USER MOD reduce.3.24.130724 H: found=0, std=0, add=692, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 692 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 55 THR OG1 : rot 61:sc= 1.24 USER MOD Set 1.2: A 58 THR OG1 : rot -90:sc= -0.281 USER MOD Set 2.1: A 44 ASN : amide:sc= -0.551 K(o=0.75,f=-1.8) USER MOD Set 2.2: A 65 SER OG : rot -37:sc= 1.3 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 ASN : amide:sc= -0.47 X(o=-0.47,f=-0.18) USER MOD Single : A 10 SER OG : rot 180:sc= -0.94 USER MOD Single : A 15 GLN : amide:sc= -0.0788 K(o=-0.079,f=-2.2!) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 SER OG : rot -82:sc= 1.04 USER MOD Single : A 24 TYR OH : rot 180:sc= -1.09 USER MOD Single : A 27 CYS SG : rot 180:sc= 0.117 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl 163:sc= -2.94 (180deg=-3.58!) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 TYR OH : rot 108:sc= 1.22 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 THR OG1 : rot 121:sc= 0.135 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= -0.0982 K(o=-0.098,f=-1) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 HIS : no HD1:sc= -3.01! C(o=-3!,f=-2.6!) USER MOD Single : A 69 GLN : amide:sc= -0.232 K(o=-0.23,f=-1.9!) USER MOD Single : A 75 LYS NZ :NH3+ -119:sc= -0.709 (180deg=-1.87!) USER MOD Single : A 76 SER OG : rot -45:sc= 1.1 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 25.121 10.534 11.442 1.00 0.00 N ATOM 2 CA MET A 1 25.497 11.032 12.791 1.00 0.00 C ATOM 3 C MET A 1 24.721 10.304 13.884 1.00 0.00 C ATOM 4 O MET A 1 25.302 9.593 14.703 1.00 0.00 O ATOM 5 CB MET A 1 25.212 12.534 12.852 1.00 0.00 C ATOM 6 CG MET A 1 26.374 13.394 12.383 1.00 0.00 C ATOM 7 SD MET A 1 25.834 14.946 11.642 1.00 0.00 S ATOM 8 CE MET A 1 27.401 15.793 11.451 1.00 0.00 C ATOM 0 H1 MET A 1 25.664 11.047 10.719 1.00 0.00 H new ATOM 0 H2 MET A 1 25.331 9.517 11.376 1.00 0.00 H new ATOM 0 H3 MET A 1 24.104 10.689 11.286 1.00 0.00 H new ATOM 0 HA MET A 1 26.557 10.843 12.960 1.00 0.00 H new ATOM 0 HB2 MET A 1 24.338 12.754 12.240 1.00 0.00 H new ATOM 0 HB3 MET A 1 24.960 12.806 13.877 1.00 0.00 H new ATOM 0 HG2 MET A 1 27.027 13.608 13.229 1.00 0.00 H new ATOM 0 HG3 MET A 1 26.965 12.835 11.657 1.00 0.00 H new ATOM 0 HE1 MET A 1 27.233 16.772 11.003 1.00 0.00 H new ATOM 0 HE2 MET A 1 27.869 15.916 12.427 1.00 0.00 H new ATOM 0 HE3 MET A 1 28.055 15.207 10.806 1.00 0.00 H new ATOM 20 N ASP A 2 23.404 10.488 13.890 1.00 0.00 N ATOM 21 CA ASP A 2 22.549 9.848 14.883 1.00 0.00 C ATOM 22 C ASP A 2 22.655 8.329 14.797 1.00 0.00 C ATOM 23 O ASP A 2 22.102 7.708 13.889 1.00 0.00 O ATOM 24 CB ASP A 2 21.098 10.285 14.691 1.00 0.00 C ATOM 25 CG ASP A 2 20.553 11.028 15.895 1.00 0.00 C ATOM 26 OD1 ASP A 2 20.014 10.367 16.807 1.00 0.00 O ATOM 27 OD2 ASP A 2 20.664 12.272 15.925 1.00 0.00 O ATOM 0 H ASP A 2 22.907 11.074 13.219 1.00 0.00 H new ATOM 0 HA ASP A 2 22.886 10.159 15.872 1.00 0.00 H new ATOM 0 HB2 ASP A 2 21.028 10.924 13.811 1.00 0.00 H new ATOM 0 HB3 ASP A 2 20.480 9.408 14.498 1.00 0.00 H new ATOM 32 N ASN A 3 23.369 7.736 15.749 1.00 0.00 N ATOM 33 CA ASN A 3 23.550 6.297 15.787 1.00 0.00 C ATOM 34 C ASN A 3 22.215 5.574 15.934 1.00 0.00 C ATOM 35 O ASN A 3 22.100 4.392 15.609 1.00 0.00 O ATOM 36 CB ASN A 3 24.477 5.929 16.943 1.00 0.00 C ATOM 37 CG ASN A 3 24.106 6.630 18.235 1.00 0.00 C ATOM 38 OD1 ASN A 3 23.209 6.194 18.957 1.00 0.00 O ATOM 39 ND2 ASN A 3 24.797 7.724 18.535 1.00 0.00 N ATOM 0 H ASN A 3 23.832 8.237 16.507 1.00 0.00 H new ATOM 0 HA ASN A 3 23.998 5.982 14.844 1.00 0.00 H new ATOM 0 HB2 ASN A 3 24.448 4.850 17.098 1.00 0.00 H new ATOM 0 HB3 ASN A 3 25.503 6.185 16.677 1.00 0.00 H new ATOM 0 HD21 ASN A 3 24.592 8.237 19.392 1.00 0.00 H new ATOM 0 HD22 ASN A 3 25.532 8.051 17.908 1.00 0.00 H new ATOM 46 N ASP A 4 21.209 6.289 16.424 1.00 0.00 N ATOM 47 CA ASP A 4 19.882 5.714 16.613 1.00 0.00 C ATOM 48 C ASP A 4 19.275 5.275 15.282 1.00 0.00 C ATOM 49 O ASP A 4 18.364 4.448 15.248 1.00 0.00 O ATOM 50 CB ASP A 4 18.963 6.719 17.303 1.00 0.00 C ATOM 51 CG ASP A 4 18.477 6.228 18.653 1.00 0.00 C ATOM 52 OD1 ASP A 4 19.240 6.341 19.636 1.00 0.00 O ATOM 53 OD2 ASP A 4 17.334 5.730 18.728 1.00 0.00 O ATOM 0 H ASP A 4 21.287 7.268 16.698 1.00 0.00 H new ATOM 0 HA ASP A 4 19.985 4.832 17.246 1.00 0.00 H new ATOM 0 HB2 ASP A 4 19.493 7.663 17.432 1.00 0.00 H new ATOM 0 HB3 ASP A 4 18.104 6.921 16.663 1.00 0.00 H new ATOM 58 N ALA A 5 19.784 5.835 14.190 1.00 0.00 N ATOM 59 CA ALA A 5 19.293 5.506 12.862 1.00 0.00 C ATOM 60 C ALA A 5 20.116 4.391 12.221 1.00 0.00 C ATOM 61 O ALA A 5 20.170 4.275 10.997 1.00 0.00 O ATOM 62 CB ALA A 5 19.300 6.744 11.977 1.00 0.00 C ATOM 0 H ALA A 5 20.539 6.521 14.202 1.00 0.00 H new ATOM 0 HA ALA A 5 18.269 5.146 12.964 1.00 0.00 H new ATOM 0 HB1 ALA A 5 18.930 6.484 10.985 1.00 0.00 H new ATOM 0 HB2 ALA A 5 18.658 7.508 12.415 1.00 0.00 H new ATOM 0 HB3 ALA A 5 20.317 7.128 11.896 1.00 0.00 H new ATOM 68 N GLU A 6 20.760 3.576 13.052 1.00 0.00 N ATOM 69 CA GLU A 6 21.581 2.479 12.562 1.00 0.00 C ATOM 70 C GLU A 6 20.826 1.162 12.581 1.00 0.00 C ATOM 71 O GLU A 6 21.419 0.083 12.565 1.00 0.00 O ATOM 72 CB GLU A 6 22.836 2.353 13.404 1.00 0.00 C ATOM 73 CG GLU A 6 23.945 3.312 13.005 1.00 0.00 C ATOM 74 CD GLU A 6 25.060 2.627 12.239 1.00 0.00 C ATOM 75 OE1 GLU A 6 26.006 2.129 12.886 1.00 0.00 O ATOM 76 OE2 GLU A 6 24.988 2.589 10.993 1.00 0.00 O ATOM 0 H GLU A 6 20.727 3.657 14.068 1.00 0.00 H new ATOM 0 HA GLU A 6 21.848 2.704 11.529 1.00 0.00 H new ATOM 0 HB2 GLU A 6 22.579 2.525 14.449 1.00 0.00 H new ATOM 0 HB3 GLU A 6 23.209 1.331 13.332 1.00 0.00 H new ATOM 0 HG2 GLU A 6 23.527 4.111 12.393 1.00 0.00 H new ATOM 0 HG3 GLU A 6 24.357 3.778 13.900 1.00 0.00 H new ATOM 83 N GLY A 7 19.521 1.269 12.612 1.00 0.00 N ATOM 84 CA GLY A 7 18.669 0.094 12.632 1.00 0.00 C ATOM 85 C GLY A 7 17.520 0.221 13.614 1.00 0.00 C ATOM 86 O GLY A 7 17.348 -0.627 14.490 1.00 0.00 O ATOM 0 H GLY A 7 19.020 2.157 12.624 1.00 0.00 H new ATOM 0 HA2 GLY A 7 18.270 -0.077 11.632 1.00 0.00 H new ATOM 0 HA3 GLY A 7 19.268 -0.780 12.890 1.00 0.00 H new ATOM 90 N VAL A 8 16.731 1.280 13.468 1.00 0.00 N ATOM 91 CA VAL A 8 15.597 1.514 14.343 1.00 0.00 C ATOM 92 C VAL A 8 14.307 0.974 13.733 1.00 0.00 C ATOM 93 O VAL A 8 13.343 0.693 14.445 1.00 0.00 O ATOM 94 CB VAL A 8 15.411 3.014 14.671 1.00 0.00 C ATOM 95 CG1 VAL A 8 15.984 3.336 16.043 1.00 0.00 C ATOM 96 CG2 VAL A 8 16.041 3.901 13.605 1.00 0.00 C ATOM 0 H VAL A 8 16.860 1.990 12.748 1.00 0.00 H new ATOM 0 HA VAL A 8 15.813 0.981 15.269 1.00 0.00 H new ATOM 0 HB VAL A 8 14.341 3.221 14.683 1.00 0.00 H new ATOM 0 HG11 VAL A 8 15.844 4.396 16.256 1.00 0.00 H new ATOM 0 HG12 VAL A 8 15.471 2.743 16.800 1.00 0.00 H new ATOM 0 HG13 VAL A 8 17.048 3.101 16.057 1.00 0.00 H new ATOM 0 HG21 VAL A 8 15.891 4.948 13.868 1.00 0.00 H new ATOM 0 HG22 VAL A 8 17.109 3.692 13.542 1.00 0.00 H new ATOM 0 HG23 VAL A 8 15.574 3.699 12.641 1.00 0.00 H new ATOM 106 N TRP A 9 14.297 0.831 12.413 1.00 0.00 N ATOM 107 CA TRP A 9 13.132 0.328 11.706 1.00 0.00 C ATOM 108 C TRP A 9 13.341 -1.122 11.278 1.00 0.00 C ATOM 109 O TRP A 9 14.002 -1.395 10.276 1.00 0.00 O ATOM 110 CB TRP A 9 12.816 1.196 10.481 1.00 0.00 C ATOM 111 CG TRP A 9 13.963 2.046 10.017 1.00 0.00 C ATOM 112 CD1 TRP A 9 14.255 3.318 10.418 1.00 0.00 C ATOM 113 CD2 TRP A 9 14.968 1.684 9.064 1.00 0.00 C ATOM 114 NE1 TRP A 9 15.381 3.768 9.773 1.00 0.00 N ATOM 115 CE2 TRP A 9 15.838 2.784 8.937 1.00 0.00 C ATOM 116 CE3 TRP A 9 15.219 0.536 8.307 1.00 0.00 C ATOM 117 CZ2 TRP A 9 16.938 2.768 8.083 1.00 0.00 C ATOM 118 CZ3 TRP A 9 16.311 0.522 7.460 1.00 0.00 C ATOM 119 CH2 TRP A 9 17.159 1.632 7.354 1.00 0.00 C ATOM 0 H TRP A 9 15.088 1.058 11.811 1.00 0.00 H new ATOM 0 HA TRP A 9 12.285 0.372 12.390 1.00 0.00 H new ATOM 0 HB2 TRP A 9 12.503 0.549 9.662 1.00 0.00 H new ATOM 0 HB3 TRP A 9 11.971 1.843 10.716 1.00 0.00 H new ATOM 0 HD1 TRP A 9 13.684 3.887 11.137 1.00 0.00 H new ATOM 0 HE1 TRP A 9 15.808 4.686 9.897 1.00 0.00 H new ATOM 0 HE3 TRP A 9 14.571 -0.325 8.383 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 17.593 3.622 7.999 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 16.514 -0.359 6.870 1.00 0.00 H new ATOM 0 HH2 TRP A 9 18.004 1.590 6.683 1.00 0.00 H new ATOM 130 N SER A 10 12.772 -2.047 12.044 1.00 0.00 N ATOM 131 CA SER A 10 12.895 -3.469 11.744 1.00 0.00 C ATOM 132 C SER A 10 12.321 -3.786 10.365 1.00 0.00 C ATOM 133 O SER A 10 11.358 -3.157 9.926 1.00 0.00 O ATOM 134 CB SER A 10 12.181 -4.300 12.811 1.00 0.00 C ATOM 135 OG SER A 10 12.853 -5.527 13.037 1.00 0.00 O ATOM 0 H SER A 10 12.221 -1.838 12.877 1.00 0.00 H new ATOM 0 HA SER A 10 13.955 -3.725 11.744 1.00 0.00 H new ATOM 0 HB2 SER A 10 12.128 -3.734 13.741 1.00 0.00 H new ATOM 0 HB3 SER A 10 11.156 -4.496 12.498 1.00 0.00 H new ATOM 0 HG SER A 10 12.378 -6.039 13.724 1.00 0.00 H new ATOM 141 N PRO A 11 12.907 -4.769 9.661 1.00 0.00 N ATOM 142 CA PRO A 11 12.450 -5.167 8.326 1.00 0.00 C ATOM 143 C PRO A 11 11.107 -5.889 8.356 1.00 0.00 C ATOM 144 O PRO A 11 10.455 -6.050 7.324 1.00 0.00 O ATOM 145 CB PRO A 11 13.552 -6.104 7.837 1.00 0.00 C ATOM 146 CG PRO A 11 14.142 -6.664 9.080 1.00 0.00 C ATOM 147 CD PRO A 11 14.061 -5.569 10.108 1.00 0.00 C ATOM 0 HA PRO A 11 12.288 -4.304 7.680 1.00 0.00 H new ATOM 0 HB2 PRO A 11 13.150 -6.891 7.199 1.00 0.00 H new ATOM 0 HB3 PRO A 11 14.298 -5.568 7.250 1.00 0.00 H new ATOM 0 HG2 PRO A 11 13.595 -7.548 9.408 1.00 0.00 H new ATOM 0 HG3 PRO A 11 15.175 -6.971 8.918 1.00 0.00 H new ATOM 0 HD2 PRO A 11 13.909 -5.969 11.111 1.00 0.00 H new ATOM 0 HD3 PRO A 11 14.975 -4.976 10.137 1.00 0.00 H new ATOM 155 N ASP A 12 10.697 -6.322 9.543 1.00 0.00 N ATOM 156 CA ASP A 12 9.430 -7.026 9.703 1.00 0.00 C ATOM 157 C ASP A 12 8.259 -6.142 9.291 1.00 0.00 C ATOM 158 O ASP A 12 7.191 -6.636 8.931 1.00 0.00 O ATOM 159 CB ASP A 12 9.257 -7.487 11.147 1.00 0.00 C ATOM 160 CG ASP A 12 9.291 -8.997 11.282 1.00 0.00 C ATOM 161 OD1 ASP A 12 10.396 -9.552 11.460 1.00 0.00 O ATOM 162 OD2 ASP A 12 8.213 -9.624 11.210 1.00 0.00 O ATOM 0 H ASP A 12 11.223 -6.198 10.408 1.00 0.00 H new ATOM 0 HA ASP A 12 9.445 -7.900 9.052 1.00 0.00 H new ATOM 0 HB2 ASP A 12 10.046 -7.053 11.761 1.00 0.00 H new ATOM 0 HB3 ASP A 12 8.309 -7.112 11.534 1.00 0.00 H new ATOM 167 N ILE A 13 8.470 -4.833 9.341 1.00 0.00 N ATOM 168 CA ILE A 13 7.437 -3.882 8.968 1.00 0.00 C ATOM 169 C ILE A 13 7.203 -3.906 7.472 1.00 0.00 C ATOM 170 O ILE A 13 6.092 -4.156 7.004 1.00 0.00 O ATOM 171 CB ILE A 13 7.794 -2.456 9.402 1.00 0.00 C ATOM 172 CG1 ILE A 13 8.258 -2.438 10.859 1.00 0.00 C ATOM 173 CG2 ILE A 13 6.606 -1.527 9.203 1.00 0.00 C ATOM 174 CD1 ILE A 13 7.238 -2.999 11.826 1.00 0.00 C ATOM 0 H ILE A 13 9.349 -4.408 9.637 1.00 0.00 H new ATOM 0 HA ILE A 13 6.526 -4.182 9.485 1.00 0.00 H new ATOM 0 HB ILE A 13 8.615 -2.100 8.779 1.00 0.00 H new ATOM 0 HG12 ILE A 13 9.181 -3.011 10.945 1.00 0.00 H new ATOM 0 HG13 ILE A 13 8.492 -1.412 11.145 1.00 0.00 H new ATOM 0 HG21 ILE A 13 6.876 -0.519 9.516 1.00 0.00 H new ATOM 0 HG22 ILE A 13 6.324 -1.517 8.150 1.00 0.00 H new ATOM 0 HG23 ILE A 13 5.765 -1.879 9.800 1.00 0.00 H new ATOM 0 HD11 ILE A 13 7.635 -2.955 12.840 1.00 0.00 H new ATOM 0 HD12 ILE A 13 6.321 -2.412 11.769 1.00 0.00 H new ATOM 0 HD13 ILE A 13 7.022 -4.035 11.566 1.00 0.00 H new ATOM 186 N GLU A 14 8.266 -3.662 6.729 1.00 0.00 N ATOM 187 CA GLU A 14 8.196 -3.673 5.277 1.00 0.00 C ATOM 188 C GLU A 14 7.790 -5.057 4.782 1.00 0.00 C ATOM 189 O GLU A 14 7.296 -5.210 3.665 1.00 0.00 O ATOM 190 CB GLU A 14 9.543 -3.271 4.672 1.00 0.00 C ATOM 191 CG GLU A 14 9.418 -2.513 3.360 1.00 0.00 C ATOM 192 CD GLU A 14 10.748 -1.977 2.869 1.00 0.00 C ATOM 193 OE1 GLU A 14 11.374 -1.181 3.600 1.00 0.00 O ATOM 194 OE2 GLU A 14 11.164 -2.353 1.753 1.00 0.00 O ATOM 0 H GLU A 14 9.190 -3.453 7.106 1.00 0.00 H new ATOM 0 HA GLU A 14 7.445 -2.950 4.960 1.00 0.00 H new ATOM 0 HB2 GLU A 14 10.084 -2.653 5.389 1.00 0.00 H new ATOM 0 HB3 GLU A 14 10.141 -4.168 4.509 1.00 0.00 H new ATOM 0 HG2 GLU A 14 8.994 -3.172 2.603 1.00 0.00 H new ATOM 0 HG3 GLU A 14 8.721 -1.685 3.488 1.00 0.00 H new ATOM 201 N GLN A 15 7.999 -6.062 5.629 1.00 0.00 N ATOM 202 CA GLN A 15 7.653 -7.429 5.289 1.00 0.00 C ATOM 203 C GLN A 15 6.162 -7.661 5.438 1.00 0.00 C ATOM 204 O GLN A 15 5.519 -8.249 4.568 1.00 0.00 O ATOM 205 CB GLN A 15 8.431 -8.400 6.156 1.00 0.00 C ATOM 206 CG GLN A 15 9.652 -8.957 5.456 1.00 0.00 C ATOM 207 CD GLN A 15 9.315 -10.079 4.494 1.00 0.00 C ATOM 208 OE1 GLN A 15 8.544 -9.894 3.552 1.00 0.00 O ATOM 209 NE2 GLN A 15 9.892 -11.251 4.727 1.00 0.00 N ATOM 0 H GLN A 15 8.408 -5.949 6.557 1.00 0.00 H new ATOM 0 HA GLN A 15 7.920 -7.601 4.246 1.00 0.00 H new ATOM 0 HB2 GLN A 15 8.740 -7.896 7.072 1.00 0.00 H new ATOM 0 HB3 GLN A 15 7.778 -9.222 6.449 1.00 0.00 H new ATOM 0 HG2 GLN A 15 10.151 -8.155 4.912 1.00 0.00 H new ATOM 0 HG3 GLN A 15 10.358 -9.323 6.202 1.00 0.00 H new ATOM 0 HE21 GLN A 15 10.525 -11.359 5.520 1.00 0.00 H new ATOM 0 HE22 GLN A 15 9.703 -12.044 4.113 1.00 0.00 H new ATOM 218 N SER A 16 5.617 -7.180 6.542 1.00 0.00 N ATOM 219 CA SER A 16 4.196 -7.314 6.810 1.00 0.00 C ATOM 220 C SER A 16 3.406 -6.376 5.915 1.00 0.00 C ATOM 221 O SER A 16 2.262 -6.655 5.555 1.00 0.00 O ATOM 222 CB SER A 16 3.893 -7.026 8.281 1.00 0.00 C ATOM 223 OG SER A 16 2.754 -7.748 8.719 1.00 0.00 O ATOM 0 H SER A 16 6.139 -6.692 7.269 1.00 0.00 H new ATOM 0 HA SER A 16 3.899 -8.341 6.595 1.00 0.00 H new ATOM 0 HB2 SER A 16 4.755 -7.295 8.892 1.00 0.00 H new ATOM 0 HB3 SER A 16 3.725 -5.958 8.418 1.00 0.00 H new ATOM 0 HG SER A 16 2.583 -7.548 9.663 1.00 0.00 H new ATOM 229 N PHE A 17 4.033 -5.268 5.545 1.00 0.00 N ATOM 230 CA PHE A 17 3.402 -4.295 4.676 1.00 0.00 C ATOM 231 C PHE A 17 3.361 -4.814 3.248 1.00 0.00 C ATOM 232 O PHE A 17 2.470 -4.465 2.474 1.00 0.00 O ATOM 233 CB PHE A 17 4.135 -2.958 4.741 1.00 0.00 C ATOM 234 CG PHE A 17 3.293 -1.843 5.293 1.00 0.00 C ATOM 235 CD1 PHE A 17 1.991 -1.660 4.855 1.00 0.00 C ATOM 236 CD2 PHE A 17 3.802 -0.981 6.249 1.00 0.00 C ATOM 237 CE1 PHE A 17 1.212 -0.637 5.362 1.00 0.00 C ATOM 238 CE2 PHE A 17 3.029 0.044 6.760 1.00 0.00 C ATOM 239 CZ PHE A 17 1.732 0.216 6.315 1.00 0.00 C ATOM 0 H PHE A 17 4.980 -5.024 5.836 1.00 0.00 H new ATOM 0 HA PHE A 17 2.379 -4.138 5.018 1.00 0.00 H new ATOM 0 HB2 PHE A 17 5.026 -3.070 5.358 1.00 0.00 H new ATOM 0 HB3 PHE A 17 4.472 -2.688 3.740 1.00 0.00 H new ATOM 0 HD1 PHE A 17 1.580 -2.324 4.109 1.00 0.00 H new ATOM 0 HD2 PHE A 17 4.815 -1.111 6.600 1.00 0.00 H new ATOM 0 HE1 PHE A 17 0.198 -0.505 5.013 1.00 0.00 H new ATOM 0 HE2 PHE A 17 3.438 0.710 7.506 1.00 0.00 H new ATOM 0 HZ PHE A 17 1.126 1.017 6.712 1.00 0.00 H new ATOM 249 N GLN A 18 4.322 -5.667 2.909 1.00 0.00 N ATOM 250 CA GLN A 18 4.375 -6.246 1.578 1.00 0.00 C ATOM 251 C GLN A 18 3.168 -7.140 1.356 1.00 0.00 C ATOM 252 O GLN A 18 2.644 -7.236 0.248 1.00 0.00 O ATOM 253 CB GLN A 18 5.662 -7.049 1.374 1.00 0.00 C ATOM 254 CG GLN A 18 5.622 -7.951 0.147 1.00 0.00 C ATOM 255 CD GLN A 18 6.999 -8.421 -0.278 1.00 0.00 C ATOM 256 OE1 GLN A 18 7.523 -9.403 0.248 1.00 0.00 O ATOM 257 NE2 GLN A 18 7.593 -7.720 -1.237 1.00 0.00 N ATOM 0 H GLN A 18 5.068 -5.969 3.535 1.00 0.00 H new ATOM 0 HA GLN A 18 4.364 -5.432 0.853 1.00 0.00 H new ATOM 0 HB2 GLN A 18 6.501 -6.360 1.282 1.00 0.00 H new ATOM 0 HB3 GLN A 18 5.846 -7.659 2.259 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.996 -8.818 0.358 1.00 0.00 H new ATOM 0 HG3 GLN A 18 5.155 -7.414 -0.679 1.00 0.00 H new ATOM 0 HE21 GLN A 18 7.122 -6.913 -1.645 1.00 0.00 H new ATOM 0 HE22 GLN A 18 8.520 -7.989 -1.565 1.00 0.00 H new ATOM 266 N GLU A 19 2.728 -7.789 2.425 1.00 0.00 N ATOM 267 CA GLU A 19 1.576 -8.672 2.353 1.00 0.00 C ATOM 268 C GLU A 19 0.365 -7.911 1.848 1.00 0.00 C ATOM 269 O GLU A 19 -0.295 -8.327 0.899 1.00 0.00 O ATOM 270 CB GLU A 19 1.287 -9.294 3.717 1.00 0.00 C ATOM 271 CG GLU A 19 1.406 -10.809 3.731 1.00 0.00 C ATOM 272 CD GLU A 19 0.281 -11.490 2.976 1.00 0.00 C ATOM 273 OE1 GLU A 19 0.387 -11.613 1.738 1.00 0.00 O ATOM 274 OE2 GLU A 19 -0.706 -11.899 3.623 1.00 0.00 O ATOM 0 H GLU A 19 3.152 -7.720 3.350 1.00 0.00 H new ATOM 0 HA GLU A 19 1.800 -9.477 1.653 1.00 0.00 H new ATOM 0 HB2 GLU A 19 1.976 -8.877 4.451 1.00 0.00 H new ATOM 0 HB3 GLU A 19 0.281 -9.014 4.029 1.00 0.00 H new ATOM 0 HG2 GLU A 19 2.361 -11.099 3.292 1.00 0.00 H new ATOM 0 HG3 GLU A 19 1.410 -11.160 4.763 1.00 0.00 H new ATOM 281 N ALA A 20 0.100 -6.782 2.480 1.00 0.00 N ATOM 282 CA ALA A 20 -1.017 -5.937 2.090 1.00 0.00 C ATOM 283 C ALA A 20 -0.788 -5.369 0.698 1.00 0.00 C ATOM 284 O ALA A 20 -1.731 -5.124 -0.053 1.00 0.00 O ATOM 285 CB ALA A 20 -1.216 -4.814 3.097 1.00 0.00 C ATOM 0 H ALA A 20 0.643 -6.428 3.267 1.00 0.00 H new ATOM 0 HA ALA A 20 -1.921 -6.546 2.073 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -2.056 -4.193 2.788 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -1.421 -5.239 4.080 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -0.313 -4.205 3.146 1.00 0.00 H new ATOM 291 N LEU A 21 0.480 -5.174 0.360 1.00 0.00 N ATOM 292 CA LEU A 21 0.854 -4.647 -0.937 1.00 0.00 C ATOM 293 C LEU A 21 0.641 -5.692 -2.018 1.00 0.00 C ATOM 294 O LEU A 21 0.140 -5.394 -3.102 1.00 0.00 O ATOM 295 CB LEU A 21 2.306 -4.195 -0.914 1.00 0.00 C ATOM 296 CG LEU A 21 2.536 -2.753 -0.458 1.00 0.00 C ATOM 297 CD1 LEU A 21 4.005 -2.383 -0.586 1.00 0.00 C ATOM 298 CD2 LEU A 21 1.668 -1.790 -1.256 1.00 0.00 C ATOM 0 H LEU A 21 1.269 -5.376 0.974 1.00 0.00 H new ATOM 0 HA LEU A 21 0.221 -3.789 -1.163 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.866 -4.860 -0.256 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.722 -4.313 -1.915 1.00 0.00 H new ATOM 0 HG LEU A 21 2.251 -2.676 0.591 1.00 0.00 H new ATOM 0 HD11 LEU A 21 4.151 -1.354 -0.257 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.604 -3.050 0.034 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.315 -2.479 -1.627 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.848 -0.770 -0.915 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.917 -1.868 -2.314 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.617 -2.041 -1.111 1.00 0.00 H new ATOM 310 N SER A 22 1.008 -6.924 -1.701 1.00 0.00 N ATOM 311 CA SER A 22 0.843 -8.030 -2.627 1.00 0.00 C ATOM 312 C SER A 22 -0.622 -8.433 -2.691 1.00 0.00 C ATOM 313 O SER A 22 -1.121 -8.869 -3.728 1.00 0.00 O ATOM 314 CB SER A 22 1.702 -9.222 -2.199 1.00 0.00 C ATOM 315 OG SER A 22 1.678 -9.390 -0.792 1.00 0.00 O ATOM 0 H SER A 22 1.423 -7.182 -0.806 1.00 0.00 H new ATOM 0 HA SER A 22 1.169 -7.711 -3.617 1.00 0.00 H new ATOM 0 HB2 SER A 22 1.338 -10.129 -2.683 1.00 0.00 H new ATOM 0 HB3 SER A 22 2.729 -9.073 -2.533 1.00 0.00 H new ATOM 0 HG SER A 22 2.320 -8.776 -0.378 1.00 0.00 H new ATOM 321 N ILE A 23 -1.302 -8.269 -1.565 1.00 0.00 N ATOM 322 CA ILE A 23 -2.714 -8.595 -1.461 1.00 0.00 C ATOM 323 C ILE A 23 -3.578 -7.496 -2.082 1.00 0.00 C ATOM 324 O ILE A 23 -4.750 -7.716 -2.387 1.00 0.00 O ATOM 325 CB ILE A 23 -3.122 -8.824 0.011 1.00 0.00 C ATOM 326 CG1 ILE A 23 -3.166 -10.322 0.322 1.00 0.00 C ATOM 327 CG2 ILE A 23 -4.460 -8.172 0.335 1.00 0.00 C ATOM 328 CD1 ILE A 23 -4.272 -11.057 -0.402 1.00 0.00 C ATOM 0 H ILE A 23 -0.892 -7.908 -0.704 1.00 0.00 H new ATOM 0 HA ILE A 23 -2.880 -9.519 -2.014 1.00 0.00 H new ATOM 0 HB ILE A 23 -2.368 -8.352 0.641 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -2.208 -10.769 0.055 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -3.293 -10.458 1.396 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -4.711 -8.356 1.380 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -4.393 -7.098 0.162 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -5.235 -8.595 -0.304 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -4.243 -12.113 -0.134 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -5.236 -10.637 -0.116 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -4.135 -10.952 -1.478 1.00 0.00 H new ATOM 340 N TYR A 24 -2.994 -6.312 -2.258 1.00 0.00 N ATOM 341 CA TYR A 24 -3.706 -5.183 -2.832 1.00 0.00 C ATOM 342 C TYR A 24 -3.091 -4.755 -4.164 1.00 0.00 C ATOM 343 O TYR A 24 -2.287 -3.825 -4.213 1.00 0.00 O ATOM 344 CB TYR A 24 -3.708 -4.010 -1.862 1.00 0.00 C ATOM 345 CG TYR A 24 -4.437 -4.283 -0.564 1.00 0.00 C ATOM 346 CD1 TYR A 24 -5.587 -5.064 -0.536 1.00 0.00 C ATOM 347 CD2 TYR A 24 -3.974 -3.756 0.635 1.00 0.00 C ATOM 348 CE1 TYR A 24 -6.252 -5.311 0.650 1.00 0.00 C ATOM 349 CE2 TYR A 24 -4.632 -4.000 1.825 1.00 0.00 C ATOM 350 CZ TYR A 24 -5.771 -4.778 1.827 1.00 0.00 C ATOM 351 OH TYR A 24 -6.430 -5.023 3.010 1.00 0.00 O ATOM 0 H TYR A 24 -2.025 -6.114 -2.008 1.00 0.00 H new ATOM 0 HA TYR A 24 -4.733 -5.498 -3.017 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -2.677 -3.737 -1.637 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -4.166 -3.150 -2.350 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -5.967 -5.484 -1.456 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -3.084 -3.145 0.637 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -7.145 -5.919 0.655 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -4.257 -3.584 2.748 1.00 0.00 H new ATOM 0 HH TYR A 24 -5.960 -4.576 3.745 1.00 0.00 H new ATOM 361 N PRO A 25 -3.463 -5.429 -5.268 1.00 0.00 N ATOM 362 CA PRO A 25 -2.954 -5.122 -6.595 1.00 0.00 C ATOM 363 C PRO A 25 -3.796 -4.064 -7.307 1.00 0.00 C ATOM 364 O PRO A 25 -4.945 -4.318 -7.669 1.00 0.00 O ATOM 365 CB PRO A 25 -3.050 -6.464 -7.330 1.00 0.00 C ATOM 366 CG PRO A 25 -3.926 -7.350 -6.495 1.00 0.00 C ATOM 367 CD PRO A 25 -4.407 -6.544 -5.317 1.00 0.00 C ATOM 0 HA PRO A 25 -1.946 -4.710 -6.561 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -3.472 -6.331 -8.326 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -2.062 -6.906 -7.459 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -4.771 -7.713 -7.080 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -3.372 -8.226 -6.158 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -5.431 -6.199 -5.457 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -4.390 -7.127 -4.396 1.00 0.00 H new ATOM 375 N PRO A 26 -3.238 -2.858 -7.521 1.00 0.00 N ATOM 376 CA PRO A 26 -3.951 -1.768 -8.195 1.00 0.00 C ATOM 377 C PRO A 26 -4.184 -2.050 -9.673 1.00 0.00 C ATOM 378 O PRO A 26 -5.080 -1.478 -10.293 1.00 0.00 O ATOM 379 CB PRO A 26 -3.020 -0.569 -8.019 1.00 0.00 C ATOM 380 CG PRO A 26 -1.670 -1.169 -7.865 1.00 0.00 C ATOM 381 CD PRO A 26 -1.874 -2.461 -7.126 1.00 0.00 C ATOM 0 HA PRO A 26 -4.946 -1.616 -7.777 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -3.063 0.097 -8.881 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -3.294 0.022 -7.145 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -1.207 -1.344 -8.836 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -1.008 -0.503 -7.312 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -1.137 -3.211 -7.413 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -1.789 -2.327 -6.048 1.00 0.00 H new ATOM 389 N CYS A 27 -3.369 -2.934 -10.231 1.00 0.00 N ATOM 390 CA CYS A 27 -3.471 -3.300 -11.629 1.00 0.00 C ATOM 391 C CYS A 27 -4.744 -4.097 -11.899 1.00 0.00 C ATOM 392 O CYS A 27 -5.196 -4.869 -11.054 1.00 0.00 O ATOM 393 CB CYS A 27 -2.246 -4.117 -12.030 1.00 0.00 C ATOM 394 SG CYS A 27 -1.915 -5.535 -10.957 1.00 0.00 S ATOM 0 H CYS A 27 -2.623 -3.413 -9.727 1.00 0.00 H new ATOM 0 HA CYS A 27 -3.515 -2.388 -12.224 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -2.379 -4.472 -13.052 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -1.373 -3.465 -12.031 1.00 0.00 H new ATOM 0 HG CYS A 27 -0.859 -6.163 -11.382 1.00 0.00 H new ATOM 400 N GLY A 28 -5.314 -3.906 -13.084 1.00 0.00 N ATOM 401 CA GLY A 28 -6.527 -4.615 -13.448 1.00 0.00 C ATOM 402 C GLY A 28 -7.782 -3.825 -13.135 1.00 0.00 C ATOM 403 O GLY A 28 -8.717 -3.791 -13.936 1.00 0.00 O ATOM 0 H GLY A 28 -4.957 -3.272 -13.799 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -6.503 -4.844 -14.513 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -6.560 -5.567 -12.918 1.00 0.00 H new ATOM 407 N ARG A 29 -7.806 -3.187 -11.969 1.00 0.00 N ATOM 408 CA ARG A 29 -8.954 -2.395 -11.557 1.00 0.00 C ATOM 409 C ARG A 29 -8.567 -1.388 -10.479 1.00 0.00 C ATOM 410 O ARG A 29 -7.925 -1.739 -9.489 1.00 0.00 O ATOM 411 CB ARG A 29 -10.074 -3.305 -11.048 1.00 0.00 C ATOM 412 CG ARG A 29 -11.459 -2.884 -11.513 1.00 0.00 C ATOM 413 CD ARG A 29 -12.177 -2.063 -10.453 1.00 0.00 C ATOM 414 NE ARG A 29 -13.596 -2.402 -10.367 1.00 0.00 N ATOM 415 CZ ARG A 29 -14.471 -2.180 -11.345 1.00 0.00 C ATOM 416 NH1 ARG A 29 -14.079 -1.620 -12.483 1.00 0.00 N ATOM 417 NH2 ARG A 29 -15.743 -2.519 -11.185 1.00 0.00 N ATOM 0 H ARG A 29 -7.042 -3.205 -11.294 1.00 0.00 H new ATOM 0 HA ARG A 29 -9.312 -1.844 -12.427 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -9.882 -4.325 -11.382 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -10.054 -3.317 -9.958 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -11.375 -2.302 -12.430 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -12.049 -3.769 -11.751 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -11.705 -2.229 -9.485 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -12.071 -1.003 -10.682 1.00 0.00 H new ATOM 0 HE ARG A 29 -13.936 -2.834 -9.508 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -13.102 -1.357 -12.612 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -14.755 -1.453 -13.228 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -16.050 -2.950 -10.313 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -16.414 -2.349 -11.934 1.00 0.00 H new ATOM 431 N ARG A 30 -8.967 -0.136 -10.675 1.00 0.00 N ATOM 432 CA ARG A 30 -8.668 0.919 -9.722 1.00 0.00 C ATOM 433 C ARG A 30 -9.850 1.873 -9.579 1.00 0.00 C ATOM 434 O ARG A 30 -9.921 2.896 -10.260 1.00 0.00 O ATOM 435 CB ARG A 30 -7.420 1.691 -10.153 1.00 0.00 C ATOM 436 CG ARG A 30 -7.024 2.796 -9.187 1.00 0.00 C ATOM 437 CD ARG A 30 -6.470 4.007 -9.920 1.00 0.00 C ATOM 438 NE ARG A 30 -5.011 3.984 -9.991 1.00 0.00 N ATOM 439 CZ ARG A 30 -4.214 4.301 -8.973 1.00 0.00 C ATOM 440 NH1 ARG A 30 -4.730 4.666 -7.806 1.00 0.00 N ATOM 441 NH2 ARG A 30 -2.898 4.254 -9.123 1.00 0.00 N ATOM 0 H ARG A 30 -9.500 0.170 -11.489 1.00 0.00 H new ATOM 0 HA ARG A 30 -8.479 0.456 -8.754 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -6.589 0.993 -10.255 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -7.594 2.125 -11.137 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -7.891 3.092 -8.597 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -6.277 2.419 -8.489 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -6.882 4.040 -10.929 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -6.794 4.916 -9.414 1.00 0.00 H new ATOM 0 HE ARG A 30 -4.578 3.709 -10.872 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -5.742 4.705 -7.686 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -4.114 4.908 -7.029 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -2.496 3.975 -10.018 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -2.287 4.497 -8.343 1.00 0.00 H new ATOM 455 N LYS A 31 -10.775 1.532 -8.687 1.00 0.00 N ATOM 456 CA LYS A 31 -11.949 2.356 -8.452 1.00 0.00 C ATOM 457 C LYS A 31 -12.437 2.214 -7.014 1.00 0.00 C ATOM 458 O LYS A 31 -12.196 1.197 -6.363 1.00 0.00 O ATOM 459 CB LYS A 31 -13.068 1.980 -9.425 1.00 0.00 C ATOM 460 CG LYS A 31 -12.793 2.399 -10.860 1.00 0.00 C ATOM 461 CD LYS A 31 -14.022 2.221 -11.737 1.00 0.00 C ATOM 462 CE LYS A 31 -13.649 1.718 -13.123 1.00 0.00 C ATOM 463 NZ LYS A 31 -13.586 2.825 -14.117 1.00 0.00 N ATOM 0 H LYS A 31 -10.731 0.688 -8.115 1.00 0.00 H new ATOM 0 HA LYS A 31 -11.669 3.396 -8.619 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -13.219 0.901 -9.393 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -13.998 2.442 -9.092 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -12.477 3.442 -10.882 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -11.970 1.808 -11.261 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -14.708 1.517 -11.266 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -14.550 3.171 -11.823 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -12.683 1.214 -13.079 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -14.380 0.978 -13.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -13.329 2.441 -15.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -14.514 3.290 -14.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -12.871 3.519 -13.819 1.00 0.00 H new ATOM 477 N ILE A 32 -13.128 3.239 -6.525 1.00 0.00 N ATOM 478 CA ILE A 32 -13.653 3.232 -5.169 1.00 0.00 C ATOM 479 C ILE A 32 -14.859 4.157 -5.045 1.00 0.00 C ATOM 480 O ILE A 32 -14.716 5.378 -5.002 1.00 0.00 O ATOM 481 CB ILE A 32 -12.590 3.650 -4.130 1.00 0.00 C ATOM 482 CG1 ILE A 32 -11.199 3.738 -4.764 1.00 0.00 C ATOM 483 CG2 ILE A 32 -12.580 2.676 -2.961 1.00 0.00 C ATOM 484 CD1 ILE A 32 -10.129 4.219 -3.808 1.00 0.00 C ATOM 0 H ILE A 32 -13.337 4.087 -7.052 1.00 0.00 H new ATOM 0 HA ILE A 32 -13.954 2.205 -4.961 1.00 0.00 H new ATOM 0 HB ILE A 32 -12.853 4.641 -3.760 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -10.919 2.756 -5.145 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -11.240 4.412 -5.620 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -11.826 2.984 -2.237 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -13.560 2.670 -2.484 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -12.347 1.675 -3.324 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -9.170 4.257 -4.325 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -10.386 5.214 -3.446 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -10.060 3.532 -2.964 1.00 0.00 H new ATOM 496 N ILE A 33 -16.049 3.565 -4.990 1.00 0.00 N ATOM 497 CA ILE A 33 -17.278 4.328 -4.872 1.00 0.00 C ATOM 498 C ILE A 33 -17.899 4.155 -3.490 1.00 0.00 C ATOM 499 O ILE A 33 -18.747 3.287 -3.284 1.00 0.00 O ATOM 500 CB ILE A 33 -18.318 3.932 -5.948 1.00 0.00 C ATOM 501 CG1 ILE A 33 -17.961 2.593 -6.603 1.00 0.00 C ATOM 502 CG2 ILE A 33 -18.431 5.023 -7.003 1.00 0.00 C ATOM 503 CD1 ILE A 33 -18.168 1.401 -5.694 1.00 0.00 C ATOM 0 H ILE A 33 -16.183 2.555 -5.026 1.00 0.00 H new ATOM 0 HA ILE A 33 -17.007 5.373 -5.024 1.00 0.00 H new ATOM 0 HB ILE A 33 -19.283 3.817 -5.454 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -18.566 2.464 -7.501 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -16.919 2.620 -6.922 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -19.166 4.730 -7.752 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -18.745 5.954 -6.531 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -17.463 5.168 -7.482 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -17.895 0.488 -6.223 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -17.543 1.507 -4.807 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -19.215 1.349 -5.396 1.00 0.00 H new ATOM 515 N LEU A 34 -17.471 4.987 -2.546 1.00 0.00 N ATOM 516 CA LEU A 34 -17.981 4.930 -1.186 1.00 0.00 C ATOM 517 C LEU A 34 -19.471 5.260 -1.139 1.00 0.00 C ATOM 518 O LEU A 34 -20.154 4.942 -0.166 1.00 0.00 O ATOM 519 CB LEU A 34 -17.203 5.895 -0.289 1.00 0.00 C ATOM 520 CG LEU A 34 -16.743 7.193 -0.959 1.00 0.00 C ATOM 521 CD1 LEU A 34 -16.933 8.376 -0.022 1.00 0.00 C ATOM 522 CD2 LEU A 34 -15.288 7.083 -1.391 1.00 0.00 C ATOM 0 H LEU A 34 -16.769 5.711 -2.702 1.00 0.00 H new ATOM 0 HA LEU A 34 -17.847 3.912 -0.820 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -17.827 6.150 0.568 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -16.326 5.376 0.099 1.00 0.00 H new ATOM 0 HG LEU A 34 -17.355 7.357 -1.846 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -16.600 9.289 -0.516 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -17.987 8.468 0.239 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -16.348 8.220 0.884 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -14.978 8.014 -1.865 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -14.663 6.894 -0.518 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -15.180 6.262 -2.099 1.00 0.00 H new ATOM 534 N SER A 35 -19.968 5.901 -2.191 1.00 0.00 N ATOM 535 CA SER A 35 -21.375 6.273 -2.262 1.00 0.00 C ATOM 536 C SER A 35 -22.269 5.038 -2.325 1.00 0.00 C ATOM 537 O SER A 35 -23.442 5.089 -1.955 1.00 0.00 O ATOM 538 CB SER A 35 -21.627 7.166 -3.474 1.00 0.00 C ATOM 539 OG SER A 35 -22.089 8.446 -3.078 1.00 0.00 O ATOM 0 H SER A 35 -19.418 6.173 -3.005 1.00 0.00 H new ATOM 0 HA SER A 35 -21.622 6.826 -1.356 1.00 0.00 H new ATOM 0 HB2 SER A 35 -20.708 7.270 -4.050 1.00 0.00 H new ATOM 0 HB3 SER A 35 -22.362 6.697 -4.128 1.00 0.00 H new ATOM 0 HG SER A 35 -22.241 8.999 -3.873 1.00 0.00 H new ATOM 545 N ASP A 36 -21.707 3.932 -2.798 1.00 0.00 N ATOM 546 CA ASP A 36 -22.449 2.687 -2.913 1.00 0.00 C ATOM 547 C ASP A 36 -22.519 1.966 -1.570 1.00 0.00 C ATOM 548 O ASP A 36 -23.581 1.883 -0.953 1.00 0.00 O ATOM 549 CB ASP A 36 -21.804 1.779 -3.962 1.00 0.00 C ATOM 550 CG ASP A 36 -22.830 1.098 -4.846 1.00 0.00 C ATOM 551 OD1 ASP A 36 -23.199 1.683 -5.886 1.00 0.00 O ATOM 552 OD2 ASP A 36 -23.264 -0.020 -4.499 1.00 0.00 O ATOM 0 H ASP A 36 -20.737 3.874 -3.108 1.00 0.00 H new ATOM 0 HA ASP A 36 -23.465 2.927 -3.227 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -21.128 2.368 -4.582 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -21.200 1.022 -3.462 1.00 0.00 H new ATOM 557 N GLU A 37 -21.381 1.444 -1.125 1.00 0.00 N ATOM 558 CA GLU A 37 -21.312 0.728 0.142 1.00 0.00 C ATOM 559 C GLU A 37 -21.493 1.676 1.322 1.00 0.00 C ATOM 560 O GLU A 37 -21.920 1.267 2.402 1.00 0.00 O ATOM 561 CB GLU A 37 -19.982 -0.014 0.261 1.00 0.00 C ATOM 562 CG GLU A 37 -20.133 -1.521 0.350 1.00 0.00 C ATOM 563 CD GLU A 37 -19.458 -2.246 -0.798 1.00 0.00 C ATOM 564 OE1 GLU A 37 -20.096 -2.398 -1.861 1.00 0.00 O ATOM 565 OE2 GLU A 37 -18.292 -2.663 -0.633 1.00 0.00 O ATOM 0 H GLU A 37 -20.493 1.504 -1.624 1.00 0.00 H new ATOM 0 HA GLU A 37 -22.126 0.003 0.162 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -19.361 0.230 -0.601 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -19.454 0.343 1.146 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -19.711 -1.869 1.293 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -21.193 -1.776 0.362 1.00 0.00 H new ATOM 572 N GLY A 38 -21.167 2.944 1.107 1.00 0.00 N ATOM 573 CA GLY A 38 -21.299 3.934 2.154 1.00 0.00 C ATOM 574 C GLY A 38 -20.108 3.965 3.097 1.00 0.00 C ATOM 575 O GLY A 38 -20.002 4.859 3.937 1.00 0.00 O ATOM 0 H GLY A 38 -20.812 3.304 0.221 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -21.423 4.918 1.702 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -22.204 3.730 2.727 1.00 0.00 H new ATOM 579 N LYS A 39 -19.203 3.001 2.952 1.00 0.00 N ATOM 580 CA LYS A 39 -18.019 2.936 3.780 1.00 0.00 C ATOM 581 C LYS A 39 -16.849 2.385 2.980 1.00 0.00 C ATOM 582 O LYS A 39 -16.621 1.176 2.935 1.00 0.00 O ATOM 583 CB LYS A 39 -18.273 2.066 5.013 1.00 0.00 C ATOM 584 CG LYS A 39 -17.085 1.989 5.958 1.00 0.00 C ATOM 585 CD LYS A 39 -17.227 0.837 6.940 1.00 0.00 C ATOM 586 CE LYS A 39 -15.872 0.322 7.395 1.00 0.00 C ATOM 587 NZ LYS A 39 -15.474 0.893 8.712 1.00 0.00 N ATOM 0 H LYS A 39 -19.275 2.253 2.262 1.00 0.00 H new ATOM 0 HA LYS A 39 -17.774 3.944 4.113 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -19.133 2.460 5.555 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -18.535 1.059 4.689 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -16.168 1.866 5.382 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -16.994 2.927 6.506 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -17.802 1.165 7.806 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -17.787 0.027 6.473 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -15.902 -0.765 7.465 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -15.119 0.573 6.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -14.544 0.517 8.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -15.421 1.929 8.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -16.179 0.632 9.431 1.00 0.00 H new ATOM 601 N MET A 40 -16.108 3.286 2.359 1.00 0.00 N ATOM 602 CA MET A 40 -14.953 2.916 1.564 1.00 0.00 C ATOM 603 C MET A 40 -13.900 4.017 1.604 1.00 0.00 C ATOM 604 O MET A 40 -13.864 4.890 0.737 1.00 0.00 O ATOM 605 CB MET A 40 -15.365 2.634 0.118 1.00 0.00 C ATOM 606 CG MET A 40 -16.122 1.327 -0.055 1.00 0.00 C ATOM 607 SD MET A 40 -15.737 0.502 -1.611 1.00 0.00 S ATOM 608 CE MET A 40 -17.381 0.255 -2.279 1.00 0.00 C ATOM 0 H MET A 40 -16.290 4.289 2.392 1.00 0.00 H new ATOM 0 HA MET A 40 -14.524 2.008 1.988 1.00 0.00 H new ATOM 0 HB2 MET A 40 -15.987 3.454 -0.241 1.00 0.00 H new ATOM 0 HB3 MET A 40 -14.473 2.613 -0.508 1.00 0.00 H new ATOM 0 HG2 MET A 40 -15.883 0.661 0.774 1.00 0.00 H new ATOM 0 HG3 MET A 40 -17.193 1.523 -0.008 1.00 0.00 H new ATOM 0 HE1 MET A 40 -17.312 0.040 -3.345 1.00 0.00 H new ATOM 0 HE2 MET A 40 -17.859 -0.582 -1.770 1.00 0.00 H new ATOM 0 HE3 MET A 40 -17.974 1.157 -2.129 1.00 0.00 H new ATOM 618 N TYR A 41 -13.048 3.967 2.618 1.00 0.00 N ATOM 619 CA TYR A 41 -11.991 4.956 2.780 1.00 0.00 C ATOM 620 C TYR A 41 -10.922 4.795 1.703 1.00 0.00 C ATOM 621 O TYR A 41 -11.010 3.908 0.855 1.00 0.00 O ATOM 622 CB TYR A 41 -11.364 4.837 4.167 1.00 0.00 C ATOM 623 CG TYR A 41 -11.551 6.069 5.024 1.00 0.00 C ATOM 624 CD1 TYR A 41 -10.643 7.118 4.974 1.00 0.00 C ATOM 625 CD2 TYR A 41 -12.636 6.181 5.884 1.00 0.00 C ATOM 626 CE1 TYR A 41 -10.810 8.245 5.757 1.00 0.00 C ATOM 627 CE2 TYR A 41 -12.811 7.304 6.670 1.00 0.00 C ATOM 628 CZ TYR A 41 -11.896 8.333 6.602 1.00 0.00 C ATOM 629 OH TYR A 41 -12.066 9.453 7.383 1.00 0.00 O ATOM 0 H TYR A 41 -13.068 3.250 3.343 1.00 0.00 H new ATOM 0 HA TYR A 41 -12.434 5.946 2.675 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -11.798 3.979 4.680 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -10.298 4.638 4.059 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -9.792 7.053 4.312 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -13.355 5.377 5.939 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -10.094 9.052 5.707 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -13.660 7.375 7.334 1.00 0.00 H new ATOM 0 HH TYR A 41 -12.880 9.357 7.920 1.00 0.00 H new ATOM 639 N GLY A 42 -9.913 5.659 1.744 1.00 0.00 N ATOM 640 CA GLY A 42 -8.842 5.595 0.768 1.00 0.00 C ATOM 641 C GLY A 42 -8.124 4.260 0.781 1.00 0.00 C ATOM 642 O GLY A 42 -8.071 3.586 1.810 1.00 0.00 O ATOM 0 H GLY A 42 -9.818 6.402 2.436 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -9.250 5.775 -0.227 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -8.125 6.391 0.967 1.00 0.00 H new ATOM 646 N ARG A 43 -7.570 3.876 -0.364 1.00 0.00 N ATOM 647 CA ARG A 43 -6.852 2.612 -0.479 1.00 0.00 C ATOM 648 C ARG A 43 -5.665 2.566 0.475 1.00 0.00 C ATOM 649 O ARG A 43 -5.237 1.493 0.900 1.00 0.00 O ATOM 650 CB ARG A 43 -6.381 2.398 -1.916 1.00 0.00 C ATOM 651 CG ARG A 43 -6.972 1.161 -2.573 1.00 0.00 C ATOM 652 CD ARG A 43 -8.278 1.478 -3.283 1.00 0.00 C ATOM 653 NE ARG A 43 -9.442 1.118 -2.476 1.00 0.00 N ATOM 654 CZ ARG A 43 -9.905 -0.124 -2.357 1.00 0.00 C ATOM 655 NH1 ARG A 43 -9.308 -1.127 -2.990 1.00 0.00 N ATOM 656 NH2 ARG A 43 -10.969 -0.365 -1.603 1.00 0.00 N ATOM 0 H ARG A 43 -7.604 4.422 -1.225 1.00 0.00 H new ATOM 0 HA ARG A 43 -7.538 1.809 -0.207 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -6.642 3.274 -2.509 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -5.294 2.320 -1.925 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -6.258 0.751 -3.288 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -7.144 0.394 -1.818 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -8.314 2.542 -3.517 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -8.314 0.942 -4.231 1.00 0.00 H new ATOM 0 HE ARG A 43 -9.928 1.862 -1.975 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -8.489 -0.948 -3.572 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -9.668 -2.077 -2.895 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -11.432 0.401 -1.115 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -11.324 -1.317 -1.512 1.00 0.00 H new ATOM 670 N ASN A 44 -5.138 3.737 0.806 1.00 0.00 N ATOM 671 CA ASN A 44 -3.999 3.835 1.709 1.00 0.00 C ATOM 672 C ASN A 44 -4.387 3.435 3.127 1.00 0.00 C ATOM 673 O ASN A 44 -3.543 3.018 3.918 1.00 0.00 O ATOM 674 CB ASN A 44 -3.432 5.253 1.697 1.00 0.00 C ATOM 675 CG ASN A 44 -2.042 5.317 1.096 1.00 0.00 C ATOM 676 OD1 ASN A 44 -1.683 4.506 0.242 1.00 0.00 O ATOM 677 ND2 ASN A 44 -1.251 6.287 1.540 1.00 0.00 N ATOM 0 H ASN A 44 -5.482 4.634 0.462 1.00 0.00 H new ATOM 0 HA ASN A 44 -3.232 3.144 1.359 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -4.099 5.903 1.131 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -3.402 5.637 2.717 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -0.304 6.382 1.172 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -1.590 6.937 2.249 1.00 0.00 H new ATOM 684 N GLU A 45 -5.668 3.558 3.441 1.00 0.00 N ATOM 685 CA GLU A 45 -6.162 3.200 4.759 1.00 0.00 C ATOM 686 C GLU A 45 -6.322 1.690 4.879 1.00 0.00 C ATOM 687 O GLU A 45 -6.316 1.139 5.980 1.00 0.00 O ATOM 688 CB GLU A 45 -7.496 3.896 5.039 1.00 0.00 C ATOM 689 CG GLU A 45 -7.347 5.238 5.737 1.00 0.00 C ATOM 690 CD GLU A 45 -7.423 6.407 4.776 1.00 0.00 C ATOM 691 OE1 GLU A 45 -7.120 6.213 3.580 1.00 0.00 O ATOM 692 OE2 GLU A 45 -7.785 7.517 5.219 1.00 0.00 O ATOM 0 H GLU A 45 -6.383 3.903 2.800 1.00 0.00 H new ATOM 0 HA GLU A 45 -5.433 3.532 5.498 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -8.025 4.042 4.097 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -8.115 3.243 5.654 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -8.128 5.340 6.490 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -6.392 5.266 6.262 1.00 0.00 H new ATOM 699 N LEU A 46 -6.460 1.025 3.737 1.00 0.00 N ATOM 700 CA LEU A 46 -6.616 -0.420 3.710 1.00 0.00 C ATOM 701 C LEU A 46 -5.287 -1.110 3.971 1.00 0.00 C ATOM 702 O LEU A 46 -5.234 -2.159 4.614 1.00 0.00 O ATOM 703 CB LEU A 46 -7.193 -0.868 2.368 1.00 0.00 C ATOM 704 CG LEU A 46 -8.570 -1.529 2.441 1.00 0.00 C ATOM 705 CD1 LEU A 46 -9.241 -1.513 1.077 1.00 0.00 C ATOM 706 CD2 LEU A 46 -8.449 -2.953 2.961 1.00 0.00 C ATOM 0 H LEU A 46 -6.467 1.467 2.818 1.00 0.00 H new ATOM 0 HA LEU A 46 -7.310 -0.704 4.501 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -7.258 -0.001 1.711 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -6.496 -1.567 1.906 1.00 0.00 H new ATOM 0 HG LEU A 46 -9.190 -0.961 3.135 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -10.220 -1.987 1.147 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -9.360 -0.483 0.742 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -8.625 -2.058 0.362 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -9.438 -3.409 3.007 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -7.813 -3.532 2.291 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -8.009 -2.940 3.958 1.00 0.00 H new ATOM 718 N ILE A 47 -4.217 -0.511 3.474 1.00 0.00 N ATOM 719 CA ILE A 47 -2.889 -1.055 3.655 1.00 0.00 C ATOM 720 C ILE A 47 -2.421 -0.860 5.084 1.00 0.00 C ATOM 721 O ILE A 47 -1.829 -1.754 5.688 1.00 0.00 O ATOM 722 CB ILE A 47 -1.877 -0.406 2.695 1.00 0.00 C ATOM 723 CG1 ILE A 47 -2.063 1.113 2.641 1.00 0.00 C ATOM 724 CG2 ILE A 47 -1.995 -1.010 1.305 1.00 0.00 C ATOM 725 CD1 ILE A 47 -1.015 1.821 1.812 1.00 0.00 C ATOM 0 H ILE A 47 -4.247 0.357 2.940 1.00 0.00 H new ATOM 0 HA ILE A 47 -2.945 -2.121 3.433 1.00 0.00 H new ATOM 0 HB ILE A 47 -0.876 -0.608 3.076 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -3.049 1.336 2.233 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -2.041 1.510 3.656 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -1.271 -0.538 0.641 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -1.797 -2.081 1.356 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -3.002 -0.845 0.921 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -1.209 2.894 1.819 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -0.028 1.629 2.232 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -1.051 1.452 0.787 1.00 0.00 H new ATOM 737 N ALA A 48 -2.706 0.312 5.619 1.00 0.00 N ATOM 738 CA ALA A 48 -2.334 0.636 6.984 1.00 0.00 C ATOM 739 C ALA A 48 -3.192 -0.142 7.972 1.00 0.00 C ATOM 740 O ALA A 48 -2.812 -0.328 9.128 1.00 0.00 O ATOM 741 CB ALA A 48 -2.448 2.133 7.228 1.00 0.00 C ATOM 0 H ALA A 48 -3.196 1.059 5.127 1.00 0.00 H new ATOM 0 HA ALA A 48 -1.294 0.346 7.136 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -2.165 2.357 8.257 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -1.785 2.664 6.546 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -3.476 2.452 7.057 1.00 0.00 H new ATOM 747 N ARG A 49 -4.343 -0.613 7.506 1.00 0.00 N ATOM 748 CA ARG A 49 -5.233 -1.391 8.346 1.00 0.00 C ATOM 749 C ARG A 49 -4.682 -2.800 8.511 1.00 0.00 C ATOM 750 O ARG A 49 -4.931 -3.466 9.516 1.00 0.00 O ATOM 751 CB ARG A 49 -6.642 -1.434 7.748 1.00 0.00 C ATOM 752 CG ARG A 49 -7.682 -0.714 8.591 1.00 0.00 C ATOM 753 CD ARG A 49 -7.647 0.788 8.355 1.00 0.00 C ATOM 754 NE ARG A 49 -8.410 1.518 9.364 1.00 0.00 N ATOM 755 CZ ARG A 49 -9.740 1.549 9.409 1.00 0.00 C ATOM 756 NH1 ARG A 49 -10.457 0.892 8.505 1.00 0.00 N ATOM 757 NH2 ARG A 49 -10.356 2.237 10.361 1.00 0.00 N ATOM 0 H ARG A 49 -4.677 -0.468 6.553 1.00 0.00 H new ATOM 0 HA ARG A 49 -5.296 -0.916 9.325 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -6.620 -0.988 6.754 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -6.944 -2.474 7.624 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -8.674 -1.098 8.353 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -7.504 -0.922 9.646 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -6.613 1.132 8.363 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -8.049 1.009 7.366 1.00 0.00 H new ATOM 0 HE ARG A 49 -7.893 2.034 10.076 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -9.989 0.360 7.771 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -11.476 0.919 8.544 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -9.811 2.743 11.059 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -11.375 2.260 10.395 1.00 0.00 H new ATOM 771 N TYR A 50 -3.915 -3.239 7.518 1.00 0.00 N ATOM 772 CA TYR A 50 -3.307 -4.558 7.548 1.00 0.00 C ATOM 773 C TYR A 50 -2.256 -4.635 8.636 1.00 0.00 C ATOM 774 O TYR A 50 -2.290 -5.516 9.495 1.00 0.00 O ATOM 775 CB TYR A 50 -2.679 -4.884 6.204 1.00 0.00 C ATOM 776 CG TYR A 50 -2.540 -6.365 5.941 1.00 0.00 C ATOM 777 CD1 TYR A 50 -3.617 -7.118 5.492 1.00 0.00 C ATOM 778 CD2 TYR A 50 -1.328 -7.012 6.146 1.00 0.00 C ATOM 779 CE1 TYR A 50 -3.490 -8.473 5.254 1.00 0.00 C ATOM 780 CE2 TYR A 50 -1.192 -8.365 5.910 1.00 0.00 C ATOM 781 CZ TYR A 50 -2.276 -9.092 5.464 1.00 0.00 C ATOM 782 OH TYR A 50 -2.145 -10.441 5.229 1.00 0.00 O ATOM 0 H TYR A 50 -3.701 -2.696 6.681 1.00 0.00 H new ATOM 0 HA TYR A 50 -4.089 -5.287 7.760 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -3.283 -4.439 5.413 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -1.694 -4.421 6.152 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -4.569 -6.637 5.326 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -0.477 -6.446 6.496 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -4.337 -9.045 4.905 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -0.242 -8.852 6.074 1.00 0.00 H new ATOM 0 HH TYR A 50 -1.606 -10.582 4.423 1.00 0.00 H new ATOM 792 N ILE A 51 -1.326 -3.699 8.591 1.00 0.00 N ATOM 793 CA ILE A 51 -0.260 -3.641 9.571 1.00 0.00 C ATOM 794 C ILE A 51 -0.823 -3.378 10.956 1.00 0.00 C ATOM 795 O ILE A 51 -0.340 -3.915 11.953 1.00 0.00 O ATOM 796 CB ILE A 51 0.771 -2.552 9.225 1.00 0.00 C ATOM 797 CG1 ILE A 51 0.095 -1.332 8.595 1.00 0.00 C ATOM 798 CG2 ILE A 51 1.842 -3.111 8.300 1.00 0.00 C ATOM 799 CD1 ILE A 51 0.645 -0.013 9.091 1.00 0.00 C ATOM 0 H ILE A 51 -1.288 -2.966 7.883 1.00 0.00 H new ATOM 0 HA ILE A 51 0.242 -4.608 9.558 1.00 0.00 H new ATOM 0 HB ILE A 51 1.246 -2.228 10.151 1.00 0.00 H new ATOM 0 HG12 ILE A 51 0.212 -1.381 7.512 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -0.974 -1.372 8.803 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.564 -2.329 8.064 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.352 -3.939 8.792 1.00 0.00 H new ATOM 0 HG23 ILE A 51 1.379 -3.466 7.380 1.00 0.00 H new ATOM 0 HD11 ILE A 51 0.119 0.807 8.602 1.00 0.00 H new ATOM 0 HD12 ILE A 51 0.504 0.057 10.170 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.708 0.048 8.859 1.00 0.00 H new ATOM 811 N LYS A 52 -1.858 -2.556 11.002 1.00 0.00 N ATOM 812 CA LYS A 52 -2.512 -2.219 12.256 1.00 0.00 C ATOM 813 C LYS A 52 -3.311 -3.407 12.784 1.00 0.00 C ATOM 814 O LYS A 52 -3.581 -3.505 13.981 1.00 0.00 O ATOM 815 CB LYS A 52 -3.432 -1.010 12.069 1.00 0.00 C ATOM 816 CG LYS A 52 -2.686 0.309 11.952 1.00 0.00 C ATOM 817 CD LYS A 52 -2.541 0.988 13.304 1.00 0.00 C ATOM 818 CE LYS A 52 -1.215 1.722 13.419 1.00 0.00 C ATOM 819 NZ LYS A 52 -1.358 3.177 13.133 1.00 0.00 N ATOM 0 H LYS A 52 -2.265 -2.108 10.181 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.742 -1.967 12.985 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -4.035 -1.158 11.173 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -4.121 -0.955 12.911 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -1.699 0.133 11.524 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -3.218 0.969 11.267 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -3.361 1.691 13.449 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -2.616 0.243 14.096 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -0.812 1.587 14.423 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -0.497 1.285 12.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -0.432 3.641 13.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -1.719 3.307 12.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -2.024 3.600 13.811 1.00 0.00 H new ATOM 833 N LEU A 53 -3.686 -4.307 11.881 1.00 0.00 N ATOM 834 CA LEU A 53 -4.452 -5.486 12.249 1.00 0.00 C ATOM 835 C LEU A 53 -3.547 -6.580 12.809 1.00 0.00 C ATOM 836 O LEU A 53 -4.003 -7.460 13.540 1.00 0.00 O ATOM 837 CB LEU A 53 -5.227 -6.013 11.038 1.00 0.00 C ATOM 838 CG LEU A 53 -6.716 -5.657 11.018 1.00 0.00 C ATOM 839 CD1 LEU A 53 -7.136 -5.190 9.632 1.00 0.00 C ATOM 840 CD2 LEU A 53 -7.555 -6.848 11.456 1.00 0.00 C ATOM 0 H LEU A 53 -3.470 -4.239 10.887 1.00 0.00 H new ATOM 0 HA LEU A 53 -5.158 -5.199 13.028 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.764 -5.624 10.131 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -5.128 -7.098 11.006 1.00 0.00 H new ATOM 0 HG LEU A 53 -6.883 -4.841 11.721 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -8.197 -4.942 9.638 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -6.558 -4.308 9.355 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -6.953 -5.985 8.909 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -8.610 -6.577 11.436 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -7.382 -7.684 10.778 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -7.274 -7.138 12.469 1.00 0.00 H new ATOM 852 N ARG A 54 -2.267 -6.525 12.457 1.00 0.00 N ATOM 853 CA ARG A 54 -1.307 -7.513 12.919 1.00 0.00 C ATOM 854 C ARG A 54 -0.402 -6.946 14.003 1.00 0.00 C ATOM 855 O ARG A 54 -0.352 -7.458 15.121 1.00 0.00 O ATOM 856 CB ARG A 54 -0.465 -8.022 11.746 1.00 0.00 C ATOM 857 CG ARG A 54 -0.887 -9.394 11.246 1.00 0.00 C ATOM 858 CD ARG A 54 0.306 -10.198 10.755 1.00 0.00 C ATOM 859 NE ARG A 54 0.182 -11.617 11.083 1.00 0.00 N ATOM 860 CZ ARG A 54 0.391 -12.117 12.299 1.00 0.00 C ATOM 861 NH1 ARG A 54 0.734 -11.320 13.303 1.00 0.00 N ATOM 862 NH2 ARG A 54 0.257 -13.419 12.511 1.00 0.00 N ATOM 0 H ARG A 54 -1.873 -5.804 11.852 1.00 0.00 H new ATOM 0 HA ARG A 54 -1.866 -8.345 13.348 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -0.532 -7.309 10.925 1.00 0.00 H new ATOM 0 HB3 ARG A 54 0.581 -8.061 12.050 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -1.388 -9.937 12.048 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -1.609 -9.282 10.437 1.00 0.00 H new ATOM 0 HD2 ARG A 54 0.402 -10.082 9.675 1.00 0.00 H new ATOM 0 HD3 ARG A 54 1.219 -9.801 11.200 1.00 0.00 H new ATOM 0 HE ARG A 54 -0.080 -12.261 10.337 1.00 0.00 H new ATOM 0 HH11 ARG A 54 0.839 -10.318 13.146 1.00 0.00 H new ATOM 0 HH12 ARG A 54 0.893 -11.710 14.232 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -0.006 -14.036 11.743 1.00 0.00 H new ATOM 0 HH22 ARG A 54 0.417 -13.803 13.442 1.00 0.00 H new ATOM 876 N THR A 55 0.313 -5.891 13.657 1.00 0.00 N ATOM 877 CA THR A 55 1.229 -5.246 14.585 1.00 0.00 C ATOM 878 C THR A 55 0.510 -4.207 15.437 1.00 0.00 C ATOM 879 O THR A 55 0.873 -3.973 16.590 1.00 0.00 O ATOM 880 CB THR A 55 2.386 -4.593 13.825 1.00 0.00 C ATOM 881 OG1 THR A 55 2.045 -4.392 12.465 1.00 0.00 O ATOM 882 CG2 THR A 55 3.660 -5.410 13.862 1.00 0.00 C ATOM 0 H THR A 55 0.277 -5.459 12.734 1.00 0.00 H new ATOM 0 HA THR A 55 1.628 -6.013 15.249 1.00 0.00 H new ATOM 0 HB THR A 55 2.565 -3.644 14.331 1.00 0.00 H new ATOM 0 HG1 THR A 55 1.272 -3.793 12.407 1.00 0.00 H new ATOM 0 HG21 THR A 55 4.441 -4.892 13.305 1.00 0.00 H new ATOM 0 HG22 THR A 55 3.978 -5.541 14.896 1.00 0.00 H new ATOM 0 HG23 THR A 55 3.480 -6.386 13.411 1.00 0.00 H new ATOM 890 N GLY A 56 -0.508 -3.589 14.859 1.00 0.00 N ATOM 891 CA GLY A 56 -1.268 -2.579 15.573 1.00 0.00 C ATOM 892 C GLY A 56 -0.410 -1.415 16.033 1.00 0.00 C ATOM 893 O GLY A 56 -0.806 -0.658 16.919 1.00 0.00 O ATOM 0 H GLY A 56 -0.824 -3.768 13.906 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -2.064 -2.206 14.928 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -1.747 -3.036 16.439 1.00 0.00 H new ATOM 897 N LYS A 57 0.765 -1.271 15.431 1.00 0.00 N ATOM 898 CA LYS A 57 1.677 -0.195 15.783 1.00 0.00 C ATOM 899 C LYS A 57 2.727 0.008 14.695 1.00 0.00 C ATOM 900 O LYS A 57 3.813 -0.569 14.749 1.00 0.00 O ATOM 901 CB LYS A 57 2.353 -0.494 17.116 1.00 0.00 C ATOM 902 CG LYS A 57 2.277 0.654 18.109 1.00 0.00 C ATOM 903 CD LYS A 57 3.426 1.632 17.919 1.00 0.00 C ATOM 904 CE LYS A 57 3.536 2.596 19.089 1.00 0.00 C ATOM 905 NZ LYS A 57 4.571 2.164 20.068 1.00 0.00 N ATOM 0 H LYS A 57 1.107 -1.889 14.695 1.00 0.00 H new ATOM 0 HA LYS A 57 1.099 0.725 15.875 1.00 0.00 H new ATOM 0 HB2 LYS A 57 1.891 -1.377 17.558 1.00 0.00 H new ATOM 0 HB3 LYS A 57 3.400 -0.739 16.936 1.00 0.00 H new ATOM 0 HG2 LYS A 57 1.329 1.178 17.989 1.00 0.00 H new ATOM 0 HG3 LYS A 57 2.298 0.260 19.125 1.00 0.00 H new ATOM 0 HD2 LYS A 57 4.360 1.081 17.811 1.00 0.00 H new ATOM 0 HD3 LYS A 57 3.279 2.193 16.996 1.00 0.00 H new ATOM 0 HE2 LYS A 57 3.780 3.591 18.718 1.00 0.00 H new ATOM 0 HE3 LYS A 57 2.571 2.671 19.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 4.615 2.847 20.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 4.325 1.225 20.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 5.497 2.117 19.597 1.00 0.00 H new ATOM 919 N THR A 58 2.396 0.834 13.708 1.00 0.00 N ATOM 920 CA THR A 58 3.306 1.118 12.611 1.00 0.00 C ATOM 921 C THR A 58 3.106 2.535 12.085 1.00 0.00 C ATOM 922 O THR A 58 2.142 3.212 12.443 1.00 0.00 O ATOM 923 CB THR A 58 3.118 0.110 11.480 1.00 0.00 C ATOM 924 OG1 THR A 58 2.317 -0.980 11.900 1.00 0.00 O ATOM 925 CG2 THR A 58 4.423 -0.451 10.957 1.00 0.00 C ATOM 0 H THR A 58 1.500 1.319 13.648 1.00 0.00 H new ATOM 0 HA THR A 58 4.323 1.033 12.993 1.00 0.00 H new ATOM 0 HB THR A 58 2.632 0.666 10.678 1.00 0.00 H new ATOM 0 HG1 THR A 58 2.890 -1.683 12.271 1.00 0.00 H new ATOM 0 HG21 THR A 58 4.219 -1.161 10.155 1.00 0.00 H new ATOM 0 HG22 THR A 58 5.041 0.361 10.574 1.00 0.00 H new ATOM 0 HG23 THR A 58 4.951 -0.958 11.765 1.00 0.00 H new ATOM 933 N ARG A 59 4.015 2.970 11.219 1.00 0.00 N ATOM 934 CA ARG A 59 3.936 4.290 10.625 1.00 0.00 C ATOM 935 C ARG A 59 4.675 4.307 9.295 1.00 0.00 C ATOM 936 O ARG A 59 5.701 4.971 9.143 1.00 0.00 O ATOM 937 CB ARG A 59 4.522 5.341 11.571 1.00 0.00 C ATOM 938 CG ARG A 59 4.210 6.770 11.160 1.00 0.00 C ATOM 939 CD ARG A 59 4.433 7.741 12.308 1.00 0.00 C ATOM 940 NE ARG A 59 5.845 7.850 12.667 1.00 0.00 N ATOM 941 CZ ARG A 59 6.299 8.587 13.679 1.00 0.00 C ATOM 942 NH1 ARG A 59 5.456 9.280 14.434 1.00 0.00 N ATOM 943 NH2 ARG A 59 7.599 8.630 13.936 1.00 0.00 N ATOM 0 H ARG A 59 4.818 2.420 10.914 1.00 0.00 H new ATOM 0 HA ARG A 59 2.888 4.532 10.450 1.00 0.00 H new ATOM 0 HB2 ARG A 59 4.137 5.168 12.576 1.00 0.00 H new ATOM 0 HB3 ARG A 59 5.603 5.213 11.618 1.00 0.00 H new ATOM 0 HG2 ARG A 59 4.839 7.052 10.316 1.00 0.00 H new ATOM 0 HG3 ARG A 59 3.176 6.835 10.823 1.00 0.00 H new ATOM 0 HD2 ARG A 59 4.053 8.724 12.030 1.00 0.00 H new ATOM 0 HD3 ARG A 59 3.863 7.412 13.177 1.00 0.00 H new ATOM 0 HE ARG A 59 6.523 7.331 12.109 1.00 0.00 H new ATOM 0 HH11 ARG A 59 4.455 9.250 14.240 1.00 0.00 H new ATOM 0 HH12 ARG A 59 5.809 9.843 15.208 1.00 0.00 H new ATOM 0 HH21 ARG A 59 8.251 8.099 13.359 1.00 0.00 H new ATOM 0 HH22 ARG A 59 7.947 9.194 14.711 1.00 0.00 H new ATOM 957 N THR A 60 4.139 3.567 8.337 1.00 0.00 N ATOM 958 CA THR A 60 4.724 3.480 7.012 1.00 0.00 C ATOM 959 C THR A 60 3.638 3.497 5.940 1.00 0.00 C ATOM 960 O THR A 60 3.192 2.447 5.480 1.00 0.00 O ATOM 961 CB THR A 60 5.573 2.214 6.884 1.00 0.00 C ATOM 962 OG1 THR A 60 5.488 1.427 8.059 1.00 0.00 O ATOM 963 CG2 THR A 60 7.037 2.500 6.628 1.00 0.00 C ATOM 0 H THR A 60 3.291 3.013 8.457 1.00 0.00 H new ATOM 0 HA THR A 60 5.367 4.348 6.866 1.00 0.00 H new ATOM 0 HB THR A 60 5.166 1.681 6.025 1.00 0.00 H new ATOM 0 HG1 THR A 60 5.146 0.537 7.833 1.00 0.00 H new ATOM 0 HG21 THR A 60 7.583 1.560 6.548 1.00 0.00 H new ATOM 0 HG22 THR A 60 7.141 3.061 5.699 1.00 0.00 H new ATOM 0 HG23 THR A 60 7.443 3.086 7.453 1.00 0.00 H new ATOM 971 N ARG A 61 3.213 4.694 5.548 1.00 0.00 N ATOM 972 CA ARG A 61 2.180 4.842 4.538 1.00 0.00 C ATOM 973 C ARG A 61 2.751 5.403 3.242 1.00 0.00 C ATOM 974 O ARG A 61 2.219 5.158 2.159 1.00 0.00 O ATOM 975 CB ARG A 61 1.057 5.746 5.051 1.00 0.00 C ATOM 976 CG ARG A 61 -0.328 5.311 4.602 1.00 0.00 C ATOM 977 CD ARG A 61 -1.413 6.191 5.203 1.00 0.00 C ATOM 978 NE ARG A 61 -1.440 6.110 6.662 1.00 0.00 N ATOM 979 CZ ARG A 61 -0.702 6.875 7.465 1.00 0.00 C ATOM 980 NH1 ARG A 61 0.127 7.780 6.959 1.00 0.00 N ATOM 981 NH2 ARG A 61 -0.792 6.733 8.780 1.00 0.00 N ATOM 0 H ARG A 61 3.571 5.575 5.917 1.00 0.00 H new ATOM 0 HA ARG A 61 1.773 3.852 4.330 1.00 0.00 H new ATOM 0 HB2 ARG A 61 1.087 5.766 6.140 1.00 0.00 H new ATOM 0 HB3 ARG A 61 1.237 6.765 4.709 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -0.388 5.350 3.514 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -0.497 4.274 4.893 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -1.249 7.225 4.901 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -2.383 5.892 4.806 1.00 0.00 H new ATOM 0 HE ARG A 61 -2.062 5.426 7.092 1.00 0.00 H new ATOM 0 HH11 ARG A 61 0.203 7.894 5.948 1.00 0.00 H new ATOM 0 HH12 ARG A 61 0.688 8.362 7.581 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -1.426 6.039 9.176 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -0.227 7.318 9.396 1.00 0.00 H new ATOM 995 N LYS A 62 3.832 6.159 3.362 1.00 0.00 N ATOM 996 CA LYS A 62 4.476 6.760 2.205 1.00 0.00 C ATOM 997 C LYS A 62 5.245 5.721 1.403 1.00 0.00 C ATOM 998 O LYS A 62 5.329 5.802 0.177 1.00 0.00 O ATOM 999 CB LYS A 62 5.409 7.887 2.644 1.00 0.00 C ATOM 1000 CG LYS A 62 5.089 9.227 2.001 1.00 0.00 C ATOM 1001 CD LYS A 62 5.632 9.308 0.584 1.00 0.00 C ATOM 1002 CE LYS A 62 6.177 10.693 0.275 1.00 0.00 C ATOM 1003 NZ LYS A 62 7.657 10.755 0.434 1.00 0.00 N ATOM 0 H LYS A 62 4.282 6.371 4.252 1.00 0.00 H new ATOM 0 HA LYS A 62 3.698 7.174 1.563 1.00 0.00 H new ATOM 0 HB2 LYS A 62 5.355 7.991 3.728 1.00 0.00 H new ATOM 0 HB3 LYS A 62 6.436 7.613 2.401 1.00 0.00 H new ATOM 0 HG2 LYS A 62 4.009 9.377 1.987 1.00 0.00 H new ATOM 0 HG3 LYS A 62 5.515 10.031 2.602 1.00 0.00 H new ATOM 0 HD2 LYS A 62 6.421 8.568 0.453 1.00 0.00 H new ATOM 0 HD3 LYS A 62 4.842 9.060 -0.124 1.00 0.00 H new ATOM 0 HE2 LYS A 62 5.909 10.969 -0.745 1.00 0.00 H new ATOM 0 HE3 LYS A 62 5.710 11.423 0.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 7.990 11.716 0.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 7.911 10.516 1.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 8.105 10.077 -0.215 1.00 0.00 H new ATOM 1017 N GLN A 63 5.800 4.744 2.102 1.00 0.00 N ATOM 1018 CA GLN A 63 6.560 3.684 1.460 1.00 0.00 C ATOM 1019 C GLN A 63 5.628 2.690 0.785 1.00 0.00 C ATOM 1020 O GLN A 63 5.950 2.128 -0.262 1.00 0.00 O ATOM 1021 CB GLN A 63 7.452 2.973 2.475 1.00 0.00 C ATOM 1022 CG GLN A 63 8.936 3.093 2.169 1.00 0.00 C ATOM 1023 CD GLN A 63 9.494 1.855 1.495 1.00 0.00 C ATOM 1024 OE1 GLN A 63 8.752 1.064 0.912 1.00 0.00 O ATOM 1025 NE2 GLN A 63 10.808 1.682 1.570 1.00 0.00 N ATOM 0 H GLN A 63 5.738 4.663 3.117 1.00 0.00 H new ATOM 0 HA GLN A 63 7.195 4.133 0.697 1.00 0.00 H new ATOM 0 HB2 GLN A 63 7.259 3.384 3.466 1.00 0.00 H new ATOM 0 HB3 GLN A 63 7.181 1.918 2.509 1.00 0.00 H new ATOM 0 HG2 GLN A 63 9.102 3.958 1.527 1.00 0.00 H new ATOM 0 HG3 GLN A 63 9.481 3.275 3.095 1.00 0.00 H new ATOM 0 HE21 GLN A 63 11.385 2.363 2.064 1.00 0.00 H new ATOM 0 HE22 GLN A 63 11.241 0.868 1.134 1.00 0.00 H new ATOM 1034 N VAL A 64 4.469 2.487 1.390 1.00 0.00 N ATOM 1035 CA VAL A 64 3.478 1.572 0.854 1.00 0.00 C ATOM 1036 C VAL A 64 2.706 2.213 -0.294 1.00 0.00 C ATOM 1037 O VAL A 64 2.064 1.522 -1.081 1.00 0.00 O ATOM 1038 CB VAL A 64 2.484 1.110 1.936 1.00 0.00 C ATOM 1039 CG1 VAL A 64 1.523 0.072 1.375 1.00 0.00 C ATOM 1040 CG2 VAL A 64 3.229 0.557 3.141 1.00 0.00 C ATOM 0 H VAL A 64 4.192 2.947 2.257 1.00 0.00 H new ATOM 0 HA VAL A 64 4.021 0.702 0.485 1.00 0.00 H new ATOM 0 HB VAL A 64 1.901 1.973 2.259 1.00 0.00 H new ATOM 0 HG11 VAL A 64 0.829 -0.241 2.155 1.00 0.00 H new ATOM 0 HG12 VAL A 64 0.964 0.504 0.545 1.00 0.00 H new ATOM 0 HG13 VAL A 64 2.086 -0.792 1.022 1.00 0.00 H new ATOM 0 HG21 VAL A 64 2.512 0.235 3.896 1.00 0.00 H new ATOM 0 HG22 VAL A 64 3.838 -0.293 2.834 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.872 1.332 3.558 1.00 0.00 H new ATOM 1050 N SER A 65 2.783 3.538 -0.393 1.00 0.00 N ATOM 1051 CA SER A 65 2.102 4.258 -1.453 1.00 0.00 C ATOM 1052 C SER A 65 2.975 4.296 -2.695 1.00 0.00 C ATOM 1053 O SER A 65 2.481 4.304 -3.822 1.00 0.00 O ATOM 1054 CB SER A 65 1.756 5.679 -1.004 1.00 0.00 C ATOM 1055 OG SER A 65 0.634 5.682 -0.138 1.00 0.00 O ATOM 0 H SER A 65 3.311 4.129 0.249 1.00 0.00 H new ATOM 0 HA SER A 65 1.173 3.738 -1.687 1.00 0.00 H new ATOM 0 HB2 SER A 65 2.613 6.122 -0.496 1.00 0.00 H new ATOM 0 HB3 SER A 65 1.548 6.299 -1.876 1.00 0.00 H new ATOM 0 HG SER A 65 -0.007 5.001 -0.431 1.00 0.00 H new ATOM 1061 N SER A 66 4.279 4.303 -2.468 1.00 0.00 N ATOM 1062 CA SER A 66 5.246 4.322 -3.547 1.00 0.00 C ATOM 1063 C SER A 66 5.288 2.973 -4.247 1.00 0.00 C ATOM 1064 O SER A 66 5.495 2.889 -5.457 1.00 0.00 O ATOM 1065 CB SER A 66 6.621 4.670 -2.998 1.00 0.00 C ATOM 1066 OG SER A 66 7.275 5.627 -3.814 1.00 0.00 O ATOM 0 H SER A 66 4.692 4.296 -1.535 1.00 0.00 H new ATOM 0 HA SER A 66 4.948 5.078 -4.273 1.00 0.00 H new ATOM 0 HB2 SER A 66 6.522 5.060 -1.985 1.00 0.00 H new ATOM 0 HB3 SER A 66 7.229 3.767 -2.934 1.00 0.00 H new ATOM 0 HG SER A 66 8.155 5.832 -3.436 1.00 0.00 H new ATOM 1072 N HIS A 67 5.089 1.922 -3.467 1.00 0.00 N ATOM 1073 CA HIS A 67 5.100 0.564 -3.991 1.00 0.00 C ATOM 1074 C HIS A 67 3.894 0.311 -4.884 1.00 0.00 C ATOM 1075 O HIS A 67 3.974 -0.437 -5.858 1.00 0.00 O ATOM 1076 CB HIS A 67 5.126 -0.450 -2.846 1.00 0.00 C ATOM 1077 CG HIS A 67 5.813 -1.732 -3.199 1.00 0.00 C ATOM 1078 ND1 HIS A 67 7.149 -1.966 -2.946 1.00 0.00 N ATOM 1079 CD2 HIS A 67 5.343 -2.857 -3.789 1.00 0.00 C ATOM 1080 CE1 HIS A 67 7.470 -3.177 -3.366 1.00 0.00 C ATOM 1081 NE2 HIS A 67 6.392 -3.738 -3.881 1.00 0.00 N ATOM 0 H HIS A 67 4.917 1.984 -2.463 1.00 0.00 H new ATOM 0 HA HIS A 67 6.002 0.444 -4.592 1.00 0.00 H new ATOM 0 HB2 HIS A 67 5.627 -0.003 -1.987 1.00 0.00 H new ATOM 0 HB3 HIS A 67 4.103 -0.668 -2.541 1.00 0.00 H new ATOM 0 HD2 HIS A 67 4.331 -3.029 -4.125 1.00 0.00 H new ATOM 0 HE1 HIS A 67 8.448 -3.631 -3.299 1.00 0.00 H new ATOM 0 HE2 HIS A 67 6.346 -4.675 -4.282 1.00 0.00 H new ATOM 1090 N ILE A 68 2.778 0.941 -4.547 1.00 0.00 N ATOM 1091 CA ILE A 68 1.555 0.786 -5.320 1.00 0.00 C ATOM 1092 C ILE A 68 1.652 1.529 -6.644 1.00 0.00 C ATOM 1093 O ILE A 68 1.064 1.119 -7.645 1.00 0.00 O ATOM 1094 CB ILE A 68 0.321 1.287 -4.543 1.00 0.00 C ATOM 1095 CG1 ILE A 68 0.259 0.631 -3.163 1.00 0.00 C ATOM 1096 CG2 ILE A 68 -0.954 1.000 -5.322 1.00 0.00 C ATOM 1097 CD1 ILE A 68 -0.462 1.469 -2.130 1.00 0.00 C ATOM 0 H ILE A 68 2.694 1.564 -3.744 1.00 0.00 H new ATOM 0 HA ILE A 68 1.434 -0.280 -5.511 1.00 0.00 H new ATOM 0 HB ILE A 68 0.411 2.366 -4.413 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -0.241 -0.334 -3.250 1.00 0.00 H new ATOM 0 HG13 ILE A 68 1.274 0.435 -2.817 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -1.814 1.361 -4.758 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -0.914 1.507 -6.286 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -1.049 -0.074 -5.481 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -0.468 0.943 -1.175 1.00 0.00 H new ATOM 0 HD12 ILE A 68 0.050 2.424 -2.015 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -1.488 1.644 -2.455 1.00 0.00 H new ATOM 1109 N GLN A 69 2.405 2.618 -6.642 1.00 0.00 N ATOM 1110 CA GLN A 69 2.592 3.417 -7.843 1.00 0.00 C ATOM 1111 C GLN A 69 3.529 2.713 -8.814 1.00 0.00 C ATOM 1112 O GLN A 69 3.442 2.900 -10.027 1.00 0.00 O ATOM 1113 CB GLN A 69 3.142 4.800 -7.486 1.00 0.00 C ATOM 1114 CG GLN A 69 2.189 5.633 -6.643 1.00 0.00 C ATOM 1115 CD GLN A 69 2.108 7.074 -7.107 1.00 0.00 C ATOM 1116 OE1 GLN A 69 2.334 7.374 -8.279 1.00 0.00 O ATOM 1117 NE2 GLN A 69 1.785 7.975 -6.186 1.00 0.00 N ATOM 0 H GLN A 69 2.897 2.969 -5.821 1.00 0.00 H new ATOM 0 HA GLN A 69 1.622 3.541 -8.325 1.00 0.00 H new ATOM 0 HB2 GLN A 69 4.082 4.680 -6.947 1.00 0.00 H new ATOM 0 HB3 GLN A 69 3.369 5.340 -8.405 1.00 0.00 H new ATOM 0 HG2 GLN A 69 1.195 5.188 -6.678 1.00 0.00 H new ATOM 0 HG3 GLN A 69 2.513 5.608 -5.603 1.00 0.00 H new ATOM 0 HE21 GLN A 69 1.606 7.681 -5.226 1.00 0.00 H new ATOM 0 HE22 GLN A 69 1.716 8.961 -6.439 1.00 0.00 H new ATOM 1126 N VAL A 70 4.420 1.896 -8.268 1.00 0.00 N ATOM 1127 CA VAL A 70 5.371 1.152 -9.077 1.00 0.00 C ATOM 1128 C VAL A 70 4.686 0.010 -9.812 1.00 0.00 C ATOM 1129 O VAL A 70 5.108 -0.389 -10.897 1.00 0.00 O ATOM 1130 CB VAL A 70 6.515 0.590 -8.229 1.00 0.00 C ATOM 1131 CG1 VAL A 70 7.595 -0.015 -9.113 1.00 0.00 C ATOM 1132 CG2 VAL A 70 7.094 1.667 -7.321 1.00 0.00 C ATOM 0 H VAL A 70 4.503 1.733 -7.265 1.00 0.00 H new ATOM 0 HA VAL A 70 5.784 1.853 -9.802 1.00 0.00 H new ATOM 0 HB VAL A 70 6.113 -0.203 -7.598 1.00 0.00 H new ATOM 0 HG11 VAL A 70 8.398 -0.408 -8.489 1.00 0.00 H new ATOM 0 HG12 VAL A 70 7.168 -0.823 -9.707 1.00 0.00 H new ATOM 0 HG13 VAL A 70 7.994 0.752 -9.777 1.00 0.00 H new ATOM 0 HG21 VAL A 70 7.905 1.245 -6.728 1.00 0.00 H new ATOM 0 HG22 VAL A 70 7.477 2.487 -7.928 1.00 0.00 H new ATOM 0 HG23 VAL A 70 6.315 2.040 -6.657 1.00 0.00 H new ATOM 1142 N LEU A 71 3.622 -0.508 -9.213 1.00 0.00 N ATOM 1143 CA LEU A 71 2.869 -1.601 -9.807 1.00 0.00 C ATOM 1144 C LEU A 71 2.069 -1.115 -11.009 1.00 0.00 C ATOM 1145 O LEU A 71 1.805 -1.873 -11.942 1.00 0.00 O ATOM 1146 CB LEU A 71 1.940 -2.233 -8.772 1.00 0.00 C ATOM 1147 CG LEU A 71 2.230 -3.701 -8.455 1.00 0.00 C ATOM 1148 CD1 LEU A 71 3.519 -3.831 -7.658 1.00 0.00 C ATOM 1149 CD2 LEU A 71 1.067 -4.321 -7.695 1.00 0.00 C ATOM 0 H LEU A 71 3.261 -0.187 -8.314 1.00 0.00 H new ATOM 0 HA LEU A 71 3.577 -2.356 -10.149 1.00 0.00 H new ATOM 0 HB2 LEU A 71 2.005 -1.658 -7.848 1.00 0.00 H new ATOM 0 HB3 LEU A 71 0.913 -2.150 -9.128 1.00 0.00 H new ATOM 0 HG LEU A 71 2.353 -4.239 -9.395 1.00 0.00 H new ATOM 0 HD11 LEU A 71 3.709 -4.882 -7.442 1.00 0.00 H new ATOM 0 HD12 LEU A 71 4.348 -3.424 -8.238 1.00 0.00 H new ATOM 0 HD13 LEU A 71 3.426 -3.279 -6.722 1.00 0.00 H new ATOM 0 HD21 LEU A 71 1.290 -5.366 -7.478 1.00 0.00 H new ATOM 0 HD22 LEU A 71 0.913 -3.781 -6.761 1.00 0.00 H new ATOM 0 HD23 LEU A 71 0.163 -4.262 -8.301 1.00 0.00 H new ATOM 1161 N ALA A 72 1.692 0.156 -10.979 1.00 0.00 N ATOM 1162 CA ALA A 72 0.928 0.751 -12.065 1.00 0.00 C ATOM 1163 C ALA A 72 1.799 0.950 -13.297 1.00 0.00 C ATOM 1164 O ALA A 72 1.312 0.923 -14.427 1.00 0.00 O ATOM 1165 CB ALA A 72 0.318 2.072 -11.623 1.00 0.00 C ATOM 0 H ALA A 72 1.904 0.795 -10.213 1.00 0.00 H new ATOM 0 HA ALA A 72 0.121 0.067 -12.329 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -0.250 2.504 -12.447 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -0.345 1.901 -10.775 1.00 0.00 H new ATOM 0 HB3 ALA A 72 1.112 2.759 -11.330 1.00 0.00 H new ATOM 1171 N ARG A 73 3.090 1.145 -13.069 1.00 0.00 N ATOM 1172 CA ARG A 73 4.036 1.345 -14.156 1.00 0.00 C ATOM 1173 C ARG A 73 4.275 0.043 -14.909 1.00 0.00 C ATOM 1174 O ARG A 73 4.578 0.049 -16.103 1.00 0.00 O ATOM 1175 CB ARG A 73 5.360 1.892 -13.619 1.00 0.00 C ATOM 1176 CG ARG A 73 5.410 3.409 -13.556 1.00 0.00 C ATOM 1177 CD ARG A 73 6.832 3.926 -13.706 1.00 0.00 C ATOM 1178 NE ARG A 73 6.881 5.185 -14.446 1.00 0.00 N ATOM 1179 CZ ARG A 73 6.697 5.280 -15.761 1.00 0.00 C ATOM 1180 NH1 ARG A 73 6.451 4.194 -16.484 1.00 0.00 N ATOM 1181 NH2 ARG A 73 6.759 6.464 -16.355 1.00 0.00 N ATOM 0 H ARG A 73 3.507 1.169 -12.138 1.00 0.00 H new ATOM 0 HA ARG A 73 3.610 2.072 -14.847 1.00 0.00 H new ATOM 0 HB2 ARG A 73 5.532 1.489 -12.621 1.00 0.00 H new ATOM 0 HB3 ARG A 73 6.174 1.536 -14.251 1.00 0.00 H new ATOM 0 HG2 ARG A 73 4.784 3.828 -14.344 1.00 0.00 H new ATOM 0 HG3 ARG A 73 4.996 3.749 -12.606 1.00 0.00 H new ATOM 0 HD2 ARG A 73 7.272 4.068 -12.719 1.00 0.00 H new ATOM 0 HD3 ARG A 73 7.437 3.179 -14.220 1.00 0.00 H new ATOM 0 HE ARG A 73 7.067 6.041 -13.924 1.00 0.00 H new ATOM 0 HH11 ARG A 73 6.402 3.281 -16.032 1.00 0.00 H new ATOM 0 HH12 ARG A 73 6.311 4.273 -17.491 1.00 0.00 H new ATOM 0 HH21 ARG A 73 6.948 7.302 -15.804 1.00 0.00 H new ATOM 0 HH22 ARG A 73 6.618 6.537 -17.363 1.00 0.00 H new ATOM 1195 N ARG A 74 4.134 -1.070 -14.203 1.00 0.00 N ATOM 1196 CA ARG A 74 4.329 -2.383 -14.797 1.00 0.00 C ATOM 1197 C ARG A 74 3.179 -2.731 -15.734 1.00 0.00 C ATOM 1198 O ARG A 74 3.347 -3.489 -16.689 1.00 0.00 O ATOM 1199 CB ARG A 74 4.457 -3.449 -13.707 1.00 0.00 C ATOM 1200 CG ARG A 74 5.876 -3.623 -13.191 1.00 0.00 C ATOM 1201 CD ARG A 74 5.903 -4.406 -11.888 1.00 0.00 C ATOM 1202 NE ARG A 74 6.942 -3.923 -10.981 1.00 0.00 N ATOM 1203 CZ ARG A 74 7.411 -4.624 -9.952 1.00 0.00 C ATOM 1204 NH1 ARG A 74 6.939 -5.838 -9.696 1.00 0.00 N ATOM 1205 NH2 ARG A 74 8.356 -4.111 -9.176 1.00 0.00 N ATOM 0 H ARG A 74 3.884 -1.089 -13.214 1.00 0.00 H new ATOM 0 HA ARG A 74 5.252 -2.357 -15.377 1.00 0.00 H new ATOM 0 HB2 ARG A 74 3.806 -3.185 -12.874 1.00 0.00 H new ATOM 0 HB3 ARG A 74 4.102 -4.402 -14.099 1.00 0.00 H new ATOM 0 HG2 ARG A 74 6.476 -4.140 -13.940 1.00 0.00 H new ATOM 0 HG3 ARG A 74 6.331 -2.644 -13.038 1.00 0.00 H new ATOM 0 HD2 ARG A 74 4.932 -4.331 -11.399 1.00 0.00 H new ATOM 0 HD3 ARG A 74 6.071 -5.461 -12.103 1.00 0.00 H new ATOM 0 HE ARG A 74 7.330 -2.994 -11.146 1.00 0.00 H new ATOM 0 HH11 ARG A 74 6.213 -6.238 -10.290 1.00 0.00 H new ATOM 0 HH12 ARG A 74 7.303 -6.370 -8.906 1.00 0.00 H new ATOM 0 HH21 ARG A 74 8.723 -3.179 -9.368 1.00 0.00 H new ATOM 0 HH22 ARG A 74 8.716 -4.648 -8.387 1.00 0.00 H new ATOM 1219 N LYS A 75 2.011 -2.169 -15.452 1.00 0.00 N ATOM 1220 CA LYS A 75 0.828 -2.413 -16.264 1.00 0.00 C ATOM 1221 C LYS A 75 0.910 -1.668 -17.591 1.00 0.00 C ATOM 1222 O LYS A 75 0.303 -2.073 -18.582 1.00 0.00 O ATOM 1223 CB LYS A 75 -0.434 -1.995 -15.506 1.00 0.00 C ATOM 1224 CG LYS A 75 -1.643 -2.864 -15.812 1.00 0.00 C ATOM 1225 CD LYS A 75 -1.366 -4.329 -15.516 1.00 0.00 C ATOM 1226 CE LYS A 75 -2.653 -5.132 -15.426 1.00 0.00 C ATOM 1227 NZ LYS A 75 -2.500 -6.332 -14.559 1.00 0.00 N ATOM 0 H LYS A 75 1.858 -1.539 -14.664 1.00 0.00 H new ATOM 0 HA LYS A 75 0.780 -3.482 -16.474 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -0.233 -2.030 -14.435 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -0.669 -0.960 -15.752 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -2.494 -2.527 -15.220 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -1.919 -2.749 -16.860 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -0.730 -4.745 -16.297 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -0.816 -4.414 -14.579 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -3.449 -4.499 -15.033 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -2.957 -5.443 -16.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -2.677 -7.190 -15.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -1.534 -6.362 -14.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -3.182 -6.283 -13.775 1.00 0.00 H new ATOM 1241 N SER A 76 1.664 -0.576 -17.601 1.00 0.00 N ATOM 1242 CA SER A 76 1.828 0.230 -18.804 1.00 0.00 C ATOM 1243 C SER A 76 2.612 -0.524 -19.874 1.00 0.00 C ATOM 1244 O SER A 76 2.583 -0.158 -21.049 1.00 0.00 O ATOM 1245 CB SER A 76 2.532 1.546 -18.471 1.00 0.00 C ATOM 1246 OG SER A 76 3.890 1.327 -18.131 1.00 0.00 O ATOM 0 H SER A 76 2.172 -0.228 -16.788 1.00 0.00 H new ATOM 0 HA SER A 76 0.835 0.445 -19.198 1.00 0.00 H new ATOM 0 HB2 SER A 76 2.472 2.220 -19.325 1.00 0.00 H new ATOM 0 HB3 SER A 76 2.021 2.036 -17.642 1.00 0.00 H new ATOM 0 HG SER A 76 3.955 0.567 -17.515 1.00 0.00 H new ATOM 1252 N ARG A 77 3.308 -1.580 -19.465 1.00 0.00 N ATOM 1253 CA ARG A 77 4.093 -2.381 -20.396 1.00 0.00 C ATOM 1254 C ARG A 77 3.206 -2.991 -21.480 1.00 0.00 C ATOM 1255 O ARG A 77 3.696 -3.419 -22.525 1.00 0.00 O ATOM 1256 CB ARG A 77 4.837 -3.488 -19.647 1.00 0.00 C ATOM 1257 CG ARG A 77 5.805 -2.968 -18.597 1.00 0.00 C ATOM 1258 CD ARG A 77 7.101 -2.484 -19.226 1.00 0.00 C ATOM 1259 NE ARG A 77 7.113 -1.035 -19.410 1.00 0.00 N ATOM 1260 CZ ARG A 77 8.220 -0.322 -19.605 1.00 0.00 C ATOM 1261 NH1 ARG A 77 9.405 -0.918 -19.642 1.00 0.00 N ATOM 1262 NH2 ARG A 77 8.142 0.993 -19.765 1.00 0.00 N ATOM 0 H ARG A 77 3.344 -1.900 -18.497 1.00 0.00 H new ATOM 0 HA ARG A 77 4.818 -1.724 -20.876 1.00 0.00 H new ATOM 0 HB2 ARG A 77 4.110 -4.142 -19.166 1.00 0.00 H new ATOM 0 HB3 ARG A 77 5.386 -4.096 -20.366 1.00 0.00 H new ATOM 0 HG2 ARG A 77 5.340 -2.151 -18.045 1.00 0.00 H new ATOM 0 HG3 ARG A 77 6.021 -3.757 -17.877 1.00 0.00 H new ATOM 0 HD2 ARG A 77 7.941 -2.776 -18.596 1.00 0.00 H new ATOM 0 HD3 ARG A 77 7.241 -2.973 -20.190 1.00 0.00 H new ATOM 0 HE ARG A 77 6.221 -0.541 -19.388 1.00 0.00 H new ATOM 0 HH11 ARG A 77 9.472 -1.929 -19.521 1.00 0.00 H new ATOM 0 HH12 ARG A 77 10.249 -0.366 -19.792 1.00 0.00 H new ATOM 0 HH21 ARG A 77 7.234 1.457 -19.739 1.00 0.00 H new ATOM 0 HH22 ARG A 77 8.990 1.540 -19.914 1.00 0.00 H new ATOM 1276 N ASP A 78 1.901 -3.030 -21.225 1.00 0.00 N ATOM 1277 CA ASP A 78 0.953 -3.585 -22.173 1.00 0.00 C ATOM 1278 C ASP A 78 0.141 -2.484 -22.849 1.00 0.00 C ATOM 1279 O ASP A 78 -0.398 -2.677 -23.939 1.00 0.00 O ATOM 1280 CB ASP A 78 0.012 -4.583 -21.485 1.00 0.00 C ATOM 1281 CG ASP A 78 -0.053 -4.407 -19.978 1.00 0.00 C ATOM 1282 OD1 ASP A 78 0.999 -4.545 -19.319 1.00 0.00 O ATOM 1283 OD2 ASP A 78 -1.155 -4.130 -19.460 1.00 0.00 O ATOM 0 H ASP A 78 1.479 -2.681 -20.364 1.00 0.00 H new ATOM 0 HA ASP A 78 1.524 -4.112 -22.938 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -0.990 -4.473 -21.900 1.00 0.00 H new ATOM 0 HB3 ASP A 78 0.341 -5.597 -21.711 1.00 0.00 H new ATOM 1288 N LEU A 79 0.057 -1.330 -22.195 1.00 0.00 N ATOM 1289 CA LEU A 79 -0.690 -0.199 -22.733 1.00 0.00 C ATOM 1290 C LEU A 79 -0.081 0.282 -24.046 1.00 0.00 C ATOM 1291 O LEU A 79 0.697 1.236 -24.068 1.00 0.00 O ATOM 1292 CB LEU A 79 -0.718 0.947 -21.720 1.00 0.00 C ATOM 1293 CG LEU A 79 -1.754 0.801 -20.604 1.00 0.00 C ATOM 1294 CD1 LEU A 79 -1.571 1.891 -19.560 1.00 0.00 C ATOM 1295 CD2 LEU A 79 -3.162 0.840 -21.178 1.00 0.00 C ATOM 0 H LEU A 79 0.497 -1.154 -21.292 1.00 0.00 H new ATOM 0 HA LEU A 79 -1.710 -0.529 -22.927 1.00 0.00 H new ATOM 0 HB2 LEU A 79 0.270 1.036 -21.268 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -0.910 1.878 -22.253 1.00 0.00 H new ATOM 0 HG LEU A 79 -1.606 -0.164 -20.120 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -2.317 1.771 -18.774 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -0.573 1.817 -19.128 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -1.692 2.868 -20.029 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -3.887 0.735 -20.371 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -3.321 1.791 -21.687 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -3.288 0.023 -21.888 1.00 0.00 H new ATOM 1307 N VAL A 80 -0.440 -0.385 -25.138 1.00 0.00 N ATOM 1308 CA VAL A 80 0.070 -0.026 -26.455 1.00 0.00 C ATOM 1309 C VAL A 80 -0.366 1.387 -26.847 1.00 0.00 C ATOM 1310 O VAL A 80 -1.545 1.628 -27.107 1.00 0.00 O ATOM 1311 CB VAL A 80 -0.409 -1.021 -27.531 1.00 0.00 C ATOM 1312 CG1 VAL A 80 -1.928 -1.030 -27.618 1.00 0.00 C ATOM 1313 CG2 VAL A 80 0.209 -0.691 -28.882 1.00 0.00 C ATOM 0 H VAL A 80 -1.082 -1.177 -25.136 1.00 0.00 H new ATOM 0 HA VAL A 80 1.158 -0.063 -26.397 1.00 0.00 H new ATOM 0 HB VAL A 80 -0.081 -2.020 -27.243 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -2.244 -1.739 -28.383 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -2.346 -1.325 -26.655 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -2.283 -0.033 -27.878 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -0.142 -1.405 -29.627 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -0.083 0.316 -29.179 1.00 0.00 H new ATOM 0 HG23 VAL A 80 1.295 -0.748 -28.809 1.00 0.00 H new ATOM 1323 N PRO A 81 0.580 2.344 -26.896 1.00 0.00 N ATOM 1324 CA PRO A 81 0.277 3.732 -27.259 1.00 0.00 C ATOM 1325 C PRO A 81 -0.126 3.875 -28.723 1.00 0.00 C ATOM 1326 O PRO A 81 0.723 4.060 -29.595 1.00 0.00 O ATOM 1327 CB PRO A 81 1.589 4.468 -26.992 1.00 0.00 C ATOM 1328 CG PRO A 81 2.636 3.421 -27.112 1.00 0.00 C ATOM 1329 CD PRO A 81 2.012 2.153 -26.603 1.00 0.00 C ATOM 0 HA PRO A 81 -0.568 4.123 -26.692 1.00 0.00 H new ATOM 0 HB2 PRO A 81 1.747 5.271 -27.712 1.00 0.00 H new ATOM 0 HB3 PRO A 81 1.594 4.922 -26.001 1.00 0.00 H new ATOM 0 HG2 PRO A 81 2.959 3.309 -28.147 1.00 0.00 H new ATOM 0 HG3 PRO A 81 3.519 3.683 -26.529 1.00 0.00 H new ATOM 0 HD2 PRO A 81 2.413 1.275 -27.109 1.00 0.00 H new ATOM 0 HD3 PRO A 81 2.190 2.016 -25.537 1.00 0.00 H new ATOM 1337 N ARG A 82 -1.426 3.788 -28.985 1.00 0.00 N ATOM 1338 CA ARG A 82 -1.942 3.908 -30.344 1.00 0.00 C ATOM 1339 C ARG A 82 -1.589 5.266 -30.942 1.00 0.00 C ATOM 1340 O ARG A 82 -1.958 6.293 -30.335 1.00 0.00 O ATOM 1341 CB ARG A 82 -3.459 3.712 -30.355 1.00 0.00 C ATOM 1342 CG ARG A 82 -3.883 2.257 -30.477 1.00 0.00 C ATOM 1343 CD ARG A 82 -5.362 2.134 -30.805 1.00 0.00 C ATOM 1344 NE ARG A 82 -5.975 0.983 -30.146 1.00 0.00 N ATOM 1345 CZ ARG A 82 -5.858 -0.269 -30.581 1.00 0.00 C ATOM 1346 NH1 ARG A 82 -5.154 -0.537 -31.674 1.00 0.00 N ATOM 1347 NH2 ARG A 82 -6.448 -1.257 -29.922 1.00 0.00 N ATOM 1348 OXT ARG A 82 -0.945 5.292 -32.012 1.00 0.00 O ATOM 0 H ARG A 82 -2.141 3.635 -28.274 1.00 0.00 H new ATOM 0 HA ARG A 82 -1.478 3.132 -30.952 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -3.878 4.128 -29.439 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -3.884 4.277 -31.185 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -3.295 1.769 -31.255 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -3.672 1.736 -29.543 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -5.878 3.044 -30.499 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -5.488 2.043 -31.884 1.00 0.00 H new ATOM 0 HE ARG A 82 -6.525 1.149 -29.303 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -4.699 0.219 -32.186 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -5.068 -1.499 -32.002 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -6.991 -1.057 -29.082 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -6.359 -2.217 -30.255 1.00 0.00 H new TER 1362 ARG A 82