00 C ATOM 1537 C LYS A 96 0.078 15.318 -5.602 1.00 0.00 C ATOM 1538 O LYS A 96 -0.340 16.438 -5.310 1.00 0.00 O ATOM 1539 CB LYS A 96 -0.760 14.318 -7.806 1.00 0.00 C ATOM 1540 CG LYS A 96 -1.011 12.894 -7.306 1.00 0.00 C ATOM 1541 CD LYS A 96 -2.510 12.598 -7.228 1.00 0.00 C ATOM 1542 CE LYS A 96 -2.769 11.252 -6.545 1.00 0.00 C ATOM 1543 NZ LYS A 96 -4.222 11.030 -6.372 1.00 0.00 N ATOM 0 H LYS A 96 1.971 13.886 -6.171 1.00 0.00 H new ATOM 0 HA LYS A 96 0.609 15.901 -7.573 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -1.661 14.918 -7.674 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -0.543 14.299 -8.874 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -0.530 12.180 -7.974 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -0.559 12.765 -6.322 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -3.013 13.392 -6.676 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -2.935 12.588 -8.232 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -2.340 10.446 -7.141 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -2.273 11.229 -5.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -4.380 10.113 -5.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -4.622 11.789 -5.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -4.687 11.031 -7.302 1.00 0.00 H new ATOM 1557 N ALA A 97 0.281 14.342 -4.729 1.00 0.00 N ATOM 1558 CA ALA A 97 0.013 14.537 -3.314 1.00 0.00 C ATOM 1559 C ALA A 97 0.591 15.882 -2.869 1.00 0.00 C ATOM 1560 O ALA A 97 1.792 16.114 -2.989 1.00 0.00 O ATOM 1561 CB ALA A 97 0.589 13.362 -2.519 1.00 0.00 C ATOM 0 H ALA A 97 0.628 13.415 -4.974 1.00 0.00 H new ATOM 0 HA ALA A 97 -1.061 14.563 -3.127 1.00 0.00 H new ATOM 0 HB1 ALA A 97 0.388 13.508 -1.458 1.00 0.00 H new ATOM 0 HB2 ALA A 97 0.124 12.434 -2.852 1.00 0.00 H new ATOM 0 HB3 ALA A 97 1.666 13.306 -2.680 1.00 0.00 H new ATOM 1567 N SER A 98 -0.292 16.731 -2.365 1.00 0.00 N ATOM 1568 CA SER A 98 0.116 18.046 -1.902 1.00 0.00 C ATOM 1569 C SER A 98 1.447 17.948 -1.152 1.00 0.00 C ATOM 1570 O SER A 98 1.674 16.997 -0.405 1.00 0.00 O ATOM 1571 CB SER A 98 -0.955 18.671 -1.004 1.00 0.00 C ATOM 1572 OG SER A 98 -0.822 18.254 0.352 1.00 0.00 O ATOM 0 H SER A 98 -1.288 16.534 -2.267 1.00 0.00 H new ATOM 0 HA SER A 98 0.243 18.690 -2.772 1.00 0.00 H new ATOM 0 HB2 SER A 98 -0.885 19.757 -1.058 1.00 0.00 H new ATOM 0 HB3 SER A 98 -1.943 18.396 -1.373 1.00 0.00 H new ATOM 0 HG SER A 98 -1.522 18.675 0.894 1.00 0.00 H new ATOM 1578 N GLY A 99 2.290 18.944 -1.377 1.00 0.00 N ATOM 1579 CA GLY A 99 3.593 18.983 -0.732 1.00 0.00 C ATOM 1580 C GLY A 99 4.700 19.263 -1.749 1.00 0.00 C ATOM 1581 O GLY A 99 5.231 20.373 -1.803 1.00 0.00 O ATOM 0 H GLY A 99 2.097 19.731 -1.997 1.00 0.00 H new ATOM 0 HA2 GLY A 99 3.598 19.754 0.038 1.00 0.00 H new ATOM 0 HA3 GLY A 99 3.784 18.033 -0.233 1.00 0.00 H new ATOM 1585 N TYR A 100 5.016 18.242 -2.531 1.00 0.00 N ATOM 1586 CA TYR A 100 6.051 18.365 -3.543 1.00 0.00 C ATOM 1587 C TYR A 100 7.221 19.209 -3.031 1.00 0.00 C ATOM 1588 O TYR A 100 8.329 18.703 -2.863 1.00 0.00 O ATOM 1589 CB TYR A 100 5.400 19.084 -4.726 1.00 0.00 C ATOM 1590 CG TYR A 100 6.091 20.391 -5.118 1.00 0.00 C ATOM 1591 CD1 TYR A 100 7.418 20.384 -5.493 1.00 0.00 C ATOM 1592 CD2 TYR A 100 5.385 21.578 -5.097 1.00 0.00 C ATOM 1593 CE1 TYR A 100 8.070 21.615 -5.862 1.00 0.00 C ATOM 1594 CE2 TYR A 100 6.036 22.808 -5.464 1.00 0.00 C ATOM 1595 CZ TYR A 100 7.346 22.766 -5.828 1.00 0.00 C ATOM 1596 OH TYR A 100 7.960 23.929 -6.177 1.00 0.00 O ATOM 0 H TYR A 100 4.573 17.324 -2.484 1.00 0.00 H new ATOM 0 HA TYR A 100 6.442 17.384 -3.813 1.00 0.00 H new ATOM 0 HB2 TYR A 100 5.396 18.415 -5.587 1.00 0.00 H new ATOM 0 HB3 TYR A 100 4.359 19.295 -4.481 1.00 0.00 H new ATOM 0 HD1 TYR A 100 7.969 19.455 -5.510 1.00 0.00 H new ATOM 0 HD2 TYR A 100 4.345 21.583 -4.805 1.00 0.00 H new ATOM 0 HE1 TYR A 100 9.108 21.623 -6.158 1.00 0.00 H new ATOM 0 HE2 TYR A 100 5.496 23.743 -5.451 1.00 0.00 H new ATOM 0 HH TYR A 100 7.322 24.670 -6.107 1.00 0.00 H new TER 1606 TYR A 100