USER MOD reduce.3.24.130724 H: found=0, std=0, add=547, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 549 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 31 SER OG : rot -75:sc= 0.846 USER MOD Set 1.2: A 75 ASN : amide:sc= -0.149 K(o=0.7,f=-4.8!) USER MOD Single : A 21 LYS NZ :NH3+ 147:sc= 1.43 (180deg=0.188!) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0244 USER MOD Single : A 30 LYS NZ :NH3+ -146:sc= -2.67 (180deg=-6.19!) USER MOD Single : A 36 LYS NZ :NH3+ -158:sc= 0.805 (180deg=-0.0878) USER MOD Single : A 37 LYS NZ :NH3+ 148:sc= -2.73! (180deg=-5.58!) USER MOD Single : A 41 GLN : amide:sc= -1.46 K(o=-1.5,f=-0.9) USER MOD Single : A 43 LYS NZ :NH3+ 141:sc= 0.0273! (180deg=-2!) USER MOD Single : A 47 GLN : amide:sc= -2.69! K(o=-2.7!,f=-0.92) USER MOD Single : A 55 THR OG1 : rot 121:sc= 1.28 USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.11 USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 TYR OH : rot 150:sc= -0.346 USER MOD Single : A 72 LYS NZ :NH3+ 140:sc= 2.04 (180deg=-0.334!) USER MOD Single : A 78 GLN : amide:sc= 1.05 K(o=1,f=-5.1!) USER MOD ----------------------------------------------------------------- ATOM 1 CA LEU A 20 -8.212 -32.729 4.298 1.00 0.00 C ATOM 2 C LEU A 20 -9.118 -31.785 5.131 1.00 0.00 C ATOM 3 O LEU A 20 -9.932 -31.036 4.630 1.00 0.00 O ATOM 4 CB LEU A 20 -8.617 -32.727 2.787 1.00 0.00 C ATOM 5 CG LEU A 20 -7.541 -33.413 1.896 1.00 0.00 C ATOM 6 CD1 LEU A 20 -8.091 -33.514 0.469 1.00 0.00 C ATOM 7 CD2 LEU A 20 -6.269 -32.537 1.808 1.00 0.00 C ATOM 0 HB2 LEU A 20 -9.570 -33.242 2.666 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -8.765 -31.700 2.452 1.00 0.00 H new ATOM 0 HG LEU A 20 -7.305 -34.387 2.326 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -7.351 -33.993 -0.173 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -9.006 -34.106 0.473 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -8.307 -32.515 0.091 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -5.528 -33.033 1.181 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -6.523 -31.570 1.374 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -5.859 -32.390 2.807 1.00 0.00 H new ATOM 19 N LYS A 21 -8.932 -31.841 6.421 1.00 0.00 N ATOM 20 CA LYS A 21 -9.704 -30.960 7.330 1.00 0.00 C ATOM 21 C LYS A 21 -8.629 -29.906 7.626 1.00 0.00 C ATOM 22 O LYS A 21 -8.049 -29.761 8.681 1.00 0.00 O ATOM 23 CB LYS A 21 -10.133 -31.799 8.557 1.00 0.00 C ATOM 24 CG LYS A 21 -11.308 -31.095 9.275 1.00 0.00 C ATOM 25 CD LYS A 21 -10.829 -29.766 9.919 1.00 0.00 C ATOM 26 CE LYS A 21 -11.938 -29.203 10.781 1.00 0.00 C ATOM 27 NZ LYS A 21 -12.922 -28.615 9.838 1.00 0.00 N ATOM 0 H LYS A 21 -8.272 -32.466 6.884 1.00 0.00 H new ATOM 0 HA LYS A 21 -10.631 -30.519 6.964 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -10.432 -32.799 8.241 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -9.293 -31.918 9.241 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -12.109 -30.894 8.564 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -11.720 -31.751 10.042 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -9.937 -29.940 10.521 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -10.556 -29.050 9.144 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -12.396 -29.984 11.388 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -11.555 -28.448 11.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -13.881 -28.719 10.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -12.712 -27.606 9.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -12.864 -29.108 8.924 1.00 0.00 H new ATOM 41 N THR A 22 -8.396 -29.169 6.586 1.00 0.00 N ATOM 42 CA THR A 22 -7.360 -28.070 6.565 1.00 0.00 C ATOM 43 C THR A 22 -7.981 -26.706 6.784 1.00 0.00 C ATOM 44 O THR A 22 -7.346 -25.695 6.563 1.00 0.00 O ATOM 45 CB THR A 22 -6.667 -28.048 5.223 1.00 0.00 C ATOM 46 OG1 THR A 22 -7.700 -27.986 4.243 1.00 0.00 O ATOM 47 CG2 THR A 22 -6.002 -29.387 4.931 1.00 0.00 C ATOM 0 H THR A 22 -8.896 -29.277 5.703 1.00 0.00 H new ATOM 0 HA THR A 22 -6.656 -28.277 7.371 1.00 0.00 H new ATOM 0 HB THR A 22 -5.948 -27.229 5.214 1.00 0.00 H new ATOM 0 HG1 THR A 22 -7.301 -27.968 3.348 1.00 0.00 H new ATOM 0 HG21 THR A 22 -5.510 -29.345 3.959 1.00 0.00 H new ATOM 0 HG22 THR A 22 -5.263 -29.602 5.703 1.00 0.00 H new ATOM 0 HG23 THR A 22 -6.756 -30.174 4.922 1.00 0.00 H new ATOM 55 N GLU A 23 -9.207 -26.766 7.214 1.00 0.00 N ATOM 56 CA GLU A 23 -10.064 -25.571 7.510 1.00 0.00 C ATOM 57 C GLU A 23 -10.925 -25.725 8.794 1.00 0.00 C ATOM 58 O GLU A 23 -11.380 -26.797 9.143 1.00 0.00 O ATOM 59 CB GLU A 23 -10.943 -25.360 6.254 1.00 0.00 C ATOM 60 CG GLU A 23 -11.967 -26.552 6.006 1.00 0.00 C ATOM 61 CD GLU A 23 -11.334 -27.936 6.175 1.00 0.00 C ATOM 62 OE1 GLU A 23 -10.510 -28.265 5.334 1.00 0.00 O ATOM 63 OE2 GLU A 23 -11.718 -28.554 7.156 1.00 0.00 O ATOM 0 H GLU A 23 -9.684 -27.651 7.385 1.00 0.00 H new ATOM 0 HA GLU A 23 -9.436 -24.705 7.718 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -11.498 -24.427 6.358 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -10.300 -25.253 5.381 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -12.803 -26.455 6.699 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -12.376 -26.467 4.999 1.00 0.00 H new ATOM 70 N TRP A 24 -11.132 -24.625 9.470 1.00 0.00 N ATOM 71 CA TRP A 24 -11.929 -24.669 10.736 1.00 0.00 C ATOM 72 C TRP A 24 -13.055 -23.644 10.908 1.00 0.00 C ATOM 73 O TRP A 24 -13.047 -22.789 11.773 1.00 0.00 O ATOM 74 CB TRP A 24 -10.886 -24.591 11.836 1.00 0.00 C ATOM 75 CG TRP A 24 -10.200 -25.890 12.073 1.00 0.00 C ATOM 76 CD1 TRP A 24 -10.712 -26.724 12.955 1.00 0.00 C ATOM 77 CD2 TRP A 24 -9.080 -26.375 11.562 1.00 0.00 C ATOM 78 NE1 TRP A 24 -9.852 -27.726 12.961 1.00 0.00 N ATOM 79 CE2 TRP A 24 -8.812 -27.597 12.137 1.00 0.00 C ATOM 80 CE3 TRP A 24 -8.257 -25.817 10.616 1.00 0.00 C ATOM 81 CZ2 TRP A 24 -7.670 -28.252 11.736 1.00 0.00 C ATOM 82 CZ3 TRP A 24 -7.129 -26.487 10.231 1.00 0.00 C ATOM 83 CH2 TRP A 24 -6.828 -27.708 10.789 1.00 0.00 C ATOM 0 H TRP A 24 -10.787 -23.703 9.204 1.00 0.00 H new ATOM 0 HA TRP A 24 -12.521 -25.584 10.747 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -10.144 -23.836 11.575 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -11.363 -24.263 12.760 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -11.617 -26.615 13.534 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -9.975 -28.545 13.557 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -8.498 -24.859 10.180 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -7.429 -29.210 12.171 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -6.474 -26.057 9.488 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -5.937 -28.238 10.487 1.00 0.00 H new ATOM 94 N PRO A 25 -14.024 -23.788 10.043 1.00 0.00 N ATOM 95 CA PRO A 25 -15.227 -22.920 10.027 1.00 0.00 C ATOM 96 C PRO A 25 -15.990 -23.011 11.341 1.00 0.00 C ATOM 97 O PRO A 25 -16.552 -22.043 11.800 1.00 0.00 O ATOM 98 CB PRO A 25 -15.953 -23.429 8.796 1.00 0.00 C ATOM 99 CG PRO A 25 -15.572 -24.903 8.713 1.00 0.00 C ATOM 100 CD PRO A 25 -14.077 -24.835 8.977 1.00 0.00 C ATOM 0 HA PRO A 25 -15.042 -21.848 9.959 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -17.032 -23.302 8.890 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -15.645 -22.888 7.901 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -16.094 -25.506 9.456 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -15.799 -25.333 7.737 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -13.674 -25.789 9.316 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -13.514 -24.548 8.089 1.00 0.00 H new ATOM 108 N GLU A 26 -15.969 -24.174 11.923 1.00 0.00 N ATOM 109 CA GLU A 26 -16.659 -24.420 13.218 1.00 0.00 C ATOM 110 C GLU A 26 -16.097 -23.430 14.304 1.00 0.00 C ATOM 111 O GLU A 26 -16.626 -23.259 15.389 1.00 0.00 O ATOM 112 CB GLU A 26 -16.399 -25.933 13.503 1.00 0.00 C ATOM 113 CG GLU A 26 -16.639 -26.837 12.192 1.00 0.00 C ATOM 114 CD GLU A 26 -15.330 -27.322 11.516 1.00 0.00 C ATOM 115 OE1 GLU A 26 -14.396 -26.540 11.495 1.00 0.00 O ATOM 116 OE2 GLU A 26 -15.276 -28.442 11.025 1.00 0.00 O ATOM 0 H GLU A 26 -15.488 -24.989 11.543 1.00 0.00 H new ATOM 0 HA GLU A 26 -17.732 -24.230 13.215 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -15.376 -26.066 13.854 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -17.057 -26.271 14.303 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -17.238 -27.705 12.466 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -17.219 -26.264 11.469 1.00 0.00 H new ATOM 123 N LEU A 27 -15.010 -22.782 13.972 1.00 0.00 N ATOM 124 CA LEU A 27 -14.354 -21.800 14.864 1.00 0.00 C ATOM 125 C LEU A 27 -14.719 -20.328 14.497 1.00 0.00 C ATOM 126 O LEU A 27 -14.206 -19.427 15.133 1.00 0.00 O ATOM 127 CB LEU A 27 -12.817 -22.074 14.752 1.00 0.00 C ATOM 128 CG LEU A 27 -12.460 -23.574 14.870 1.00 0.00 C ATOM 129 CD1 LEU A 27 -10.923 -23.774 14.921 1.00 0.00 C ATOM 130 CD2 LEU A 27 -13.008 -24.169 16.154 1.00 0.00 C ATOM 0 H LEU A 27 -14.536 -22.905 13.077 1.00 0.00 H new ATOM 0 HA LEU A 27 -14.698 -21.918 15.891 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -12.455 -21.694 13.797 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -12.297 -21.520 15.533 1.00 0.00 H new ATOM 0 HG LEU A 27 -12.894 -24.062 13.997 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -10.697 -24.837 15.004 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -10.474 -23.378 14.010 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -10.516 -23.248 15.785 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -12.741 -25.224 16.209 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -12.584 -23.643 17.009 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -14.093 -24.068 16.168 1.00 0.00 H new ATOM 142 N VAL A 28 -15.570 -20.070 13.529 1.00 0.00 N ATOM 143 CA VAL A 28 -15.936 -18.647 13.194 1.00 0.00 C ATOM 144 C VAL A 28 -16.858 -18.139 14.322 1.00 0.00 C ATOM 145 O VAL A 28 -17.857 -18.749 14.653 1.00 0.00 O ATOM 146 CB VAL A 28 -16.660 -18.631 11.824 1.00 0.00 C ATOM 147 CG1 VAL A 28 -17.162 -17.199 11.496 1.00 0.00 C ATOM 148 CG2 VAL A 28 -15.659 -19.017 10.715 1.00 0.00 C ATOM 0 H VAL A 28 -16.028 -20.779 12.956 1.00 0.00 H new ATOM 0 HA VAL A 28 -15.060 -18.003 13.120 1.00 0.00 H new ATOM 0 HB VAL A 28 -17.496 -19.329 11.872 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -17.668 -17.203 10.531 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -17.857 -16.871 12.269 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -16.313 -16.516 11.457 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -16.164 -19.007 9.749 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -14.837 -18.301 10.702 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -15.268 -20.016 10.909 1.00 0.00 H new ATOM 158 N GLY A 29 -16.490 -17.014 14.886 1.00 0.00 N ATOM 159 CA GLY A 29 -17.256 -16.465 16.060 1.00 0.00 C ATOM 160 C GLY A 29 -16.511 -16.849 17.351 1.00 0.00 C ATOM 161 O GLY A 29 -16.969 -16.594 18.448 1.00 0.00 O ATOM 0 H GLY A 29 -15.694 -16.450 14.588 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -17.344 -15.381 15.982 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -18.269 -16.867 16.073 1.00 0.00 H new ATOM 165 N LYS A 30 -15.370 -17.471 17.187 1.00 0.00 N ATOM 166 CA LYS A 30 -14.544 -17.926 18.345 1.00 0.00 C ATOM 167 C LYS A 30 -13.172 -17.277 18.429 1.00 0.00 C ATOM 168 O LYS A 30 -12.704 -16.766 17.440 1.00 0.00 O ATOM 169 CB LYS A 30 -14.357 -19.393 18.205 1.00 0.00 C ATOM 170 CG LYS A 30 -15.743 -20.085 17.981 1.00 0.00 C ATOM 171 CD LYS A 30 -15.937 -21.217 18.994 1.00 0.00 C ATOM 172 CE LYS A 30 -16.702 -20.703 20.218 1.00 0.00 C ATOM 173 NZ LYS A 30 -16.043 -19.469 20.741 1.00 0.00 N ATOM 0 H LYS A 30 -14.968 -17.687 16.275 1.00 0.00 H new ATOM 0 HA LYS A 30 -15.074 -17.640 19.253 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -13.694 -19.606 17.366 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -13.880 -19.795 19.099 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -16.544 -19.353 18.084 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -15.801 -20.480 16.967 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -16.484 -22.039 18.532 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -14.968 -21.611 19.300 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -17.736 -20.489 19.949 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -16.727 -21.470 20.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -16.133 -19.440 21.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -15.036 -19.476 20.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -16.500 -18.630 20.330 1.00 0.00 H new ATOM 187 N SER A 31 -12.555 -17.315 19.573 1.00 0.00 N ATOM 188 CA SER A 31 -11.200 -16.702 19.718 1.00 0.00 C ATOM 189 C SER A 31 -10.078 -17.612 19.426 1.00 0.00 C ATOM 190 O SER A 31 -10.090 -18.810 19.543 1.00 0.00 O ATOM 191 CB SER A 31 -11.077 -16.125 21.116 1.00 0.00 C ATOM 192 OG SER A 31 -12.318 -16.362 21.781 1.00 0.00 O ATOM 0 H SER A 31 -12.928 -17.745 20.420 1.00 0.00 H new ATOM 0 HA SER A 31 -11.122 -15.921 18.962 1.00 0.00 H new ATOM 0 HB2 SER A 31 -10.255 -16.596 21.656 1.00 0.00 H new ATOM 0 HB3 SER A 31 -10.861 -15.058 21.074 1.00 0.00 H new ATOM 0 HG SER A 31 -12.996 -15.743 21.438 1.00 0.00 H new ATOM 198 N VAL A 32 -9.091 -16.895 19.037 1.00 0.00 N ATOM 199 CA VAL A 32 -7.878 -17.490 18.512 1.00 0.00 C ATOM 200 C VAL A 32 -7.310 -18.723 19.222 1.00 0.00 C ATOM 201 O VAL A 32 -7.251 -19.798 18.639 1.00 0.00 O ATOM 202 CB VAL A 32 -6.988 -16.217 18.430 1.00 0.00 C ATOM 203 CG1 VAL A 32 -6.619 -15.584 19.799 1.00 0.00 C ATOM 204 CG2 VAL A 32 -5.706 -16.384 17.583 1.00 0.00 C ATOM 0 H VAL A 32 -9.082 -15.875 19.066 1.00 0.00 H new ATOM 0 HA VAL A 32 -8.008 -18.011 17.563 1.00 0.00 H new ATOM 0 HB VAL A 32 -7.650 -15.523 17.913 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -5.998 -14.703 19.637 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -7.530 -15.294 20.323 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -6.070 -16.310 20.399 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -5.147 -15.448 17.581 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -5.089 -17.175 18.009 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -5.977 -16.647 16.561 1.00 0.00 H new ATOM 214 N GLU A 33 -6.924 -18.601 20.461 1.00 0.00 N ATOM 215 CA GLU A 33 -6.355 -19.812 21.130 1.00 0.00 C ATOM 216 C GLU A 33 -7.447 -20.875 21.394 1.00 0.00 C ATOM 217 O GLU A 33 -7.151 -22.036 21.591 1.00 0.00 O ATOM 218 CB GLU A 33 -5.651 -19.340 22.428 1.00 0.00 C ATOM 219 CG GLU A 33 -4.355 -18.470 22.074 1.00 0.00 C ATOM 220 CD GLU A 33 -3.363 -19.122 21.068 1.00 0.00 C ATOM 221 OE1 GLU A 33 -3.597 -19.034 19.871 1.00 0.00 O ATOM 222 OE2 GLU A 33 -2.385 -19.705 21.514 1.00 0.00 O ATOM 0 H GLU A 33 -6.972 -17.752 21.025 1.00 0.00 H new ATOM 0 HA GLU A 33 -5.627 -20.303 20.484 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -6.341 -18.748 23.029 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -5.365 -20.203 23.029 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -4.682 -17.513 21.666 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -3.819 -18.256 22.999 1.00 0.00 H new ATOM 229 N GLU A 34 -8.682 -20.458 21.367 1.00 0.00 N ATOM 230 CA GLU A 34 -9.838 -21.393 21.543 1.00 0.00 C ATOM 231 C GLU A 34 -10.017 -22.155 20.216 1.00 0.00 C ATOM 232 O GLU A 34 -10.193 -23.367 20.197 1.00 0.00 O ATOM 233 CB GLU A 34 -11.083 -20.588 21.858 1.00 0.00 C ATOM 234 CG GLU A 34 -12.338 -21.513 21.811 1.00 0.00 C ATOM 235 CD GLU A 34 -13.620 -20.680 21.791 1.00 0.00 C ATOM 236 OE1 GLU A 34 -13.623 -19.576 21.264 1.00 0.00 O ATOM 237 OE2 GLU A 34 -14.600 -21.182 22.302 1.00 0.00 O ATOM 0 H GLU A 34 -8.949 -19.484 21.227 1.00 0.00 H new ATOM 0 HA GLU A 34 -9.663 -22.093 22.360 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -10.993 -20.133 22.844 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -11.192 -19.775 21.140 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -12.296 -22.147 20.925 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -12.341 -22.175 22.677 1.00 0.00 H new ATOM 244 N ALA A 35 -9.976 -21.430 19.123 1.00 0.00 N ATOM 245 CA ALA A 35 -10.083 -22.078 17.799 1.00 0.00 C ATOM 246 C ALA A 35 -8.976 -23.117 17.849 1.00 0.00 C ATOM 247 O ALA A 35 -9.193 -24.293 17.699 1.00 0.00 O ATOM 248 CB ALA A 35 -9.842 -21.012 16.709 1.00 0.00 C ATOM 0 H ALA A 35 -9.873 -20.415 19.102 1.00 0.00 H new ATOM 0 HA ALA A 35 -11.050 -22.528 17.574 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -9.918 -21.474 15.725 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -10.590 -20.225 16.798 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -8.848 -20.583 16.833 1.00 0.00 H new ATOM 254 N LYS A 36 -7.804 -22.630 18.115 1.00 0.00 N ATOM 255 CA LYS A 36 -6.571 -23.439 18.186 1.00 0.00 C ATOM 256 C LYS A 36 -6.808 -24.649 19.041 1.00 0.00 C ATOM 257 O LYS A 36 -6.530 -25.771 18.677 1.00 0.00 O ATOM 258 CB LYS A 36 -5.542 -22.498 18.733 1.00 0.00 C ATOM 259 CG LYS A 36 -4.159 -23.107 18.903 1.00 0.00 C ATOM 260 CD LYS A 36 -3.315 -21.893 19.282 1.00 0.00 C ATOM 261 CE LYS A 36 -1.843 -22.175 19.460 1.00 0.00 C ATOM 262 NZ LYS A 36 -1.233 -20.826 19.520 1.00 0.00 N ATOM 0 H LYS A 36 -7.647 -21.639 18.297 1.00 0.00 H new ATOM 0 HA LYS A 36 -6.240 -23.839 17.227 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -5.467 -21.636 18.070 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.884 -22.128 19.700 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -4.144 -23.872 19.680 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -3.806 -23.578 17.985 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -3.434 -21.131 18.512 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -3.705 -21.473 20.209 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -1.651 -22.742 20.371 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -1.444 -22.759 18.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -0.225 -20.889 19.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -1.717 -20.196 18.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -1.328 -20.445 20.483 1.00 0.00 H new ATOM 276 N LYS A 37 -7.353 -24.350 20.176 1.00 0.00 N ATOM 277 CA LYS A 37 -7.643 -25.396 21.153 1.00 0.00 C ATOM 278 C LYS A 37 -8.468 -26.481 20.440 1.00 0.00 C ATOM 279 O LYS A 37 -8.220 -27.654 20.603 1.00 0.00 O ATOM 280 CB LYS A 37 -8.356 -24.697 22.291 1.00 0.00 C ATOM 281 CG LYS A 37 -8.804 -25.654 23.403 1.00 0.00 C ATOM 282 CD LYS A 37 -10.032 -25.021 24.103 1.00 0.00 C ATOM 283 CE LYS A 37 -11.175 -24.669 23.124 1.00 0.00 C ATOM 284 NZ LYS A 37 -11.294 -25.746 22.095 1.00 0.00 N ATOM 0 H LYS A 37 -7.611 -23.406 20.465 1.00 0.00 H new ATOM 0 HA LYS A 37 -6.771 -25.905 21.564 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -7.695 -23.941 22.716 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -9.228 -24.174 21.898 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -9.061 -26.629 22.988 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -7.997 -25.814 24.118 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -10.408 -25.712 24.858 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -9.719 -24.117 24.626 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -12.114 -24.563 23.667 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -10.975 -23.711 22.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -12.288 -25.838 21.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -10.711 -25.503 21.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -10.967 -26.648 22.497 1.00 0.00 H new ATOM 298 N VAL A 38 -9.441 -26.070 19.665 1.00 0.00 N ATOM 299 CA VAL A 38 -10.238 -27.075 18.860 1.00 0.00 C ATOM 300 C VAL A 38 -9.416 -27.683 17.708 1.00 0.00 C ATOM 301 O VAL A 38 -9.391 -28.874 17.493 1.00 0.00 O ATOM 302 CB VAL A 38 -11.494 -26.442 18.188 1.00 0.00 C ATOM 303 CG1 VAL A 38 -12.152 -27.492 17.230 1.00 0.00 C ATOM 304 CG2 VAL A 38 -12.522 -25.915 19.189 1.00 0.00 C ATOM 0 H VAL A 38 -9.723 -25.097 19.549 1.00 0.00 H new ATOM 0 HA VAL A 38 -10.524 -27.834 19.588 1.00 0.00 H new ATOM 0 HB VAL A 38 -11.153 -25.573 17.625 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -13.031 -27.053 16.758 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -11.435 -27.783 16.462 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -12.448 -28.371 17.802 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -13.369 -25.489 18.651 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -12.868 -26.734 19.820 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -12.063 -25.146 19.811 1.00 0.00 H new ATOM 314 N ILE A 39 -8.762 -26.829 16.992 1.00 0.00 N ATOM 315 CA ILE A 39 -7.931 -27.213 15.813 1.00 0.00 C ATOM 316 C ILE A 39 -7.035 -28.364 16.178 1.00 0.00 C ATOM 317 O ILE A 39 -6.928 -29.356 15.495 1.00 0.00 O ATOM 318 CB ILE A 39 -7.115 -25.991 15.404 1.00 0.00 C ATOM 319 CG1 ILE A 39 -8.102 -24.976 14.839 1.00 0.00 C ATOM 320 CG2 ILE A 39 -6.173 -26.346 14.301 1.00 0.00 C ATOM 321 CD1 ILE A 39 -7.419 -23.723 14.315 1.00 0.00 C ATOM 0 H ILE A 39 -8.765 -25.827 17.180 1.00 0.00 H new ATOM 0 HA ILE A 39 -8.557 -27.532 14.980 1.00 0.00 H new ATOM 0 HB ILE A 39 -6.555 -25.612 16.259 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -8.671 -25.439 14.033 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -8.816 -24.699 15.615 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -5.596 -25.466 14.018 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.496 -27.130 14.639 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -6.739 -26.702 13.440 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -8.170 -23.036 13.925 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -6.872 -23.241 15.125 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -6.725 -23.993 13.519 1.00 0.00 H new ATOM 333 N LEU A 40 -6.404 -28.184 17.288 1.00 0.00 N ATOM 334 CA LEU A 40 -5.477 -29.194 17.811 1.00 0.00 C ATOM 335 C LEU A 40 -6.135 -30.537 18.073 1.00 0.00 C ATOM 336 O LEU A 40 -5.458 -31.543 18.107 1.00 0.00 O ATOM 337 CB LEU A 40 -4.879 -28.486 19.020 1.00 0.00 C ATOM 338 CG LEU A 40 -3.812 -27.548 18.413 1.00 0.00 C ATOM 339 CD1 LEU A 40 -3.328 -26.516 19.404 1.00 0.00 C ATOM 340 CD2 LEU A 40 -2.619 -28.432 18.005 1.00 0.00 C ATOM 0 H LEU A 40 -6.497 -27.352 17.871 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.703 -29.503 17.109 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.636 -27.927 19.570 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.436 -29.195 19.719 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.247 -27.012 17.569 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.579 -25.880 18.931 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.168 -25.904 19.732 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.886 -27.018 20.265 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.837 -27.810 17.569 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.228 -28.944 18.884 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.946 -29.169 17.272 1.00 0.00 H new ATOM 352 N GLN A 41 -7.423 -30.551 18.250 1.00 0.00 N ATOM 353 CA GLN A 41 -8.115 -31.865 18.442 1.00 0.00 C ATOM 354 C GLN A 41 -8.291 -32.539 17.046 1.00 0.00 C ATOM 355 O GLN A 41 -8.551 -33.724 16.928 1.00 0.00 O ATOM 356 CB GLN A 41 -9.475 -31.555 19.176 1.00 0.00 C ATOM 357 CG GLN A 41 -10.590 -32.597 18.827 1.00 0.00 C ATOM 358 CD GLN A 41 -11.361 -32.106 17.596 1.00 0.00 C ATOM 359 OE1 GLN A 41 -12.212 -31.246 17.689 1.00 0.00 O ATOM 360 NE2 GLN A 41 -11.103 -32.599 16.430 1.00 0.00 N ATOM 0 H GLN A 41 -8.024 -29.727 18.271 1.00 0.00 H new ATOM 0 HA GLN A 41 -7.552 -32.570 19.054 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -9.311 -31.549 20.254 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -9.815 -30.557 18.900 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -10.146 -33.572 18.629 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -11.268 -32.721 19.672 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -10.392 -33.323 16.328 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -11.611 -32.264 15.611 1.00 0.00 H new ATOM 369 N ASP A 42 -8.133 -31.736 16.029 1.00 0.00 N ATOM 370 CA ASP A 42 -8.261 -32.147 14.596 1.00 0.00 C ATOM 371 C ASP A 42 -6.892 -32.487 13.912 1.00 0.00 C ATOM 372 O ASP A 42 -6.730 -33.547 13.329 1.00 0.00 O ATOM 373 CB ASP A 42 -9.004 -30.962 13.950 1.00 0.00 C ATOM 374 CG ASP A 42 -9.370 -31.268 12.508 1.00 0.00 C ATOM 375 OD1 ASP A 42 -8.454 -31.319 11.701 1.00 0.00 O ATOM 376 OD2 ASP A 42 -10.558 -31.425 12.300 1.00 0.00 O ATOM 0 H ASP A 42 -7.906 -30.748 16.142 1.00 0.00 H new ATOM 0 HA ASP A 42 -8.802 -33.086 14.480 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -9.907 -30.741 14.519 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -8.377 -30.071 13.988 1.00 0.00 H new ATOM 381 N LYS A 43 -5.970 -31.568 14.016 1.00 0.00 N ATOM 382 CA LYS A 43 -4.597 -31.756 13.414 1.00 0.00 C ATOM 383 C LYS A 43 -3.582 -31.698 14.597 1.00 0.00 C ATOM 384 O LYS A 43 -2.927 -30.698 14.814 1.00 0.00 O ATOM 385 CB LYS A 43 -4.371 -30.611 12.351 1.00 0.00 C ATOM 386 CG LYS A 43 -4.202 -31.241 10.925 1.00 0.00 C ATOM 387 CD LYS A 43 -2.875 -32.053 10.741 1.00 0.00 C ATOM 388 CE LYS A 43 -1.837 -31.283 9.904 1.00 0.00 C ATOM 389 NZ LYS A 43 -1.281 -30.192 10.731 1.00 0.00 N ATOM 0 H LYS A 43 -6.102 -30.679 14.498 1.00 0.00 H new ATOM 0 HA LYS A 43 -4.474 -32.707 12.896 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.217 -29.923 12.358 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -3.486 -30.030 12.610 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -5.049 -31.898 10.727 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -4.235 -30.445 10.181 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.453 -32.283 11.719 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -3.097 -33.004 10.257 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.042 -31.953 9.577 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -2.301 -30.877 9.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -0.261 -30.102 10.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -1.757 -29.298 10.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -1.433 -30.407 11.737 1.00 0.00 H new ATOM 403 N PRO A 44 -3.494 -32.797 15.330 1.00 0.00 N ATOM 404 CA PRO A 44 -2.633 -32.966 16.547 1.00 0.00 C ATOM 405 C PRO A 44 -1.449 -32.021 16.809 1.00 0.00 C ATOM 406 O PRO A 44 -1.388 -31.379 17.841 1.00 0.00 O ATOM 407 CB PRO A 44 -2.241 -34.439 16.431 1.00 0.00 C ATOM 408 CG PRO A 44 -3.615 -35.059 16.078 1.00 0.00 C ATOM 409 CD PRO A 44 -4.222 -34.079 15.048 1.00 0.00 C ATOM 0 HA PRO A 44 -3.194 -32.673 17.435 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -1.495 -34.611 15.655 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -1.832 -34.835 17.360 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -3.504 -36.059 15.659 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -4.248 -35.152 16.960 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -4.060 -34.418 14.025 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -5.298 -33.969 15.181 1.00 0.00 H new ATOM 417 N GLU A 45 -0.562 -31.965 15.855 1.00 0.00 N ATOM 418 CA GLU A 45 0.660 -31.151 15.941 1.00 0.00 C ATOM 419 C GLU A 45 0.517 -29.685 15.520 1.00 0.00 C ATOM 420 O GLU A 45 1.507 -28.989 15.424 1.00 0.00 O ATOM 421 CB GLU A 45 1.681 -31.933 15.090 1.00 0.00 C ATOM 422 CG GLU A 45 1.184 -32.461 13.660 1.00 0.00 C ATOM 423 CD GLU A 45 0.540 -31.449 12.708 1.00 0.00 C ATOM 424 OE1 GLU A 45 -0.520 -30.961 13.057 1.00 0.00 O ATOM 425 OE2 GLU A 45 1.104 -31.209 11.655 1.00 0.00 O ATOM 0 H GLU A 45 -0.650 -32.481 14.980 1.00 0.00 H new ATOM 0 HA GLU A 45 0.968 -31.029 16.980 1.00 0.00 H new ATOM 0 HB2 GLU A 45 2.550 -31.294 14.932 1.00 0.00 H new ATOM 0 HB3 GLU A 45 2.018 -32.792 15.670 1.00 0.00 H new ATOM 0 HG2 GLU A 45 2.040 -32.902 13.150 1.00 0.00 H new ATOM 0 HG3 GLU A 45 0.466 -33.264 13.831 1.00 0.00 H new ATOM 432 N ALA A 46 -0.680 -29.223 15.280 1.00 0.00 N ATOM 433 CA ALA A 46 -0.863 -27.801 14.860 1.00 0.00 C ATOM 434 C ALA A 46 -0.205 -26.691 15.780 1.00 0.00 C ATOM 435 O ALA A 46 -0.814 -26.138 16.682 1.00 0.00 O ATOM 436 CB ALA A 46 -2.409 -27.618 14.703 1.00 0.00 C ATOM 0 H ALA A 46 -1.540 -29.767 15.356 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.314 -27.637 13.933 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.625 -26.595 14.395 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.783 -28.310 13.949 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.898 -27.821 15.656 1.00 0.00 H new ATOM 442 N GLN A 47 1.044 -26.398 15.509 1.00 0.00 N ATOM 443 CA GLN A 47 1.802 -25.320 16.236 1.00 0.00 C ATOM 444 C GLN A 47 1.274 -24.012 15.607 1.00 0.00 C ATOM 445 O GLN A 47 1.905 -23.283 14.876 1.00 0.00 O ATOM 446 CB GLN A 47 3.334 -25.610 15.996 1.00 0.00 C ATOM 447 CG GLN A 47 4.242 -24.307 15.846 1.00 0.00 C ATOM 448 CD GLN A 47 4.575 -23.931 14.382 1.00 0.00 C ATOM 449 OE1 GLN A 47 5.167 -22.909 14.106 1.00 0.00 O ATOM 450 NE2 GLN A 47 4.246 -24.698 13.392 1.00 0.00 N ATOM 0 H GLN A 47 1.590 -26.875 14.791 1.00 0.00 H new ATOM 0 HA GLN A 47 1.672 -25.265 17.317 1.00 0.00 H new ATOM 0 HB2 GLN A 47 3.712 -26.206 16.827 1.00 0.00 H new ATOM 0 HB3 GLN A 47 3.439 -26.215 15.096 1.00 0.00 H new ATOM 0 HG2 GLN A 47 3.733 -23.467 16.318 1.00 0.00 H new ATOM 0 HG3 GLN A 47 5.173 -24.462 16.390 1.00 0.00 H new ATOM 0 HE21 GLN A 47 3.747 -25.570 13.567 1.00 0.00 H new ATOM 0 HE22 GLN A 47 4.486 -24.430 12.438 1.00 0.00 H new ATOM 459 N ILE A 48 0.049 -23.757 15.952 1.00 0.00 N ATOM 460 CA ILE A 48 -0.715 -22.599 15.392 1.00 0.00 C ATOM 461 C ILE A 48 -0.339 -21.208 15.911 1.00 0.00 C ATOM 462 O ILE A 48 0.032 -21.009 17.051 1.00 0.00 O ATOM 463 CB ILE A 48 -2.152 -22.902 15.671 1.00 0.00 C ATOM 464 CG1 ILE A 48 -2.543 -24.217 14.979 1.00 0.00 C ATOM 465 CG2 ILE A 48 -3.092 -21.753 15.259 1.00 0.00 C ATOM 466 CD1 ILE A 48 -3.805 -24.773 15.573 1.00 0.00 C ATOM 0 H ILE A 48 -0.478 -24.319 16.621 1.00 0.00 H new ATOM 0 HA ILE A 48 -0.473 -22.518 14.332 1.00 0.00 H new ATOM 0 HB ILE A 48 -2.267 -23.012 16.749 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -2.682 -24.045 13.912 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -1.736 -24.942 15.082 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -4.123 -22.027 15.484 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -2.828 -20.851 15.811 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -2.992 -21.566 14.190 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -4.065 -25.704 15.069 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -3.653 -24.965 16.635 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -4.614 -24.054 15.446 1.00 0.00 H new ATOM 478 N ILE A 49 -0.488 -20.261 15.031 1.00 0.00 N ATOM 479 CA ILE A 49 -0.134 -18.840 15.330 1.00 0.00 C ATOM 480 C ILE A 49 -1.331 -17.867 15.152 1.00 0.00 C ATOM 481 O ILE A 49 -2.235 -18.100 14.371 1.00 0.00 O ATOM 482 CB ILE A 49 1.059 -18.466 14.404 1.00 0.00 C ATOM 483 CG1 ILE A 49 2.462 -18.780 15.017 1.00 0.00 C ATOM 484 CG2 ILE A 49 1.040 -16.975 14.010 1.00 0.00 C ATOM 485 CD1 ILE A 49 2.755 -20.288 15.247 1.00 0.00 C ATOM 0 H ILE A 49 -0.850 -20.413 14.090 1.00 0.00 H new ATOM 0 HA ILE A 49 0.144 -18.743 16.380 1.00 0.00 H new ATOM 0 HB ILE A 49 0.917 -19.096 13.526 1.00 0.00 H new ATOM 0 HG12 ILE A 49 3.229 -18.373 14.358 1.00 0.00 H new ATOM 0 HG13 ILE A 49 2.550 -18.259 15.970 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.891 -16.759 13.364 1.00 0.00 H new ATOM 0 HG22 ILE A 49 0.115 -16.751 13.479 1.00 0.00 H new ATOM 0 HG23 ILE A 49 1.101 -16.361 14.908 1.00 0.00 H new ATOM 0 HD11 ILE A 49 3.751 -20.404 15.675 1.00 0.00 H new ATOM 0 HD12 ILE A 49 2.015 -20.702 15.932 1.00 0.00 H new ATOM 0 HD13 ILE A 49 2.705 -20.818 14.296 1.00 0.00 H new ATOM 497 N VAL A 50 -1.237 -16.804 15.906 1.00 0.00 N ATOM 498 CA VAL A 50 -2.223 -15.679 15.928 1.00 0.00 C ATOM 499 C VAL A 50 -1.849 -14.514 14.977 1.00 0.00 C ATOM 500 O VAL A 50 -0.781 -13.936 15.082 1.00 0.00 O ATOM 501 CB VAL A 50 -2.306 -15.193 17.391 1.00 0.00 C ATOM 502 CG1 VAL A 50 -0.903 -14.878 17.983 1.00 0.00 C ATOM 503 CG2 VAL A 50 -3.109 -13.870 17.454 1.00 0.00 C ATOM 0 H VAL A 50 -0.461 -16.662 16.552 1.00 0.00 H new ATOM 0 HA VAL A 50 -3.186 -16.037 15.565 1.00 0.00 H new ATOM 0 HB VAL A 50 -2.779 -15.994 17.959 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -1.011 -14.540 19.014 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -0.288 -15.777 17.959 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -0.426 -14.096 17.392 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.167 -13.528 18.487 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.611 -13.113 16.849 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.116 -14.037 17.070 1.00 0.00 H new ATOM 513 N LEU A 51 -2.746 -14.205 14.064 1.00 0.00 N ATOM 514 CA LEU A 51 -2.491 -13.075 13.111 1.00 0.00 C ATOM 515 C LEU A 51 -3.777 -12.225 12.961 1.00 0.00 C ATOM 516 O LEU A 51 -4.857 -12.786 12.923 1.00 0.00 O ATOM 517 CB LEU A 51 -2.118 -13.622 11.737 1.00 0.00 C ATOM 518 CG LEU A 51 -0.859 -14.504 11.684 1.00 0.00 C ATOM 519 CD1 LEU A 51 -1.285 -15.948 11.309 1.00 0.00 C ATOM 520 CD2 LEU A 51 0.118 -13.913 10.616 1.00 0.00 C ATOM 0 H LEU A 51 -3.638 -14.684 13.939 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.675 -12.467 13.502 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.960 -14.201 11.357 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.977 -12.781 11.058 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.352 -14.526 12.649 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.404 -16.588 11.267 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.976 -16.330 12.061 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.776 -15.941 10.336 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.017 -14.527 10.566 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.370 -13.904 9.642 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.389 -12.895 10.895 1.00 0.00 H new ATOM 532 N PRO A 52 -3.684 -10.920 12.867 1.00 0.00 N ATOM 533 CA PRO A 52 -4.897 -10.064 12.692 1.00 0.00 C ATOM 534 C PRO A 52 -5.314 -10.091 11.205 1.00 0.00 C ATOM 535 O PRO A 52 -4.475 -10.061 10.328 1.00 0.00 O ATOM 536 CB PRO A 52 -4.422 -8.711 13.204 1.00 0.00 C ATOM 537 CG PRO A 52 -2.961 -8.666 12.681 1.00 0.00 C ATOM 538 CD PRO A 52 -2.430 -10.109 12.936 1.00 0.00 C ATOM 0 HA PRO A 52 -5.793 -10.378 13.227 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -5.022 -7.891 12.810 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -4.469 -8.646 14.291 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -2.923 -8.407 11.623 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -2.368 -7.922 13.213 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -1.704 -10.415 12.183 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -1.940 -10.198 13.906 1.00 0.00 H new ATOM 546 N VAL A 53 -6.582 -10.158 10.931 1.00 0.00 N ATOM 547 CA VAL A 53 -7.055 -10.190 9.514 1.00 0.00 C ATOM 548 C VAL A 53 -6.375 -9.211 8.576 1.00 0.00 C ATOM 549 O VAL A 53 -6.296 -8.023 8.813 1.00 0.00 O ATOM 550 CB VAL A 53 -8.553 -10.004 9.557 1.00 0.00 C ATOM 551 CG1 VAL A 53 -9.098 -9.698 8.143 1.00 0.00 C ATOM 552 CG2 VAL A 53 -9.101 -11.383 9.958 1.00 0.00 C ATOM 0 H VAL A 53 -7.323 -10.193 11.631 1.00 0.00 H new ATOM 0 HA VAL A 53 -6.779 -11.150 9.078 1.00 0.00 H new ATOM 0 HB VAL A 53 -8.832 -9.193 10.230 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -10.179 -9.567 8.190 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -8.638 -8.785 7.765 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -8.862 -10.526 7.475 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -10.189 -11.340 10.014 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -8.805 -12.123 9.214 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -8.699 -11.666 10.931 1.00 0.00 H new ATOM 562 N GLY A 54 -5.913 -9.818 7.513 1.00 0.00 N ATOM 563 CA GLY A 54 -5.127 -9.061 6.451 1.00 0.00 C ATOM 564 C GLY A 54 -3.642 -9.483 6.287 1.00 0.00 C ATOM 565 O GLY A 54 -3.109 -9.473 5.197 1.00 0.00 O ATOM 0 H GLY A 54 -6.039 -10.812 7.320 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -5.630 -9.188 5.493 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -5.160 -7.998 6.689 1.00 0.00 H new ATOM 569 N THR A 55 -3.011 -9.843 7.374 1.00 0.00 N ATOM 570 CA THR A 55 -1.583 -10.294 7.429 1.00 0.00 C ATOM 571 C THR A 55 -1.233 -11.298 6.313 1.00 0.00 C ATOM 572 O THR A 55 -1.569 -12.458 6.411 1.00 0.00 O ATOM 573 CB THR A 55 -1.494 -10.851 8.771 1.00 0.00 C ATOM 574 OG1 THR A 55 -1.920 -9.822 9.662 1.00 0.00 O ATOM 575 CG2 THR A 55 -0.216 -11.036 9.330 1.00 0.00 C ATOM 0 H THR A 55 -3.461 -9.842 8.289 1.00 0.00 H new ATOM 0 HA THR A 55 -0.860 -9.497 7.254 1.00 0.00 H new ATOM 0 HB THR A 55 -2.027 -11.797 8.674 1.00 0.00 H new ATOM 0 HG1 THR A 55 -2.692 -10.135 10.179 1.00 0.00 H new ATOM 0 HG21 THR A 55 -0.314 -11.457 10.330 1.00 0.00 H new ATOM 0 HG22 THR A 55 0.360 -11.718 8.704 1.00 0.00 H new ATOM 0 HG23 THR A 55 0.298 -10.076 9.389 1.00 0.00 H new ATOM 583 N ILE A 56 -0.570 -10.840 5.281 1.00 0.00 N ATOM 584 CA ILE A 56 -0.197 -11.742 4.123 1.00 0.00 C ATOM 585 C ILE A 56 0.531 -13.002 4.603 1.00 0.00 C ATOM 586 O ILE A 56 1.678 -12.982 5.006 1.00 0.00 O ATOM 587 CB ILE A 56 0.711 -10.967 3.145 1.00 0.00 C ATOM 588 CG1 ILE A 56 -0.037 -9.728 2.620 1.00 0.00 C ATOM 589 CG2 ILE A 56 1.156 -11.878 1.967 1.00 0.00 C ATOM 590 CD1 ILE A 56 -1.294 -10.071 1.790 1.00 0.00 C ATOM 0 H ILE A 56 -0.264 -9.872 5.181 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.115 -12.052 3.624 1.00 0.00 H new ATOM 0 HB ILE A 56 1.608 -10.644 3.674 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.329 -9.105 3.465 1.00 0.00 H new ATOM 0 HG13 ILE A 56 0.643 -9.136 2.007 1.00 0.00 H new ATOM 0 HG21 ILE A 56 1.795 -11.311 1.290 1.00 0.00 H new ATOM 0 HG22 ILE A 56 1.708 -12.733 2.357 1.00 0.00 H new ATOM 0 HG23 ILE A 56 0.277 -12.230 1.427 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -1.770 -9.150 1.453 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -1.007 -10.669 0.925 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -1.993 -10.637 2.406 1.00 0.00 H new ATOM 602 N VAL A 57 -0.209 -14.066 4.537 1.00 0.00 N ATOM 603 CA VAL A 57 0.327 -15.387 5.018 1.00 0.00 C ATOM 604 C VAL A 57 0.626 -16.517 4.037 1.00 0.00 C ATOM 605 O VAL A 57 1.589 -16.465 3.296 1.00 0.00 O ATOM 606 CB VAL A 57 -0.642 -15.962 6.132 1.00 0.00 C ATOM 607 CG1 VAL A 57 -0.267 -15.262 7.453 1.00 0.00 C ATOM 608 CG2 VAL A 57 -2.134 -15.657 5.785 1.00 0.00 C ATOM 0 H VAL A 57 -1.162 -14.091 4.173 1.00 0.00 H new ATOM 0 HA VAL A 57 1.323 -15.096 5.353 1.00 0.00 H new ATOM 0 HB VAL A 57 -0.535 -17.044 6.205 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -0.910 -15.627 8.254 1.00 0.00 H new ATOM 0 HG12 VAL A 57 0.773 -15.478 7.697 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -0.398 -14.185 7.344 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.779 -16.062 6.565 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -2.279 -14.579 5.718 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -2.387 -16.117 4.830 1.00 0.00 H new ATOM 618 N THR A 58 -0.216 -17.509 4.055 1.00 0.00 N ATOM 619 CA THR A 58 0.001 -18.724 3.284 1.00 0.00 C ATOM 620 C THR A 58 0.195 -18.732 1.785 1.00 0.00 C ATOM 621 O THR A 58 -0.673 -18.896 0.956 1.00 0.00 O ATOM 622 CB THR A 58 -1.117 -19.686 3.680 1.00 0.00 C ATOM 623 OG1 THR A 58 -1.920 -19.198 4.754 1.00 0.00 O ATOM 624 CG2 THR A 58 -0.464 -20.956 4.175 1.00 0.00 C ATOM 0 H THR A 58 -1.077 -17.510 4.602 1.00 0.00 H new ATOM 0 HA THR A 58 1.021 -18.994 3.558 1.00 0.00 H new ATOM 0 HB THR A 58 -1.756 -19.826 2.808 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.619 -19.852 4.963 1.00 0.00 H new ATOM 0 HG21 THR A 58 -1.233 -21.670 4.468 1.00 0.00 H new ATOM 0 HG22 THR A 58 0.146 -21.385 3.380 1.00 0.00 H new ATOM 0 HG23 THR A 58 0.167 -20.730 5.034 1.00 0.00 H new ATOM 632 N MET A 59 1.450 -18.513 1.568 1.00 0.00 N ATOM 633 CA MET A 59 2.130 -18.549 0.230 1.00 0.00 C ATOM 634 C MET A 59 2.714 -19.970 0.105 1.00 0.00 C ATOM 635 O MET A 59 2.632 -20.718 -0.847 1.00 0.00 O ATOM 636 CB MET A 59 3.245 -17.454 0.210 1.00 0.00 C ATOM 637 CG MET A 59 2.636 -16.042 0.348 1.00 0.00 C ATOM 638 SD MET A 59 2.343 -15.141 -1.193 1.00 0.00 S ATOM 639 CE MET A 59 3.982 -14.379 -1.350 1.00 0.00 C ATOM 0 H MET A 59 2.095 -18.290 2.326 1.00 0.00 H new ATOM 0 HA MET A 59 1.460 -18.342 -0.605 1.00 0.00 H new ATOM 0 HB2 MET A 59 3.949 -17.632 1.023 1.00 0.00 H new ATOM 0 HB3 MET A 59 3.809 -17.521 -0.720 1.00 0.00 H new ATOM 0 HG2 MET A 59 1.688 -16.129 0.879 1.00 0.00 H new ATOM 0 HG3 MET A 59 3.298 -15.443 0.974 1.00 0.00 H new ATOM 0 HE1 MET A 59 4.015 -13.769 -2.253 1.00 0.00 H new ATOM 0 HE2 MET A 59 4.176 -13.751 -0.481 1.00 0.00 H new ATOM 0 HE3 MET A 59 4.741 -15.159 -1.411 1.00 0.00 H new ATOM 649 N GLU A 60 3.301 -20.145 1.233 1.00 0.00 N ATOM 650 CA GLU A 60 4.057 -21.292 1.795 1.00 0.00 C ATOM 651 C GLU A 60 3.113 -22.368 2.417 1.00 0.00 C ATOM 652 O GLU A 60 1.907 -22.232 2.332 1.00 0.00 O ATOM 653 CB GLU A 60 4.963 -20.596 2.780 1.00 0.00 C ATOM 654 CG GLU A 60 4.116 -20.175 4.063 1.00 0.00 C ATOM 655 CD GLU A 60 4.577 -20.911 5.305 1.00 0.00 C ATOM 656 OE1 GLU A 60 4.409 -22.112 5.399 1.00 0.00 O ATOM 657 OE2 GLU A 60 5.131 -20.235 6.147 1.00 0.00 O ATOM 0 H GLU A 60 3.279 -19.388 1.916 1.00 0.00 H new ATOM 0 HA GLU A 60 4.613 -21.882 1.066 1.00 0.00 H new ATOM 0 HB2 GLU A 60 5.781 -21.256 3.070 1.00 0.00 H new ATOM 0 HB3 GLU A 60 5.412 -19.715 2.320 1.00 0.00 H new ATOM 0 HG2 GLU A 60 4.206 -19.100 4.222 1.00 0.00 H new ATOM 0 HG3 GLU A 60 3.061 -20.384 3.887 1.00 0.00 H new ATOM 664 N TYR A 61 3.658 -23.398 3.023 1.00 0.00 N ATOM 665 CA TYR A 61 2.780 -24.430 3.630 1.00 0.00 C ATOM 666 C TYR A 61 3.490 -25.239 4.722 1.00 0.00 C ATOM 667 O TYR A 61 4.041 -26.294 4.434 1.00 0.00 O ATOM 668 CB TYR A 61 2.303 -25.325 2.490 1.00 0.00 C ATOM 669 CG TYR A 61 1.059 -26.092 2.910 1.00 0.00 C ATOM 670 CD1 TYR A 61 -0.114 -25.389 2.997 1.00 0.00 C ATOM 671 CD2 TYR A 61 1.062 -27.445 3.168 1.00 0.00 C ATOM 672 CE1 TYR A 61 -1.293 -26.020 3.330 1.00 0.00 C ATOM 673 CE2 TYR A 61 -0.125 -28.077 3.501 1.00 0.00 C ATOM 674 CZ TYR A 61 -1.311 -27.370 3.583 1.00 0.00 C ATOM 675 OH TYR A 61 -2.501 -27.992 3.907 1.00 0.00 O ATOM 0 H TYR A 61 4.660 -23.561 3.119 1.00 0.00 H new ATOM 0 HA TYR A 61 1.938 -23.954 4.134 1.00 0.00 H new ATOM 0 HB2 TYR A 61 2.086 -24.720 1.609 1.00 0.00 H new ATOM 0 HB3 TYR A 61 3.092 -26.023 2.211 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -0.115 -24.327 2.802 1.00 0.00 H new ATOM 0 HD2 TYR A 61 1.982 -28.008 3.111 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -2.208 -25.450 3.392 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -0.124 -29.139 3.700 1.00 0.00 H new ATOM 0 HH TYR A 61 -2.479 -28.922 3.598 1.00 0.00 H new ATOM 685 N ARG A 62 3.488 -24.738 5.932 1.00 0.00 N ATOM 686 CA ARG A 62 4.092 -25.570 7.009 1.00 0.00 C ATOM 687 C ARG A 62 2.881 -26.145 7.656 1.00 0.00 C ATOM 688 O ARG A 62 2.324 -25.729 8.650 1.00 0.00 O ATOM 689 CB ARG A 62 4.903 -24.740 8.032 1.00 0.00 C ATOM 690 CG ARG A 62 6.396 -25.169 7.946 1.00 0.00 C ATOM 691 CD ARG A 62 6.907 -25.028 6.506 1.00 0.00 C ATOM 692 NE ARG A 62 6.576 -23.624 6.106 1.00 0.00 N ATOM 693 CZ ARG A 62 7.433 -22.766 5.715 1.00 0.00 C ATOM 694 NH1 ARG A 62 8.599 -22.715 6.219 1.00 0.00 N ATOM 695 NH2 ARG A 62 7.037 -21.983 4.807 1.00 0.00 N ATOM 0 H ARG A 62 3.113 -23.831 6.211 1.00 0.00 H new ATOM 0 HA ARG A 62 4.806 -26.299 6.626 1.00 0.00 H new ATOM 0 HB2 ARG A 62 4.802 -23.675 7.820 1.00 0.00 H new ATOM 0 HB3 ARG A 62 4.520 -24.902 9.040 1.00 0.00 H new ATOM 0 HG2 ARG A 62 6.998 -24.554 8.615 1.00 0.00 H new ATOM 0 HG3 ARG A 62 6.505 -26.201 8.279 1.00 0.00 H new ATOM 0 HD2 ARG A 62 7.980 -25.211 6.450 1.00 0.00 H new ATOM 0 HD3 ARG A 62 6.426 -25.749 5.845 1.00 0.00 H new ATOM 0 HE ARG A 62 5.599 -23.335 6.149 1.00 0.00 H new ATOM 0 HH11 ARG A 62 8.866 -23.370 6.953 1.00 0.00 H new ATOM 0 HH12 ARG A 62 9.267 -22.019 5.889 1.00 0.00 H new ATOM 0 HH21 ARG A 62 6.089 -22.066 4.440 1.00 0.00 H new ATOM 0 HH22 ARG A 62 7.665 -21.268 4.441 1.00 0.00 H new ATOM 709 N ILE A 63 2.495 -27.159 6.964 1.00 0.00 N ATOM 710 CA ILE A 63 1.336 -28.003 7.356 1.00 0.00 C ATOM 711 C ILE A 63 1.209 -28.377 8.871 1.00 0.00 C ATOM 712 O ILE A 63 0.227 -28.958 9.306 1.00 0.00 O ATOM 713 CB ILE A 63 1.478 -29.186 6.369 1.00 0.00 C ATOM 714 CG1 ILE A 63 0.374 -30.202 6.507 1.00 0.00 C ATOM 715 CG2 ILE A 63 2.815 -29.900 6.605 1.00 0.00 C ATOM 716 CD1 ILE A 63 -1.006 -29.565 6.397 1.00 0.00 C ATOM 0 H ILE A 63 2.951 -27.457 6.102 1.00 0.00 H new ATOM 0 HA ILE A 63 0.384 -27.478 7.277 1.00 0.00 H new ATOM 0 HB ILE A 63 1.425 -28.760 5.367 1.00 0.00 H new ATOM 0 HG12 ILE A 63 0.484 -30.964 5.735 1.00 0.00 H new ATOM 0 HG13 ILE A 63 0.464 -30.707 7.469 1.00 0.00 H new ATOM 0 HG21 ILE A 63 2.911 -30.732 5.908 1.00 0.00 H new ATOM 0 HG22 ILE A 63 3.635 -29.199 6.448 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.851 -30.277 7.627 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -1.771 -30.334 6.502 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -1.128 -28.822 7.185 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -1.108 -29.083 5.425 1.00 0.00 H new ATOM 728 N ASP A 64 2.209 -28.013 9.620 1.00 0.00 N ATOM 729 CA ASP A 64 2.261 -28.199 11.088 1.00 0.00 C ATOM 730 C ASP A 64 1.750 -26.909 11.810 1.00 0.00 C ATOM 731 O ASP A 64 1.832 -26.787 13.012 1.00 0.00 O ATOM 732 CB ASP A 64 3.751 -28.544 11.390 1.00 0.00 C ATOM 733 CG ASP A 64 4.686 -27.598 10.629 1.00 0.00 C ATOM 734 OD1 ASP A 64 4.893 -26.535 11.202 1.00 0.00 O ATOM 735 OD2 ASP A 64 5.113 -27.968 9.540 1.00 0.00 O ATOM 0 H ASP A 64 3.044 -27.565 9.242 1.00 0.00 H new ATOM 0 HA ASP A 64 1.613 -28.995 11.455 1.00 0.00 H new ATOM 0 HB2 ASP A 64 3.939 -28.466 12.461 1.00 0.00 H new ATOM 0 HB3 ASP A 64 3.957 -29.576 11.104 1.00 0.00 H new ATOM 740 N ARG A 65 1.237 -25.970 11.053 1.00 0.00 N ATOM 741 CA ARG A 65 0.684 -24.664 11.565 1.00 0.00 C ATOM 742 C ARG A 65 -0.734 -24.256 11.074 1.00 0.00 C ATOM 743 O ARG A 65 -0.985 -24.455 9.907 1.00 0.00 O ATOM 744 CB ARG A 65 1.692 -23.642 11.123 1.00 0.00 C ATOM 745 CG ARG A 65 1.176 -22.173 11.357 1.00 0.00 C ATOM 746 CD ARG A 65 2.181 -21.156 10.830 1.00 0.00 C ATOM 747 NE ARG A 65 2.660 -21.724 9.535 1.00 0.00 N ATOM 748 CZ ARG A 65 3.901 -21.843 9.258 1.00 0.00 C ATOM 749 NH1 ARG A 65 4.730 -22.174 10.169 1.00 0.00 N ATOM 750 NH2 ARG A 65 4.174 -21.613 8.053 1.00 0.00 N ATOM 0 H ARG A 65 1.174 -26.059 10.039 1.00 0.00 H new ATOM 0 HA ARG A 65 0.541 -24.751 12.642 1.00 0.00 H new ATOM 0 HB2 ARG A 65 2.624 -23.791 11.668 1.00 0.00 H new ATOM 0 HB3 ARG A 65 1.915 -23.785 10.066 1.00 0.00 H new ATOM 0 HG2 ARG A 65 0.217 -22.036 10.857 1.00 0.00 H new ATOM 0 HG3 ARG A 65 1.008 -22.007 12.421 1.00 0.00 H new ATOM 0 HD2 ARG A 65 1.717 -20.180 10.686 1.00 0.00 H new ATOM 0 HD3 ARG A 65 3.005 -21.017 11.529 1.00 0.00 H new ATOM 0 HE ARG A 65 1.971 -22.028 8.847 1.00 0.00 H new ATOM 0 HH11 ARG A 65 4.402 -22.344 11.120 1.00 0.00 H new ATOM 0 HH12 ARG A 65 5.721 -22.269 9.947 1.00 0.00 H new ATOM 0 HH21 ARG A 65 3.432 -21.359 7.401 1.00 0.00 H new ATOM 0 HH22 ARG A 65 5.138 -21.681 7.727 1.00 0.00 H new ATOM 764 N VAL A 66 -1.634 -23.687 11.864 1.00 0.00 N ATOM 765 CA VAL A 66 -2.936 -23.212 11.253 1.00 0.00 C ATOM 766 C VAL A 66 -2.904 -21.669 11.324 1.00 0.00 C ATOM 767 O VAL A 66 -2.290 -21.055 12.182 1.00 0.00 O ATOM 768 CB VAL A 66 -4.186 -23.793 12.022 1.00 0.00 C ATOM 769 CG1 VAL A 66 -5.556 -23.622 11.298 1.00 0.00 C ATOM 770 CG2 VAL A 66 -4.125 -25.275 11.998 1.00 0.00 C ATOM 0 H VAL A 66 -1.531 -23.535 12.867 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.033 -23.560 10.225 1.00 0.00 H new ATOM 0 HB VAL A 66 -4.141 -23.277 12.981 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -6.347 -24.054 11.910 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -5.756 -22.562 11.143 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -5.524 -24.130 10.334 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -4.986 -25.683 12.528 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -4.136 -25.623 10.965 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.208 -25.609 12.484 1.00 0.00 H new ATOM 780 N ARG A 67 -3.567 -21.087 10.385 1.00 0.00 N ATOM 781 CA ARG A 67 -3.659 -19.617 10.199 1.00 0.00 C ATOM 782 C ARG A 67 -4.932 -19.123 10.891 1.00 0.00 C ATOM 783 O ARG A 67 -6.029 -19.460 10.468 1.00 0.00 O ATOM 784 CB ARG A 67 -3.683 -19.396 8.669 1.00 0.00 C ATOM 785 CG ARG A 67 -2.595 -18.545 8.019 1.00 0.00 C ATOM 786 CD ARG A 67 -1.141 -18.823 8.354 1.00 0.00 C ATOM 787 NE ARG A 67 -0.986 -18.369 9.754 1.00 0.00 N ATOM 788 CZ ARG A 67 -0.081 -18.773 10.538 1.00 0.00 C ATOM 789 NH1 ARG A 67 -0.395 -19.796 11.207 1.00 0.00 N ATOM 790 NH2 ARG A 67 1.012 -18.098 10.552 1.00 0.00 N ATOM 0 H ARG A 67 -4.091 -21.610 9.683 1.00 0.00 H new ATOM 0 HA ARG A 67 -2.828 -19.062 10.635 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -3.657 -20.378 8.196 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -4.644 -18.947 8.418 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -2.707 -18.638 6.939 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -2.797 -17.504 8.272 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -0.907 -19.883 8.253 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -0.470 -18.283 7.686 1.00 0.00 H new ATOM 0 HE ARG A 67 -1.654 -17.685 10.110 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -1.314 -20.222 11.087 1.00 0.00 H new ATOM 0 HH12 ARG A 67 0.270 -20.197 11.868 1.00 0.00 H new ATOM 0 HH21 ARG A 67 1.115 -17.282 9.949 1.00 0.00 H new ATOM 0 HH22 ARG A 67 1.777 -18.379 11.166 1.00 0.00 H new ATOM 804 N LEU A 68 -4.724 -18.362 11.938 1.00 0.00 N ATOM 805 CA LEU A 68 -5.850 -17.768 12.692 1.00 0.00 C ATOM 806 C LEU A 68 -5.978 -16.282 12.333 1.00 0.00 C ATOM 807 O LEU A 68 -5.404 -15.440 12.998 1.00 0.00 O ATOM 808 CB LEU A 68 -5.599 -17.898 14.223 1.00 0.00 C ATOM 809 CG LEU A 68 -5.614 -19.348 14.720 1.00 0.00 C ATOM 810 CD1 LEU A 68 -5.179 -19.343 16.189 1.00 0.00 C ATOM 811 CD2 LEU A 68 -7.057 -19.832 14.744 1.00 0.00 C ATOM 0 H LEU A 68 -3.800 -18.129 12.301 1.00 0.00 H new ATOM 0 HA LEU A 68 -6.767 -18.297 12.430 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.636 -17.448 14.466 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -6.360 -17.330 14.758 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.976 -19.964 14.086 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -5.180 -20.363 16.572 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.175 -18.926 16.270 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -5.872 -18.736 16.772 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -7.089 -20.863 15.095 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -7.641 -19.202 15.415 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -7.476 -19.778 13.739 1.00 0.00 H new ATOM 823 N PHE A 69 -6.683 -16.029 11.258 1.00 0.00 N ATOM 824 CA PHE A 69 -7.029 -14.614 10.929 1.00 0.00 C ATOM 825 C PHE A 69 -8.275 -14.186 11.708 1.00 0.00 C ATOM 826 O PHE A 69 -9.447 -14.396 11.411 1.00 0.00 O ATOM 827 CB PHE A 69 -7.173 -14.512 9.338 1.00 0.00 C ATOM 828 CG PHE A 69 -5.721 -14.376 9.085 1.00 0.00 C ATOM 829 CD1 PHE A 69 -5.210 -13.180 9.504 1.00 0.00 C ATOM 830 CD2 PHE A 69 -4.919 -15.346 8.570 1.00 0.00 C ATOM 831 CE1 PHE A 69 -3.889 -12.941 9.422 1.00 0.00 C ATOM 832 CE2 PHE A 69 -3.608 -15.086 8.495 1.00 0.00 C ATOM 833 CZ PHE A 69 -3.069 -13.926 8.896 1.00 0.00 C ATOM 0 H PHE A 69 -7.029 -16.730 10.603 1.00 0.00 H new ATOM 0 HA PHE A 69 -6.251 -13.915 11.235 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -7.616 -15.397 8.881 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -7.758 -13.654 9.005 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -5.870 -12.423 9.903 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -5.324 -16.289 8.235 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -3.476 -12.002 9.759 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -2.954 -15.846 8.093 1.00 0.00 H new ATOM 0 HZ PHE A 69 -2.005 -13.761 8.810 1.00 0.00 H new ATOM 843 N VAL A 70 -7.834 -13.545 12.758 1.00 0.00 N ATOM 844 CA VAL A 70 -8.764 -13.047 13.817 1.00 0.00 C ATOM 845 C VAL A 70 -8.934 -11.543 13.673 1.00 0.00 C ATOM 846 O VAL A 70 -8.265 -10.914 12.883 1.00 0.00 O ATOM 847 CB VAL A 70 -8.170 -13.349 15.204 1.00 0.00 C ATOM 848 CG1 VAL A 70 -7.697 -14.779 15.309 1.00 0.00 C ATOM 849 CG2 VAL A 70 -6.916 -12.503 15.467 1.00 0.00 C ATOM 0 H VAL A 70 -6.850 -13.341 12.930 1.00 0.00 H new ATOM 0 HA VAL A 70 -9.729 -13.542 13.711 1.00 0.00 H new ATOM 0 HB VAL A 70 -8.969 -13.134 15.914 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -7.284 -14.954 16.303 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -8.537 -15.453 15.141 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -6.928 -14.964 14.559 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -6.519 -12.738 16.454 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -6.163 -12.724 14.711 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -7.175 -11.445 15.423 1.00 0.00 H new ATOM 859 N ASP A 71 -9.796 -10.956 14.433 1.00 0.00 N ATOM 860 CA ASP A 71 -9.963 -9.493 14.305 1.00 0.00 C ATOM 861 C ASP A 71 -9.192 -8.803 15.411 1.00 0.00 C ATOM 862 O ASP A 71 -8.167 -9.240 15.907 1.00 0.00 O ATOM 863 CB ASP A 71 -11.447 -9.191 14.400 1.00 0.00 C ATOM 864 CG ASP A 71 -11.961 -9.257 15.826 1.00 0.00 C ATOM 865 OD1 ASP A 71 -11.526 -10.141 16.558 1.00 0.00 O ATOM 866 OD2 ASP A 71 -12.763 -8.371 16.046 1.00 0.00 O ATOM 0 H ASP A 71 -10.385 -11.414 15.128 1.00 0.00 H new ATOM 0 HA ASP A 71 -9.577 -9.130 13.352 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -11.640 -8.198 13.993 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -12.000 -9.901 13.784 1.00 0.00 H new ATOM 871 N LYS A 72 -9.766 -7.696 15.764 1.00 0.00 N ATOM 872 CA LYS A 72 -9.121 -6.898 16.854 1.00 0.00 C ATOM 873 C LYS A 72 -9.703 -7.175 18.246 1.00 0.00 C ATOM 874 O LYS A 72 -9.537 -6.460 19.217 1.00 0.00 O ATOM 875 CB LYS A 72 -9.216 -5.415 16.508 1.00 0.00 C ATOM 876 CG LYS A 72 -7.851 -4.690 16.845 1.00 0.00 C ATOM 877 CD LYS A 72 -7.346 -4.836 18.339 1.00 0.00 C ATOM 878 CE LYS A 72 -6.510 -6.133 18.646 1.00 0.00 C ATOM 879 NZ LYS A 72 -7.076 -6.821 19.854 1.00 0.00 N ATOM 0 H LYS A 72 -10.623 -7.311 15.368 1.00 0.00 H new ATOM 0 HA LYS A 72 -8.077 -7.207 16.911 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -9.449 -5.295 15.450 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -10.030 -4.954 17.068 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -7.080 -5.080 16.181 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -7.959 -3.629 16.620 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -6.738 -3.966 18.586 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -8.212 -4.818 19.001 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -6.533 -6.805 17.788 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -5.466 -5.873 18.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -7.067 -7.850 19.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -6.500 -6.588 20.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -8.054 -6.503 20.009 1.00 0.00 H new ATOM 893 N LEU A 73 -10.368 -8.269 18.261 1.00 0.00 N ATOM 894 CA LEU A 73 -11.013 -8.842 19.468 1.00 0.00 C ATOM 895 C LEU A 73 -10.610 -10.332 19.426 1.00 0.00 C ATOM 896 O LEU A 73 -11.301 -11.186 19.942 1.00 0.00 O ATOM 897 CB LEU A 73 -12.515 -8.640 19.295 1.00 0.00 C ATOM 898 CG LEU A 73 -12.877 -7.152 19.117 1.00 0.00 C ATOM 899 CD1 LEU A 73 -14.362 -7.042 18.720 1.00 0.00 C ATOM 900 CD2 LEU A 73 -12.700 -6.396 20.450 1.00 0.00 C ATOM 0 H LEU A 73 -10.505 -8.838 17.426 1.00 0.00 H new ATOM 0 HA LEU A 73 -10.725 -8.397 20.420 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -12.860 -9.204 18.428 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -13.038 -9.040 20.164 1.00 0.00 H new ATOM 0 HG LEU A 73 -12.227 -6.725 18.353 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -14.628 -5.993 18.592 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -14.529 -7.576 17.784 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -14.981 -7.480 19.503 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -12.959 -5.346 20.310 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -13.353 -6.833 21.206 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -11.663 -6.473 20.777 1.00 0.00 H new ATOM 912 N ASP A 74 -9.482 -10.542 18.780 1.00 0.00 N ATOM 913 CA ASP A 74 -8.838 -11.851 18.622 1.00 0.00 C ATOM 914 C ASP A 74 -9.815 -13.038 18.513 1.00 0.00 C ATOM 915 O ASP A 74 -9.570 -14.135 18.979 1.00 0.00 O ATOM 916 CB ASP A 74 -7.812 -11.824 19.816 1.00 0.00 C ATOM 917 CG ASP A 74 -7.745 -10.479 20.574 1.00 0.00 C ATOM 918 OD1 ASP A 74 -7.123 -9.575 20.031 1.00 0.00 O ATOM 919 OD2 ASP A 74 -8.316 -10.388 21.639 1.00 0.00 O ATOM 0 H ASP A 74 -8.962 -9.788 18.331 1.00 0.00 H new ATOM 0 HA ASP A 74 -8.334 -12.017 17.670 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -8.075 -12.612 20.522 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -6.820 -12.059 19.431 1.00 0.00 H new ATOM 924 N ASN A 75 -10.903 -12.733 17.857 1.00 0.00 N ATOM 925 CA ASN A 75 -11.983 -13.704 17.551 1.00 0.00 C ATOM 926 C ASN A 75 -11.923 -13.825 16.033 1.00 0.00 C ATOM 927 O ASN A 75 -11.479 -12.928 15.346 1.00 0.00 O ATOM 928 CB ASN A 75 -13.341 -13.143 18.055 1.00 0.00 C ATOM 929 CG ASN A 75 -13.429 -13.300 19.559 1.00 0.00 C ATOM 930 OD1 ASN A 75 -13.182 -14.325 20.160 1.00 0.00 O ATOM 931 ND2 ASN A 75 -13.801 -12.274 20.229 1.00 0.00 N ATOM 0 H ASN A 75 -11.091 -11.795 17.504 1.00 0.00 H new ATOM 0 HA ASN A 75 -11.872 -14.675 18.034 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -13.435 -12.092 17.783 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -14.165 -13.671 17.575 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -13.884 -12.330 21.244 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -14.014 -11.400 19.748 1.00 0.00 H new ATOM 938 N ILE A 76 -12.384 -14.941 15.573 1.00 0.00 N ATOM 939 CA ILE A 76 -12.314 -15.288 14.155 1.00 0.00 C ATOM 940 C ILE A 76 -13.332 -14.635 13.286 1.00 0.00 C ATOM 941 O ILE A 76 -14.542 -14.769 13.360 1.00 0.00 O ATOM 942 CB ILE A 76 -12.362 -16.788 14.102 1.00 0.00 C ATOM 943 CG1 ILE A 76 -10.974 -17.050 14.752 1.00 0.00 C ATOM 944 CG2 ILE A 76 -12.407 -17.238 12.593 1.00 0.00 C ATOM 945 CD1 ILE A 76 -10.787 -18.451 14.931 1.00 0.00 C ATOM 0 H ILE A 76 -12.825 -15.653 16.155 1.00 0.00 H new ATOM 0 HA ILE A 76 -11.390 -14.897 13.730 1.00 0.00 H new ATOM 0 HB ILE A 76 -13.201 -17.298 14.575 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -10.183 -16.645 14.121 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -10.908 -16.538 15.712 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -12.442 -18.326 12.539 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -13.294 -16.822 12.116 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -11.516 -16.878 12.079 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -9.814 -18.633 15.387 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -11.570 -18.843 15.580 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -10.834 -18.951 13.963 1.00 0.00 H new ATOM 957 N ALA A 77 -12.624 -13.962 12.439 1.00 0.00 N ATOM 958 CA ALA A 77 -13.116 -13.032 11.437 1.00 0.00 C ATOM 959 C ALA A 77 -13.218 -13.699 10.033 1.00 0.00 C ATOM 960 O ALA A 77 -14.203 -13.559 9.337 1.00 0.00 O ATOM 961 CB ALA A 77 -12.066 -11.942 11.790 1.00 0.00 C ATOM 0 H ALA A 77 -11.608 -14.044 12.416 1.00 0.00 H new ATOM 0 HA ALA A 77 -14.133 -12.639 11.420 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -12.213 -11.074 11.148 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -12.185 -11.647 12.832 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -11.063 -12.340 11.638 1.00 0.00 H new ATOM 967 N GLN A 78 -12.195 -14.411 9.666 1.00 0.00 N ATOM 968 CA GLN A 78 -12.191 -15.138 8.329 1.00 0.00 C ATOM 969 C GLN A 78 -12.087 -16.634 8.714 1.00 0.00 C ATOM 970 O GLN A 78 -11.674 -16.896 9.829 1.00 0.00 O ATOM 971 CB GLN A 78 -10.961 -14.623 7.503 1.00 0.00 C ATOM 972 CG GLN A 78 -11.345 -14.312 5.984 1.00 0.00 C ATOM 973 CD GLN A 78 -11.253 -15.516 5.034 1.00 0.00 C ATOM 974 OE1 GLN A 78 -10.465 -16.427 5.178 1.00 0.00 O ATOM 975 NE2 GLN A 78 -12.032 -15.595 4.007 1.00 0.00 N ATOM 0 H GLN A 78 -11.349 -14.534 10.222 1.00 0.00 H new ATOM 0 HA GLN A 78 -13.070 -14.972 7.707 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -10.565 -13.721 7.968 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -10.168 -15.370 7.530 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -12.362 -13.921 5.954 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -10.690 -13.524 5.613 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -12.717 -14.861 3.829 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -11.962 -16.392 3.374 1.00 0.00 H new ATOM 984 N VAL A 79 -12.419 -17.607 7.893 1.00 0.00 N ATOM 985 CA VAL A 79 -12.259 -18.987 8.479 1.00 0.00 C ATOM 986 C VAL A 79 -10.754 -19.344 8.612 1.00 0.00 C ATOM 987 O VAL A 79 -9.949 -18.937 7.796 1.00 0.00 O ATOM 988 CB VAL A 79 -12.999 -20.045 7.576 1.00 0.00 C ATOM 989 CG1 VAL A 79 -12.808 -21.462 8.164 1.00 0.00 C ATOM 990 CG2 VAL A 79 -14.488 -19.832 7.770 1.00 0.00 C ATOM 0 H VAL A 79 -12.761 -17.529 6.935 1.00 0.00 H new ATOM 0 HA VAL A 79 -12.706 -19.003 9.473 1.00 0.00 H new ATOM 0 HB VAL A 79 -12.632 -19.946 6.554 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -13.322 -22.189 7.535 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -11.745 -21.701 8.200 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -13.222 -21.497 9.172 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -15.040 -20.547 7.160 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -14.743 -19.978 8.820 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -14.753 -18.818 7.470 1.00 0.00 H new ATOM 1000 N PRO A 80 -10.390 -20.098 9.625 1.00 0.00 N ATOM 1001 CA PRO A 80 -8.962 -20.486 9.863 1.00 0.00 C ATOM 1002 C PRO A 80 -8.574 -21.653 8.914 1.00 0.00 C ATOM 1003 O PRO A 80 -9.453 -22.346 8.437 1.00 0.00 O ATOM 1004 CB PRO A 80 -8.938 -20.840 11.363 1.00 0.00 C ATOM 1005 CG PRO A 80 -10.341 -20.373 11.870 1.00 0.00 C ATOM 1006 CD PRO A 80 -11.255 -20.671 10.693 1.00 0.00 C ATOM 0 HA PRO A 80 -8.226 -19.712 9.645 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -8.789 -21.908 11.521 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -8.131 -20.325 11.884 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -10.647 -20.916 12.764 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -10.345 -19.313 12.124 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -11.449 -21.736 10.561 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -12.224 -20.178 10.769 1.00 0.00 H new ATOM 1014 N ARG A 81 -7.302 -21.863 8.665 1.00 0.00 N ATOM 1015 CA ARG A 81 -6.866 -22.941 7.686 1.00 0.00 C ATOM 1016 C ARG A 81 -5.401 -23.377 7.860 1.00 0.00 C ATOM 1017 O ARG A 81 -4.670 -22.636 8.473 1.00 0.00 O ATOM 1018 CB ARG A 81 -7.081 -22.430 6.253 1.00 0.00 C ATOM 1019 CG ARG A 81 -6.360 -21.111 6.191 1.00 0.00 C ATOM 1020 CD ARG A 81 -6.462 -20.461 4.833 1.00 0.00 C ATOM 1021 NE ARG A 81 -7.921 -20.327 4.515 1.00 0.00 N ATOM 1022 CZ ARG A 81 -8.544 -19.210 4.494 1.00 0.00 C ATOM 1023 NH1 ARG A 81 -8.959 -18.695 5.566 1.00 0.00 N ATOM 1024 NH2 ARG A 81 -8.762 -18.605 3.410 1.00 0.00 N ATOM 0 H ARG A 81 -6.538 -21.340 9.092 1.00 0.00 H new ATOM 0 HA ARG A 81 -7.476 -23.821 7.890 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -6.681 -23.132 5.521 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -8.142 -22.309 6.033 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -6.772 -20.439 6.944 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -5.310 -21.262 6.440 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -5.978 -19.485 4.836 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -5.957 -21.065 4.079 1.00 0.00 H new ATOM 0 HE ARG A 81 -8.447 -21.175 4.303 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -8.799 -19.169 6.455 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -9.455 -17.804 5.545 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -8.440 -19.005 2.529 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -9.261 -17.715 3.414 1.00 0.00 H new ATOM 1038 N VAL A 82 -4.984 -24.503 7.353 1.00 0.00 N ATOM 1039 CA VAL A 82 -3.542 -24.906 7.557 1.00 0.00 C ATOM 1040 C VAL A 82 -2.474 -24.342 6.565 1.00 0.00 C ATOM 1041 O VAL A 82 -2.757 -24.062 5.412 1.00 0.00 O ATOM 1042 CB VAL A 82 -3.483 -26.465 7.557 1.00 0.00 C ATOM 1043 CG1 VAL A 82 -2.173 -26.921 8.210 1.00 0.00 C ATOM 1044 CG2 VAL A 82 -4.579 -27.046 8.395 1.00 0.00 C ATOM 0 H VAL A 82 -5.555 -25.156 6.817 1.00 0.00 H new ATOM 0 HA VAL A 82 -3.255 -24.449 8.504 1.00 0.00 H new ATOM 0 HB VAL A 82 -3.572 -26.794 6.522 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -2.127 -28.010 8.212 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.328 -26.524 7.647 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.131 -26.554 9.235 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -4.513 -28.134 8.377 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -4.478 -26.694 9.422 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -5.545 -26.734 7.998 1.00 0.00 H new ATOM 1054 N GLY A 83 -1.280 -24.211 7.108 1.00 0.00 N ATOM 1055 CA GLY A 83 -0.021 -23.774 6.411 1.00 0.00 C ATOM 1056 C GLY A 83 0.726 -22.607 7.108 1.00 0.00 C ATOM 1057 O GLY A 83 0.132 -21.876 7.877 1.00 0.00 O ATOM 1058 OXT GLY A 83 1.908 -22.482 6.839 1.00 0.00 O ATOM 0 H GLY A 83 -1.121 -24.409 8.096 1.00 0.00 H new ATOM 0 HA2 GLY A 83 0.653 -24.627 6.336 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -0.269 -23.474 5.393 1.00 0.00 H new TER 1062 GLY A 83