USER MOD reduce.3.24.130724 H: found=0, std=0, add=456, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 451 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 37 CYS SG : rot 115:sc= -0.799 USER MOD Set 1.2: A 39 HIS : no HD1:sc= -1.01 K(o=-3.7,f=-4.8) USER MOD Set 1.3: A 62 CYS SG : rot 130:sc= 0.35 USER MOD Set 1.4: A 65 CYS SG : rot -45:sc= -2.2! USER MOD Set 2.1: A 22 CYS SG : rot 70:sc= 1.51 USER MOD Set 2.2: A 25 CYS SG : rot -56:sc= -2.08 USER MOD Set 2.3: A 42 CYS SG : rot 73:sc= 1.35 USER MOD Set 2.4: A 45 CYS SG : rot 129:sc= -0.669 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 43:sc= 0.559 USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 118:sc= 0.782 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 SER OG : rot 180:sc= -0.104 USER MOD Single : A 47 THR OG1 : rot 84:sc= 1.23 USER MOD Single : A 49 ASN : amide:sc= -0.18 K(o=-0.18,f=-1.2) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc=-0.00889 X(o=-0.0089,f=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -0.0748 X(o=-0.075,f=-0.39) USER MOD Single : A 75 LYS NZ :NH3+ 153:sc= -0.179 (180deg=-0.662) USER MOD ----------------------------------------------------------------- ATOM 30 N GLY A 4 9.858 -4.164 1.537 1.00 0.00 N ATOM 31 CA GLY A 4 10.603 -5.375 1.826 1.00 0.00 C ATOM 32 C GLY A 4 9.781 -6.629 1.605 1.00 0.00 C ATOM 33 O GLY A 4 8.623 -6.701 2.017 1.00 0.00 O ATOM 0 HA2 GLY A 4 11.491 -5.411 1.195 1.00 0.00 H new ATOM 0 HA3 GLY A 4 10.947 -5.348 2.860 1.00 0.00 H new ATOM 37 N SER A 5 10.379 -7.619 0.951 1.00 0.00 N ATOM 38 CA SER A 5 9.693 -8.875 0.670 1.00 0.00 C ATOM 39 C SER A 5 10.642 -9.882 0.028 1.00 0.00 C ATOM 40 O SER A 5 11.750 -9.534 -0.380 1.00 0.00 O ATOM 41 CB SER A 5 8.493 -8.631 -0.248 1.00 0.00 C ATOM 42 OG SER A 5 8.911 -8.170 -1.521 1.00 0.00 O ATOM 0 H SER A 5 11.338 -7.576 0.605 1.00 0.00 H new ATOM 0 HA SER A 5 9.341 -9.287 1.616 1.00 0.00 H new ATOM 0 HB2 SER A 5 7.924 -9.554 -0.361 1.00 0.00 H new ATOM 0 HB3 SER A 5 7.826 -7.898 0.207 1.00 0.00 H new ATOM 0 HG SER A 5 8.126 -8.023 -2.090 1.00 0.00 H new ATOM 48 N SER A 6 10.200 -11.132 -0.057 1.00 0.00 N ATOM 49 CA SER A 6 11.010 -12.192 -0.646 1.00 0.00 C ATOM 50 C SER A 6 10.132 -13.337 -1.140 1.00 0.00 C ATOM 51 O SER A 6 8.932 -13.375 -0.871 1.00 0.00 O ATOM 52 CB SER A 6 12.023 -12.715 0.375 1.00 0.00 C ATOM 53 OG SER A 6 11.385 -13.492 1.374 1.00 0.00 O ATOM 0 H SER A 6 9.285 -11.436 0.275 1.00 0.00 H new ATOM 0 HA SER A 6 11.546 -11.775 -1.499 1.00 0.00 H new ATOM 0 HB2 SER A 6 12.777 -13.317 -0.132 1.00 0.00 H new ATOM 0 HB3 SER A 6 12.543 -11.877 0.839 1.00 0.00 H new ATOM 0 HG SER A 6 12.054 -13.816 2.013 1.00 0.00 H new ATOM 59 N GLY A 7 10.740 -14.270 -1.866 1.00 0.00 N ATOM 60 CA GLY A 7 9.999 -15.404 -2.388 1.00 0.00 C ATOM 61 C GLY A 7 10.898 -16.576 -2.728 1.00 0.00 C ATOM 62 O GLY A 7 12.120 -16.483 -2.617 1.00 0.00 O ATOM 0 H GLY A 7 11.732 -14.261 -2.102 1.00 0.00 H new ATOM 0 HA2 GLY A 7 9.258 -15.719 -1.653 1.00 0.00 H new ATOM 0 HA3 GLY A 7 9.453 -15.098 -3.280 1.00 0.00 H new ATOM 66 N MET A 8 10.292 -17.684 -3.143 1.00 0.00 N ATOM 67 CA MET A 8 11.046 -18.879 -3.501 1.00 0.00 C ATOM 68 C MET A 8 10.297 -19.703 -4.543 1.00 0.00 C ATOM 69 O MET A 8 9.110 -19.485 -4.784 1.00 0.00 O ATOM 70 CB MET A 8 11.314 -19.730 -2.258 1.00 0.00 C ATOM 71 CG MET A 8 12.587 -20.556 -2.349 1.00 0.00 C ATOM 72 SD MET A 8 13.150 -21.144 -0.741 1.00 0.00 S ATOM 73 CE MET A 8 14.758 -21.808 -1.167 1.00 0.00 C ATOM 0 H MET A 8 9.281 -17.779 -3.239 1.00 0.00 H new ATOM 0 HA MET A 8 11.997 -18.563 -3.929 1.00 0.00 H new ATOM 0 HB2 MET A 8 11.376 -19.077 -1.387 1.00 0.00 H new ATOM 0 HB3 MET A 8 10.468 -20.398 -2.096 1.00 0.00 H new ATOM 0 HG2 MET A 8 12.415 -21.410 -3.004 1.00 0.00 H new ATOM 0 HG3 MET A 8 13.373 -19.956 -2.808 1.00 0.00 H new ATOM 0 HE1 MET A 8 15.234 -22.211 -0.273 1.00 0.00 H new ATOM 0 HE2 MET A 8 14.640 -22.602 -1.904 1.00 0.00 H new ATOM 0 HE3 MET A 8 15.380 -21.016 -1.583 1.00 0.00 H new ATOM 83 N ALA A 9 10.998 -20.650 -5.158 1.00 0.00 N ATOM 84 CA ALA A 9 10.398 -21.507 -6.173 1.00 0.00 C ATOM 85 C ALA A 9 9.188 -22.251 -5.618 1.00 0.00 C ATOM 86 O ALA A 9 9.031 -22.382 -4.405 1.00 0.00 O ATOM 87 CB ALA A 9 11.427 -22.493 -6.707 1.00 0.00 C ATOM 0 H ALA A 9 11.982 -20.843 -4.971 1.00 0.00 H new ATOM 0 HA ALA A 9 10.058 -20.874 -6.993 1.00 0.00 H new ATOM 0 HB1 ALA A 9 10.965 -23.127 -7.464 1.00 0.00 H new ATOM 0 HB2 ALA A 9 12.259 -21.946 -7.150 1.00 0.00 H new ATOM 0 HB3 ALA A 9 11.795 -23.114 -5.890 1.00 0.00 H new ATOM 93 N SER A 10 8.335 -22.736 -6.515 1.00 0.00 N ATOM 94 CA SER A 10 7.136 -23.463 -6.114 1.00 0.00 C ATOM 95 C SER A 10 6.918 -24.684 -7.003 1.00 0.00 C ATOM 96 O SER A 10 7.682 -24.929 -7.937 1.00 0.00 O ATOM 97 CB SER A 10 5.913 -22.547 -6.179 1.00 0.00 C ATOM 98 OG SER A 10 5.742 -21.838 -4.963 1.00 0.00 O ATOM 0 H SER A 10 8.452 -22.639 -7.524 1.00 0.00 H new ATOM 0 HA SER A 10 7.273 -23.802 -5.087 1.00 0.00 H new ATOM 0 HB2 SER A 10 6.026 -21.842 -7.002 1.00 0.00 H new ATOM 0 HB3 SER A 10 5.022 -23.139 -6.387 1.00 0.00 H new ATOM 0 HG SER A 10 4.955 -21.258 -5.030 1.00 0.00 H new ATOM 104 N SER A 11 5.871 -25.446 -6.706 1.00 0.00 N ATOM 105 CA SER A 11 5.553 -26.643 -7.474 1.00 0.00 C ATOM 106 C SER A 11 4.182 -26.519 -8.132 1.00 0.00 C ATOM 107 O SER A 11 3.184 -27.016 -7.612 1.00 0.00 O ATOM 108 CB SER A 11 5.589 -27.878 -6.572 1.00 0.00 C ATOM 109 OG SER A 11 4.701 -27.736 -5.477 1.00 0.00 O ATOM 0 H SER A 11 5.228 -25.255 -5.938 1.00 0.00 H new ATOM 0 HA SER A 11 6.303 -26.752 -8.257 1.00 0.00 H new ATOM 0 HB2 SER A 11 5.320 -28.762 -7.150 1.00 0.00 H new ATOM 0 HB3 SER A 11 6.603 -28.034 -6.204 1.00 0.00 H new ATOM 0 HG SER A 11 3.855 -27.353 -5.789 1.00 0.00 H new ATOM 115 N VAL A 12 4.143 -25.852 -9.281 1.00 0.00 N ATOM 116 CA VAL A 12 2.896 -25.662 -10.012 1.00 0.00 C ATOM 117 C VAL A 12 3.117 -25.781 -11.516 1.00 0.00 C ATOM 118 O VAL A 12 4.107 -25.280 -12.051 1.00 0.00 O ATOM 119 CB VAL A 12 2.267 -24.290 -9.704 1.00 0.00 C ATOM 120 CG1 VAL A 12 0.949 -24.128 -10.445 1.00 0.00 C ATOM 121 CG2 VAL A 12 2.070 -24.120 -8.205 1.00 0.00 C ATOM 0 H VAL A 12 4.960 -25.434 -9.726 1.00 0.00 H new ATOM 0 HA VAL A 12 2.215 -26.447 -9.684 1.00 0.00 H new ATOM 0 HB VAL A 12 2.948 -23.512 -10.049 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.520 -23.153 -10.215 1.00 0.00 H new ATOM 0 HG12 VAL A 12 1.123 -24.204 -11.518 1.00 0.00 H new ATOM 0 HG13 VAL A 12 0.258 -24.911 -10.134 1.00 0.00 H new ATOM 0 HG21 VAL A 12 1.625 -23.145 -8.005 1.00 0.00 H new ATOM 0 HG22 VAL A 12 1.410 -24.904 -7.834 1.00 0.00 H new ATOM 0 HG23 VAL A 12 3.034 -24.189 -7.701 1.00 0.00 H new ATOM 131 N LEU A 13 2.188 -26.446 -12.194 1.00 0.00 N ATOM 132 CA LEU A 13 2.280 -26.630 -13.638 1.00 0.00 C ATOM 133 C LEU A 13 2.932 -25.421 -14.301 1.00 0.00 C ATOM 134 O LEU A 13 2.299 -24.380 -14.473 1.00 0.00 O ATOM 135 CB LEU A 13 0.890 -26.865 -14.232 1.00 0.00 C ATOM 136 CG LEU A 13 0.836 -27.726 -15.495 1.00 0.00 C ATOM 137 CD1 LEU A 13 -0.601 -28.101 -15.824 1.00 0.00 C ATOM 138 CD2 LEU A 13 1.481 -26.998 -16.665 1.00 0.00 C ATOM 0 H LEU A 13 1.363 -26.867 -11.767 1.00 0.00 H new ATOM 0 HA LEU A 13 2.902 -27.505 -13.829 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.266 -27.333 -13.471 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.445 -25.896 -14.458 1.00 0.00 H new ATOM 0 HG LEU A 13 1.396 -28.643 -15.311 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.620 -28.713 -16.725 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.029 -28.663 -14.994 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.185 -27.195 -15.988 1.00 0.00 H new ATOM 0 HD21 LEU A 13 1.433 -27.626 -17.555 1.00 0.00 H new ATOM 0 HD22 LEU A 13 0.949 -26.065 -16.850 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.523 -26.781 -16.429 1.00 0.00 H new ATOM 150 N GLU A 14 4.200 -25.568 -14.673 1.00 0.00 N ATOM 151 CA GLU A 14 4.936 -24.488 -15.319 1.00 0.00 C ATOM 152 C GLU A 14 4.178 -23.963 -16.534 1.00 0.00 C ATOM 153 O GLU A 14 3.682 -24.738 -17.352 1.00 0.00 O ATOM 154 CB GLU A 14 6.326 -24.969 -15.740 1.00 0.00 C ATOM 155 CG GLU A 14 7.280 -25.171 -14.574 1.00 0.00 C ATOM 156 CD GLU A 14 7.770 -23.861 -13.988 1.00 0.00 C ATOM 157 OE1 GLU A 14 8.594 -23.190 -14.644 1.00 0.00 O ATOM 158 OE2 GLU A 14 7.331 -23.507 -12.874 1.00 0.00 O ATOM 0 H GLU A 14 4.738 -26.424 -14.538 1.00 0.00 H new ATOM 0 HA GLU A 14 5.043 -23.675 -14.600 1.00 0.00 H new ATOM 0 HB2 GLU A 14 6.227 -25.908 -16.284 1.00 0.00 H new ATOM 0 HB3 GLU A 14 6.758 -24.245 -16.431 1.00 0.00 H new ATOM 0 HG2 GLU A 14 6.780 -25.748 -13.796 1.00 0.00 H new ATOM 0 HG3 GLU A 14 8.136 -25.758 -14.907 1.00 0.00 H new ATOM 165 N MET A 15 4.091 -22.641 -16.645 1.00 0.00 N ATOM 166 CA MET A 15 3.393 -22.012 -17.761 1.00 0.00 C ATOM 167 C MET A 15 3.905 -20.594 -17.992 1.00 0.00 C ATOM 168 O MET A 15 4.164 -19.856 -17.041 1.00 0.00 O ATOM 169 CB MET A 15 1.886 -21.987 -17.498 1.00 0.00 C ATOM 170 CG MET A 15 1.161 -23.227 -17.997 1.00 0.00 C ATOM 171 SD MET A 15 -0.540 -22.886 -18.487 1.00 0.00 S ATOM 172 CE MET A 15 -0.959 -24.407 -19.336 1.00 0.00 C ATOM 0 H MET A 15 4.495 -21.985 -15.976 1.00 0.00 H new ATOM 0 HA MET A 15 3.588 -22.600 -18.658 1.00 0.00 H new ATOM 0 HB2 MET A 15 1.714 -21.882 -16.427 1.00 0.00 H new ATOM 0 HB3 MET A 15 1.456 -21.107 -17.977 1.00 0.00 H new ATOM 0 HG2 MET A 15 1.703 -23.643 -18.846 1.00 0.00 H new ATOM 0 HG3 MET A 15 1.164 -23.985 -17.214 1.00 0.00 H new ATOM 0 HE1 MET A 15 -1.985 -24.350 -19.699 1.00 0.00 H new ATOM 0 HE2 MET A 15 -0.283 -24.551 -20.179 1.00 0.00 H new ATOM 0 HE3 MET A 15 -0.864 -25.246 -18.647 1.00 0.00 H new ATOM 182 N ILE A 16 4.048 -20.221 -19.259 1.00 0.00 N ATOM 183 CA ILE A 16 4.528 -18.891 -19.613 1.00 0.00 C ATOM 184 C ILE A 16 3.367 -17.952 -19.923 1.00 0.00 C ATOM 185 O ILE A 16 3.022 -17.734 -21.085 1.00 0.00 O ATOM 186 CB ILE A 16 5.473 -18.938 -20.828 1.00 0.00 C ATOM 187 CG1 ILE A 16 6.675 -19.837 -20.531 1.00 0.00 C ATOM 188 CG2 ILE A 16 5.931 -17.536 -21.198 1.00 0.00 C ATOM 189 CD1 ILE A 16 7.306 -20.431 -21.771 1.00 0.00 C ATOM 0 H ILE A 16 3.838 -20.821 -20.057 1.00 0.00 H new ATOM 0 HA ILE A 16 5.077 -18.514 -18.750 1.00 0.00 H new ATOM 0 HB ILE A 16 4.931 -19.356 -21.676 1.00 0.00 H new ATOM 0 HG12 ILE A 16 7.426 -19.259 -19.992 1.00 0.00 H new ATOM 0 HG13 ILE A 16 6.360 -20.645 -19.871 1.00 0.00 H new ATOM 0 HG21 ILE A 16 6.598 -17.586 -22.058 1.00 0.00 H new ATOM 0 HG22 ILE A 16 5.064 -16.924 -21.446 1.00 0.00 H new ATOM 0 HG23 ILE A 16 6.459 -17.091 -20.355 1.00 0.00 H new ATOM 0 HD11 ILE A 16 8.152 -21.057 -21.485 1.00 0.00 H new ATOM 0 HD12 ILE A 16 6.570 -21.036 -22.300 1.00 0.00 H new ATOM 0 HD13 ILE A 16 7.652 -19.629 -22.423 1.00 0.00 H new ATOM 201 N LYS A 17 2.767 -17.396 -18.875 1.00 0.00 N ATOM 202 CA LYS A 17 1.646 -16.477 -19.034 1.00 0.00 C ATOM 203 C LYS A 17 2.138 -15.064 -19.330 1.00 0.00 C ATOM 204 O LYS A 17 2.961 -14.518 -18.596 1.00 0.00 O ATOM 205 CB LYS A 17 0.781 -16.473 -17.771 1.00 0.00 C ATOM 206 CG LYS A 17 -0.649 -16.022 -18.015 1.00 0.00 C ATOM 207 CD LYS A 17 -1.438 -17.063 -18.790 1.00 0.00 C ATOM 208 CE LYS A 17 -2.591 -16.433 -19.556 1.00 0.00 C ATOM 209 NZ LYS A 17 -3.257 -17.411 -20.459 1.00 0.00 N ATOM 0 H LYS A 17 3.039 -17.566 -17.907 1.00 0.00 H new ATOM 0 HA LYS A 17 1.046 -16.818 -19.878 1.00 0.00 H new ATOM 0 HB2 LYS A 17 0.769 -17.477 -17.346 1.00 0.00 H new ATOM 0 HB3 LYS A 17 1.238 -15.818 -17.030 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -1.139 -15.830 -17.060 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -0.646 -15.082 -18.567 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -0.776 -17.579 -19.486 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -1.825 -17.815 -18.102 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -3.321 -16.034 -18.851 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -2.221 -15.591 -20.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -4.037 -16.943 -20.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -2.567 -17.773 -21.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -3.633 -18.202 -19.898 1.00 0.00 H new ATOM 269 N THR A 21 0.948 -11.374 -15.934 1.00 0.00 N ATOM 270 CA THR A 21 2.231 -10.826 -15.513 1.00 0.00 C ATOM 271 C THR A 21 2.257 -9.310 -15.664 1.00 0.00 C ATOM 272 O THR A 21 1.602 -8.752 -16.544 1.00 0.00 O ATOM 273 CB THR A 21 3.393 -11.431 -16.323 1.00 0.00 C ATOM 274 OG1 THR A 21 3.287 -12.859 -16.339 1.00 0.00 O ATOM 275 CG2 THR A 21 4.734 -11.024 -15.731 1.00 0.00 C ATOM 0 HA THR A 21 2.356 -11.086 -14.462 1.00 0.00 H new ATOM 0 HB THR A 21 3.333 -11.051 -17.343 1.00 0.00 H new ATOM 0 HG1 THR A 21 3.163 -13.168 -17.261 1.00 0.00 H new ATOM 0 HG21 THR A 21 5.540 -11.463 -16.319 1.00 0.00 H new ATOM 0 HG22 THR A 21 4.824 -9.938 -15.746 1.00 0.00 H new ATOM 0 HG23 THR A 21 4.801 -11.379 -14.703 1.00 0.00 H new ATOM 283 N CYS A 22 3.019 -8.647 -14.799 1.00 0.00 N ATOM 284 CA CYS A 22 3.131 -7.194 -14.836 1.00 0.00 C ATOM 285 C CYS A 22 3.453 -6.709 -16.247 1.00 0.00 C ATOM 286 O CYS A 22 4.475 -7.064 -16.834 1.00 0.00 O ATOM 287 CB CYS A 22 4.212 -6.720 -13.863 1.00 0.00 C ATOM 288 SG CYS A 22 4.075 -4.965 -13.395 1.00 0.00 S ATOM 0 H CYS A 22 3.568 -9.094 -14.064 1.00 0.00 H new ATOM 0 HA CYS A 22 2.172 -6.773 -14.536 1.00 0.00 H new ATOM 0 HB2 CYS A 22 4.166 -7.330 -12.961 1.00 0.00 H new ATOM 0 HB3 CYS A 22 5.190 -6.889 -14.313 1.00 0.00 H new ATOM 0 HG CYS A 22 3.030 -4.797 -12.640 1.00 0.00 H new ATOM 293 N PRO A 23 2.561 -5.876 -16.804 1.00 0.00 N ATOM 294 CA PRO A 23 2.729 -5.324 -18.152 1.00 0.00 C ATOM 295 C PRO A 23 3.867 -4.311 -18.225 1.00 0.00 C ATOM 296 O PRO A 23 4.091 -3.691 -19.265 1.00 0.00 O ATOM 297 CB PRO A 23 1.386 -4.640 -18.424 1.00 0.00 C ATOM 298 CG PRO A 23 0.847 -4.313 -17.074 1.00 0.00 C ATOM 299 CD PRO A 23 1.321 -5.410 -16.162 1.00 0.00 C ATOM 0 HA PRO A 23 2.986 -6.094 -18.879 1.00 0.00 H new ATOM 0 HB2 PRO A 23 1.514 -3.741 -19.027 1.00 0.00 H new ATOM 0 HB3 PRO A 23 0.711 -5.297 -18.971 1.00 0.00 H new ATOM 0 HG2 PRO A 23 1.206 -3.341 -16.735 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -0.242 -4.262 -17.090 1.00 0.00 H new ATOM 0 HD2 PRO A 23 1.505 -5.042 -15.153 1.00 0.00 H new ATOM 0 HD3 PRO A 23 0.586 -6.210 -16.080 1.00 0.00 H new ATOM 307 N ILE A 24 4.582 -4.150 -17.117 1.00 0.00 N ATOM 308 CA ILE A 24 5.697 -3.213 -17.058 1.00 0.00 C ATOM 309 C ILE A 24 7.030 -3.950 -16.987 1.00 0.00 C ATOM 310 O ILE A 24 7.855 -3.854 -17.897 1.00 0.00 O ATOM 311 CB ILE A 24 5.579 -2.272 -15.845 1.00 0.00 C ATOM 312 CG1 ILE A 24 4.332 -1.394 -15.973 1.00 0.00 C ATOM 313 CG2 ILE A 24 6.827 -1.413 -15.717 1.00 0.00 C ATOM 314 CD1 ILE A 24 3.768 -0.948 -14.642 1.00 0.00 C ATOM 0 H ILE A 24 4.409 -4.656 -16.248 1.00 0.00 H new ATOM 0 HA ILE A 24 5.659 -2.620 -17.972 1.00 0.00 H new ATOM 0 HB ILE A 24 5.484 -2.876 -14.943 1.00 0.00 H new ATOM 0 HG12 ILE A 24 4.577 -0.514 -16.568 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.565 -1.944 -16.518 1.00 0.00 H new ATOM 0 HG21 ILE A 24 6.728 -0.753 -14.855 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.698 -2.055 -15.585 1.00 0.00 H new ATOM 0 HG23 ILE A 24 6.951 -0.814 -16.619 1.00 0.00 H new ATOM 0 HD11 ILE A 24 2.886 -0.330 -14.809 1.00 0.00 H new ATOM 0 HD12 ILE A 24 3.492 -1.822 -14.053 1.00 0.00 H new ATOM 0 HD13 ILE A 24 4.519 -0.370 -14.104 1.00 0.00 H new ATOM 326 N CYS A 25 7.235 -4.688 -15.901 1.00 0.00 N ATOM 327 CA CYS A 25 8.467 -5.444 -15.711 1.00 0.00 C ATOM 328 C CYS A 25 8.349 -6.839 -16.318 1.00 0.00 C ATOM 329 O CYS A 25 9.351 -7.456 -16.682 1.00 0.00 O ATOM 330 CB CYS A 25 8.800 -5.551 -14.221 1.00 0.00 C ATOM 331 SG CYS A 25 7.426 -6.166 -13.195 1.00 0.00 S ATOM 0 H CYS A 25 6.563 -4.778 -15.139 1.00 0.00 H new ATOM 0 HA CYS A 25 9.271 -4.913 -16.219 1.00 0.00 H new ATOM 0 HB2 CYS A 25 9.657 -6.214 -14.098 1.00 0.00 H new ATOM 0 HB3 CYS A 25 9.101 -4.569 -13.855 1.00 0.00 H new ATOM 0 HG CYS A 25 6.384 -5.407 -13.364 1.00 0.00 H new ATOM 336 N LEU A 26 7.119 -7.329 -16.425 1.00 0.00 N ATOM 337 CA LEU A 26 6.869 -8.651 -16.988 1.00 0.00 C ATOM 338 C LEU A 26 7.461 -9.742 -16.102 1.00 0.00 C ATOM 339 O LEU A 26 8.209 -10.598 -16.571 1.00 0.00 O ATOM 340 CB LEU A 26 7.459 -8.747 -18.397 1.00 0.00 C ATOM 341 CG LEU A 26 7.008 -7.674 -19.388 1.00 0.00 C ATOM 342 CD1 LEU A 26 7.986 -7.573 -20.548 1.00 0.00 C ATOM 343 CD2 LEU A 26 5.604 -7.973 -19.895 1.00 0.00 C ATOM 0 H LEU A 26 6.279 -6.831 -16.129 1.00 0.00 H new ATOM 0 HA LEU A 26 5.790 -8.797 -17.041 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.545 -8.706 -18.318 1.00 0.00 H new ATOM 0 HB3 LEU A 26 7.206 -9.724 -18.810 1.00 0.00 H new ATOM 0 HG LEU A 26 6.990 -6.714 -18.872 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.648 -6.804 -21.243 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.974 -7.311 -20.169 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.038 -8.531 -21.065 1.00 0.00 H new ATOM 0 HD21 LEU A 26 5.299 -7.199 -20.599 1.00 0.00 H new ATOM 0 HD22 LEU A 26 5.596 -8.942 -20.395 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.910 -7.993 -19.055 1.00 0.00 H new ATOM 355 N GLU A 27 7.118 -9.705 -14.818 1.00 0.00 N ATOM 356 CA GLU A 27 7.615 -10.692 -13.866 1.00 0.00 C ATOM 357 C GLU A 27 6.612 -10.912 -12.737 1.00 0.00 C ATOM 358 O GLU A 27 5.745 -10.073 -12.489 1.00 0.00 O ATOM 359 CB GLU A 27 8.959 -10.245 -13.289 1.00 0.00 C ATOM 360 CG GLU A 27 8.830 -9.337 -12.077 1.00 0.00 C ATOM 361 CD GLU A 27 10.171 -8.838 -11.576 1.00 0.00 C ATOM 362 OE1 GLU A 27 10.963 -9.664 -11.076 1.00 0.00 O ATOM 363 OE2 GLU A 27 10.428 -7.621 -11.684 1.00 0.00 O ATOM 0 H GLU A 27 6.499 -9.003 -14.413 1.00 0.00 H new ATOM 0 HA GLU A 27 7.751 -11.634 -14.397 1.00 0.00 H new ATOM 0 HB2 GLU A 27 9.537 -11.127 -13.012 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.522 -9.725 -14.064 1.00 0.00 H new ATOM 0 HG2 GLU A 27 8.202 -8.484 -12.332 1.00 0.00 H new ATOM 0 HG3 GLU A 27 8.325 -9.877 -11.276 1.00 0.00 H new ATOM 370 N LEU A 28 6.736 -12.046 -12.057 1.00 0.00 N ATOM 371 CA LEU A 28 5.841 -12.379 -10.954 1.00 0.00 C ATOM 372 C LEU A 28 5.422 -11.124 -10.195 1.00 0.00 C ATOM 373 O LEU A 28 6.261 -10.410 -9.643 1.00 0.00 O ATOM 374 CB LEU A 28 6.519 -13.363 -9.999 1.00 0.00 C ATOM 375 CG LEU A 28 6.325 -14.846 -10.315 1.00 0.00 C ATOM 376 CD1 LEU A 28 4.862 -15.236 -10.167 1.00 0.00 C ATOM 377 CD2 LEU A 28 6.824 -15.163 -11.717 1.00 0.00 C ATOM 0 H LEU A 28 7.448 -12.751 -12.250 1.00 0.00 H new ATOM 0 HA LEU A 28 4.948 -12.844 -11.372 1.00 0.00 H new ATOM 0 HB2 LEU A 28 7.588 -13.151 -9.989 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.148 -13.175 -8.992 1.00 0.00 H new ATOM 0 HG LEU A 28 6.909 -15.429 -9.603 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.743 -16.295 -10.396 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.537 -15.047 -9.144 1.00 0.00 H new ATOM 0 HD13 LEU A 28 4.257 -14.646 -10.855 1.00 0.00 H new ATOM 0 HD21 LEU A 28 6.678 -16.223 -11.924 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.268 -14.571 -12.444 1.00 0.00 H new ATOM 0 HD23 LEU A 28 7.885 -14.922 -11.789 1.00 0.00 H new ATOM 389 N LEU A 29 4.120 -10.861 -10.170 1.00 0.00 N ATOM 390 CA LEU A 29 3.589 -9.692 -9.476 1.00 0.00 C ATOM 391 C LEU A 29 3.732 -9.844 -7.965 1.00 0.00 C ATOM 392 O LEU A 29 3.241 -10.809 -7.378 1.00 0.00 O ATOM 393 CB LEU A 29 2.119 -9.483 -9.843 1.00 0.00 C ATOM 394 CG LEU A 29 1.830 -9.177 -11.313 1.00 0.00 C ATOM 395 CD1 LEU A 29 0.458 -9.701 -11.708 1.00 0.00 C ATOM 396 CD2 LEU A 29 1.928 -7.682 -11.577 1.00 0.00 C ATOM 0 H LEU A 29 3.413 -11.441 -10.622 1.00 0.00 H new ATOM 0 HA LEU A 29 4.163 -8.820 -9.790 1.00 0.00 H new ATOM 0 HB2 LEU A 29 1.565 -10.379 -9.564 1.00 0.00 H new ATOM 0 HB3 LEU A 29 1.727 -8.665 -9.239 1.00 0.00 H new ATOM 0 HG LEU A 29 2.579 -9.683 -11.923 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.270 -9.474 -12.757 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.424 -10.780 -11.558 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.305 -9.225 -11.092 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.719 -7.484 -12.628 1.00 0.00 H new ATOM 0 HD22 LEU A 29 1.203 -7.155 -10.957 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.932 -7.335 -11.335 1.00 0.00 H new ATOM 408 N LYS A 30 4.405 -8.884 -7.341 1.00 0.00 N ATOM 409 CA LYS A 30 4.610 -8.908 -5.897 1.00 0.00 C ATOM 410 C LYS A 30 3.667 -7.934 -5.198 1.00 0.00 C ATOM 411 O LYS A 30 3.695 -6.732 -5.461 1.00 0.00 O ATOM 412 CB LYS A 30 6.061 -8.559 -5.562 1.00 0.00 C ATOM 413 CG LYS A 30 7.077 -9.458 -6.245 1.00 0.00 C ATOM 414 CD LYS A 30 7.042 -10.869 -5.680 1.00 0.00 C ATOM 415 CE LYS A 30 8.328 -11.622 -5.983 1.00 0.00 C ATOM 416 NZ LYS A 30 8.512 -12.790 -5.077 1.00 0.00 N ATOM 0 H LYS A 30 4.818 -8.079 -7.812 1.00 0.00 H new ATOM 0 HA LYS A 30 4.393 -9.915 -5.541 1.00 0.00 H new ATOM 0 HB2 LYS A 30 6.253 -7.525 -5.849 1.00 0.00 H new ATOM 0 HB3 LYS A 30 6.201 -8.621 -4.483 1.00 0.00 H new ATOM 0 HG2 LYS A 30 6.875 -9.489 -7.316 1.00 0.00 H new ATOM 0 HG3 LYS A 30 8.076 -9.040 -6.121 1.00 0.00 H new ATOM 0 HD2 LYS A 30 6.889 -10.827 -4.602 1.00 0.00 H new ATOM 0 HD3 LYS A 30 6.194 -11.410 -6.101 1.00 0.00 H new ATOM 0 HE2 LYS A 30 8.314 -11.964 -7.018 1.00 0.00 H new ATOM 0 HE3 LYS A 30 9.177 -10.946 -5.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 9.399 -13.277 -5.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 8.551 -12.462 -4.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 7.714 -13.447 -5.192 1.00 0.00 H new ATOM 430 N GLU A 31 2.834 -8.461 -4.305 1.00 0.00 N ATOM 431 CA GLU A 31 1.884 -7.636 -3.568 1.00 0.00 C ATOM 432 C GLU A 31 1.293 -6.553 -4.466 1.00 0.00 C ATOM 433 O GLU A 31 1.302 -5.366 -4.138 1.00 0.00 O ATOM 434 CB GLU A 31 2.564 -6.995 -2.356 1.00 0.00 C ATOM 435 CG GLU A 31 3.060 -8.002 -1.333 1.00 0.00 C ATOM 436 CD GLU A 31 3.092 -7.438 0.074 1.00 0.00 C ATOM 437 OE1 GLU A 31 4.087 -6.768 0.421 1.00 0.00 O ATOM 438 OE2 GLU A 31 2.122 -7.666 0.827 1.00 0.00 O ATOM 0 H GLU A 31 2.798 -9.454 -4.075 1.00 0.00 H new ATOM 0 HA GLU A 31 1.074 -8.279 -3.223 1.00 0.00 H new ATOM 0 HB2 GLU A 31 3.406 -6.393 -2.699 1.00 0.00 H new ATOM 0 HB3 GLU A 31 1.862 -6.315 -1.873 1.00 0.00 H new ATOM 0 HG2 GLU A 31 2.416 -8.881 -1.353 1.00 0.00 H new ATOM 0 HG3 GLU A 31 4.061 -8.333 -1.610 1.00 0.00 H new ATOM 445 N PRO A 32 0.766 -6.970 -5.627 1.00 0.00 N ATOM 446 CA PRO A 32 0.161 -6.052 -6.596 1.00 0.00 C ATOM 447 C PRO A 32 -1.156 -5.466 -6.096 1.00 0.00 C ATOM 448 O PRO A 32 -1.820 -6.049 -5.239 1.00 0.00 O ATOM 449 CB PRO A 32 -0.079 -6.937 -7.821 1.00 0.00 C ATOM 450 CG PRO A 32 -0.195 -8.318 -7.274 1.00 0.00 C ATOM 451 CD PRO A 32 0.721 -8.369 -6.082 1.00 0.00 C ATOM 0 HA PRO A 32 0.799 -5.190 -6.794 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -0.986 -6.643 -8.350 1.00 0.00 H new ATOM 0 HB3 PRO A 32 0.744 -6.861 -8.532 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -1.223 -8.539 -6.986 1.00 0.00 H new ATOM 0 HG3 PRO A 32 0.093 -9.059 -8.020 1.00 0.00 H new ATOM 0 HD2 PRO A 32 0.336 -9.031 -5.307 1.00 0.00 H new ATOM 0 HD3 PRO A 32 1.711 -8.736 -6.352 1.00 0.00 H new ATOM 459 N VAL A 33 -1.528 -4.311 -6.637 1.00 0.00 N ATOM 460 CA VAL A 33 -2.766 -3.647 -6.247 1.00 0.00 C ATOM 461 C VAL A 33 -3.669 -3.415 -7.454 1.00 0.00 C ATOM 462 O VAL A 33 -3.237 -2.870 -8.469 1.00 0.00 O ATOM 463 CB VAL A 33 -2.487 -2.297 -5.561 1.00 0.00 C ATOM 464 CG1 VAL A 33 -1.757 -2.507 -4.244 1.00 0.00 C ATOM 465 CG2 VAL A 33 -1.690 -1.386 -6.483 1.00 0.00 C ATOM 0 H VAL A 33 -0.989 -3.815 -7.347 1.00 0.00 H new ATOM 0 HA VAL A 33 -3.270 -4.307 -5.541 1.00 0.00 H new ATOM 0 HB VAL A 33 -3.441 -1.815 -5.346 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.569 -1.542 -3.774 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -2.369 -3.119 -3.582 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.809 -3.011 -4.430 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.502 -0.436 -5.982 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.740 -1.860 -6.731 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.256 -1.208 -7.397 1.00 0.00 H new ATOM 475 N SER A 34 -4.925 -3.833 -7.335 1.00 0.00 N ATOM 476 CA SER A 34 -5.889 -3.674 -8.417 1.00 0.00 C ATOM 477 C SER A 34 -6.307 -2.214 -8.562 1.00 0.00 C ATOM 478 O SER A 34 -6.179 -1.425 -7.627 1.00 0.00 O ATOM 479 CB SER A 34 -7.120 -4.546 -8.164 1.00 0.00 C ATOM 480 OG SER A 34 -7.766 -4.179 -6.957 1.00 0.00 O ATOM 0 H SER A 34 -5.299 -4.284 -6.500 1.00 0.00 H new ATOM 0 HA SER A 34 -5.412 -3.991 -9.345 1.00 0.00 H new ATOM 0 HB2 SER A 34 -7.816 -4.448 -8.997 1.00 0.00 H new ATOM 0 HB3 SER A 34 -6.824 -5.594 -8.118 1.00 0.00 H new ATOM 0 HG SER A 34 -8.550 -4.750 -6.819 1.00 0.00 H new ATOM 486 N ALA A 35 -6.808 -1.863 -9.742 1.00 0.00 N ATOM 487 CA ALA A 35 -7.247 -0.499 -10.010 1.00 0.00 C ATOM 488 C ALA A 35 -8.631 -0.484 -10.650 1.00 0.00 C ATOM 489 O ALA A 35 -9.192 -1.534 -10.963 1.00 0.00 O ATOM 490 CB ALA A 35 -6.242 0.212 -10.904 1.00 0.00 C ATOM 0 H ALA A 35 -6.920 -2.504 -10.527 1.00 0.00 H new ATOM 0 HA ALA A 35 -7.309 0.030 -9.059 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -6.582 1.230 -11.096 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -5.271 0.241 -10.409 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -6.151 -0.325 -11.848 1.00 0.00 H new ATOM 496 N ASP A 36 -9.176 0.712 -10.841 1.00 0.00 N ATOM 497 CA ASP A 36 -10.495 0.864 -11.444 1.00 0.00 C ATOM 498 C ASP A 36 -10.561 0.155 -12.793 1.00 0.00 C ATOM 499 O ASP A 36 -11.582 -0.435 -13.147 1.00 0.00 O ATOM 500 CB ASP A 36 -10.833 2.346 -11.616 1.00 0.00 C ATOM 501 CG ASP A 36 -11.917 2.576 -12.651 1.00 0.00 C ATOM 502 OD1 ASP A 36 -13.101 2.342 -12.332 1.00 0.00 O ATOM 503 OD2 ASP A 36 -11.580 2.990 -13.780 1.00 0.00 O ATOM 0 H ASP A 36 -8.725 1.591 -10.587 1.00 0.00 H new ATOM 0 HA ASP A 36 -11.227 0.407 -10.778 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -11.156 2.756 -10.659 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -9.934 2.889 -11.908 1.00 0.00 H new ATOM 508 N CYS A 37 -9.465 0.218 -13.543 1.00 0.00 N ATOM 509 CA CYS A 37 -9.398 -0.417 -14.854 1.00 0.00 C ATOM 510 C CYS A 37 -9.037 -1.894 -14.725 1.00 0.00 C ATOM 511 O CYS A 37 -8.317 -2.442 -15.558 1.00 0.00 O ATOM 512 CB CYS A 37 -8.371 0.296 -15.736 1.00 0.00 C ATOM 513 SG CYS A 37 -6.703 0.388 -15.008 1.00 0.00 S ATOM 0 H CYS A 37 -8.611 0.702 -13.265 1.00 0.00 H new ATOM 0 HA CYS A 37 -10.381 -0.341 -15.318 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -8.310 -0.220 -16.694 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -8.723 1.307 -15.941 1.00 0.00 H new ATOM 0 HG CYS A 37 -5.876 -0.309 -15.729 1.00 0.00 H new ATOM 518 N ASN A 38 -9.544 -2.532 -13.675 1.00 0.00 N ATOM 519 CA ASN A 38 -9.276 -3.945 -13.437 1.00 0.00 C ATOM 520 C ASN A 38 -7.849 -4.304 -13.841 1.00 0.00 C ATOM 521 O ASN A 38 -7.618 -5.300 -14.528 1.00 0.00 O ATOM 522 CB ASN A 38 -10.270 -4.812 -14.212 1.00 0.00 C ATOM 523 CG ASN A 38 -11.666 -4.761 -13.620 1.00 0.00 C ATOM 524 OD1 ASN A 38 -12.531 -4.032 -14.104 1.00 0.00 O ATOM 525 ND2 ASN A 38 -11.890 -5.537 -12.566 1.00 0.00 N ATOM 0 H ASN A 38 -10.143 -2.093 -12.976 1.00 0.00 H new ATOM 0 HA ASN A 38 -9.392 -4.136 -12.370 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -10.306 -4.480 -15.250 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -9.919 -5.844 -14.220 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -12.809 -5.544 -12.124 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -11.143 -6.126 -12.198 1.00 0.00 H new ATOM 532 N HIS A 39 -6.894 -3.485 -13.411 1.00 0.00 N ATOM 533 CA HIS A 39 -5.489 -3.716 -13.727 1.00 0.00 C ATOM 534 C HIS A 39 -4.628 -3.627 -12.470 1.00 0.00 C ATOM 535 O HIS A 39 -4.692 -2.645 -11.731 1.00 0.00 O ATOM 536 CB HIS A 39 -5.005 -2.703 -14.764 1.00 0.00 C ATOM 537 CG HIS A 39 -5.572 -2.928 -16.132 1.00 0.00 C ATOM 538 ND1 HIS A 39 -5.615 -1.947 -17.100 1.00 0.00 N ATOM 539 CD2 HIS A 39 -6.120 -4.032 -16.692 1.00 0.00 C ATOM 540 CE1 HIS A 39 -6.166 -2.437 -18.196 1.00 0.00 C ATOM 541 NE2 HIS A 39 -6.482 -3.700 -17.975 1.00 0.00 N ATOM 0 H HIS A 39 -7.068 -2.656 -12.843 1.00 0.00 H new ATOM 0 HA HIS A 39 -5.395 -4.720 -14.140 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -5.270 -1.700 -14.431 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -3.917 -2.744 -14.819 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -6.249 -4.994 -16.219 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -6.330 -1.896 -19.116 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -6.923 -4.327 -18.648 1.00 0.00 H new ATOM 549 N SER A 40 -3.824 -4.659 -12.235 1.00 0.00 N ATOM 550 CA SER A 40 -2.954 -4.699 -11.066 1.00 0.00 C ATOM 551 C SER A 40 -1.487 -4.626 -11.478 1.00 0.00 C ATOM 552 O SER A 40 -1.111 -5.075 -12.561 1.00 0.00 O ATOM 553 CB SER A 40 -3.206 -5.975 -10.259 1.00 0.00 C ATOM 554 OG SER A 40 -4.594 -6.200 -10.083 1.00 0.00 O ATOM 0 H SER A 40 -3.757 -5.478 -12.839 1.00 0.00 H new ATOM 0 HA SER A 40 -3.183 -3.833 -10.444 1.00 0.00 H new ATOM 0 HB2 SER A 40 -2.758 -6.827 -10.770 1.00 0.00 H new ATOM 0 HB3 SER A 40 -2.721 -5.896 -9.286 1.00 0.00 H new ATOM 0 HG SER A 40 -4.729 -7.022 -9.566 1.00 0.00 H new ATOM 560 N PHE A 41 -0.661 -4.057 -10.606 1.00 0.00 N ATOM 561 CA PHE A 41 0.765 -3.924 -10.878 1.00 0.00 C ATOM 562 C PHE A 41 1.576 -4.018 -9.589 1.00 0.00 C ATOM 563 O PHE A 41 1.061 -3.771 -8.498 1.00 0.00 O ATOM 564 CB PHE A 41 1.050 -2.593 -11.577 1.00 0.00 C ATOM 565 CG PHE A 41 -0.027 -2.178 -12.538 1.00 0.00 C ATOM 566 CD1 PHE A 41 -1.122 -1.451 -12.100 1.00 0.00 C ATOM 567 CD2 PHE A 41 0.056 -2.515 -13.879 1.00 0.00 C ATOM 568 CE1 PHE A 41 -2.114 -1.067 -12.982 1.00 0.00 C ATOM 569 CE2 PHE A 41 -0.933 -2.134 -14.766 1.00 0.00 C ATOM 570 CZ PHE A 41 -2.020 -1.410 -14.317 1.00 0.00 C ATOM 0 H PHE A 41 -0.955 -3.681 -9.705 1.00 0.00 H new ATOM 0 HA PHE A 41 1.062 -4.742 -11.534 1.00 0.00 H new ATOM 0 HB2 PHE A 41 1.173 -1.815 -10.823 1.00 0.00 H new ATOM 0 HB3 PHE A 41 1.995 -2.669 -12.114 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -1.201 -1.181 -11.057 1.00 0.00 H new ATOM 0 HD2 PHE A 41 0.903 -3.082 -14.235 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -2.962 -0.499 -12.628 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -0.856 -2.402 -15.809 1.00 0.00 H new ATOM 0 HZ PHE A 41 -2.795 -1.113 -15.008 1.00 0.00 H new ATOM 580 N CYS A 42 2.848 -4.378 -9.722 1.00 0.00 N ATOM 581 CA CYS A 42 3.732 -4.507 -8.570 1.00 0.00 C ATOM 582 C CYS A 42 3.623 -3.285 -7.662 1.00 0.00 C ATOM 583 O CYS A 42 3.781 -2.150 -8.110 1.00 0.00 O ATOM 584 CB CYS A 42 5.180 -4.688 -9.029 1.00 0.00 C ATOM 585 SG CYS A 42 5.410 -6.010 -10.260 1.00 0.00 S ATOM 0 H CYS A 42 3.290 -4.586 -10.617 1.00 0.00 H new ATOM 0 HA CYS A 42 3.425 -5.387 -8.005 1.00 0.00 H new ATOM 0 HB2 CYS A 42 5.537 -3.748 -9.450 1.00 0.00 H new ATOM 0 HB3 CYS A 42 5.801 -4.904 -8.160 1.00 0.00 H new ATOM 0 HG CYS A 42 4.940 -5.621 -11.408 1.00 0.00 H new ATOM 590 N ARG A 43 3.352 -3.528 -6.383 1.00 0.00 N ATOM 591 CA ARG A 43 3.221 -2.448 -5.412 1.00 0.00 C ATOM 592 C ARG A 43 4.188 -1.311 -5.730 1.00 0.00 C ATOM 593 O ARG A 43 3.835 -0.136 -5.627 1.00 0.00 O ATOM 594 CB ARG A 43 3.480 -2.971 -3.998 1.00 0.00 C ATOM 595 CG ARG A 43 3.266 -1.928 -2.914 1.00 0.00 C ATOM 596 CD ARG A 43 1.790 -1.750 -2.595 1.00 0.00 C ATOM 597 NE ARG A 43 1.561 -0.660 -1.650 1.00 0.00 N ATOM 598 CZ ARG A 43 1.453 0.614 -2.010 1.00 0.00 C ATOM 599 NH1 ARG A 43 1.552 0.957 -3.287 1.00 0.00 N ATOM 600 NH2 ARG A 43 1.245 1.549 -1.091 1.00 0.00 N ATOM 0 H ARG A 43 3.219 -4.462 -5.996 1.00 0.00 H new ATOM 0 HA ARG A 43 2.203 -2.063 -5.469 1.00 0.00 H new ATOM 0 HB2 ARG A 43 2.823 -3.820 -3.808 1.00 0.00 H new ATOM 0 HB3 ARG A 43 4.504 -3.340 -3.938 1.00 0.00 H new ATOM 0 HG2 ARG A 43 3.801 -2.224 -2.012 1.00 0.00 H new ATOM 0 HG3 ARG A 43 3.687 -0.976 -3.236 1.00 0.00 H new ATOM 0 HD2 ARG A 43 1.242 -1.552 -3.516 1.00 0.00 H new ATOM 0 HD3 ARG A 43 1.394 -2.678 -2.181 1.00 0.00 H new ATOM 0 HE ARG A 43 1.480 -0.890 -0.660 1.00 0.00 H new ATOM 0 HH11 ARG A 43 1.712 0.242 -3.996 1.00 0.00 H new ATOM 0 HH12 ARG A 43 1.469 1.936 -3.560 1.00 0.00 H new ATOM 0 HH21 ARG A 43 1.168 1.289 -0.108 1.00 0.00 H new ATOM 0 HH22 ARG A 43 1.162 2.527 -1.368 1.00 0.00 H new ATOM 614 N ALA A 44 5.408 -1.668 -6.116 1.00 0.00 N ATOM 615 CA ALA A 44 6.424 -0.679 -6.451 1.00 0.00 C ATOM 616 C ALA A 44 6.153 -0.052 -7.814 1.00 0.00 C ATOM 617 O ALA A 44 5.996 1.164 -7.930 1.00 0.00 O ATOM 618 CB ALA A 44 7.807 -1.312 -6.424 1.00 0.00 C ATOM 0 H ALA A 44 5.717 -2.636 -6.204 1.00 0.00 H new ATOM 0 HA ALA A 44 6.385 0.113 -5.703 1.00 0.00 H new ATOM 0 HB1 ALA A 44 8.556 -0.561 -6.676 1.00 0.00 H new ATOM 0 HB2 ALA A 44 8.008 -1.704 -5.427 1.00 0.00 H new ATOM 0 HB3 ALA A 44 7.849 -2.125 -7.149 1.00 0.00 H new ATOM 624 N CYS A 45 6.100 -0.890 -8.845 1.00 0.00 N ATOM 625 CA CYS A 45 5.849 -0.419 -10.201 1.00 0.00 C ATOM 626 C CYS A 45 4.783 0.674 -10.209 1.00 0.00 C ATOM 627 O CYS A 45 5.051 1.813 -10.591 1.00 0.00 O ATOM 628 CB CYS A 45 5.410 -1.581 -11.094 1.00 0.00 C ATOM 629 SG CYS A 45 6.762 -2.706 -11.568 1.00 0.00 S ATOM 0 H CYS A 45 6.228 -1.899 -8.766 1.00 0.00 H new ATOM 0 HA CYS A 45 6.777 -0.000 -10.591 1.00 0.00 H new ATOM 0 HB2 CYS A 45 4.641 -2.153 -10.576 1.00 0.00 H new ATOM 0 HB3 CYS A 45 4.953 -1.178 -11.998 1.00 0.00 H new ATOM 0 HG CYS A 45 6.418 -3.932 -11.306 1.00 0.00 H new ATOM 634 N ILE A 46 3.575 0.317 -9.786 1.00 0.00 N ATOM 635 CA ILE A 46 2.470 1.267 -9.744 1.00 0.00 C ATOM 636 C ILE A 46 2.900 2.581 -9.101 1.00 0.00 C ATOM 637 O ILE A 46 2.372 3.646 -9.424 1.00 0.00 O ATOM 638 CB ILE A 46 1.268 0.697 -8.968 1.00 0.00 C ATOM 639 CG1 ILE A 46 0.069 1.641 -9.078 1.00 0.00 C ATOM 640 CG2 ILE A 46 1.639 0.470 -7.509 1.00 0.00 C ATOM 641 CD1 ILE A 46 -0.687 1.507 -10.381 1.00 0.00 C ATOM 0 H ILE A 46 3.337 -0.622 -9.468 1.00 0.00 H new ATOM 0 HA ILE A 46 2.171 1.451 -10.776 1.00 0.00 H new ATOM 0 HB ILE A 46 0.993 -0.262 -9.406 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.613 1.447 -8.250 1.00 0.00 H new ATOM 0 HG13 ILE A 46 0.415 2.669 -8.972 1.00 0.00 H new ATOM 0 HG21 ILE A 46 0.779 0.067 -6.973 1.00 0.00 H new ATOM 0 HG22 ILE A 46 2.467 -0.236 -7.450 1.00 0.00 H new ATOM 0 HG23 ILE A 46 1.936 1.417 -7.058 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -1.524 2.206 -10.390 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -0.020 1.730 -11.213 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.064 0.489 -10.480 1.00 0.00 H new ATOM 653 N THR A 47 3.863 2.500 -8.188 1.00 0.00 N ATOM 654 CA THR A 47 4.365 3.683 -7.500 1.00 0.00 C ATOM 655 C THR A 47 5.352 4.450 -8.372 1.00 0.00 C ATOM 656 O THR A 47 5.173 5.641 -8.630 1.00 0.00 O ATOM 657 CB THR A 47 5.052 3.311 -6.172 1.00 0.00 C ATOM 658 OG1 THR A 47 4.166 2.528 -5.365 1.00 0.00 O ATOM 659 CG2 THR A 47 5.469 4.560 -5.410 1.00 0.00 C ATOM 0 H THR A 47 4.311 1.627 -7.908 1.00 0.00 H new ATOM 0 HA THR A 47 3.503 4.316 -7.290 1.00 0.00 H new ATOM 0 HB THR A 47 5.945 2.729 -6.401 1.00 0.00 H new ATOM 0 HG1 THR A 47 4.225 1.587 -5.633 1.00 0.00 H new ATOM 0 HG21 THR A 47 5.952 4.272 -4.476 1.00 0.00 H new ATOM 0 HG22 THR A 47 6.166 5.140 -6.015 1.00 0.00 H new ATOM 0 HG23 THR A 47 4.588 5.164 -5.192 1.00 0.00 H new ATOM 667 N LEU A 48 6.393 3.761 -8.825 1.00 0.00 N ATOM 668 CA LEU A 48 7.410 4.377 -9.670 1.00 0.00 C ATOM 669 C LEU A 48 6.803 4.869 -10.980 1.00 0.00 C ATOM 670 O LEU A 48 6.905 6.047 -11.319 1.00 0.00 O ATOM 671 CB LEU A 48 8.535 3.381 -9.958 1.00 0.00 C ATOM 672 CG LEU A 48 9.497 3.763 -11.083 1.00 0.00 C ATOM 673 CD1 LEU A 48 10.514 4.782 -10.592 1.00 0.00 C ATOM 674 CD2 LEU A 48 10.198 2.527 -11.627 1.00 0.00 C ATOM 0 H LEU A 48 6.555 2.775 -8.621 1.00 0.00 H new ATOM 0 HA LEU A 48 7.821 5.234 -9.136 1.00 0.00 H new ATOM 0 HB2 LEU A 48 9.113 3.242 -9.044 1.00 0.00 H new ATOM 0 HB3 LEU A 48 8.087 2.418 -10.201 1.00 0.00 H new ATOM 0 HG LEU A 48 8.921 4.215 -11.891 1.00 0.00 H new ATOM 0 HD11 LEU A 48 11.191 5.042 -11.406 1.00 0.00 H new ATOM 0 HD12 LEU A 48 9.996 5.678 -10.251 1.00 0.00 H new ATOM 0 HD13 LEU A 48 11.086 4.357 -9.767 1.00 0.00 H new ATOM 0 HD21 LEU A 48 10.879 2.817 -12.427 1.00 0.00 H new ATOM 0 HD22 LEU A 48 10.762 2.047 -10.827 1.00 0.00 H new ATOM 0 HD23 LEU A 48 9.456 1.830 -12.017 1.00 0.00 H new ATOM 686 N ASN A 49 6.170 3.958 -11.712 1.00 0.00 N ATOM 687 CA ASN A 49 5.545 4.299 -12.985 1.00 0.00 C ATOM 688 C ASN A 49 4.798 5.626 -12.885 1.00 0.00 C ATOM 689 O ASN A 49 4.903 6.477 -13.769 1.00 0.00 O ATOM 690 CB ASN A 49 4.582 3.192 -13.418 1.00 0.00 C ATOM 691 CG ASN A 49 4.161 3.326 -14.868 1.00 0.00 C ATOM 692 OD1 ASN A 49 3.534 4.312 -15.256 1.00 0.00 O ATOM 693 ND2 ASN A 49 4.505 2.331 -15.679 1.00 0.00 N ATOM 0 H ASN A 49 6.076 2.978 -11.445 1.00 0.00 H new ATOM 0 HA ASN A 49 6.332 4.399 -13.732 1.00 0.00 H new ATOM 0 HB2 ASN A 49 5.057 2.222 -13.269 1.00 0.00 H new ATOM 0 HB3 ASN A 49 3.697 3.215 -12.782 1.00 0.00 H new ATOM 0 HD21 ASN A 49 4.249 2.366 -16.666 1.00 0.00 H new ATOM 0 HD22 ASN A 49 5.025 1.533 -15.315 1.00 0.00 H new ATOM 700 N TYR A 50 4.045 5.796 -11.804 1.00 0.00 N ATOM 701 CA TYR A 50 3.280 7.018 -11.590 1.00 0.00 C ATOM 702 C TYR A 50 4.206 8.220 -11.429 1.00 0.00 C ATOM 703 O TYR A 50 4.151 9.168 -12.211 1.00 0.00 O ATOM 704 CB TYR A 50 2.390 6.877 -10.354 1.00 0.00 C ATOM 705 CG TYR A 50 2.113 8.188 -9.654 1.00 0.00 C ATOM 706 CD1 TYR A 50 1.421 9.208 -10.294 1.00 0.00 C ATOM 707 CD2 TYR A 50 2.544 8.407 -8.351 1.00 0.00 C ATOM 708 CE1 TYR A 50 1.167 10.408 -9.659 1.00 0.00 C ATOM 709 CE2 TYR A 50 2.293 9.603 -7.707 1.00 0.00 C ATOM 710 CZ TYR A 50 1.605 10.600 -8.365 1.00 0.00 C ATOM 711 OH TYR A 50 1.352 11.794 -7.728 1.00 0.00 O ATOM 0 H TYR A 50 3.948 5.103 -11.062 1.00 0.00 H new ATOM 0 HA TYR A 50 2.652 7.181 -12.466 1.00 0.00 H new ATOM 0 HB2 TYR A 50 1.443 6.425 -10.648 1.00 0.00 H new ATOM 0 HB3 TYR A 50 2.865 6.193 -9.651 1.00 0.00 H new ATOM 0 HD1 TYR A 50 1.075 9.060 -11.306 1.00 0.00 H new ATOM 0 HD2 TYR A 50 3.085 7.629 -7.833 1.00 0.00 H new ATOM 0 HE1 TYR A 50 0.629 11.191 -10.172 1.00 0.00 H new ATOM 0 HE2 TYR A 50 2.634 9.756 -6.694 1.00 0.00 H new ATOM 0 HH TYR A 50 1.726 11.767 -6.822 1.00 0.00 H new ATOM 721 N GLU A 51 5.056 8.171 -10.408 1.00 0.00 N ATOM 722 CA GLU A 51 5.995 9.255 -10.143 1.00 0.00 C ATOM 723 C GLU A 51 6.670 9.717 -11.432 1.00 0.00 C ATOM 724 O GLU A 51 6.810 10.915 -11.676 1.00 0.00 O ATOM 725 CB GLU A 51 7.052 8.808 -9.132 1.00 0.00 C ATOM 726 CG GLU A 51 6.471 8.347 -7.806 1.00 0.00 C ATOM 727 CD GLU A 51 6.193 9.499 -6.859 1.00 0.00 C ATOM 728 OE1 GLU A 51 5.728 10.557 -7.333 1.00 0.00 O ATOM 729 OE2 GLU A 51 6.440 9.342 -5.645 1.00 0.00 O ATOM 0 H GLU A 51 5.114 7.393 -9.751 1.00 0.00 H new ATOM 0 HA GLU A 51 5.436 10.092 -9.726 1.00 0.00 H new ATOM 0 HB2 GLU A 51 7.636 7.996 -9.565 1.00 0.00 H new ATOM 0 HB3 GLU A 51 7.740 9.633 -8.950 1.00 0.00 H new ATOM 0 HG2 GLU A 51 5.546 7.801 -7.989 1.00 0.00 H new ATOM 0 HG3 GLU A 51 7.164 7.651 -7.332 1.00 0.00 H new ATOM 861 N ASN A 61 -1.456 7.944 -15.333 1.00 0.00 N ATOM 862 CA ASN A 61 -1.969 7.210 -16.484 1.00 0.00 C ATOM 863 C ASN A 61 -1.539 5.747 -16.432 1.00 0.00 C ATOM 864 O ASN A 61 -0.417 5.432 -16.035 1.00 0.00 O ATOM 865 CB ASN A 61 -1.479 7.852 -17.783 1.00 0.00 C ATOM 866 CG ASN A 61 -0.062 8.378 -17.670 1.00 0.00 C ATOM 867 OD1 ASN A 61 0.903 7.645 -17.889 1.00 0.00 O ATOM 868 ND2 ASN A 61 0.070 9.654 -17.326 1.00 0.00 N ATOM 0 HA ASN A 61 -3.058 7.251 -16.454 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -1.528 7.119 -18.588 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -2.146 8.670 -18.055 1.00 0.00 H new ATOM 0 HD21 ASN A 61 0.999 10.064 -17.234 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -0.758 10.224 -17.154 1.00 0.00 H new ATOM 875 N CYS A 62 -2.438 4.857 -16.837 1.00 0.00 N ATOM 876 CA CYS A 62 -2.153 3.427 -16.837 1.00 0.00 C ATOM 877 C CYS A 62 -1.308 3.041 -18.048 1.00 0.00 C ATOM 878 O CYS A 62 -1.617 3.388 -19.188 1.00 0.00 O ATOM 879 CB CYS A 62 -3.457 2.626 -16.835 1.00 0.00 C ATOM 880 SG CYS A 62 -3.219 0.820 -16.843 1.00 0.00 S ATOM 0 H CYS A 62 -3.371 5.101 -17.170 1.00 0.00 H new ATOM 0 HA CYS A 62 -1.590 3.194 -15.933 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -4.039 2.901 -15.955 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -4.046 2.908 -17.708 1.00 0.00 H new ATOM 0 HG CYS A 62 -3.938 0.283 -15.902 1.00 0.00 H new ATOM 885 N PRO A 63 -0.215 2.306 -17.796 1.00 0.00 N ATOM 886 CA PRO A 63 0.697 1.856 -18.852 1.00 0.00 C ATOM 887 C PRO A 63 0.068 0.794 -19.747 1.00 0.00 C ATOM 888 O PRO A 63 0.739 0.206 -20.595 1.00 0.00 O ATOM 889 CB PRO A 63 1.878 1.270 -18.074 1.00 0.00 C ATOM 890 CG PRO A 63 1.303 0.863 -16.761 1.00 0.00 C ATOM 891 CD PRO A 63 0.214 1.856 -16.461 1.00 0.00 C ATOM 0 HA PRO A 63 0.973 2.667 -19.526 1.00 0.00 H new ATOM 0 HB2 PRO A 63 2.313 0.418 -18.597 1.00 0.00 H new ATOM 0 HB3 PRO A 63 2.672 2.005 -17.947 1.00 0.00 H new ATOM 0 HG2 PRO A 63 0.905 -0.151 -16.806 1.00 0.00 H new ATOM 0 HG3 PRO A 63 2.065 0.872 -15.982 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -0.606 1.398 -15.909 1.00 0.00 H new ATOM 0 HD3 PRO A 63 0.582 2.685 -15.856 1.00 0.00 H new ATOM 899 N VAL A 64 -1.224 0.552 -19.552 1.00 0.00 N ATOM 900 CA VAL A 64 -1.944 -0.439 -20.344 1.00 0.00 C ATOM 901 C VAL A 64 -3.110 0.196 -21.092 1.00 0.00 C ATOM 902 O VAL A 64 -3.171 0.152 -22.321 1.00 0.00 O ATOM 903 CB VAL A 64 -2.478 -1.583 -19.460 1.00 0.00 C ATOM 904 CG1 VAL A 64 -3.293 -2.563 -20.290 1.00 0.00 C ATOM 905 CG2 VAL A 64 -1.330 -2.292 -18.757 1.00 0.00 C ATOM 0 H VAL A 64 -1.794 1.028 -18.853 1.00 0.00 H new ATOM 0 HA VAL A 64 -1.233 -0.846 -21.063 1.00 0.00 H new ATOM 0 HB VAL A 64 -3.132 -1.157 -18.699 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -3.662 -3.364 -19.649 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -4.137 -2.043 -20.743 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -2.665 -2.986 -21.074 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -1.725 -3.097 -18.137 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -0.649 -2.707 -19.500 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -0.793 -1.581 -18.130 1.00 0.00 H new ATOM 915 N CYS A 65 -4.034 0.789 -20.344 1.00 0.00 N ATOM 916 CA CYS A 65 -5.199 1.435 -20.935 1.00 0.00 C ATOM 917 C CYS A 65 -5.030 2.952 -20.952 1.00 0.00 C ATOM 918 O CYS A 65 -5.749 3.659 -21.659 1.00 0.00 O ATOM 919 CB CYS A 65 -6.464 1.061 -20.160 1.00 0.00 C ATOM 920 SG CYS A 65 -6.393 1.458 -18.384 1.00 0.00 S ATOM 0 H CYS A 65 -3.998 0.835 -19.326 1.00 0.00 H new ATOM 0 HA CYS A 65 -5.294 1.086 -21.963 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -7.315 1.578 -20.603 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -6.645 -0.008 -20.275 1.00 0.00 H new ATOM 0 HG CYS A 65 -5.242 1.092 -17.903 1.00 0.00 H new ATOM 925 N ARG A 66 -4.076 3.444 -20.170 1.00 0.00 N ATOM 926 CA ARG A 66 -3.813 4.876 -20.094 1.00 0.00 C ATOM 927 C ARG A 66 -5.043 5.629 -19.595 1.00 0.00 C ATOM 928 O ARG A 66 -5.454 6.628 -20.186 1.00 0.00 O ATOM 929 CB ARG A 66 -3.393 5.412 -21.464 1.00 0.00 C ATOM 930 CG ARG A 66 -2.129 4.769 -22.009 1.00 0.00 C ATOM 931 CD ARG A 66 -0.881 5.386 -21.397 1.00 0.00 C ATOM 932 NE ARG A 66 0.253 5.353 -22.317 1.00 0.00 N ATOM 933 CZ ARG A 66 1.521 5.376 -21.921 1.00 0.00 C ATOM 934 NH1 ARG A 66 1.815 5.432 -20.630 1.00 0.00 N ATOM 935 NH2 ARG A 66 2.498 5.343 -22.819 1.00 0.00 N ATOM 0 H ARG A 66 -3.472 2.872 -19.580 1.00 0.00 H new ATOM 0 HA ARG A 66 -3.000 5.034 -19.385 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -4.206 5.252 -22.172 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -3.241 6.489 -21.392 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -2.146 3.699 -21.802 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -2.099 4.884 -23.092 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -1.088 6.418 -21.114 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -0.622 4.851 -20.483 1.00 0.00 H new ATOM 0 HE ARG A 66 0.061 5.310 -23.318 1.00 0.00 H new ATOM 0 HH11 ARG A 66 1.067 5.458 -19.937 1.00 0.00 H new ATOM 0 HH12 ARG A 66 2.789 5.450 -20.329 1.00 0.00 H new ATOM 0 HH21 ARG A 66 2.275 5.300 -23.813 1.00 0.00 H new ATOM 0 HH22 ARG A 66 3.471 5.361 -22.515 1.00 0.00 H new ATOM 949 N VAL A 67 -5.626 5.143 -18.505 1.00 0.00 N ATOM 950 CA VAL A 67 -6.809 5.770 -17.926 1.00 0.00 C ATOM 951 C VAL A 67 -6.471 6.482 -16.622 1.00 0.00 C ATOM 952 O VAL A 67 -5.722 5.976 -15.785 1.00 0.00 O ATOM 953 CB VAL A 67 -7.919 4.736 -17.661 1.00 0.00 C ATOM 954 CG1 VAL A 67 -9.147 5.410 -17.069 1.00 0.00 C ATOM 955 CG2 VAL A 67 -8.273 3.994 -18.941 1.00 0.00 C ATOM 0 H VAL A 67 -5.299 4.317 -18.004 1.00 0.00 H new ATOM 0 HA VAL A 67 -7.168 6.499 -18.652 1.00 0.00 H new ATOM 0 HB VAL A 67 -7.549 4.009 -16.938 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -9.920 4.663 -16.889 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -8.880 5.891 -16.128 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -9.522 6.160 -17.766 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -9.059 3.267 -18.735 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -8.623 4.705 -19.689 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -7.391 3.477 -19.318 1.00 0.00 H new ATOM 965 N PRO A 68 -7.034 7.686 -16.441 1.00 0.00 N ATOM 966 CA PRO A 68 -6.808 8.494 -15.239 1.00 0.00 C ATOM 967 C PRO A 68 -7.467 7.891 -14.003 1.00 0.00 C ATOM 968 O PRO A 68 -8.692 7.895 -13.876 1.00 0.00 O ATOM 969 CB PRO A 68 -7.454 9.837 -15.588 1.00 0.00 C ATOM 970 CG PRO A 68 -8.487 9.507 -16.609 1.00 0.00 C ATOM 971 CD PRO A 68 -7.937 8.350 -17.397 1.00 0.00 C ATOM 0 HA PRO A 68 -5.749 8.567 -14.990 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -7.901 10.302 -14.709 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -6.719 10.539 -15.981 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -9.433 9.242 -16.136 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -8.683 10.362 -17.256 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -8.729 7.681 -17.734 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -7.404 8.686 -18.286 1.00 0.00 H new ATOM 979 N TYR A 69 -6.647 7.374 -13.095 1.00 0.00 N ATOM 980 CA TYR A 69 -7.151 6.766 -11.869 1.00 0.00 C ATOM 981 C TYR A 69 -6.682 7.543 -10.643 1.00 0.00 C ATOM 982 O TYR A 69 -5.563 8.053 -10.590 1.00 0.00 O ATOM 983 CB TYR A 69 -6.692 5.310 -11.771 1.00 0.00 C ATOM 984 CG TYR A 69 -5.191 5.154 -11.670 1.00 0.00 C ATOM 985 CD1 TYR A 69 -4.546 5.233 -10.442 1.00 0.00 C ATOM 986 CD2 TYR A 69 -4.419 4.929 -12.803 1.00 0.00 C ATOM 987 CE1 TYR A 69 -3.175 5.092 -10.345 1.00 0.00 C ATOM 988 CE2 TYR A 69 -3.048 4.785 -12.715 1.00 0.00 C ATOM 989 CZ TYR A 69 -2.431 4.868 -11.485 1.00 0.00 C ATOM 990 OH TYR A 69 -1.065 4.726 -11.393 1.00 0.00 O ATOM 0 H TYR A 69 -5.631 7.364 -13.184 1.00 0.00 H new ATOM 0 HA TYR A 69 -8.240 6.795 -11.900 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -7.156 4.849 -10.899 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -7.047 4.766 -12.646 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -5.126 5.408 -9.548 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -4.899 4.866 -13.769 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -2.689 5.157 -9.383 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -2.463 4.608 -13.605 1.00 0.00 H new ATOM 0 HH TYR A 69 -0.691 4.573 -12.286 1.00 0.00 H new ATOM 1000 N PRO A 70 -7.558 7.635 -9.631 1.00 0.00 N ATOM 1001 CA PRO A 70 -7.257 8.347 -8.385 1.00 0.00 C ATOM 1002 C PRO A 70 -6.212 7.623 -7.543 1.00 0.00 C ATOM 1003 O PRO A 70 -6.548 6.823 -6.670 1.00 0.00 O ATOM 1004 CB PRO A 70 -8.604 8.374 -7.658 1.00 0.00 C ATOM 1005 CG PRO A 70 -9.348 7.201 -8.195 1.00 0.00 C ATOM 1006 CD PRO A 70 -8.910 7.052 -9.626 1.00 0.00 C ATOM 0 HA PRO A 70 -6.838 9.336 -8.571 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -8.473 8.299 -6.579 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -9.139 9.304 -7.850 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -9.123 6.301 -7.622 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -10.425 7.359 -8.131 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -8.898 6.007 -9.936 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -9.578 7.579 -10.308 1.00 0.00 H new ATOM 1014 N PHE A 71 -4.942 7.910 -7.810 1.00 0.00 N ATOM 1015 CA PHE A 71 -3.846 7.287 -7.077 1.00 0.00 C ATOM 1016 C PHE A 71 -4.159 7.221 -5.584 1.00 0.00 C ATOM 1017 O PHE A 71 -4.453 8.236 -4.955 1.00 0.00 O ATOM 1018 CB PHE A 71 -2.546 8.061 -7.303 1.00 0.00 C ATOM 1019 CG PHE A 71 -1.319 7.310 -6.875 1.00 0.00 C ATOM 1020 CD1 PHE A 71 -1.017 7.157 -5.531 1.00 0.00 C ATOM 1021 CD2 PHE A 71 -0.466 6.755 -7.816 1.00 0.00 C ATOM 1022 CE1 PHE A 71 0.112 6.467 -5.134 1.00 0.00 C ATOM 1023 CE2 PHE A 71 0.665 6.063 -7.425 1.00 0.00 C ATOM 1024 CZ PHE A 71 0.954 5.918 -6.082 1.00 0.00 C ATOM 0 H PHE A 71 -4.646 8.570 -8.529 1.00 0.00 H new ATOM 0 HA PHE A 71 -3.724 6.270 -7.451 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -2.460 8.309 -8.361 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -2.594 9.003 -6.757 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -1.672 7.582 -4.785 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -0.688 6.865 -8.867 1.00 0.00 H new ATOM 0 HE1 PHE A 71 0.336 6.357 -4.083 1.00 0.00 H new ATOM 0 HE2 PHE A 71 1.322 5.636 -8.169 1.00 0.00 H new ATOM 0 HZ PHE A 71 1.836 5.377 -5.774 1.00 0.00 H new ATOM 1034 N GLY A 72 -4.093 6.017 -5.024 1.00 0.00 N ATOM 1035 CA GLY A 72 -4.372 5.840 -3.611 1.00 0.00 C ATOM 1036 C GLY A 72 -5.551 4.920 -3.364 1.00 0.00 C ATOM 1037 O GLY A 72 -5.562 4.160 -2.397 1.00 0.00 O ATOM 0 H GLY A 72 -3.851 5.161 -5.524 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -3.489 5.434 -3.117 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -4.572 6.811 -3.159 1.00 0.00 H new ATOM 1041 N ASN A 73 -6.549 4.992 -4.239 1.00 0.00 N ATOM 1042 CA ASN A 73 -7.740 4.161 -4.109 1.00 0.00 C ATOM 1043 C ASN A 73 -7.496 2.767 -4.681 1.00 0.00 C ATOM 1044 O ASN A 73 -8.364 2.195 -5.342 1.00 0.00 O ATOM 1045 CB ASN A 73 -8.925 4.816 -4.822 1.00 0.00 C ATOM 1046 CG ASN A 73 -10.259 4.272 -4.347 1.00 0.00 C ATOM 1047 OD1 ASN A 73 -10.496 4.139 -3.146 1.00 0.00 O ATOM 1048 ND2 ASN A 73 -11.137 3.953 -5.290 1.00 0.00 N ATOM 0 H ASN A 73 -6.556 5.617 -5.045 1.00 0.00 H new ATOM 0 HA ASN A 73 -7.971 4.064 -3.048 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -8.895 5.893 -4.656 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -8.832 4.656 -5.896 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -12.051 3.581 -5.031 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -10.898 4.080 -6.273 1.00 0.00 H new ATOM 1055 N LEU A 74 -6.311 2.227 -4.422 1.00 0.00 N ATOM 1056 CA LEU A 74 -5.952 0.899 -4.909 1.00 0.00 C ATOM 1057 C LEU A 74 -6.159 -0.153 -3.825 1.00 0.00 C ATOM 1058 O LEU A 74 -5.976 0.117 -2.638 1.00 0.00 O ATOM 1059 CB LEU A 74 -4.497 0.884 -5.381 1.00 0.00 C ATOM 1060 CG LEU A 74 -4.115 1.943 -6.416 1.00 0.00 C ATOM 1061 CD1 LEU A 74 -2.615 2.191 -6.397 1.00 0.00 C ATOM 1062 CD2 LEU A 74 -4.570 1.519 -7.805 1.00 0.00 C ATOM 0 H LEU A 74 -5.582 2.688 -3.878 1.00 0.00 H new ATOM 0 HA LEU A 74 -6.602 0.659 -5.750 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -3.853 1.007 -4.511 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -4.282 -0.099 -5.800 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.620 2.874 -6.159 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -2.362 2.947 -7.140 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -2.316 2.539 -5.408 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -2.090 1.264 -6.629 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -4.290 2.284 -8.529 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -4.094 0.576 -8.072 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -5.653 1.393 -7.811 1.00 0.00 H new ATOM 1074 N LYS A 75 -6.539 -1.357 -4.241 1.00 0.00 N ATOM 1075 CA LYS A 75 -6.768 -2.453 -3.307 1.00 0.00 C ATOM 1076 C LYS A 75 -5.721 -3.548 -3.487 1.00 0.00 C ATOM 1077 O LYS A 75 -5.286 -3.847 -4.599 1.00 0.00 O ATOM 1078 CB LYS A 75 -8.169 -3.035 -3.505 1.00 0.00 C ATOM 1079 CG LYS A 75 -9.280 -2.008 -3.364 1.00 0.00 C ATOM 1080 CD LYS A 75 -10.651 -2.646 -3.510 1.00 0.00 C ATOM 1081 CE LYS A 75 -11.186 -3.131 -2.172 1.00 0.00 C ATOM 1082 NZ LYS A 75 -11.389 -2.008 -1.215 1.00 0.00 N ATOM 0 H LYS A 75 -6.695 -1.598 -5.220 1.00 0.00 H new ATOM 0 HA LYS A 75 -6.685 -2.058 -2.294 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.228 -3.489 -4.494 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -8.328 -3.832 -2.779 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -9.206 -1.522 -2.391 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -9.157 -1.231 -4.119 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -11.345 -1.924 -3.940 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -10.591 -3.484 -4.204 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -12.131 -3.652 -2.326 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -10.491 -3.852 -1.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -12.136 -2.260 -0.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -10.503 -1.825 -0.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -11.669 -1.153 -1.737 1.00 0.00 H new ATOM 1096 N PRO A 76 -5.308 -4.162 -2.369 1.00 0.00 N ATOM 1097 CA PRO A 76 -4.310 -5.236 -2.378 1.00 0.00 C ATOM 1098 C PRO A 76 -4.844 -6.519 -3.003 1.00 0.00 C ATOM 1099 O PRO A 76 -5.927 -6.987 -2.654 1.00 0.00 O ATOM 1100 CB PRO A 76 -4.006 -5.450 -0.893 1.00 0.00 C ATOM 1101 CG PRO A 76 -5.232 -4.987 -0.185 1.00 0.00 C ATOM 1102 CD PRO A 76 -5.785 -3.858 -1.010 1.00 0.00 C ATOM 0 HA PRO A 76 -3.435 -4.974 -2.973 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -3.797 -6.498 -0.679 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -3.130 -4.880 -0.582 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -5.958 -5.795 -0.093 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -4.996 -4.653 0.825 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -6.874 -3.823 -0.965 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -5.420 -2.891 -0.663 1.00 0.00 H new