USER MOD reduce.3.24.130724 H: found=0, std=0, add=608, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 603 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 38:sc= 0.524 USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -1.86 K(o=-1.9,f=-3.8!) USER MOD Single : A 20 CYS SG : rot -129:sc= 0.603 USER MOD Single : A 22 THR OG1 : rot 168:sc= 1.66 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 CYS SG : rot 180:sc= -0.0744 USER MOD Single : A 26 HIS : no HD1:sc= -2.4! C(o=-2.4!,f=-3.4!) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.0349 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 CYS SG : rot 22:sc= 0.202 USER MOD Single : A 50 ASN : amide:sc= -0.325 K(o=-0.32,f=-1.1!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot -15:sc= -0.63 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 HIS : no HD1:sc= -7.19! C(o=-7.2!,f=-13!) USER MOD Single : A 59 HIS : no HD1:sc= -0.22 X(o=-0.22,f=-0.026) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= -3.27! C(o=-3.3!,f=-2.4!) USER MOD Single : A 76 SER OG : rot 45:sc= 0.52 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.760 -30.360 16.263 1.00 0.00 N ATOM 2 CA GLY A 1 -12.916 -29.482 16.345 1.00 0.00 C ATOM 3 C GLY A 1 -13.715 -29.505 15.041 1.00 0.00 C ATOM 4 O GLY A 1 -14.499 -30.423 14.805 1.00 0.00 O ATOM 0 H1 GLY A 1 -11.234 -30.327 17.160 1.00 0.00 H new ATOM 0 H2 GLY A 1 -12.076 -31.334 16.083 1.00 0.00 H new ATOM 0 H3 GLY A 1 -11.141 -30.048 15.487 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -13.554 -29.792 17.172 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -12.590 -28.464 16.558 1.00 0.00 H new ATOM 8 N SER A 2 -13.490 -28.483 14.229 1.00 0.00 N ATOM 9 CA SER A 2 -14.180 -28.374 12.955 1.00 0.00 C ATOM 10 C SER A 2 -14.086 -29.697 12.193 1.00 0.00 C ATOM 11 O SER A 2 -15.105 -30.299 11.858 1.00 0.00 O ATOM 12 CB SER A 2 -13.603 -27.234 12.112 1.00 0.00 C ATOM 13 OG SER A 2 -14.442 -26.911 11.006 1.00 0.00 O ATOM 0 H SER A 2 -12.840 -27.723 14.428 1.00 0.00 H new ATOM 0 HA SER A 2 -15.228 -28.150 13.152 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.472 -26.351 12.737 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.615 -27.516 11.748 1.00 0.00 H new ATOM 0 HG SER A 2 -14.040 -26.178 10.494 1.00 0.00 H new ATOM 19 N SER A 3 -12.853 -30.113 11.943 1.00 0.00 N ATOM 20 CA SER A 3 -12.613 -31.354 11.227 1.00 0.00 C ATOM 21 C SER A 3 -13.405 -31.366 9.918 1.00 0.00 C ATOM 22 O SER A 3 -14.564 -31.776 9.894 1.00 0.00 O ATOM 23 CB SER A 3 -12.986 -32.565 12.084 1.00 0.00 C ATOM 24 OG SER A 3 -11.852 -33.371 12.393 1.00 0.00 O ATOM 0 H SER A 3 -12.010 -29.612 12.224 1.00 0.00 H new ATOM 0 HA SER A 3 -11.549 -31.417 11.000 1.00 0.00 H new ATOM 0 HB2 SER A 3 -13.452 -32.225 13.009 1.00 0.00 H new ATOM 0 HB3 SER A 3 -13.726 -33.167 11.557 1.00 0.00 H new ATOM 0 HG SER A 3 -12.132 -34.133 12.943 1.00 0.00 H new ATOM 30 N GLY A 4 -12.747 -30.911 8.862 1.00 0.00 N ATOM 31 CA GLY A 4 -13.376 -30.864 7.553 1.00 0.00 C ATOM 32 C GLY A 4 -12.859 -29.676 6.739 1.00 0.00 C ATOM 33 O GLY A 4 -12.258 -29.858 5.681 1.00 0.00 O ATOM 0 H GLY A 4 -11.785 -30.572 8.886 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -13.177 -31.792 7.016 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -14.457 -30.788 7.668 1.00 0.00 H new ATOM 37 N SER A 5 -13.111 -28.486 7.263 1.00 0.00 N ATOM 38 CA SER A 5 -12.678 -27.268 6.599 1.00 0.00 C ATOM 39 C SER A 5 -11.157 -27.133 6.693 1.00 0.00 C ATOM 40 O SER A 5 -10.573 -27.377 7.747 1.00 0.00 O ATOM 41 CB SER A 5 -13.359 -26.039 7.204 1.00 0.00 C ATOM 42 OG SER A 5 -14.764 -26.225 7.352 1.00 0.00 O ATOM 0 H SER A 5 -13.610 -28.339 8.140 1.00 0.00 H new ATOM 0 HA SER A 5 -12.966 -27.329 5.550 1.00 0.00 H new ATOM 0 HB2 SER A 5 -12.918 -25.822 8.177 1.00 0.00 H new ATOM 0 HB3 SER A 5 -13.173 -25.172 6.569 1.00 0.00 H new ATOM 0 HG SER A 5 -15.161 -25.419 7.743 1.00 0.00 H new ATOM 48 N SER A 6 -10.560 -26.743 5.576 1.00 0.00 N ATOM 49 CA SER A 6 -9.118 -26.572 5.519 1.00 0.00 C ATOM 50 C SER A 6 -8.775 -25.110 5.226 1.00 0.00 C ATOM 51 O SER A 6 -8.975 -24.634 4.110 1.00 0.00 O ATOM 52 CB SER A 6 -8.496 -27.485 4.460 1.00 0.00 C ATOM 53 OG SER A 6 -9.038 -27.246 3.164 1.00 0.00 O ATOM 0 H SER A 6 -11.048 -26.541 4.704 1.00 0.00 H new ATOM 0 HA SER A 6 -8.703 -26.849 6.488 1.00 0.00 H new ATOM 0 HB2 SER A 6 -7.417 -27.330 4.436 1.00 0.00 H new ATOM 0 HB3 SER A 6 -8.662 -28.526 4.736 1.00 0.00 H new ATOM 0 HG SER A 6 -9.185 -26.285 3.043 1.00 0.00 H new ATOM 59 N GLY A 7 -8.265 -24.439 6.248 1.00 0.00 N ATOM 60 CA GLY A 7 -7.893 -23.041 6.114 1.00 0.00 C ATOM 61 C GLY A 7 -6.404 -22.898 5.789 1.00 0.00 C ATOM 62 O GLY A 7 -5.579 -22.754 6.690 1.00 0.00 O ATOM 0 H GLY A 7 -8.101 -24.837 7.172 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -8.487 -22.577 5.327 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -8.120 -22.510 7.039 1.00 0.00 H new ATOM 66 N ARG A 8 -6.106 -22.944 4.499 1.00 0.00 N ATOM 67 CA ARG A 8 -4.732 -22.822 4.043 1.00 0.00 C ATOM 68 C ARG A 8 -4.647 -21.849 2.865 1.00 0.00 C ATOM 69 O ARG A 8 -5.435 -21.938 1.925 1.00 0.00 O ATOM 70 CB ARG A 8 -4.170 -24.179 3.616 1.00 0.00 C ATOM 71 CG ARG A 8 -2.983 -24.582 4.494 1.00 0.00 C ATOM 72 CD ARG A 8 -2.041 -25.525 3.742 1.00 0.00 C ATOM 73 NE ARG A 8 -1.185 -26.257 4.703 1.00 0.00 N ATOM 74 CZ ARG A 8 -0.250 -27.149 4.347 1.00 0.00 C ATOM 75 NH1 ARG A 8 -0.045 -27.424 3.052 1.00 0.00 N ATOM 76 NH2 ARG A 8 0.479 -27.765 5.288 1.00 0.00 N ATOM 0 H ARG A 8 -6.793 -23.064 3.755 1.00 0.00 H new ATOM 0 HA ARG A 8 -4.140 -22.442 4.876 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -4.950 -24.937 3.683 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -3.857 -24.135 2.573 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -2.438 -23.691 4.807 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -3.345 -25.069 5.400 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -2.619 -26.231 3.146 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -1.421 -24.956 3.049 1.00 0.00 H new ATOM 0 HE ARG A 8 -1.315 -26.071 5.697 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -0.600 -26.955 2.337 1.00 0.00 H new ATOM 0 HH12 ARG A 8 0.667 -28.103 2.781 1.00 0.00 H new ATOM 0 HH21 ARG A 8 0.322 -27.555 6.274 1.00 0.00 H new ATOM 0 HH22 ARG A 8 1.191 -28.444 5.018 1.00 0.00 H new ATOM 90 N MET A 9 -3.684 -20.944 2.955 1.00 0.00 N ATOM 91 CA MET A 9 -3.487 -19.956 1.908 1.00 0.00 C ATOM 92 C MET A 9 -2.002 -19.804 1.570 1.00 0.00 C ATOM 93 O MET A 9 -1.142 -20.027 2.421 1.00 0.00 O ATOM 94 CB MET A 9 -4.047 -18.607 2.365 1.00 0.00 C ATOM 95 CG MET A 9 -5.281 -18.221 1.549 1.00 0.00 C ATOM 96 SD MET A 9 -6.691 -19.178 2.083 1.00 0.00 S ATOM 97 CE MET A 9 -7.495 -19.447 0.512 1.00 0.00 C ATOM 0 H MET A 9 -3.032 -20.874 3.736 1.00 0.00 H new ATOM 0 HA MET A 9 -4.012 -20.293 1.014 1.00 0.00 H new ATOM 0 HB2 MET A 9 -4.307 -18.657 3.422 1.00 0.00 H new ATOM 0 HB3 MET A 9 -3.282 -17.837 2.260 1.00 0.00 H new ATOM 0 HG2 MET A 9 -5.487 -17.157 1.668 1.00 0.00 H new ATOM 0 HG3 MET A 9 -5.095 -18.393 0.489 1.00 0.00 H new ATOM 0 HE1 MET A 9 -8.401 -20.034 0.663 1.00 0.00 H new ATOM 0 HE2 MET A 9 -7.754 -18.486 0.067 1.00 0.00 H new ATOM 0 HE3 MET A 9 -6.821 -19.985 -0.154 1.00 0.00 H new ATOM 107 N PRO A 10 -1.740 -19.416 0.293 1.00 0.00 N ATOM 108 CA PRO A 10 -0.374 -19.232 -0.167 1.00 0.00 C ATOM 109 C PRO A 10 0.221 -17.935 0.386 1.00 0.00 C ATOM 110 O PRO A 10 -0.438 -17.215 1.135 1.00 0.00 O ATOM 111 CB PRO A 10 -0.466 -19.243 -1.685 1.00 0.00 C ATOM 112 CG PRO A 10 -1.923 -18.967 -2.016 1.00 0.00 C ATOM 113 CD PRO A 10 -2.733 -19.143 -0.742 1.00 0.00 C ATOM 0 HA PRO A 10 0.298 -20.015 0.184 1.00 0.00 H new ATOM 0 HB2 PRO A 10 0.184 -18.485 -2.121 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -0.149 -20.205 -2.089 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -2.041 -17.956 -2.406 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -2.275 -19.650 -2.789 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -3.309 -18.247 -0.512 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -3.444 -19.964 -0.835 1.00 0.00 H new ATOM 121 N THR A 11 1.461 -17.677 -0.004 1.00 0.00 N ATOM 122 CA THR A 11 2.152 -16.480 0.444 1.00 0.00 C ATOM 123 C THR A 11 2.686 -15.693 -0.755 1.00 0.00 C ATOM 124 O THR A 11 3.843 -15.851 -1.140 1.00 0.00 O ATOM 125 CB THR A 11 3.245 -16.905 1.427 1.00 0.00 C ATOM 126 OG1 THR A 11 2.527 -17.317 2.587 1.00 0.00 O ATOM 127 CG2 THR A 11 4.090 -15.725 1.910 1.00 0.00 C ATOM 0 H THR A 11 2.005 -18.276 -0.625 1.00 0.00 H new ATOM 0 HA THR A 11 1.474 -15.802 0.963 1.00 0.00 H new ATOM 0 HB THR A 11 3.892 -17.644 0.953 1.00 0.00 H new ATOM 0 HG1 THR A 11 3.159 -17.611 3.276 1.00 0.00 H new ATOM 0 HG21 THR A 11 4.850 -16.082 2.605 1.00 0.00 H new ATOM 0 HG22 THR A 11 4.573 -15.250 1.056 1.00 0.00 H new ATOM 0 HG23 THR A 11 3.450 -15.001 2.414 1.00 0.00 H new ATOM 135 N ARG A 12 1.817 -14.862 -1.310 1.00 0.00 N ATOM 136 CA ARG A 12 2.186 -14.049 -2.457 1.00 0.00 C ATOM 137 C ARG A 12 1.890 -12.574 -2.179 1.00 0.00 C ATOM 138 O ARG A 12 1.074 -12.252 -1.317 1.00 0.00 O ATOM 139 CB ARG A 12 1.425 -14.487 -3.710 1.00 0.00 C ATOM 140 CG ARG A 12 2.376 -15.091 -4.745 1.00 0.00 C ATOM 141 CD ARG A 12 2.967 -16.410 -4.243 1.00 0.00 C ATOM 142 NE ARG A 12 4.425 -16.441 -4.498 1.00 0.00 N ATOM 143 CZ ARG A 12 5.227 -17.456 -4.148 1.00 0.00 C ATOM 144 NH1 ARG A 12 4.719 -18.529 -3.527 1.00 0.00 N ATOM 145 NH2 ARG A 12 6.538 -17.398 -4.420 1.00 0.00 N ATOM 0 H ARG A 12 0.858 -14.734 -0.987 1.00 0.00 H new ATOM 0 HA ARG A 12 3.254 -14.183 -2.629 1.00 0.00 H new ATOM 0 HB2 ARG A 12 0.663 -15.218 -3.440 1.00 0.00 H new ATOM 0 HB3 ARG A 12 0.906 -13.631 -4.143 1.00 0.00 H new ATOM 0 HG2 ARG A 12 1.842 -15.260 -5.680 1.00 0.00 H new ATOM 0 HG3 ARG A 12 3.180 -14.387 -4.960 1.00 0.00 H new ATOM 0 HD2 ARG A 12 2.774 -16.522 -3.176 1.00 0.00 H new ATOM 0 HD3 ARG A 12 2.484 -17.249 -4.744 1.00 0.00 H new ATOM 0 HE ARG A 12 4.845 -15.640 -4.969 1.00 0.00 H new ATOM 0 HH11 ARG A 12 3.721 -18.574 -3.320 1.00 0.00 H new ATOM 0 HH12 ARG A 12 5.330 -19.301 -3.261 1.00 0.00 H new ATOM 0 HH21 ARG A 12 6.925 -16.582 -4.893 1.00 0.00 H new ATOM 0 HH22 ARG A 12 7.149 -18.170 -4.154 1.00 0.00 H new ATOM 159 N ARG A 13 2.570 -11.716 -2.926 1.00 0.00 N ATOM 160 CA ARG A 13 2.391 -10.283 -2.771 1.00 0.00 C ATOM 161 C ARG A 13 2.714 -9.859 -1.337 1.00 0.00 C ATOM 162 O ARG A 13 2.944 -10.704 -0.473 1.00 0.00 O ATOM 163 CB ARG A 13 0.957 -9.867 -3.108 1.00 0.00 C ATOM 164 CG ARG A 13 0.745 -9.809 -4.622 1.00 0.00 C ATOM 165 CD ARG A 13 -0.210 -10.911 -5.084 1.00 0.00 C ATOM 166 NE ARG A 13 -0.388 -10.844 -6.552 1.00 0.00 N ATOM 167 CZ ARG A 13 -1.032 -11.771 -7.274 1.00 0.00 C ATOM 168 NH1 ARG A 13 -1.565 -12.841 -6.668 1.00 0.00 N ATOM 169 NH2 ARG A 13 -1.144 -11.628 -8.602 1.00 0.00 N ATOM 0 H ARG A 13 3.246 -11.986 -3.640 1.00 0.00 H new ATOM 0 HA ARG A 13 3.073 -9.788 -3.462 1.00 0.00 H new ATOM 0 HB2 ARG A 13 0.256 -10.575 -2.666 1.00 0.00 H new ATOM 0 HB3 ARG A 13 0.745 -8.892 -2.670 1.00 0.00 H new ATOM 0 HG2 ARG A 13 0.343 -8.835 -4.900 1.00 0.00 H new ATOM 0 HG3 ARG A 13 1.703 -9.916 -5.131 1.00 0.00 H new ATOM 0 HD2 ARG A 13 0.184 -11.887 -4.801 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -1.174 -10.800 -4.587 1.00 0.00 H new ATOM 0 HE ARG A 13 0.004 -10.042 -7.045 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -1.480 -12.950 -5.657 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -2.055 -13.547 -7.217 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -0.739 -10.813 -9.063 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -1.634 -12.334 -9.151 1.00 0.00 H new ATOM 183 N TRP A 14 2.721 -8.551 -1.127 1.00 0.00 N ATOM 184 CA TRP A 14 3.012 -8.005 0.187 1.00 0.00 C ATOM 185 C TRP A 14 1.918 -8.477 1.148 1.00 0.00 C ATOM 186 O TRP A 14 0.815 -8.813 0.720 1.00 0.00 O ATOM 187 CB TRP A 14 3.143 -6.482 0.132 1.00 0.00 C ATOM 188 CG TRP A 14 4.373 -5.991 -0.634 1.00 0.00 C ATOM 189 CD1 TRP A 14 5.658 -6.305 -0.420 1.00 0.00 C ATOM 190 CD2 TRP A 14 4.381 -5.079 -1.753 1.00 0.00 C ATOM 191 NE1 TRP A 14 6.491 -5.665 -1.316 1.00 0.00 N ATOM 192 CE2 TRP A 14 5.689 -4.896 -2.152 1.00 0.00 C ATOM 193 CE3 TRP A 14 3.318 -4.431 -2.406 1.00 0.00 C ATOM 194 CZ2 TRP A 14 6.057 -4.066 -3.218 1.00 0.00 C ATOM 195 CZ3 TRP A 14 3.702 -3.605 -3.470 1.00 0.00 C ATOM 196 CH2 TRP A 14 5.014 -3.410 -3.884 1.00 0.00 C ATOM 0 H TRP A 14 2.530 -7.853 -1.846 1.00 0.00 H new ATOM 0 HA TRP A 14 3.974 -8.366 0.550 1.00 0.00 H new ATOM 0 HB2 TRP A 14 2.249 -6.067 -0.333 1.00 0.00 H new ATOM 0 HB3 TRP A 14 3.183 -6.094 1.150 1.00 0.00 H new ATOM 0 HD1 TRP A 14 5.999 -6.974 0.356 1.00 0.00 H new ATOM 0 HE1 TRP A 14 7.507 -5.742 -1.357 1.00 0.00 H new ATOM 0 HE3 TRP A 14 2.287 -4.560 -2.111 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 7.089 -3.939 -3.511 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 2.924 -3.083 -4.006 1.00 0.00 H new ATOM 0 HH2 TRP A 14 5.229 -2.755 -4.716 1.00 0.00 H new ATOM 207 N ALA A 15 2.262 -8.486 2.427 1.00 0.00 N ATOM 208 CA ALA A 15 1.323 -8.911 3.451 1.00 0.00 C ATOM 209 C ALA A 15 0.918 -7.702 4.299 1.00 0.00 C ATOM 210 O ALA A 15 1.456 -6.610 4.125 1.00 0.00 O ATOM 211 CB ALA A 15 1.951 -10.026 4.289 1.00 0.00 C ATOM 0 H ALA A 15 3.178 -8.206 2.778 1.00 0.00 H new ATOM 0 HA ALA A 15 0.418 -9.315 2.998 1.00 0.00 H new ATOM 0 HB1 ALA A 15 1.246 -10.345 5.057 1.00 0.00 H new ATOM 0 HB2 ALA A 15 2.194 -10.872 3.646 1.00 0.00 H new ATOM 0 HB3 ALA A 15 2.861 -9.657 4.762 1.00 0.00 H new ATOM 217 N PRO A 16 -0.051 -7.946 5.221 1.00 0.00 N ATOM 218 CA PRO A 16 -0.534 -6.891 6.096 1.00 0.00 C ATOM 219 C PRO A 16 0.484 -6.582 7.196 1.00 0.00 C ATOM 220 O PRO A 16 0.882 -7.472 7.946 1.00 0.00 O ATOM 221 CB PRO A 16 -1.857 -7.405 6.638 1.00 0.00 C ATOM 222 CG PRO A 16 -1.843 -8.908 6.417 1.00 0.00 C ATOM 223 CD PRO A 16 -0.711 -9.227 5.455 1.00 0.00 C ATOM 0 HA PRO A 16 -0.673 -5.943 5.576 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -1.964 -7.167 7.696 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -2.697 -6.942 6.120 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -1.700 -9.431 7.362 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -2.797 -9.243 6.009 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -0.022 -9.955 5.882 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -1.089 -9.653 4.526 1.00 0.00 H new ATOM 231 N GLY A 17 0.876 -5.318 7.257 1.00 0.00 N ATOM 232 CA GLY A 17 1.839 -4.881 8.253 1.00 0.00 C ATOM 233 C GLY A 17 3.158 -4.468 7.596 1.00 0.00 C ATOM 234 O GLY A 17 4.034 -3.908 8.252 1.00 0.00 O ATOM 0 H GLY A 17 0.544 -4.583 6.633 1.00 0.00 H new ATOM 0 HA2 GLY A 17 1.430 -4.042 8.816 1.00 0.00 H new ATOM 0 HA3 GLY A 17 2.020 -5.685 8.966 1.00 0.00 H new ATOM 238 N THR A 18 3.257 -4.762 6.307 1.00 0.00 N ATOM 239 CA THR A 18 4.454 -4.428 5.554 1.00 0.00 C ATOM 240 C THR A 18 4.460 -2.942 5.193 1.00 0.00 C ATOM 241 O THR A 18 3.405 -2.348 4.976 1.00 0.00 O ATOM 242 CB THR A 18 4.518 -5.350 4.335 1.00 0.00 C ATOM 243 OG1 THR A 18 4.945 -6.601 4.868 1.00 0.00 O ATOM 244 CG2 THR A 18 5.633 -4.959 3.363 1.00 0.00 C ATOM 0 H THR A 18 2.528 -5.227 5.766 1.00 0.00 H new ATOM 0 HA THR A 18 5.353 -4.589 6.149 1.00 0.00 H new ATOM 0 HB THR A 18 3.560 -5.331 3.815 1.00 0.00 H new ATOM 0 HG1 THR A 18 5.012 -7.259 4.145 1.00 0.00 H new ATOM 0 HG21 THR A 18 5.635 -5.645 2.516 1.00 0.00 H new ATOM 0 HG22 THR A 18 5.465 -3.943 3.006 1.00 0.00 H new ATOM 0 HG23 THR A 18 6.595 -5.010 3.873 1.00 0.00 H new ATOM 252 N GLN A 19 5.661 -2.383 5.139 1.00 0.00 N ATOM 253 CA GLN A 19 5.818 -0.977 4.807 1.00 0.00 C ATOM 254 C GLN A 19 6.124 -0.814 3.317 1.00 0.00 C ATOM 255 O GLN A 19 7.195 -1.204 2.854 1.00 0.00 O ATOM 256 CB GLN A 19 6.907 -0.330 5.665 1.00 0.00 C ATOM 257 CG GLN A 19 6.433 -0.150 7.109 1.00 0.00 C ATOM 258 CD GLN A 19 7.097 1.067 7.756 1.00 0.00 C ATOM 259 OE1 GLN A 19 6.450 2.022 8.153 1.00 0.00 O ATOM 260 NE2 GLN A 19 8.421 0.980 7.840 1.00 0.00 N ATOM 0 H GLN A 19 6.534 -2.879 5.320 1.00 0.00 H new ATOM 0 HA GLN A 19 4.880 -0.466 5.023 1.00 0.00 H new ATOM 0 HB2 GLN A 19 7.804 -0.949 5.647 1.00 0.00 H new ATOM 0 HB3 GLN A 19 7.179 0.638 5.244 1.00 0.00 H new ATOM 0 HG2 GLN A 19 5.350 -0.031 7.128 1.00 0.00 H new ATOM 0 HG3 GLN A 19 6.665 -1.045 7.686 1.00 0.00 H new ATOM 0 HE21 GLN A 19 8.901 0.152 7.488 1.00 0.00 H new ATOM 0 HE22 GLN A 19 8.957 1.742 8.256 1.00 0.00 H new ATOM 269 N CYS A 20 5.165 -0.238 2.608 1.00 0.00 N ATOM 270 CA CYS A 20 5.319 -0.019 1.180 1.00 0.00 C ATOM 271 C CYS A 20 5.476 1.484 0.939 1.00 0.00 C ATOM 272 O CYS A 20 4.932 2.296 1.684 1.00 0.00 O ATOM 273 CB CYS A 20 4.148 -0.604 0.388 1.00 0.00 C ATOM 274 SG CYS A 20 4.089 -2.420 0.608 1.00 0.00 S ATOM 0 H CYS A 20 4.278 0.084 2.996 1.00 0.00 H new ATOM 0 HA CYS A 20 6.209 -0.539 0.824 1.00 0.00 H new ATOM 0 HB2 CYS A 20 3.212 -0.158 0.724 1.00 0.00 H new ATOM 0 HB3 CYS A 20 4.255 -0.361 -0.669 1.00 0.00 H new ATOM 0 HG CYS A 20 4.020 -2.996 -0.555 1.00 0.00 H new ATOM 280 N ILE A 21 6.224 1.808 -0.106 1.00 0.00 N ATOM 281 CA ILE A 21 6.460 3.198 -0.455 1.00 0.00 C ATOM 282 C ILE A 21 5.763 3.513 -1.781 1.00 0.00 C ATOM 283 O ILE A 21 5.575 2.626 -2.613 1.00 0.00 O ATOM 284 CB ILE A 21 7.959 3.502 -0.462 1.00 0.00 C ATOM 285 CG1 ILE A 21 8.658 2.839 0.727 1.00 0.00 C ATOM 286 CG2 ILE A 21 8.213 5.010 -0.508 1.00 0.00 C ATOM 287 CD1 ILE A 21 7.908 3.122 2.031 1.00 0.00 C ATOM 0 H ILE A 21 6.674 1.131 -0.722 1.00 0.00 H new ATOM 0 HA ILE A 21 6.028 3.857 0.298 1.00 0.00 H new ATOM 0 HB ILE A 21 8.390 3.076 -1.368 1.00 0.00 H new ATOM 0 HG12 ILE A 21 8.718 1.763 0.564 1.00 0.00 H new ATOM 0 HG13 ILE A 21 9.681 3.208 0.804 1.00 0.00 H new ATOM 0 HG21 ILE A 21 9.287 5.198 -0.512 1.00 0.00 H new ATOM 0 HG22 ILE A 21 7.768 5.426 -1.412 1.00 0.00 H new ATOM 0 HG23 ILE A 21 7.765 5.481 0.367 1.00 0.00 H new ATOM 0 HD11 ILE A 21 8.425 2.640 2.860 1.00 0.00 H new ATOM 0 HD12 ILE A 21 7.870 4.198 2.203 1.00 0.00 H new ATOM 0 HD13 ILE A 21 6.893 2.730 1.959 1.00 0.00 H new ATOM 299 N THR A 22 5.399 4.777 -1.936 1.00 0.00 N ATOM 300 CA THR A 22 4.727 5.219 -3.146 1.00 0.00 C ATOM 301 C THR A 22 5.751 5.596 -4.218 1.00 0.00 C ATOM 302 O THR A 22 6.668 6.374 -3.959 1.00 0.00 O ATOM 303 CB THR A 22 3.788 6.368 -2.772 1.00 0.00 C ATOM 304 OG1 THR A 22 4.601 7.243 -1.995 1.00 0.00 O ATOM 305 CG2 THR A 22 2.683 5.932 -1.808 1.00 0.00 C ATOM 0 H THR A 22 5.557 5.509 -1.244 1.00 0.00 H new ATOM 0 HA THR A 22 4.128 4.419 -3.581 1.00 0.00 H new ATOM 0 HB THR A 22 3.339 6.778 -3.677 1.00 0.00 H new ATOM 0 HG1 THR A 22 4.137 8.098 -1.873 1.00 0.00 H new ATOM 0 HG21 THR A 22 2.046 6.785 -1.575 1.00 0.00 H new ATOM 0 HG22 THR A 22 2.085 5.147 -2.271 1.00 0.00 H new ATOM 0 HG23 THR A 22 3.130 5.552 -0.889 1.00 0.00 H new ATOM 313 N LYS A 23 5.562 5.025 -5.398 1.00 0.00 N ATOM 314 CA LYS A 23 6.458 5.292 -6.511 1.00 0.00 C ATOM 315 C LYS A 23 6.098 6.639 -7.139 1.00 0.00 C ATOM 316 O LYS A 23 6.852 7.170 -7.953 1.00 0.00 O ATOM 317 CB LYS A 23 6.442 4.127 -7.503 1.00 0.00 C ATOM 318 CG LYS A 23 7.081 2.878 -6.893 1.00 0.00 C ATOM 319 CD LYS A 23 6.379 1.609 -7.379 1.00 0.00 C ATOM 320 CE LYS A 23 6.579 1.414 -8.884 1.00 0.00 C ATOM 321 NZ LYS A 23 7.027 0.033 -9.172 1.00 0.00 N ATOM 0 H LYS A 23 4.802 4.378 -5.608 1.00 0.00 H new ATOM 0 HA LYS A 23 7.487 5.369 -6.161 1.00 0.00 H new ATOM 0 HB2 LYS A 23 5.415 3.908 -7.796 1.00 0.00 H new ATOM 0 HB3 LYS A 23 6.979 4.409 -8.409 1.00 0.00 H new ATOM 0 HG2 LYS A 23 8.137 2.838 -7.160 1.00 0.00 H new ATOM 0 HG3 LYS A 23 7.029 2.933 -5.806 1.00 0.00 H new ATOM 0 HD2 LYS A 23 6.769 0.745 -6.842 1.00 0.00 H new ATOM 0 HD3 LYS A 23 5.314 1.670 -7.155 1.00 0.00 H new ATOM 0 HE2 LYS A 23 5.646 1.617 -9.410 1.00 0.00 H new ATOM 0 HE3 LYS A 23 7.316 2.127 -9.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 7.158 -0.083 -10.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 7.928 -0.148 -8.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 6.310 -0.642 -8.836 1.00 0.00 H new ATOM 335 N CYS A 24 4.946 7.155 -6.736 1.00 0.00 N ATOM 336 CA CYS A 24 4.477 8.431 -7.250 1.00 0.00 C ATOM 337 C CYS A 24 3.751 9.165 -6.121 1.00 0.00 C ATOM 338 O CYS A 24 3.728 8.696 -4.984 1.00 0.00 O ATOM 339 CB CYS A 24 3.586 8.253 -8.481 1.00 0.00 C ATOM 340 SG CYS A 24 2.150 7.197 -8.066 1.00 0.00 S ATOM 0 H CYS A 24 4.324 6.713 -6.060 1.00 0.00 H new ATOM 0 HA CYS A 24 5.327 9.027 -7.582 1.00 0.00 H new ATOM 0 HB2 CYS A 24 3.243 9.225 -8.835 1.00 0.00 H new ATOM 0 HB3 CYS A 24 4.158 7.802 -9.292 1.00 0.00 H new ATOM 0 HG CYS A 24 1.398 7.054 -9.117 1.00 0.00 H new ATOM 346 N GLU A 25 3.175 10.305 -6.474 1.00 0.00 N ATOM 347 CA GLU A 25 2.449 11.108 -5.505 1.00 0.00 C ATOM 348 C GLU A 25 0.988 11.263 -5.931 1.00 0.00 C ATOM 349 O GLU A 25 0.692 11.368 -7.121 1.00 0.00 O ATOM 350 CB GLU A 25 3.113 12.474 -5.318 1.00 0.00 C ATOM 351 CG GLU A 25 2.968 13.331 -6.578 1.00 0.00 C ATOM 352 CD GLU A 25 4.335 13.634 -7.194 1.00 0.00 C ATOM 353 OE1 GLU A 25 5.221 14.066 -6.426 1.00 0.00 O ATOM 354 OE2 GLU A 25 4.463 13.428 -8.421 1.00 0.00 O ATOM 0 H GLU A 25 3.196 10.691 -7.418 1.00 0.00 H new ATOM 0 HA GLU A 25 2.474 10.593 -4.545 1.00 0.00 H new ATOM 0 HB2 GLU A 25 2.662 12.989 -4.470 1.00 0.00 H new ATOM 0 HB3 GLU A 25 4.169 12.340 -5.084 1.00 0.00 H new ATOM 0 HG2 GLU A 25 2.344 12.812 -7.306 1.00 0.00 H new ATOM 0 HG3 GLU A 25 2.461 14.264 -6.331 1.00 0.00 H new ATOM 361 N HIS A 26 0.112 11.272 -4.937 1.00 0.00 N ATOM 362 CA HIS A 26 -1.311 11.411 -5.194 1.00 0.00 C ATOM 363 C HIS A 26 -1.886 12.519 -4.309 1.00 0.00 C ATOM 364 O HIS A 26 -2.040 12.338 -3.102 1.00 0.00 O ATOM 365 CB HIS A 26 -2.030 10.073 -5.010 1.00 0.00 C ATOM 366 CG HIS A 26 -3.126 9.822 -6.018 1.00 0.00 C ATOM 367 ND1 HIS A 26 -3.055 10.263 -7.328 1.00 0.00 N ATOM 368 CD2 HIS A 26 -4.318 9.170 -5.895 1.00 0.00 C ATOM 369 CE1 HIS A 26 -4.160 9.889 -7.956 1.00 0.00 C ATOM 370 NE2 HIS A 26 -4.942 9.212 -7.066 1.00 0.00 N ATOM 0 H HIS A 26 0.361 11.185 -3.952 1.00 0.00 H new ATOM 0 HA HIS A 26 -1.470 11.703 -6.232 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -1.299 9.267 -5.075 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -2.457 10.036 -4.008 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -4.691 8.699 -4.997 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -4.400 10.085 -8.991 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -5.855 8.805 -7.267 1.00 0.00 H new ATOM 378 N THR A 27 -2.187 13.643 -4.944 1.00 0.00 N ATOM 379 CA THR A 27 -2.742 14.780 -4.230 1.00 0.00 C ATOM 380 C THR A 27 -4.271 14.732 -4.255 1.00 0.00 C ATOM 381 O THR A 27 -4.920 14.993 -3.244 1.00 0.00 O ATOM 382 CB THR A 27 -2.163 16.054 -4.849 1.00 0.00 C ATOM 383 OG1 THR A 27 -2.381 15.891 -6.247 1.00 0.00 O ATOM 384 CG2 THR A 27 -0.641 16.131 -4.715 1.00 0.00 C ATOM 0 H THR A 27 -2.057 13.790 -5.945 1.00 0.00 H new ATOM 0 HA THR A 27 -2.466 14.759 -3.176 1.00 0.00 H new ATOM 0 HB THR A 27 -2.613 16.925 -4.373 1.00 0.00 H new ATOM 0 HG1 THR A 27 -2.037 16.674 -6.725 1.00 0.00 H new ATOM 0 HG21 THR A 27 -0.282 17.054 -5.170 1.00 0.00 H new ATOM 0 HG22 THR A 27 -0.367 16.117 -3.660 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.188 15.277 -5.219 1.00 0.00 H new ATOM 392 N ARG A 28 -4.801 14.397 -5.422 1.00 0.00 N ATOM 393 CA ARG A 28 -6.241 14.311 -5.593 1.00 0.00 C ATOM 394 C ARG A 28 -6.642 12.897 -6.020 1.00 0.00 C ATOM 395 O ARG A 28 -6.676 12.591 -7.210 1.00 0.00 O ATOM 396 CB ARG A 28 -6.732 15.311 -6.641 1.00 0.00 C ATOM 397 CG ARG A 28 -7.066 16.659 -5.999 1.00 0.00 C ATOM 398 CD ARG A 28 -6.798 17.811 -6.970 1.00 0.00 C ATOM 399 NE ARG A 28 -6.715 19.089 -6.229 1.00 0.00 N ATOM 400 CZ ARG A 28 -7.777 19.747 -5.745 1.00 0.00 C ATOM 401 NH1 ARG A 28 -9.009 19.252 -5.921 1.00 0.00 N ATOM 402 NH2 ARG A 28 -7.606 20.901 -5.085 1.00 0.00 N ATOM 0 H ARG A 28 -4.259 14.182 -6.259 1.00 0.00 H new ATOM 0 HA ARG A 28 -6.703 14.550 -4.635 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -5.967 15.448 -7.405 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -7.615 14.914 -7.142 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -8.113 16.671 -5.695 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -6.470 16.793 -5.096 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -5.868 17.633 -7.510 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -7.593 17.863 -7.713 1.00 0.00 H new ATOM 0 HE ARG A 28 -5.791 19.494 -6.077 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -9.139 18.374 -6.424 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -9.817 19.753 -5.552 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -6.668 21.278 -4.951 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -8.414 21.402 -4.716 1.00 0.00 H new ATOM 416 N PRO A 29 -6.943 12.052 -4.998 1.00 0.00 N ATOM 417 CA PRO A 29 -7.340 10.678 -5.255 1.00 0.00 C ATOM 418 C PRO A 29 -8.776 10.612 -5.779 1.00 0.00 C ATOM 419 O PRO A 29 -9.441 11.638 -5.910 1.00 0.00 O ATOM 420 CB PRO A 29 -7.159 9.961 -3.927 1.00 0.00 C ATOM 421 CG PRO A 29 -7.114 11.050 -2.868 1.00 0.00 C ATOM 422 CD PRO A 29 -6.914 12.381 -3.575 1.00 0.00 C ATOM 0 HA PRO A 29 -6.740 10.205 -6.033 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -7.981 9.269 -3.741 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -6.241 9.374 -3.922 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -8.039 11.060 -2.291 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -6.302 10.865 -2.165 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -7.701 13.089 -3.316 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -5.966 12.840 -3.294 1.00 0.00 H new ATOM 430 N LYS A 30 -9.212 9.394 -6.065 1.00 0.00 N ATOM 431 CA LYS A 30 -10.557 9.180 -6.572 1.00 0.00 C ATOM 432 C LYS A 30 -11.570 9.506 -5.472 1.00 0.00 C ATOM 433 O LYS A 30 -11.189 9.810 -4.343 1.00 0.00 O ATOM 434 CB LYS A 30 -10.698 7.765 -7.137 1.00 0.00 C ATOM 435 CG LYS A 30 -10.980 7.801 -8.641 1.00 0.00 C ATOM 436 CD LYS A 30 -11.978 6.712 -9.038 1.00 0.00 C ATOM 437 CE LYS A 30 -11.367 5.756 -10.064 1.00 0.00 C ATOM 438 NZ LYS A 30 -11.064 4.449 -9.439 1.00 0.00 N ATOM 0 H LYS A 30 -8.658 8.545 -5.955 1.00 0.00 H new ATOM 0 HA LYS A 30 -10.761 9.853 -7.405 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -9.784 7.201 -6.948 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -11.506 7.244 -6.624 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -11.374 8.779 -8.917 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -10.050 7.665 -9.192 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -12.284 6.154 -8.153 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -12.876 7.170 -9.452 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -12.057 5.617 -10.896 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -10.455 6.189 -10.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -10.650 3.812 -10.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -10.388 4.585 -8.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -11.941 4.030 -9.068 1.00 0.00 H new ATOM 452 N PRO A 31 -12.874 9.429 -5.851 1.00 0.00 N ATOM 453 CA PRO A 31 -13.944 9.713 -4.910 1.00 0.00 C ATOM 454 C PRO A 31 -14.127 8.558 -3.923 1.00 0.00 C ATOM 455 O PRO A 31 -14.859 7.610 -4.201 1.00 0.00 O ATOM 456 CB PRO A 31 -15.172 9.957 -5.773 1.00 0.00 C ATOM 457 CG PRO A 31 -14.856 9.348 -7.129 1.00 0.00 C ATOM 458 CD PRO A 31 -13.362 9.072 -7.180 1.00 0.00 C ATOM 0 HA PRO A 31 -13.735 10.580 -4.284 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -16.056 9.495 -5.334 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -15.381 11.023 -5.863 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -15.420 8.426 -7.274 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -15.146 10.028 -7.930 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -13.160 8.025 -7.408 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -12.876 9.666 -7.953 1.00 0.00 H new ATOM 466 N GLY A 32 -13.449 8.676 -2.791 1.00 0.00 N ATOM 467 CA GLY A 32 -13.527 7.654 -1.762 1.00 0.00 C ATOM 468 C GLY A 32 -12.178 6.956 -1.579 1.00 0.00 C ATOM 469 O GLY A 32 -12.120 5.828 -1.090 1.00 0.00 O ATOM 0 H GLY A 32 -12.843 9.464 -2.564 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -13.838 8.105 -0.820 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -14.287 6.920 -2.030 1.00 0.00 H new ATOM 473 N GLU A 33 -11.126 7.655 -1.980 1.00 0.00 N ATOM 474 CA GLU A 33 -9.782 7.116 -1.866 1.00 0.00 C ATOM 475 C GLU A 33 -8.931 8.002 -0.953 1.00 0.00 C ATOM 476 O GLU A 33 -9.357 9.088 -0.563 1.00 0.00 O ATOM 477 CB GLU A 33 -9.133 6.965 -3.243 1.00 0.00 C ATOM 478 CG GLU A 33 -9.613 5.690 -3.939 1.00 0.00 C ATOM 479 CD GLU A 33 -8.990 5.556 -5.330 1.00 0.00 C ATOM 480 OE1 GLU A 33 -8.168 6.434 -5.670 1.00 0.00 O ATOM 481 OE2 GLU A 33 -9.350 4.579 -6.021 1.00 0.00 O ATOM 0 H GLU A 33 -11.178 8.590 -2.384 1.00 0.00 H new ATOM 0 HA GLU A 33 -9.846 6.123 -1.420 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -9.373 7.832 -3.859 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -8.048 6.939 -3.137 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -9.352 4.821 -3.335 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -10.700 5.705 -4.023 1.00 0.00 H new ATOM 488 N LEU A 34 -7.744 7.504 -0.639 1.00 0.00 N ATOM 489 CA LEU A 34 -6.829 8.237 0.221 1.00 0.00 C ATOM 490 C LEU A 34 -5.799 8.967 -0.643 1.00 0.00 C ATOM 491 O LEU A 34 -5.519 8.552 -1.766 1.00 0.00 O ATOM 492 CB LEU A 34 -6.208 7.303 1.261 1.00 0.00 C ATOM 493 CG LEU A 34 -4.871 7.753 1.853 1.00 0.00 C ATOM 494 CD1 LEU A 34 -5.085 8.740 3.003 1.00 0.00 C ATOM 495 CD2 LEU A 34 -4.027 6.550 2.280 1.00 0.00 C ATOM 0 H LEU A 34 -7.395 6.603 -0.964 1.00 0.00 H new ATOM 0 HA LEU A 34 -7.365 8.997 0.789 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -6.920 7.176 2.077 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -6.069 6.323 0.804 1.00 0.00 H new ATOM 0 HG LEU A 34 -4.314 8.278 1.077 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -4.119 9.044 3.406 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -5.617 9.617 2.635 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -5.672 8.262 3.788 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -3.082 6.898 2.697 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -4.567 5.976 3.033 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.830 5.918 1.414 1.00 0.00 H new ATOM 507 N ALA A 35 -5.264 10.043 -0.085 1.00 0.00 N ATOM 508 CA ALA A 35 -4.271 10.836 -0.791 1.00 0.00 C ATOM 509 C ALA A 35 -2.931 10.737 -0.058 1.00 0.00 C ATOM 510 O ALA A 35 -2.897 10.587 1.163 1.00 0.00 O ATOM 511 CB ALA A 35 -4.763 12.279 -0.914 1.00 0.00 C ATOM 0 H ALA A 35 -5.499 10.384 0.847 1.00 0.00 H new ATOM 0 HA ALA A 35 -4.123 10.455 -1.802 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -4.018 12.873 -1.443 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -5.702 12.297 -1.467 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -4.920 12.696 0.081 1.00 0.00 H new ATOM 517 N PHE A 36 -1.861 10.827 -0.833 1.00 0.00 N ATOM 518 CA PHE A 36 -0.522 10.750 -0.273 1.00 0.00 C ATOM 519 C PHE A 36 0.502 11.392 -1.210 1.00 0.00 C ATOM 520 O PHE A 36 0.165 11.796 -2.322 1.00 0.00 O ATOM 521 CB PHE A 36 -0.189 9.265 -0.113 1.00 0.00 C ATOM 522 CG PHE A 36 -0.321 8.455 -1.404 1.00 0.00 C ATOM 523 CD1 PHE A 36 0.698 8.441 -2.304 1.00 0.00 C ATOM 524 CD2 PHE A 36 -1.457 7.749 -1.651 1.00 0.00 C ATOM 525 CE1 PHE A 36 0.576 7.689 -3.503 1.00 0.00 C ATOM 526 CE2 PHE A 36 -1.579 6.998 -2.850 1.00 0.00 C ATOM 527 CZ PHE A 36 -0.560 6.983 -3.750 1.00 0.00 C ATOM 0 H PHE A 36 -1.893 10.953 -1.845 1.00 0.00 H new ATOM 0 HA PHE A 36 -0.486 11.280 0.679 1.00 0.00 H new ATOM 0 HB2 PHE A 36 0.831 9.170 0.261 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -0.847 8.835 0.642 1.00 0.00 H new ATOM 0 HD1 PHE A 36 1.600 9.001 -2.107 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.266 7.760 -0.936 1.00 0.00 H new ATOM 0 HE1 PHE A 36 1.385 7.678 -4.218 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -2.482 6.439 -3.047 1.00 0.00 H new ATOM 0 HZ PHE A 36 -0.653 6.410 -4.661 1.00 0.00 H new ATOM 537 N ARG A 37 1.734 11.466 -0.727 1.00 0.00 N ATOM 538 CA ARG A 37 2.810 12.052 -1.508 1.00 0.00 C ATOM 539 C ARG A 37 3.859 10.990 -1.847 1.00 0.00 C ATOM 540 O ARG A 37 3.791 9.866 -1.354 1.00 0.00 O ATOM 541 CB ARG A 37 3.481 13.197 -0.747 1.00 0.00 C ATOM 542 CG ARG A 37 2.637 14.471 -0.818 1.00 0.00 C ATOM 543 CD ARG A 37 2.652 15.062 -2.229 1.00 0.00 C ATOM 544 NE ARG A 37 3.082 16.477 -2.181 1.00 0.00 N ATOM 545 CZ ARG A 37 3.304 17.232 -3.265 1.00 0.00 C ATOM 546 NH1 ARG A 37 3.138 16.712 -4.489 1.00 0.00 N ATOM 547 NH2 ARG A 37 3.692 18.507 -3.126 1.00 0.00 N ATOM 0 H ARG A 37 2.011 11.130 0.195 1.00 0.00 H new ATOM 0 HA ARG A 37 2.377 12.446 -2.427 1.00 0.00 H new ATOM 0 HB2 ARG A 37 3.626 12.910 0.295 1.00 0.00 H new ATOM 0 HB3 ARG A 37 4.469 13.387 -1.166 1.00 0.00 H new ATOM 0 HG2 ARG A 37 1.611 14.248 -0.524 1.00 0.00 H new ATOM 0 HG3 ARG A 37 3.020 15.205 -0.109 1.00 0.00 H new ATOM 0 HD2 ARG A 37 3.328 14.490 -2.865 1.00 0.00 H new ATOM 0 HD3 ARG A 37 1.659 14.990 -2.673 1.00 0.00 H new ATOM 0 HE ARG A 37 3.218 16.904 -1.265 1.00 0.00 H new ATOM 0 HH11 ARG A 37 2.843 15.741 -4.595 1.00 0.00 H new ATOM 0 HH12 ARG A 37 3.307 17.287 -5.315 1.00 0.00 H new ATOM 0 HH21 ARG A 37 3.818 18.903 -2.195 1.00 0.00 H new ATOM 0 HH22 ARG A 37 3.861 19.082 -3.952 1.00 0.00 H new ATOM 561 N LYS A 38 4.804 11.386 -2.686 1.00 0.00 N ATOM 562 CA LYS A 38 5.866 10.483 -3.097 1.00 0.00 C ATOM 563 C LYS A 38 6.705 10.100 -1.877 1.00 0.00 C ATOM 564 O LYS A 38 6.853 10.893 -0.948 1.00 0.00 O ATOM 565 CB LYS A 38 6.681 11.097 -4.237 1.00 0.00 C ATOM 566 CG LYS A 38 7.547 10.039 -4.924 1.00 0.00 C ATOM 567 CD LYS A 38 8.547 10.688 -5.884 1.00 0.00 C ATOM 568 CE LYS A 38 9.437 9.633 -6.543 1.00 0.00 C ATOM 569 NZ LYS A 38 10.616 9.347 -5.694 1.00 0.00 N ATOM 0 H LYS A 38 4.857 12.320 -3.093 1.00 0.00 H new ATOM 0 HA LYS A 38 5.447 9.560 -3.498 1.00 0.00 H new ATOM 0 HB2 LYS A 38 6.009 11.551 -4.965 1.00 0.00 H new ATOM 0 HB3 LYS A 38 7.315 11.894 -3.848 1.00 0.00 H new ATOM 0 HG2 LYS A 38 8.083 9.459 -4.173 1.00 0.00 H new ATOM 0 HG3 LYS A 38 6.911 9.343 -5.471 1.00 0.00 H new ATOM 0 HD2 LYS A 38 8.010 11.247 -6.651 1.00 0.00 H new ATOM 0 HD3 LYS A 38 9.165 11.404 -5.342 1.00 0.00 H new ATOM 0 HE2 LYS A 38 8.867 8.718 -6.705 1.00 0.00 H new ATOM 0 HE3 LYS A 38 9.763 9.984 -7.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 11.210 8.629 -6.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 11.167 10.219 -5.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 10.300 8.992 -4.769 1.00 0.00 H new ATOM 583 N GLY A 39 7.233 8.886 -1.918 1.00 0.00 N ATOM 584 CA GLY A 39 8.053 8.389 -0.827 1.00 0.00 C ATOM 585 C GLY A 39 7.284 8.419 0.496 1.00 0.00 C ATOM 586 O GLY A 39 7.807 8.875 1.512 1.00 0.00 O ATOM 0 H GLY A 39 7.109 8.231 -2.690 1.00 0.00 H new ATOM 0 HA2 GLY A 39 8.372 7.369 -1.043 1.00 0.00 H new ATOM 0 HA3 GLY A 39 8.955 8.994 -0.741 1.00 0.00 H new ATOM 590 N ASP A 40 6.055 7.928 0.440 1.00 0.00 N ATOM 591 CA ASP A 40 5.209 7.893 1.621 1.00 0.00 C ATOM 592 C ASP A 40 5.231 6.484 2.217 1.00 0.00 C ATOM 593 O ASP A 40 5.210 5.496 1.485 1.00 0.00 O ATOM 594 CB ASP A 40 3.759 8.235 1.270 1.00 0.00 C ATOM 595 CG ASP A 40 2.710 7.658 2.222 1.00 0.00 C ATOM 596 OD1 ASP A 40 3.028 7.565 3.427 1.00 0.00 O ATOM 597 OD2 ASP A 40 1.614 7.322 1.723 1.00 0.00 O ATOM 0 H ASP A 40 5.625 7.551 -0.404 1.00 0.00 H new ATOM 0 HA ASP A 40 5.591 8.626 2.331 1.00 0.00 H new ATOM 0 HB2 ASP A 40 3.652 9.320 1.250 1.00 0.00 H new ATOM 0 HB3 ASP A 40 3.550 7.875 0.262 1.00 0.00 H new ATOM 602 N VAL A 41 5.274 6.437 3.541 1.00 0.00 N ATOM 603 CA VAL A 41 5.300 5.166 4.244 1.00 0.00 C ATOM 604 C VAL A 41 3.875 4.784 4.650 1.00 0.00 C ATOM 605 O VAL A 41 3.169 5.578 5.270 1.00 0.00 O ATOM 606 CB VAL A 41 6.260 5.245 5.433 1.00 0.00 C ATOM 607 CG1 VAL A 41 6.090 4.036 6.355 1.00 0.00 C ATOM 608 CG2 VAL A 41 7.709 5.375 4.960 1.00 0.00 C ATOM 0 H VAL A 41 5.291 7.259 4.145 1.00 0.00 H new ATOM 0 HA VAL A 41 5.675 4.377 3.593 1.00 0.00 H new ATOM 0 HB VAL A 41 6.013 6.140 6.005 1.00 0.00 H new ATOM 0 HG11 VAL A 41 6.784 4.116 7.192 1.00 0.00 H new ATOM 0 HG12 VAL A 41 5.068 4.007 6.732 1.00 0.00 H new ATOM 0 HG13 VAL A 41 6.297 3.122 5.798 1.00 0.00 H new ATOM 0 HG21 VAL A 41 8.371 5.429 5.825 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.973 4.508 4.355 1.00 0.00 H new ATOM 0 HG23 VAL A 41 7.817 6.281 4.363 1.00 0.00 H new ATOM 618 N VAL A 42 3.495 3.569 4.284 1.00 0.00 N ATOM 619 CA VAL A 42 2.167 3.072 4.603 1.00 0.00 C ATOM 620 C VAL A 42 2.269 1.617 5.063 1.00 0.00 C ATOM 621 O VAL A 42 3.223 0.920 4.723 1.00 0.00 O ATOM 622 CB VAL A 42 1.237 3.256 3.402 1.00 0.00 C ATOM 623 CG1 VAL A 42 1.066 4.738 3.063 1.00 0.00 C ATOM 624 CG2 VAL A 42 1.745 2.472 2.190 1.00 0.00 C ATOM 0 H VAL A 42 4.083 2.914 3.769 1.00 0.00 H new ATOM 0 HA VAL A 42 1.732 3.643 5.424 1.00 0.00 H new ATOM 0 HB VAL A 42 0.259 2.859 3.672 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.400 4.841 2.206 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.638 5.260 3.919 1.00 0.00 H new ATOM 0 HG13 VAL A 42 2.037 5.171 2.822 1.00 0.00 H new ATOM 0 HG21 VAL A 42 1.066 2.620 1.350 1.00 0.00 H new ATOM 0 HG22 VAL A 42 2.740 2.826 1.919 1.00 0.00 H new ATOM 0 HG23 VAL A 42 1.792 1.411 2.436 1.00 0.00 H new ATOM 634 N THR A 43 1.271 1.201 5.830 1.00 0.00 N ATOM 635 CA THR A 43 1.236 -0.159 6.340 1.00 0.00 C ATOM 636 C THR A 43 0.057 -0.924 5.737 1.00 0.00 C ATOM 637 O THR A 43 -1.093 -0.511 5.877 1.00 0.00 O ATOM 638 CB THR A 43 1.198 -0.090 7.868 1.00 0.00 C ATOM 639 OG1 THR A 43 2.488 0.400 8.225 1.00 0.00 O ATOM 640 CG2 THR A 43 1.133 -1.474 8.515 1.00 0.00 C ATOM 0 H THR A 43 0.481 1.782 6.110 1.00 0.00 H new ATOM 0 HA THR A 43 2.127 -0.714 6.047 1.00 0.00 H new ATOM 0 HB THR A 43 0.337 0.499 8.184 1.00 0.00 H new ATOM 0 HG1 THR A 43 2.550 0.477 9.200 1.00 0.00 H new ATOM 0 HG21 THR A 43 1.108 -1.368 9.600 1.00 0.00 H new ATOM 0 HG22 THR A 43 0.233 -1.990 8.180 1.00 0.00 H new ATOM 0 HG23 THR A 43 2.011 -2.052 8.227 1.00 0.00 H new ATOM 648 N ILE A 44 0.382 -2.027 5.079 1.00 0.00 N ATOM 649 CA ILE A 44 -0.636 -2.855 4.455 1.00 0.00 C ATOM 650 C ILE A 44 -1.650 -3.293 5.513 1.00 0.00 C ATOM 651 O ILE A 44 -1.335 -4.105 6.381 1.00 0.00 O ATOM 652 CB ILE A 44 0.009 -4.020 3.701 1.00 0.00 C ATOM 653 CG1 ILE A 44 0.973 -3.511 2.627 1.00 0.00 C ATOM 654 CG2 ILE A 44 -1.055 -4.952 3.119 1.00 0.00 C ATOM 655 CD1 ILE A 44 0.213 -3.040 1.386 1.00 0.00 C ATOM 0 H ILE A 44 1.337 -2.367 4.964 1.00 0.00 H new ATOM 0 HA ILE A 44 -1.184 -2.285 3.705 1.00 0.00 H new ATOM 0 HB ILE A 44 0.596 -4.603 4.411 1.00 0.00 H new ATOM 0 HG12 ILE A 44 1.568 -2.690 3.027 1.00 0.00 H new ATOM 0 HG13 ILE A 44 1.669 -4.304 2.352 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -0.570 -5.771 2.588 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -1.667 -5.354 3.926 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -1.687 -4.395 2.427 1.00 0.00 H new ATOM 0 HD11 ILE A 44 0.922 -2.683 0.639 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -0.361 -3.870 0.974 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -0.464 -2.231 1.659 1.00 0.00 H new ATOM 667 N LEU A 45 -2.848 -2.737 5.405 1.00 0.00 N ATOM 668 CA LEU A 45 -3.910 -3.060 6.341 1.00 0.00 C ATOM 669 C LEU A 45 -4.471 -4.445 6.012 1.00 0.00 C ATOM 670 O LEU A 45 -4.546 -5.311 6.882 1.00 0.00 O ATOM 671 CB LEU A 45 -4.969 -1.955 6.353 1.00 0.00 C ATOM 672 CG LEU A 45 -4.484 -0.566 6.771 1.00 0.00 C ATOM 673 CD1 LEU A 45 -5.479 0.514 6.344 1.00 0.00 C ATOM 674 CD2 LEU A 45 -4.193 -0.515 8.272 1.00 0.00 C ATOM 0 H LEU A 45 -3.106 -2.065 4.683 1.00 0.00 H new ATOM 0 HA LEU A 45 -3.520 -3.107 7.358 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.401 -1.882 5.355 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -5.772 -2.256 7.026 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.546 -0.363 6.254 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.110 1.492 6.654 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -5.593 0.496 5.260 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -6.444 0.325 6.814 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.850 0.484 8.542 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.101 -0.749 8.827 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.420 -1.243 8.518 1.00 0.00 H new ATOM 686 N GLU A 46 -4.850 -4.611 4.753 1.00 0.00 N ATOM 687 CA GLU A 46 -5.401 -5.876 4.298 1.00 0.00 C ATOM 688 C GLU A 46 -5.032 -6.119 2.833 1.00 0.00 C ATOM 689 O GLU A 46 -4.364 -5.294 2.212 1.00 0.00 O ATOM 690 CB GLU A 46 -6.917 -5.916 4.496 1.00 0.00 C ATOM 691 CG GLU A 46 -7.292 -6.806 5.683 1.00 0.00 C ATOM 692 CD GLU A 46 -8.661 -6.420 6.247 1.00 0.00 C ATOM 693 OE1 GLU A 46 -8.903 -5.199 6.363 1.00 0.00 O ATOM 694 OE2 GLU A 46 -9.434 -7.354 6.548 1.00 0.00 O ATOM 0 H GLU A 46 -4.786 -3.890 4.034 1.00 0.00 H new ATOM 0 HA GLU A 46 -4.968 -6.676 4.899 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -7.292 -4.906 4.661 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -7.396 -6.290 3.591 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -7.305 -7.850 5.370 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -6.535 -6.717 6.462 1.00 0.00 H new ATOM 701 N ALA A 47 -5.484 -7.255 2.323 1.00 0.00 N ATOM 702 CA ALA A 47 -5.211 -7.617 0.943 1.00 0.00 C ATOM 703 C ALA A 47 -6.194 -6.890 0.024 1.00 0.00 C ATOM 704 O ALA A 47 -7.278 -6.498 0.455 1.00 0.00 O ATOM 705 CB ALA A 47 -5.285 -9.138 0.789 1.00 0.00 C ATOM 0 H ALA A 47 -6.038 -7.937 2.841 1.00 0.00 H new ATOM 0 HA ALA A 47 -4.205 -7.309 0.658 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -5.080 -9.409 -0.247 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -4.546 -9.606 1.440 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -6.281 -9.484 1.064 1.00 0.00 H new ATOM 711 N CYS A 48 -5.782 -6.731 -1.225 1.00 0.00 N ATOM 712 CA CYS A 48 -6.614 -6.057 -2.207 1.00 0.00 C ATOM 713 C CYS A 48 -8.055 -6.537 -2.027 1.00 0.00 C ATOM 714 O CYS A 48 -8.290 -7.705 -1.721 1.00 0.00 O ATOM 715 CB CYS A 48 -6.108 -6.291 -3.632 1.00 0.00 C ATOM 716 SG CYS A 48 -6.271 -8.061 -4.071 1.00 0.00 S ATOM 0 H CYS A 48 -4.883 -7.057 -1.579 1.00 0.00 H new ATOM 0 HA CYS A 48 -6.569 -4.980 -2.048 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -6.676 -5.680 -4.333 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -5.066 -5.982 -3.712 1.00 0.00 H new ATOM 0 HG CYS A 48 -7.165 -8.617 -3.309 1.00 0.00 H new ATOM 722 N GLU A 49 -8.982 -5.611 -2.224 1.00 0.00 N ATOM 723 CA GLU A 49 -10.394 -5.925 -2.087 1.00 0.00 C ATOM 724 C GLU A 49 -11.229 -5.027 -3.002 1.00 0.00 C ATOM 725 O GLU A 49 -12.197 -4.411 -2.558 1.00 0.00 O ATOM 726 CB GLU A 49 -10.846 -5.797 -0.631 1.00 0.00 C ATOM 727 CG GLU A 49 -12.149 -6.562 -0.391 1.00 0.00 C ATOM 728 CD GLU A 49 -13.185 -5.676 0.303 1.00 0.00 C ATOM 729 OE1 GLU A 49 -12.798 -5.019 1.293 1.00 0.00 O ATOM 730 OE2 GLU A 49 -14.341 -5.675 -0.174 1.00 0.00 O ATOM 0 H GLU A 49 -8.783 -4.643 -2.477 1.00 0.00 H new ATOM 0 HA GLU A 49 -10.547 -6.961 -2.390 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -10.068 -6.180 0.030 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -10.987 -4.745 -0.381 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -12.547 -6.917 -1.342 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -11.951 -7.443 0.220 1.00 0.00 H new ATOM 737 N ASN A 50 -10.824 -4.980 -4.262 1.00 0.00 N ATOM 738 CA ASN A 50 -11.523 -4.166 -5.243 1.00 0.00 C ATOM 739 C ASN A 50 -11.139 -4.630 -6.650 1.00 0.00 C ATOM 740 O ASN A 50 -11.933 -5.276 -7.332 1.00 0.00 O ATOM 741 CB ASN A 50 -11.138 -2.691 -5.110 1.00 0.00 C ATOM 742 CG ASN A 50 -12.318 -1.861 -4.602 1.00 0.00 C ATOM 743 OD1 ASN A 50 -13.254 -2.366 -4.004 1.00 0.00 O ATOM 744 ND2 ASN A 50 -12.222 -0.562 -4.873 1.00 0.00 N ATOM 0 H ASN A 50 -10.021 -5.492 -4.627 1.00 0.00 H new ATOM 0 HA ASN A 50 -12.594 -4.276 -5.071 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -10.297 -2.591 -4.424 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -10.809 -2.309 -6.076 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -12.960 0.077 -4.576 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -11.411 -0.205 -5.378 1.00 0.00 H new ATOM 751 N LYS A 51 -9.922 -4.282 -7.042 1.00 0.00 N ATOM 752 CA LYS A 51 -9.424 -4.655 -8.355 1.00 0.00 C ATOM 753 C LYS A 51 -7.903 -4.815 -8.292 1.00 0.00 C ATOM 754 O LYS A 51 -7.394 -5.935 -8.267 1.00 0.00 O ATOM 755 CB LYS A 51 -9.893 -3.651 -9.410 1.00 0.00 C ATOM 756 CG LYS A 51 -11.335 -3.212 -9.147 1.00 0.00 C ATOM 757 CD LYS A 51 -11.797 -2.193 -10.190 1.00 0.00 C ATOM 758 CE LYS A 51 -13.214 -1.703 -9.888 1.00 0.00 C ATOM 759 NZ LYS A 51 -14.144 -2.114 -10.964 1.00 0.00 N ATOM 0 H LYS A 51 -9.266 -3.746 -6.473 1.00 0.00 H new ATOM 0 HA LYS A 51 -9.834 -5.618 -8.659 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -9.237 -2.780 -9.405 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -9.821 -4.099 -10.401 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -11.993 -4.081 -9.166 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -11.410 -2.777 -8.150 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -11.111 -1.346 -10.205 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -11.768 -2.644 -11.182 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -13.550 -2.109 -8.934 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -13.217 -0.617 -9.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -15.102 -1.774 -10.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -13.831 -1.706 -11.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -14.154 -3.151 -11.037 1.00 0.00 H new ATOM 773 N SER A 52 -7.221 -3.680 -8.267 1.00 0.00 N ATOM 774 CA SER A 52 -5.769 -3.681 -8.208 1.00 0.00 C ATOM 775 C SER A 52 -5.284 -2.580 -7.263 1.00 0.00 C ATOM 776 O SER A 52 -4.413 -1.788 -7.621 1.00 0.00 O ATOM 777 CB SER A 52 -5.161 -3.492 -9.599 1.00 0.00 C ATOM 778 OG SER A 52 -4.053 -4.361 -9.819 1.00 0.00 O ATOM 0 H SER A 52 -7.647 -2.753 -8.287 1.00 0.00 H new ATOM 0 HA SER A 52 -5.443 -4.649 -7.827 1.00 0.00 H new ATOM 0 HB2 SER A 52 -5.923 -3.677 -10.356 1.00 0.00 H new ATOM 0 HB3 SER A 52 -4.839 -2.457 -9.717 1.00 0.00 H new ATOM 0 HG SER A 52 -3.694 -4.211 -10.718 1.00 0.00 H new ATOM 784 N TRP A 53 -5.868 -2.565 -6.073 1.00 0.00 N ATOM 785 CA TRP A 53 -5.506 -1.574 -5.074 1.00 0.00 C ATOM 786 C TRP A 53 -5.140 -2.314 -3.786 1.00 0.00 C ATOM 787 O TRP A 53 -5.392 -3.511 -3.660 1.00 0.00 O ATOM 788 CB TRP A 53 -6.630 -0.555 -4.880 1.00 0.00 C ATOM 789 CG TRP A 53 -6.833 0.382 -6.072 1.00 0.00 C ATOM 790 CD1 TRP A 53 -7.174 0.059 -7.327 1.00 0.00 C ATOM 791 CD2 TRP A 53 -6.694 1.819 -6.069 1.00 0.00 C ATOM 792 NE1 TRP A 53 -7.264 1.177 -8.130 1.00 0.00 N ATOM 793 CE2 TRP A 53 -6.963 2.281 -7.341 1.00 0.00 C ATOM 794 CE3 TRP A 53 -6.351 2.698 -5.027 1.00 0.00 C ATOM 795 CZ2 TRP A 53 -6.917 3.637 -7.690 1.00 0.00 C ATOM 796 CZ3 TRP A 53 -6.311 4.049 -5.391 1.00 0.00 C ATOM 797 CH2 TRP A 53 -6.579 4.531 -6.667 1.00 0.00 C ATOM 0 H TRP A 53 -6.589 -3.223 -5.779 1.00 0.00 H new ATOM 0 HA TRP A 53 -4.642 -0.995 -5.400 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -7.561 -1.088 -4.688 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -6.416 0.042 -3.994 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -7.356 -0.950 -7.667 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -7.507 1.191 -9.121 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -6.135 2.358 -4.025 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -7.131 3.974 -8.693 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -6.054 4.767 -4.627 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -6.527 5.591 -6.868 1.00 0.00 H new ATOM 808 N TYR A 54 -4.551 -1.570 -2.860 1.00 0.00 N ATOM 809 CA TYR A 54 -4.149 -2.141 -1.586 1.00 0.00 C ATOM 810 C TYR A 54 -4.465 -1.186 -0.433 1.00 0.00 C ATOM 811 O TYR A 54 -4.073 -0.020 -0.463 1.00 0.00 O ATOM 812 CB TYR A 54 -2.633 -2.334 -1.671 1.00 0.00 C ATOM 813 CG TYR A 54 -2.210 -3.673 -2.278 1.00 0.00 C ATOM 814 CD1 TYR A 54 -2.065 -3.797 -3.644 1.00 0.00 C ATOM 815 CD2 TYR A 54 -1.974 -4.758 -1.458 1.00 0.00 C ATOM 816 CE1 TYR A 54 -1.666 -5.057 -4.215 1.00 0.00 C ATOM 817 CE2 TYR A 54 -1.575 -6.019 -2.029 1.00 0.00 C ATOM 818 CZ TYR A 54 -1.441 -6.106 -3.379 1.00 0.00 C ATOM 819 OH TYR A 54 -1.065 -7.297 -3.919 1.00 0.00 O ATOM 0 H TYR A 54 -4.343 -0.577 -2.967 1.00 0.00 H new ATOM 0 HA TYR A 54 -4.680 -3.074 -1.399 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -2.207 -1.526 -2.266 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -2.210 -2.250 -0.670 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -2.251 -2.948 -4.286 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -2.088 -4.662 -0.388 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -1.548 -5.167 -5.283 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -1.387 -6.876 -1.399 1.00 0.00 H new ATOM 0 HH TYR A 54 -1.239 -7.289 -4.883 1.00 0.00 H new ATOM 829 N ARG A 55 -5.172 -1.716 0.555 1.00 0.00 N ATOM 830 CA ARG A 55 -5.545 -0.925 1.715 1.00 0.00 C ATOM 831 C ARG A 55 -4.354 -0.778 2.663 1.00 0.00 C ATOM 832 O ARG A 55 -3.922 -1.752 3.278 1.00 0.00 O ATOM 833 CB ARG A 55 -6.711 -1.569 2.468 1.00 0.00 C ATOM 834 CG ARG A 55 -7.319 -0.592 3.476 1.00 0.00 C ATOM 835 CD ARG A 55 -8.107 -1.337 4.555 1.00 0.00 C ATOM 836 NE ARG A 55 -9.213 -0.488 5.052 1.00 0.00 N ATOM 837 CZ ARG A 55 -10.368 -0.302 4.399 1.00 0.00 C ATOM 838 NH1 ARG A 55 -10.576 -0.903 3.219 1.00 0.00 N ATOM 839 NH2 ARG A 55 -11.316 0.486 4.925 1.00 0.00 N ATOM 0 H ARG A 55 -5.496 -2.683 0.576 1.00 0.00 H new ATOM 0 HA ARG A 55 -5.854 0.058 1.360 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -7.475 -1.888 1.759 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -6.364 -2.463 2.986 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -6.528 -0.003 3.940 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -7.976 0.108 2.959 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -8.506 -2.267 4.149 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -7.446 -1.606 5.379 1.00 0.00 H new ATOM 0 HE ARG A 55 -9.088 -0.015 5.947 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -9.855 -1.502 2.818 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -11.456 -0.761 2.722 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -11.158 0.944 5.823 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -12.195 0.628 4.428 1.00 0.00 H new ATOM 853 N VAL A 56 -3.856 0.446 2.752 1.00 0.00 N ATOM 854 CA VAL A 56 -2.723 0.733 3.615 1.00 0.00 C ATOM 855 C VAL A 56 -3.097 1.857 4.584 1.00 0.00 C ATOM 856 O VAL A 56 -4.149 2.478 4.444 1.00 0.00 O ATOM 857 CB VAL A 56 -1.490 1.058 2.769 1.00 0.00 C ATOM 858 CG1 VAL A 56 -1.248 -0.023 1.714 1.00 0.00 C ATOM 859 CG2 VAL A 56 -1.618 2.438 2.121 1.00 0.00 C ATOM 0 H VAL A 56 -4.217 1.251 2.240 1.00 0.00 H new ATOM 0 HA VAL A 56 -2.468 -0.141 4.214 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.625 1.078 3.432 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.366 0.233 1.127 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -1.091 -0.983 2.206 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -2.115 -0.090 1.056 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.729 2.644 1.525 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -2.498 2.458 1.478 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -1.719 3.197 2.897 1.00 0.00 H new ATOM 869 N LYS A 57 -2.213 2.084 5.545 1.00 0.00 N ATOM 870 CA LYS A 57 -2.437 3.122 6.537 1.00 0.00 C ATOM 871 C LYS A 57 -1.264 4.104 6.515 1.00 0.00 C ATOM 872 O LYS A 57 -0.114 3.707 6.695 1.00 0.00 O ATOM 873 CB LYS A 57 -2.695 2.503 7.912 1.00 0.00 C ATOM 874 CG LYS A 57 -2.846 3.586 8.982 1.00 0.00 C ATOM 875 CD LYS A 57 -1.615 3.637 9.889 1.00 0.00 C ATOM 876 CE LYS A 57 -1.930 4.357 11.201 1.00 0.00 C ATOM 877 NZ LYS A 57 -0.978 3.948 12.258 1.00 0.00 N ATOM 0 H LYS A 57 -1.341 1.567 5.658 1.00 0.00 H new ATOM 0 HA LYS A 57 -3.335 3.691 6.296 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -3.598 1.894 7.877 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -1.872 1.839 8.176 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -2.991 4.555 8.505 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -3.735 3.389 9.581 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -1.272 2.624 10.099 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -0.801 4.149 9.375 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -1.877 5.436 11.053 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -2.949 4.128 11.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -1.206 4.446 13.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -1.049 2.922 12.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -0.010 4.189 11.965 1.00 0.00 H new ATOM 891 N HIS A 58 -1.596 5.368 6.293 1.00 0.00 N ATOM 892 CA HIS A 58 -0.584 6.409 6.245 1.00 0.00 C ATOM 893 C HIS A 58 -0.076 6.697 7.660 1.00 0.00 C ATOM 894 O HIS A 58 -0.846 7.104 8.529 1.00 0.00 O ATOM 895 CB HIS A 58 -1.122 7.658 5.544 1.00 0.00 C ATOM 896 CG HIS A 58 -0.054 8.513 4.906 1.00 0.00 C ATOM 897 ND1 HIS A 58 0.823 9.291 5.643 1.00 0.00 N ATOM 898 CD2 HIS A 58 0.271 8.704 3.595 1.00 0.00 C ATOM 899 CE1 HIS A 58 1.633 9.918 4.803 1.00 0.00 C ATOM 900 NE2 HIS A 58 1.289 9.553 3.535 1.00 0.00 N ATOM 0 H HIS A 58 -2.551 5.694 6.145 1.00 0.00 H new ATOM 0 HA HIS A 58 0.265 6.068 5.653 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -1.835 7.353 4.778 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -1.671 8.260 6.268 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -0.217 8.243 2.749 1.00 0.00 H new ATOM 0 HE1 HIS A 58 2.426 10.599 5.075 1.00 0.00 H new ATOM 0 HE2 HIS A 58 1.740 9.879 2.680 1.00 0.00 H new ATOM 908 N HIS A 59 1.216 6.474 7.847 1.00 0.00 N ATOM 909 CA HIS A 59 1.836 6.704 9.140 1.00 0.00 C ATOM 910 C HIS A 59 1.619 8.158 9.562 1.00 0.00 C ATOM 911 O HIS A 59 0.873 8.432 10.501 1.00 0.00 O ATOM 912 CB HIS A 59 3.314 6.308 9.113 1.00 0.00 C ATOM 913 CG HIS A 59 3.731 5.410 10.253 1.00 0.00 C ATOM 914 ND1 HIS A 59 4.930 5.563 10.928 1.00 0.00 N ATOM 915 CD2 HIS A 59 3.096 4.350 10.831 1.00 0.00 C ATOM 916 CE1 HIS A 59 5.003 4.630 11.866 1.00 0.00 C ATOM 917 NE2 HIS A 59 3.866 3.880 11.805 1.00 0.00 N ATOM 0 H HIS A 59 1.851 6.136 7.124 1.00 0.00 H new ATOM 0 HA HIS A 59 1.364 6.070 9.891 1.00 0.00 H new ATOM 0 HB2 HIS A 59 3.527 5.804 8.170 1.00 0.00 H new ATOM 0 HB3 HIS A 59 3.922 7.212 9.135 1.00 0.00 H new ATOM 0 HD2 HIS A 59 2.131 3.959 10.545 1.00 0.00 H new ATOM 0 HE1 HIS A 59 5.820 4.488 12.558 1.00 0.00 H new ATOM 0 HE2 HIS A 59 3.644 3.088 12.408 1.00 0.00 H new ATOM 925 N THR A 60 2.286 9.053 8.848 1.00 0.00 N ATOM 926 CA THR A 60 2.175 10.473 9.136 1.00 0.00 C ATOM 927 C THR A 60 0.706 10.877 9.272 1.00 0.00 C ATOM 928 O THR A 60 0.271 11.300 10.343 1.00 0.00 O ATOM 929 CB THR A 60 2.916 11.238 8.037 1.00 0.00 C ATOM 930 OG1 THR A 60 4.293 11.040 8.345 1.00 0.00 O ATOM 931 CG2 THR A 60 2.723 12.752 8.145 1.00 0.00 C ATOM 0 H THR A 60 2.905 8.822 8.071 1.00 0.00 H new ATOM 0 HA THR A 60 2.637 10.719 10.092 1.00 0.00 H new ATOM 0 HB THR A 60 2.570 10.897 7.061 1.00 0.00 H new ATOM 0 HG1 THR A 60 4.846 11.501 7.681 1.00 0.00 H new ATOM 0 HG21 THR A 60 3.269 13.247 7.342 1.00 0.00 H new ATOM 0 HG22 THR A 60 1.663 12.990 8.063 1.00 0.00 H new ATOM 0 HG23 THR A 60 3.099 13.099 9.107 1.00 0.00 H new ATOM 939 N SER A 61 -0.019 10.733 8.173 1.00 0.00 N ATOM 940 CA SER A 61 -1.430 11.077 8.156 1.00 0.00 C ATOM 941 C SER A 61 -2.166 10.324 9.266 1.00 0.00 C ATOM 942 O SER A 61 -2.512 10.906 10.292 1.00 0.00 O ATOM 943 CB SER A 61 -2.058 10.765 6.796 1.00 0.00 C ATOM 944 OG SER A 61 -2.702 11.903 6.231 1.00 0.00 O ATOM 0 H SER A 61 0.345 10.382 7.287 1.00 0.00 H new ATOM 0 HA SER A 61 -1.522 12.149 8.330 1.00 0.00 H new ATOM 0 HB2 SER A 61 -1.286 10.409 6.113 1.00 0.00 H new ATOM 0 HB3 SER A 61 -2.781 9.957 6.908 1.00 0.00 H new ATOM 0 HG SER A 61 -3.088 11.663 5.363 1.00 0.00 H new ATOM 950 N GLY A 62 -2.383 9.040 9.022 1.00 0.00 N ATOM 951 CA GLY A 62 -3.071 8.200 9.988 1.00 0.00 C ATOM 952 C GLY A 62 -4.445 7.777 9.466 1.00 0.00 C ATOM 953 O GLY A 62 -5.279 7.288 10.227 1.00 0.00 O ATOM 0 H GLY A 62 -2.094 8.561 8.169 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -2.470 7.315 10.199 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -3.185 8.740 10.928 1.00 0.00 H new ATOM 957 N GLN A 63 -4.640 7.981 8.172 1.00 0.00 N ATOM 958 CA GLN A 63 -5.899 7.627 7.539 1.00 0.00 C ATOM 959 C GLN A 63 -5.830 6.206 6.977 1.00 0.00 C ATOM 960 O GLN A 63 -4.810 5.531 7.111 1.00 0.00 O ATOM 961 CB GLN A 63 -6.264 8.632 6.445 1.00 0.00 C ATOM 962 CG GLN A 63 -5.813 10.044 6.823 1.00 0.00 C ATOM 963 CD GLN A 63 -6.049 10.315 8.311 1.00 0.00 C ATOM 964 OE1 GLN A 63 -7.089 10.003 8.867 1.00 0.00 O ATOM 965 NE2 GLN A 63 -5.029 10.911 8.921 1.00 0.00 N ATOM 0 H GLN A 63 -3.947 8.387 7.544 1.00 0.00 H new ATOM 0 HA GLN A 63 -6.684 7.660 8.294 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -5.797 8.337 5.505 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -7.342 8.622 6.282 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -4.755 10.166 6.591 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -6.357 10.776 6.226 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -4.187 11.145 8.396 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -5.089 11.134 9.914 1.00 0.00 H new ATOM 974 N GLU A 64 -6.927 5.793 6.361 1.00 0.00 N ATOM 975 CA GLU A 64 -7.004 4.464 5.779 1.00 0.00 C ATOM 976 C GLU A 64 -7.760 4.510 4.450 1.00 0.00 C ATOM 977 O GLU A 64 -8.971 4.721 4.427 1.00 0.00 O ATOM 978 CB GLU A 64 -7.658 3.477 6.748 1.00 0.00 C ATOM 979 CG GLU A 64 -6.942 3.480 8.100 1.00 0.00 C ATOM 980 CD GLU A 64 -7.768 2.749 9.160 1.00 0.00 C ATOM 981 OE1 GLU A 64 -8.754 3.356 9.630 1.00 0.00 O ATOM 982 OE2 GLU A 64 -7.395 1.598 9.476 1.00 0.00 O ATOM 0 H GLU A 64 -7.771 6.356 6.252 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.990 4.114 5.586 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -8.707 3.739 6.887 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -7.634 2.474 6.322 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -5.967 3.002 8.000 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -6.763 4.507 8.418 1.00 0.00 H new ATOM 989 N GLY A 65 -7.014 4.307 3.374 1.00 0.00 N ATOM 990 CA GLY A 65 -7.599 4.323 2.044 1.00 0.00 C ATOM 991 C GLY A 65 -6.835 3.393 1.098 1.00 0.00 C ATOM 992 O GLY A 65 -5.709 2.993 1.390 1.00 0.00 O ATOM 0 H GLY A 65 -6.010 4.131 3.396 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -8.643 4.015 2.098 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -7.587 5.339 1.650 1.00 0.00 H new ATOM 996 N LEU A 66 -7.478 3.076 -0.016 1.00 0.00 N ATOM 997 CA LEU A 66 -6.874 2.201 -1.006 1.00 0.00 C ATOM 998 C LEU A 66 -5.634 2.880 -1.592 1.00 0.00 C ATOM 999 O LEU A 66 -5.484 4.097 -1.494 1.00 0.00 O ATOM 1000 CB LEU A 66 -7.905 1.791 -2.059 1.00 0.00 C ATOM 1001 CG LEU A 66 -9.015 0.851 -1.581 1.00 0.00 C ATOM 1002 CD1 LEU A 66 -8.428 -0.411 -0.946 1.00 0.00 C ATOM 1003 CD2 LEU A 66 -9.976 1.575 -0.636 1.00 0.00 C ATOM 0 H LEU A 66 -8.412 3.410 -0.255 1.00 0.00 H new ATOM 0 HA LEU A 66 -6.541 1.273 -0.541 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -8.367 2.694 -2.457 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -7.380 1.311 -2.885 1.00 0.00 H new ATOM 0 HG LEU A 66 -9.594 0.535 -2.449 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -9.237 -1.062 -0.615 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -7.817 -0.937 -1.679 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -7.811 -0.135 -0.091 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -10.755 0.885 -0.311 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -9.427 1.938 0.233 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -10.431 2.418 -1.156 1.00 0.00 H new ATOM 1015 N LEU A 67 -4.777 2.064 -2.187 1.00 0.00 N ATOM 1016 CA LEU A 67 -3.556 2.571 -2.789 1.00 0.00 C ATOM 1017 C LEU A 67 -3.273 1.804 -4.082 1.00 0.00 C ATOM 1018 O LEU A 67 -3.369 0.578 -4.116 1.00 0.00 O ATOM 1019 CB LEU A 67 -2.404 2.524 -1.782 1.00 0.00 C ATOM 1020 CG LEU A 67 -1.514 3.767 -1.723 1.00 0.00 C ATOM 1021 CD1 LEU A 67 -0.473 3.643 -0.609 1.00 0.00 C ATOM 1022 CD2 LEU A 67 -0.869 4.045 -3.082 1.00 0.00 C ATOM 0 H LEU A 67 -4.904 1.055 -2.265 1.00 0.00 H new ATOM 0 HA LEU A 67 -3.672 3.621 -3.059 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.822 2.353 -0.790 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.777 1.664 -2.017 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.142 4.625 -1.483 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.147 4.540 -0.589 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.978 3.529 0.350 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.155 2.772 -0.794 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.242 4.934 -3.012 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.258 3.192 -3.376 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.647 4.208 -3.828 1.00 0.00 H new ATOM 1034 N ALA A 68 -2.930 2.558 -5.116 1.00 0.00 N ATOM 1035 CA ALA A 68 -2.633 1.966 -6.409 1.00 0.00 C ATOM 1036 C ALA A 68 -1.631 0.824 -6.224 1.00 0.00 C ATOM 1037 O ALA A 68 -0.500 1.050 -5.796 1.00 0.00 O ATOM 1038 CB ALA A 68 -2.117 3.047 -7.360 1.00 0.00 C ATOM 0 H ALA A 68 -2.851 3.574 -5.084 1.00 0.00 H new ATOM 0 HA ALA A 68 -3.534 1.545 -6.854 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -1.894 2.602 -8.330 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -2.877 3.819 -7.481 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -1.211 3.492 -6.948 1.00 0.00 H new ATOM 1044 N ALA A 69 -2.082 -0.376 -6.556 1.00 0.00 N ATOM 1045 CA ALA A 69 -1.239 -1.553 -6.432 1.00 0.00 C ATOM 1046 C ALA A 69 0.000 -1.383 -7.313 1.00 0.00 C ATOM 1047 O ALA A 69 1.075 -1.881 -6.983 1.00 0.00 O ATOM 1048 CB ALA A 69 -2.047 -2.801 -6.795 1.00 0.00 C ATOM 0 H ALA A 69 -3.021 -0.559 -6.911 1.00 0.00 H new ATOM 0 HA ALA A 69 -0.898 -1.674 -5.404 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -1.414 -3.684 -6.702 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -2.899 -2.892 -6.121 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -2.404 -2.717 -7.821 1.00 0.00 H new ATOM 1054 N GLY A 70 -0.192 -0.678 -8.419 1.00 0.00 N ATOM 1055 CA GLY A 70 0.896 -0.436 -9.350 1.00 0.00 C ATOM 1056 C GLY A 70 1.574 0.906 -9.066 1.00 0.00 C ATOM 1057 O GLY A 70 1.951 1.624 -9.991 1.00 0.00 O ATOM 0 H GLY A 70 -1.085 -0.267 -8.691 1.00 0.00 H new ATOM 0 HA2 GLY A 70 1.628 -1.240 -9.276 1.00 0.00 H new ATOM 0 HA3 GLY A 70 0.514 -0.446 -10.371 1.00 0.00 H new ATOM 1061 N ALA A 71 1.707 1.205 -7.782 1.00 0.00 N ATOM 1062 CA ALA A 71 2.332 2.448 -7.364 1.00 0.00 C ATOM 1063 C ALA A 71 2.946 2.263 -5.974 1.00 0.00 C ATOM 1064 O ALA A 71 3.130 3.233 -5.240 1.00 0.00 O ATOM 1065 CB ALA A 71 1.300 3.576 -7.400 1.00 0.00 C ATOM 0 H ALA A 71 1.392 0.608 -7.017 1.00 0.00 H new ATOM 0 HA ALA A 71 3.137 2.721 -8.046 1.00 0.00 H new ATOM 0 HB1 ALA A 71 1.769 4.509 -7.086 1.00 0.00 H new ATOM 0 HB2 ALA A 71 0.916 3.686 -8.414 1.00 0.00 H new ATOM 0 HB3 ALA A 71 0.478 3.339 -6.725 1.00 0.00 H new ATOM 1071 N LEU A 72 3.245 1.013 -5.656 1.00 0.00 N ATOM 1072 CA LEU A 72 3.834 0.689 -4.368 1.00 0.00 C ATOM 1073 C LEU A 72 5.176 -0.012 -4.587 1.00 0.00 C ATOM 1074 O LEU A 72 5.379 -0.667 -5.609 1.00 0.00 O ATOM 1075 CB LEU A 72 2.850 -0.118 -3.517 1.00 0.00 C ATOM 1076 CG LEU A 72 1.482 0.525 -3.284 1.00 0.00 C ATOM 1077 CD1 LEU A 72 0.483 -0.496 -2.734 1.00 0.00 C ATOM 1078 CD2 LEU A 72 1.600 1.755 -2.381 1.00 0.00 C ATOM 0 H LEU A 72 3.091 0.212 -6.268 1.00 0.00 H new ATOM 0 HA LEU A 72 4.038 1.598 -3.803 1.00 0.00 H new ATOM 0 HB2 LEU A 72 2.698 -1.087 -3.993 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.310 -0.308 -2.547 1.00 0.00 H new ATOM 0 HG LEU A 72 1.098 0.867 -4.245 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -0.482 -0.013 -2.577 1.00 0.00 H new ATOM 0 HD12 LEU A 72 0.368 -1.313 -3.446 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.850 -0.890 -1.786 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.613 2.193 -2.232 1.00 0.00 H new ATOM 0 HD22 LEU A 72 2.016 1.460 -1.417 1.00 0.00 H new ATOM 0 HD23 LEU A 72 2.255 2.489 -2.850 1.00 0.00 H new ATOM 1090 N ARG A 73 6.057 0.148 -3.611 1.00 0.00 N ATOM 1091 CA ARG A 73 7.375 -0.461 -3.685 1.00 0.00 C ATOM 1092 C ARG A 73 7.854 -0.859 -2.287 1.00 0.00 C ATOM 1093 O ARG A 73 7.228 -0.506 -1.289 1.00 0.00 O ATOM 1094 CB ARG A 73 8.390 0.496 -4.312 1.00 0.00 C ATOM 1095 CG ARG A 73 8.505 1.785 -3.496 1.00 0.00 C ATOM 1096 CD ARG A 73 9.868 1.878 -2.806 1.00 0.00 C ATOM 1097 NE ARG A 73 10.283 3.294 -2.693 1.00 0.00 N ATOM 1098 CZ ARG A 73 10.806 4.007 -3.701 1.00 0.00 C ATOM 1099 NH1 ARG A 73 10.981 3.439 -4.902 1.00 0.00 N ATOM 1100 NH2 ARG A 73 11.153 5.286 -3.507 1.00 0.00 N ATOM 0 H ARG A 73 5.885 0.690 -2.765 1.00 0.00 H new ATOM 0 HA ARG A 73 7.296 -1.349 -4.312 1.00 0.00 H new ATOM 0 HB2 ARG A 73 9.364 0.011 -4.371 1.00 0.00 H new ATOM 0 HB3 ARG A 73 8.089 0.733 -5.333 1.00 0.00 H new ATOM 0 HG2 ARG A 73 8.364 2.647 -4.149 1.00 0.00 H new ATOM 0 HG3 ARG A 73 7.712 1.818 -2.749 1.00 0.00 H new ATOM 0 HD2 ARG A 73 9.815 1.426 -1.816 1.00 0.00 H new ATOM 0 HD3 ARG A 73 10.611 1.317 -3.373 1.00 0.00 H new ATOM 0 HE ARG A 73 10.164 3.757 -1.792 1.00 0.00 H new ATOM 0 HH11 ARG A 73 10.716 2.465 -5.049 1.00 0.00 H new ATOM 0 HH12 ARG A 73 11.379 3.981 -5.669 1.00 0.00 H new ATOM 0 HH21 ARG A 73 11.019 5.718 -2.593 1.00 0.00 H new ATOM 0 HH22 ARG A 73 11.551 5.828 -4.274 1.00 0.00 H new ATOM 1114 N GLU A 74 8.960 -1.588 -2.261 1.00 0.00 N ATOM 1115 CA GLU A 74 9.531 -2.037 -1.003 1.00 0.00 C ATOM 1116 C GLU A 74 10.503 -0.989 -0.457 1.00 0.00 C ATOM 1117 O GLU A 74 11.603 -0.825 -0.982 1.00 0.00 O ATOM 1118 CB GLU A 74 10.221 -3.393 -1.167 1.00 0.00 C ATOM 1119 CG GLU A 74 10.114 -4.221 0.116 1.00 0.00 C ATOM 1120 CD GLU A 74 11.195 -5.303 0.161 1.00 0.00 C ATOM 1121 OE1 GLU A 74 11.192 -6.147 -0.761 1.00 0.00 O ATOM 1122 OE2 GLU A 74 12.000 -5.261 1.116 1.00 0.00 O ATOM 0 H GLU A 74 9.476 -1.879 -3.091 1.00 0.00 H new ATOM 0 HA GLU A 74 8.722 -2.163 -0.284 1.00 0.00 H new ATOM 0 HB2 GLU A 74 9.768 -3.938 -1.995 1.00 0.00 H new ATOM 0 HB3 GLU A 74 11.270 -3.243 -1.421 1.00 0.00 H new ATOM 0 HG2 GLU A 74 10.211 -3.568 0.984 1.00 0.00 H new ATOM 0 HG3 GLU A 74 9.129 -4.683 0.174 1.00 0.00 H new ATOM 1129 N ARG A 75 10.062 -0.308 0.591 1.00 0.00 N ATOM 1130 CA ARG A 75 10.879 0.719 1.213 1.00 0.00 C ATOM 1131 C ARG A 75 12.329 0.244 1.334 1.00 0.00 C ATOM 1132 O ARG A 75 12.607 -0.747 2.007 1.00 0.00 O ATOM 1133 CB ARG A 75 10.350 1.076 2.604 1.00 0.00 C ATOM 1134 CG ARG A 75 11.011 2.351 3.131 1.00 0.00 C ATOM 1135 CD ARG A 75 10.609 2.617 4.583 1.00 0.00 C ATOM 1136 NE ARG A 75 11.495 3.645 5.174 1.00 0.00 N ATOM 1137 CZ ARG A 75 11.621 3.861 6.490 1.00 0.00 C ATOM 1138 NH1 ARG A 75 10.919 3.124 7.361 1.00 0.00 N ATOM 1139 NH2 ARG A 75 12.449 4.816 6.936 1.00 0.00 N ATOM 0 H ARG A 75 9.149 -0.448 1.025 1.00 0.00 H new ATOM 0 HA ARG A 75 10.835 1.606 0.580 1.00 0.00 H new ATOM 0 HB2 ARG A 75 9.269 1.213 2.562 1.00 0.00 H new ATOM 0 HB3 ARG A 75 10.540 0.252 3.292 1.00 0.00 H new ATOM 0 HG2 ARG A 75 12.095 2.259 3.061 1.00 0.00 H new ATOM 0 HG3 ARG A 75 10.723 3.198 2.509 1.00 0.00 H new ATOM 0 HD2 ARG A 75 9.572 2.950 4.627 1.00 0.00 H new ATOM 0 HD3 ARG A 75 10.672 1.695 5.161 1.00 0.00 H new ATOM 0 HE ARG A 75 12.044 4.225 4.540 1.00 0.00 H new ATOM 0 HH11 ARG A 75 10.288 2.398 7.022 1.00 0.00 H new ATOM 0 HH12 ARG A 75 11.016 3.289 8.363 1.00 0.00 H new ATOM 0 HH21 ARG A 75 12.983 5.378 6.273 1.00 0.00 H new ATOM 0 HH22 ARG A 75 12.545 4.981 7.938 1.00 0.00 H new ATOM 1153 N SER A 76 13.214 0.972 0.670 1.00 0.00 N ATOM 1154 CA SER A 76 14.627 0.637 0.694 1.00 0.00 C ATOM 1155 C SER A 76 15.449 1.862 1.102 1.00 0.00 C ATOM 1156 O SER A 76 15.663 2.767 0.296 1.00 0.00 O ATOM 1157 CB SER A 76 15.093 0.116 -0.667 1.00 0.00 C ATOM 1158 OG SER A 76 14.820 1.041 -1.716 1.00 0.00 O ATOM 0 H SER A 76 12.980 1.793 0.112 1.00 0.00 H new ATOM 0 HA SER A 76 14.778 -0.155 1.428 1.00 0.00 H new ATOM 0 HB2 SER A 76 16.164 -0.085 -0.631 1.00 0.00 H new ATOM 0 HB3 SER A 76 14.598 -0.831 -0.881 1.00 0.00 H new ATOM 0 HG SER A 76 15.067 1.945 -1.428 1.00 0.00 H new ATOM 1164 N GLY A 77 15.886 1.852 2.352 1.00 0.00 N ATOM 1165 CA GLY A 77 16.678 2.951 2.877 1.00 0.00 C ATOM 1166 C GLY A 77 15.837 3.849 3.786 1.00 0.00 C ATOM 1167 O GLY A 77 14.615 3.715 3.839 1.00 0.00 O ATOM 0 H GLY A 77 15.707 1.100 3.017 1.00 0.00 H new ATOM 0 HA2 GLY A 77 17.528 2.557 3.435 1.00 0.00 H new ATOM 0 HA3 GLY A 77 17.082 3.539 2.053 1.00 0.00 H new ATOM 1171 N PRO A 78 16.543 4.768 4.499 1.00 0.00 N ATOM 1172 CA PRO A 78 15.874 5.688 5.403 1.00 0.00 C ATOM 1173 C PRO A 78 15.152 6.792 4.628 1.00 0.00 C ATOM 1174 O PRO A 78 13.949 6.987 4.795 1.00 0.00 O ATOM 1175 CB PRO A 78 16.974 6.219 6.308 1.00 0.00 C ATOM 1176 CG PRO A 78 18.281 5.938 5.585 1.00 0.00 C ATOM 1177 CD PRO A 78 17.990 4.955 4.462 1.00 0.00 C ATOM 0 HA PRO A 78 15.091 5.207 5.989 1.00 0.00 H new ATOM 0 HB2 PRO A 78 16.849 7.287 6.489 1.00 0.00 H new ATOM 0 HB3 PRO A 78 16.952 5.726 7.280 1.00 0.00 H new ATOM 0 HG2 PRO A 78 18.702 6.860 5.185 1.00 0.00 H new ATOM 0 HG3 PRO A 78 19.017 5.524 6.274 1.00 0.00 H new ATOM 0 HD2 PRO A 78 18.314 5.348 3.498 1.00 0.00 H new ATOM 0 HD3 PRO A 78 18.515 4.012 4.615 1.00 0.00 H new ATOM 1185 N SER A 79 15.917 7.485 3.798 1.00 0.00 N ATOM 1186 CA SER A 79 15.366 8.564 2.996 1.00 0.00 C ATOM 1187 C SER A 79 16.398 9.034 1.970 1.00 0.00 C ATOM 1188 O SER A 79 17.164 9.960 2.234 1.00 0.00 O ATOM 1189 CB SER A 79 14.923 9.733 3.878 1.00 0.00 C ATOM 1190 OG SER A 79 14.016 10.599 3.200 1.00 0.00 O ATOM 0 H SER A 79 16.915 7.320 3.663 1.00 0.00 H new ATOM 0 HA SER A 79 14.489 8.187 2.471 1.00 0.00 H new ATOM 0 HB2 SER A 79 14.450 9.347 4.781 1.00 0.00 H new ATOM 0 HB3 SER A 79 15.798 10.300 4.195 1.00 0.00 H new ATOM 0 HG SER A 79 13.755 11.332 3.797 1.00 0.00 H new ATOM 1196 N SER A 80 16.386 8.375 0.821 1.00 0.00 N ATOM 1197 CA SER A 80 17.312 8.714 -0.246 1.00 0.00 C ATOM 1198 C SER A 80 18.752 8.492 0.220 1.00 0.00 C ATOM 1199 O SER A 80 19.061 8.671 1.397 1.00 0.00 O ATOM 1200 CB SER A 80 17.119 10.161 -0.704 1.00 0.00 C ATOM 1201 OG SER A 80 18.143 10.578 -1.603 1.00 0.00 O ATOM 0 H SER A 80 15.749 7.608 0.605 1.00 0.00 H new ATOM 0 HA SER A 80 17.108 8.062 -1.096 1.00 0.00 H new ATOM 0 HB2 SER A 80 16.148 10.261 -1.189 1.00 0.00 H new ATOM 0 HB3 SER A 80 17.110 10.818 0.165 1.00 0.00 H new ATOM 0 HG SER A 80 17.983 11.506 -1.873 1.00 0.00 H new ATOM 1207 N GLY A 81 19.595 8.106 -0.726 1.00 0.00 N ATOM 1208 CA GLY A 81 20.995 7.858 -0.427 1.00 0.00 C ATOM 1209 C GLY A 81 21.687 7.148 -1.592 1.00 0.00 C ATOM 1210 O GLY A 81 21.088 6.951 -2.648 1.00 0.00 O ATOM 0 H GLY A 81 19.335 7.959 -1.701 1.00 0.00 H new ATOM 0 HA2 GLY A 81 21.499 8.802 -0.221 1.00 0.00 H new ATOM 0 HA3 GLY A 81 21.076 7.250 0.474 1.00 0.00 H new TER 1214 GLY A 81