USER MOD reduce.3.24.130724 H: found=0, std=0, add=1112, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1108 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 89 THR OG1 : rot -62:sc= 0.554 USER MOD Set 1.2: A 97 CYS SG : rot 132:sc= 0.474 USER MOD Set 2.1: A 18 THR OG1 : rot 113:sc= -3.48! USER MOD Set 2.2: A 29 LYS NZ :NH3+ 149:sc= -8.35! (180deg=-11!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -178:sc= 0 (180deg=-0.00358) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 156:sc= -0.0329 (180deg=-0.91) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -0.435 X(o=-0.43,f=-0.42) USER MOD Single : A 10 GLN : amide:sc=-0.00382 X(o=-0.0038,f=0) USER MOD Single : A 13 THR OG1 : rot -150:sc= -0.439 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -5.43! C(o=-5.4!,f=-9!) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= -3.01! C(o=-3!,f=-1.9!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 172:sc= -4.5! USER MOD Single : A 28 GLN : amide:sc= -5.65! C(o=-5.6!,f=-6.2!) USER MOD Single : A 30 CYS SG : rot 180:sc= -1.71 USER MOD Single : A 32 GLN : amide:sc= -0.0924 K(o=-0.092,f=-1.5!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= -0.479 USER MOD Single : A 40 HIS : no HD1:sc= -0.381 X(o=-0.38,f=-0.54) USER MOD Single : A 48 ASN : amide:sc= -2.83! C(o=-2.8!,f=-5!) USER MOD Single : A 52 THR OG1 : rot -143:sc= -2.65! USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=-0.0058) USER MOD Single : A 57 GLN : amide:sc= -1.73! K(o=-1.7!,f=0.18) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 MET CE :methyl -116:sc= -4.93! (180deg=-8.7!) USER MOD Single : A 61 THR OG1 : rot 56:sc= -0.117! USER MOD Single : A 62 SER OG : rot -170:sc= -1.34 USER MOD Single : A 63 CYS SG : rot 75:sc= -1.06! USER MOD Single : A 65 GLN : amide:sc= -0.015 X(o=-0.015,f=-0.011) USER MOD Single : A 69 SER OG : rot 93:sc= 0.917 USER MOD Single : A 71 GLN : amide:sc= -4.99! C(o=-5!,f=-6.2!) USER MOD Single : A 73 GLN : amide:sc= -5.12! C(o=-5.1!,f=-7.1!) USER MOD Single : A 76 LYS NZ :NH3+ 154:sc= -0.0274 (180deg=-0.321) USER MOD Single : A 79 SER OG : rot 110:sc= -2.26! USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 HIS : no HD1:sc= -19.6! C(o=-20!,f=-19!) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 MET CE :methyl -147:sc= -14.7! (180deg=-20!) USER MOD Single : A 95 GLN : amide:sc= -6.52! C(o=-6.5!,f=-13!) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 GLN : amide:sc= -2.02! C(o=-2!,f=-9.3!) USER MOD Single : A 104 ASN : amide:sc= -3.65 K(o=-3.6,f=-2.7!) USER MOD Single : A 106 LYS NZ :NH3+ -131:sc= -1.58! (180deg=-2.53!) USER MOD Single : A 115 ASN : amide:sc= -24.8! C(o=-25!,f=-31!) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 ASN : amide:sc= -12.7! C(o=-13!,f=-17!) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= -0.112 (180deg=-0.112) USER MOD Single : A 128 TYR OH : rot -148:sc= 1.25 USER MOD Single : A 131 GLN : amide:sc= -6.5! C(o=-6.5!,f=-16!) USER MOD Single : A 133 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 24.980 -4.634 14.542 1.00 0.00 N ATOM 2 CA MET A 1 25.597 -5.875 14.977 1.00 0.00 C ATOM 3 C MET A 1 25.551 -6.929 13.868 1.00 0.00 C ATOM 4 O MET A 1 26.570 -7.535 13.541 1.00 0.00 O ATOM 5 CB MET A 1 24.867 -6.403 16.213 1.00 0.00 C ATOM 6 CG MET A 1 25.732 -7.411 16.973 1.00 0.00 C ATOM 7 SD MET A 1 24.800 -8.125 18.317 1.00 0.00 S ATOM 8 CE MET A 1 26.042 -8.109 19.598 1.00 0.00 C ATOM 0 H1 MET A 1 25.054 -3.925 15.299 1.00 0.00 H new ATOM 0 H2 MET A 1 25.466 -4.284 13.692 1.00 0.00 H new ATOM 0 H3 MET A 1 23.977 -4.803 14.323 1.00 0.00 H new ATOM 0 HA MET A 1 26.641 -5.674 15.219 1.00 0.00 H new ATOM 0 HB2 MET A 1 24.609 -5.572 16.870 1.00 0.00 H new ATOM 0 HB3 MET A 1 23.931 -6.875 15.913 1.00 0.00 H new ATOM 0 HG2 MET A 1 26.069 -8.196 16.296 1.00 0.00 H new ATOM 0 HG3 MET A 1 26.624 -6.918 17.360 1.00 0.00 H new ATOM 0 HE1 MET A 1 25.624 -8.525 20.515 1.00 0.00 H new ATOM 0 HE2 MET A 1 26.896 -8.709 19.284 1.00 0.00 H new ATOM 0 HE3 MET A 1 26.365 -7.084 19.779 1.00 0.00 H new ATOM 18 N SER A 2 24.359 -7.114 13.321 1.00 0.00 N ATOM 19 CA SER A 2 24.167 -8.083 12.255 1.00 0.00 C ATOM 20 C SER A 2 22.826 -7.838 11.560 1.00 0.00 C ATOM 21 O SER A 2 21.905 -7.286 12.159 1.00 0.00 O ATOM 22 CB SER A 2 24.232 -9.514 12.794 1.00 0.00 C ATOM 23 OG SER A 2 23.253 -9.749 13.802 1.00 0.00 O ATOM 0 H SER A 2 23.516 -6.609 13.596 1.00 0.00 H new ATOM 0 HA SER A 2 24.972 -7.959 11.531 1.00 0.00 H new ATOM 0 HB2 SER A 2 24.085 -10.217 11.974 1.00 0.00 H new ATOM 0 HB3 SER A 2 25.225 -9.703 13.202 1.00 0.00 H new ATOM 0 HG SER A 2 23.326 -10.673 14.119 1.00 0.00 H new ATOM 29 N PHE A 3 22.760 -8.261 10.306 1.00 0.00 N ATOM 30 CA PHE A 3 21.547 -8.095 9.524 1.00 0.00 C ATOM 31 C PHE A 3 21.158 -6.618 9.424 1.00 0.00 C ATOM 32 O PHE A 3 20.877 -5.977 10.435 1.00 0.00 O ATOM 33 CB PHE A 3 20.437 -8.855 10.252 1.00 0.00 C ATOM 34 CG PHE A 3 20.207 -10.273 9.727 1.00 0.00 C ATOM 35 CD1 PHE A 3 19.790 -10.466 8.447 1.00 0.00 C ATOM 36 CD2 PHE A 3 20.419 -11.342 10.541 1.00 0.00 C ATOM 37 CE1 PHE A 3 19.576 -11.782 7.960 1.00 0.00 C ATOM 38 CE2 PHE A 3 20.205 -12.659 10.054 1.00 0.00 C ATOM 39 CZ PHE A 3 19.788 -12.851 8.774 1.00 0.00 C ATOM 0 H PHE A 3 23.527 -8.718 9.813 1.00 0.00 H new ATOM 0 HA PHE A 3 21.701 -8.472 8.513 1.00 0.00 H new ATOM 0 HB2 PHE A 3 20.681 -8.907 11.313 1.00 0.00 H new ATOM 0 HB3 PHE A 3 19.508 -8.291 10.166 1.00 0.00 H new ATOM 0 HD1 PHE A 3 19.622 -9.617 7.801 1.00 0.00 H new ATOM 0 HD2 PHE A 3 20.750 -11.189 11.558 1.00 0.00 H new ATOM 0 HE1 PHE A 3 19.245 -11.935 6.943 1.00 0.00 H new ATOM 0 HE2 PHE A 3 20.373 -13.508 10.700 1.00 0.00 H new ATOM 0 HZ PHE A 3 19.625 -13.852 8.404 1.00 0.00 H new ATOM 49 N TRP A 4 21.152 -6.123 8.195 1.00 0.00 N ATOM 50 CA TRP A 4 20.801 -4.734 7.950 1.00 0.00 C ATOM 51 C TRP A 4 19.291 -4.587 8.142 1.00 0.00 C ATOM 52 O TRP A 4 18.831 -3.632 8.766 1.00 0.00 O ATOM 53 CB TRP A 4 21.274 -4.286 6.565 1.00 0.00 C ATOM 54 CG TRP A 4 22.486 -3.353 6.594 1.00 0.00 C ATOM 55 CD1 TRP A 4 22.714 -2.272 5.835 1.00 0.00 C ATOM 56 CD2 TRP A 4 23.635 -3.462 7.461 1.00 0.00 C ATOM 57 NE1 TRP A 4 23.921 -1.680 6.147 1.00 0.00 N ATOM 58 CE2 TRP A 4 24.499 -2.426 7.167 1.00 0.00 C ATOM 59 CE3 TRP A 4 23.935 -4.405 8.459 1.00 0.00 C ATOM 60 CZ2 TRP A 4 25.718 -2.234 7.827 1.00 0.00 C ATOM 61 CZ3 TRP A 4 25.158 -4.199 9.110 1.00 0.00 C ATOM 62 CH2 TRP A 4 26.038 -3.162 8.826 1.00 0.00 C ATOM 0 H TRP A 4 21.384 -6.658 7.359 1.00 0.00 H new ATOM 0 HA TRP A 4 21.307 -4.077 8.658 1.00 0.00 H new ATOM 0 HB2 TRP A 4 21.521 -5.168 5.974 1.00 0.00 H new ATOM 0 HB3 TRP A 4 20.452 -3.782 6.057 1.00 0.00 H new ATOM 0 HD1 TRP A 4 22.038 -1.910 5.075 1.00 0.00 H new ATOM 0 HE1 TRP A 4 24.316 -0.848 5.709 1.00 0.00 H new ATOM 0 HE3 TRP A 4 23.275 -5.224 8.705 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 26.376 -1.415 7.579 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 25.437 -4.895 9.887 1.00 0.00 H new ATOM 0 HH2 TRP A 4 26.965 -3.072 9.373 1.00 0.00 H new ATOM 73 N LYS A 5 18.560 -5.548 7.595 1.00 0.00 N ATOM 74 CA LYS A 5 17.111 -5.537 7.699 1.00 0.00 C ATOM 75 C LYS A 5 16.705 -5.841 9.142 1.00 0.00 C ATOM 76 O LYS A 5 15.882 -5.134 9.721 1.00 0.00 O ATOM 77 CB LYS A 5 16.493 -6.489 6.672 1.00 0.00 C ATOM 78 CG LYS A 5 16.742 -5.994 5.246 1.00 0.00 C ATOM 79 CD LYS A 5 16.121 -4.612 5.029 1.00 0.00 C ATOM 80 CE LYS A 5 14.644 -4.606 5.430 1.00 0.00 C ATOM 81 NZ LYS A 5 14.423 -3.699 6.578 1.00 0.00 N ATOM 0 H LYS A 5 18.945 -6.339 7.079 1.00 0.00 H new ATOM 0 HA LYS A 5 16.719 -4.548 7.459 1.00 0.00 H new ATOM 0 HB2 LYS A 5 16.917 -7.486 6.794 1.00 0.00 H new ATOM 0 HB3 LYS A 5 15.421 -6.574 6.849 1.00 0.00 H new ATOM 0 HG2 LYS A 5 17.814 -5.949 5.055 1.00 0.00 H new ATOM 0 HG3 LYS A 5 16.321 -6.702 4.533 1.00 0.00 H new ATOM 0 HD2 LYS A 5 16.664 -3.870 5.614 1.00 0.00 H new ATOM 0 HD3 LYS A 5 16.218 -4.326 3.982 1.00 0.00 H new ATOM 0 HE2 LYS A 5 14.033 -4.289 4.585 1.00 0.00 H new ATOM 0 HE3 LYS A 5 14.328 -5.616 5.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 13.431 -3.385 6.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 14.635 -4.202 7.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 15.047 -2.871 6.492 1.00 0.00 H new ATOM 95 N THR A 6 17.302 -6.894 9.681 1.00 0.00 N ATOM 96 CA THR A 6 17.013 -7.301 11.046 1.00 0.00 C ATOM 97 C THR A 6 15.589 -6.894 11.433 1.00 0.00 C ATOM 98 O THR A 6 15.361 -5.772 11.883 1.00 0.00 O ATOM 99 CB THR A 6 18.085 -6.699 11.956 1.00 0.00 C ATOM 100 OG1 THR A 6 17.833 -7.290 13.228 1.00 0.00 O ATOM 101 CG2 THR A 6 17.879 -5.201 12.193 1.00 0.00 C ATOM 0 H THR A 6 17.984 -7.478 9.197 1.00 0.00 H new ATOM 0 HA THR A 6 17.048 -8.385 11.152 1.00 0.00 H new ATOM 0 HB THR A 6 19.069 -6.865 11.516 1.00 0.00 H new ATOM 0 HG1 THR A 6 18.485 -6.956 13.879 1.00 0.00 H new ATOM 0 HG21 THR A 6 18.667 -4.824 12.845 1.00 0.00 H new ATOM 0 HG22 THR A 6 17.914 -4.674 11.240 1.00 0.00 H new ATOM 0 HG23 THR A 6 16.909 -5.037 12.663 1.00 0.00 H new ATOM 109 N LEU A 7 14.669 -7.829 11.244 1.00 0.00 N ATOM 110 CA LEU A 7 13.275 -7.582 11.568 1.00 0.00 C ATOM 111 C LEU A 7 12.609 -8.898 11.973 1.00 0.00 C ATOM 112 O LEU A 7 12.833 -9.931 11.343 1.00 0.00 O ATOM 113 CB LEU A 7 12.574 -6.869 10.410 1.00 0.00 C ATOM 114 CG LEU A 7 11.949 -7.773 9.346 1.00 0.00 C ATOM 115 CD1 LEU A 7 10.540 -7.300 8.983 1.00 0.00 C ATOM 116 CD2 LEU A 7 12.853 -7.877 8.116 1.00 0.00 C ATOM 0 H LEU A 7 14.862 -8.758 10.871 1.00 0.00 H new ATOM 0 HA LEU A 7 13.196 -6.908 12.421 1.00 0.00 H new ATOM 0 HB2 LEU A 7 11.792 -6.232 10.822 1.00 0.00 H new ATOM 0 HB3 LEU A 7 13.296 -6.213 9.923 1.00 0.00 H new ATOM 0 HG LEU A 7 11.854 -8.776 9.762 1.00 0.00 H new ATOM 0 HD11 LEU A 7 10.119 -7.960 8.225 1.00 0.00 H new ATOM 0 HD12 LEU A 7 9.909 -7.319 9.872 1.00 0.00 H new ATOM 0 HD13 LEU A 7 10.587 -6.283 8.593 1.00 0.00 H new ATOM 0 HD21 LEU A 7 12.386 -8.525 7.375 1.00 0.00 H new ATOM 0 HD22 LEU A 7 13.001 -6.885 7.689 1.00 0.00 H new ATOM 0 HD23 LEU A 7 13.817 -8.295 8.407 1.00 0.00 H new ATOM 128 N GLN A 8 11.803 -8.819 13.022 1.00 0.00 N ATOM 129 CA GLN A 8 11.104 -9.992 13.519 1.00 0.00 C ATOM 130 C GLN A 8 10.358 -10.688 12.378 1.00 0.00 C ATOM 131 O GLN A 8 9.473 -10.099 11.760 1.00 0.00 O ATOM 132 CB GLN A 8 10.146 -9.620 14.653 1.00 0.00 C ATOM 133 CG GLN A 8 10.143 -10.695 15.742 1.00 0.00 C ATOM 134 CD GLN A 8 11.513 -10.799 16.414 1.00 0.00 C ATOM 135 OE1 GLN A 8 11.986 -9.882 17.065 1.00 0.00 O ATOM 136 NE2 GLN A 8 12.124 -11.965 16.220 1.00 0.00 N ATOM 0 H GLN A 8 11.619 -7.961 13.541 1.00 0.00 H new ATOM 0 HA GLN A 8 11.841 -10.686 13.923 1.00 0.00 H new ATOM 0 HB2 GLN A 8 10.440 -8.662 15.083 1.00 0.00 H new ATOM 0 HB3 GLN A 8 9.138 -9.496 14.257 1.00 0.00 H new ATOM 0 HG2 GLN A 8 9.385 -10.459 16.489 1.00 0.00 H new ATOM 0 HG3 GLN A 8 9.873 -11.657 15.307 1.00 0.00 H new ATOM 0 HE21 GLN A 8 11.672 -12.691 15.664 1.00 0.00 H new ATOM 0 HE22 GLN A 8 13.044 -12.133 16.627 1.00 0.00 H new ATOM 145 N ARG A 9 10.744 -11.932 12.133 1.00 0.00 N ATOM 146 CA ARG A 9 10.124 -12.714 11.078 1.00 0.00 C ATOM 147 C ARG A 9 10.328 -12.033 9.723 1.00 0.00 C ATOM 148 O ARG A 9 9.968 -10.870 9.548 1.00 0.00 O ATOM 149 CB ARG A 9 8.625 -12.890 11.331 1.00 0.00 C ATOM 150 CG ARG A 9 8.376 -13.822 12.520 1.00 0.00 C ATOM 151 CD ARG A 9 8.238 -15.274 12.058 1.00 0.00 C ATOM 152 NE ARG A 9 7.181 -15.955 12.840 1.00 0.00 N ATOM 153 CZ ARG A 9 7.083 -17.284 12.971 1.00 0.00 C ATOM 154 NH1 ARG A 9 7.976 -18.085 12.375 1.00 0.00 N ATOM 155 NH2 ARG A 9 6.090 -17.814 13.700 1.00 0.00 N ATOM 0 H ARG A 9 11.479 -12.417 12.648 1.00 0.00 H new ATOM 0 HA ARG A 9 10.598 -13.696 11.071 1.00 0.00 H new ATOM 0 HB2 ARG A 9 8.168 -11.919 11.523 1.00 0.00 H new ATOM 0 HB3 ARG A 9 8.147 -13.296 10.439 1.00 0.00 H new ATOM 0 HG2 ARG A 9 9.199 -13.739 13.230 1.00 0.00 H new ATOM 0 HG3 ARG A 9 7.471 -13.515 13.044 1.00 0.00 H new ATOM 0 HD2 ARG A 9 7.994 -15.305 10.996 1.00 0.00 H new ATOM 0 HD3 ARG A 9 9.187 -15.796 12.182 1.00 0.00 H new ATOM 0 HE ARG A 9 6.484 -15.376 13.308 1.00 0.00 H new ATOM 0 HH11 ARG A 9 8.732 -17.683 11.821 1.00 0.00 H new ATOM 0 HH12 ARG A 9 7.900 -19.097 12.476 1.00 0.00 H new ATOM 0 HH21 ARG A 9 5.410 -17.205 14.154 1.00 0.00 H new ATOM 0 HH22 ARG A 9 6.015 -18.826 13.800 1.00 0.00 H new ATOM 169 N GLN A 10 10.905 -12.787 8.799 1.00 0.00 N ATOM 170 CA GLN A 10 11.161 -12.271 7.465 1.00 0.00 C ATOM 171 C GLN A 10 9.928 -12.456 6.578 1.00 0.00 C ATOM 172 O GLN A 10 9.356 -13.543 6.523 1.00 0.00 O ATOM 173 CB GLN A 10 12.388 -12.941 6.844 1.00 0.00 C ATOM 174 CG GLN A 10 12.069 -14.373 6.410 1.00 0.00 C ATOM 175 CD GLN A 10 13.350 -15.194 6.242 1.00 0.00 C ATOM 176 OE1 GLN A 10 14.303 -14.781 5.602 1.00 0.00 O ATOM 177 NE2 GLN A 10 13.319 -16.375 6.852 1.00 0.00 N ATOM 0 H GLN A 10 11.203 -13.751 8.948 1.00 0.00 H new ATOM 0 HA GLN A 10 11.371 -11.204 7.544 1.00 0.00 H new ATOM 0 HB2 GLN A 10 12.726 -12.363 5.984 1.00 0.00 H new ATOM 0 HB3 GLN A 10 13.206 -12.949 7.564 1.00 0.00 H new ATOM 0 HG2 GLN A 10 11.424 -14.846 7.151 1.00 0.00 H new ATOM 0 HG3 GLN A 10 11.517 -14.357 5.470 1.00 0.00 H new ATOM 0 HE21 GLN A 10 12.488 -16.659 7.372 1.00 0.00 H new ATOM 0 HE22 GLN A 10 14.126 -16.997 6.800 1.00 0.00 H new ATOM 186 N PRO A 11 9.544 -11.348 5.889 1.00 0.00 N ATOM 187 CA PRO A 11 8.389 -11.377 5.008 1.00 0.00 C ATOM 188 C PRO A 11 8.710 -12.117 3.707 1.00 0.00 C ATOM 189 O PRO A 11 9.858 -12.132 3.264 1.00 0.00 O ATOM 190 CB PRO A 11 8.026 -9.918 4.786 1.00 0.00 C ATOM 191 CG PRO A 11 9.261 -9.118 5.169 1.00 0.00 C ATOM 192 CD PRO A 11 10.198 -10.043 5.930 1.00 0.00 C ATOM 0 HA PRO A 11 7.548 -11.922 5.436 1.00 0.00 H new ATOM 0 HB2 PRO A 11 7.751 -9.738 3.747 1.00 0.00 H new ATOM 0 HB3 PRO A 11 7.170 -9.631 5.397 1.00 0.00 H new ATOM 0 HG2 PRO A 11 9.752 -8.725 4.279 1.00 0.00 H new ATOM 0 HG3 PRO A 11 8.986 -8.262 5.785 1.00 0.00 H new ATOM 0 HD2 PRO A 11 11.183 -10.079 5.465 1.00 0.00 H new ATOM 0 HD3 PRO A 11 10.342 -9.704 6.956 1.00 0.00 H new ATOM 200 N ARG A 12 7.676 -12.714 3.133 1.00 0.00 N ATOM 201 CA ARG A 12 7.833 -13.454 1.893 1.00 0.00 C ATOM 202 C ARG A 12 6.985 -12.823 0.786 1.00 0.00 C ATOM 203 O ARG A 12 7.486 -12.546 -0.303 1.00 0.00 O ATOM 204 CB ARG A 12 7.423 -14.917 2.069 1.00 0.00 C ATOM 205 CG ARG A 12 8.632 -15.789 2.413 1.00 0.00 C ATOM 206 CD ARG A 12 8.192 -17.169 2.905 1.00 0.00 C ATOM 207 NE ARG A 12 9.282 -18.149 2.706 1.00 0.00 N ATOM 208 CZ ARG A 12 9.255 -19.407 3.167 1.00 0.00 C ATOM 209 NH1 ARG A 12 8.193 -19.846 3.856 1.00 0.00 N ATOM 210 NH2 ARG A 12 10.290 -20.227 2.939 1.00 0.00 N ATOM 0 H ARG A 12 6.726 -12.700 3.504 1.00 0.00 H new ATOM 0 HA ARG A 12 8.886 -13.415 1.615 1.00 0.00 H new ATOM 0 HB2 ARG A 12 6.677 -14.996 2.859 1.00 0.00 H new ATOM 0 HB3 ARG A 12 6.957 -15.280 1.153 1.00 0.00 H new ATOM 0 HG2 ARG A 12 9.268 -15.898 1.534 1.00 0.00 H new ATOM 0 HG3 ARG A 12 9.231 -15.299 3.181 1.00 0.00 H new ATOM 0 HD2 ARG A 12 7.925 -17.120 3.961 1.00 0.00 H new ATOM 0 HD3 ARG A 12 7.301 -17.489 2.365 1.00 0.00 H new ATOM 0 HE ARG A 12 10.106 -17.848 2.185 1.00 0.00 H new ATOM 0 HH11 ARG A 12 7.405 -19.223 4.030 1.00 0.00 H new ATOM 0 HH12 ARG A 12 8.173 -20.804 4.207 1.00 0.00 H new ATOM 0 HH21 ARG A 12 11.099 -19.894 2.414 1.00 0.00 H new ATOM 0 HH22 ARG A 12 10.269 -21.184 3.290 1.00 0.00 H new ATOM 224 N THR A 13 5.716 -12.614 1.104 1.00 0.00 N ATOM 225 CA THR A 13 4.794 -12.021 0.151 1.00 0.00 C ATOM 226 C THR A 13 4.491 -10.571 0.533 1.00 0.00 C ATOM 227 O THR A 13 3.878 -10.313 1.567 1.00 0.00 O ATOM 228 CB THR A 13 3.547 -12.905 0.086 1.00 0.00 C ATOM 229 OG1 THR A 13 4.062 -14.218 -0.116 1.00 0.00 O ATOM 230 CG2 THR A 13 2.704 -12.639 -1.163 1.00 0.00 C ATOM 0 H THR A 13 5.305 -12.845 2.008 1.00 0.00 H new ATOM 0 HA THR A 13 5.231 -11.977 -0.846 1.00 0.00 H new ATOM 0 HB THR A 13 2.939 -12.740 0.976 1.00 0.00 H new ATOM 0 HG1 THR A 13 3.414 -14.749 -0.625 1.00 0.00 H new ATOM 0 HG21 THR A 13 1.832 -13.293 -1.159 1.00 0.00 H new ATOM 0 HG22 THR A 13 2.378 -11.599 -1.167 1.00 0.00 H new ATOM 0 HG23 THR A 13 3.301 -12.836 -2.054 1.00 0.00 H new ATOM 238 N ILE A 14 4.936 -9.662 -0.322 1.00 0.00 N ATOM 239 CA ILE A 14 4.721 -8.244 -0.087 1.00 0.00 C ATOM 240 C ILE A 14 3.539 -7.766 -0.932 1.00 0.00 C ATOM 241 O ILE A 14 3.608 -7.767 -2.160 1.00 0.00 O ATOM 242 CB ILE A 14 6.010 -7.458 -0.333 1.00 0.00 C ATOM 243 CG1 ILE A 14 7.231 -8.241 0.155 1.00 0.00 C ATOM 244 CG2 ILE A 14 5.933 -6.066 0.298 1.00 0.00 C ATOM 245 CD1 ILE A 14 7.014 -8.765 1.576 1.00 0.00 C ATOM 0 H ILE A 14 5.445 -9.880 -1.179 1.00 0.00 H new ATOM 0 HA ILE A 14 4.461 -8.066 0.956 1.00 0.00 H new ATOM 0 HB ILE A 14 6.125 -7.318 -1.408 1.00 0.00 H new ATOM 0 HG12 ILE A 14 7.425 -9.076 -0.519 1.00 0.00 H new ATOM 0 HG13 ILE A 14 8.112 -7.600 0.131 1.00 0.00 H new ATOM 0 HG21 ILE A 14 6.862 -5.529 0.108 1.00 0.00 H new ATOM 0 HG22 ILE A 14 5.100 -5.515 -0.137 1.00 0.00 H new ATOM 0 HG23 ILE A 14 5.782 -6.162 1.373 1.00 0.00 H new ATOM 0 HD11 ILE A 14 7.896 -9.318 1.899 1.00 0.00 H new ATOM 0 HD12 ILE A 14 6.844 -7.926 2.251 1.00 0.00 H new ATOM 0 HD13 ILE A 14 6.147 -9.425 1.592 1.00 0.00 H new ATOM 257 N SER A 15 2.481 -7.368 -0.241 1.00 0.00 N ATOM 258 CA SER A 15 1.285 -6.887 -0.912 1.00 0.00 C ATOM 259 C SER A 15 1.271 -5.358 -0.924 1.00 0.00 C ATOM 260 O SER A 15 1.009 -4.727 0.099 1.00 0.00 O ATOM 261 CB SER A 15 0.021 -7.425 -0.238 1.00 0.00 C ATOM 262 OG SER A 15 -0.799 -8.156 -1.145 1.00 0.00 O ATOM 0 H SER A 15 2.427 -7.369 0.778 1.00 0.00 H new ATOM 0 HA SER A 15 1.299 -7.251 -1.939 1.00 0.00 H new ATOM 0 HB2 SER A 15 0.301 -8.068 0.596 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.550 -6.594 0.177 1.00 0.00 H new ATOM 0 HG SER A 15 -1.594 -8.484 -0.676 1.00 0.00 H new ATOM 268 N LEU A 16 1.555 -4.804 -2.094 1.00 0.00 N ATOM 269 CA LEU A 16 1.578 -3.360 -2.253 1.00 0.00 C ATOM 270 C LEU A 16 0.426 -2.934 -3.165 1.00 0.00 C ATOM 271 O LEU A 16 0.049 -3.666 -4.079 1.00 0.00 O ATOM 272 CB LEU A 16 2.953 -2.897 -2.741 1.00 0.00 C ATOM 273 CG LEU A 16 4.054 -2.835 -1.681 1.00 0.00 C ATOM 274 CD1 LEU A 16 4.145 -1.437 -1.065 1.00 0.00 C ATOM 275 CD2 LEU A 16 3.854 -3.917 -0.618 1.00 0.00 C ATOM 0 H LEU A 16 1.771 -5.330 -2.941 1.00 0.00 H new ATOM 0 HA LEU A 16 1.424 -2.868 -1.293 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.279 -3.567 -3.536 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.845 -1.906 -3.183 1.00 0.00 H new ATOM 0 HG LEU A 16 5.008 -3.035 -2.169 1.00 0.00 H new ATOM 0 HD11 LEU A 16 4.935 -1.421 -0.315 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.370 -0.710 -1.845 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.194 -1.183 -0.596 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.650 -3.850 0.123 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.890 -3.773 -0.129 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.879 -4.899 -1.090 1.00 0.00 H new ATOM 287 N PHE A 17 -0.100 -1.750 -2.886 1.00 0.00 N ATOM 288 CA PHE A 17 -1.201 -1.217 -3.670 1.00 0.00 C ATOM 289 C PHE A 17 -0.834 0.136 -4.283 1.00 0.00 C ATOM 290 O PHE A 17 -0.010 0.867 -3.735 1.00 0.00 O ATOM 291 CB PHE A 17 -2.380 -1.027 -2.713 1.00 0.00 C ATOM 292 CG PHE A 17 -3.111 -2.324 -2.360 1.00 0.00 C ATOM 293 CD1 PHE A 17 -3.883 -2.944 -3.292 1.00 0.00 C ATOM 294 CD2 PHE A 17 -2.988 -2.856 -1.115 1.00 0.00 C ATOM 295 CE1 PHE A 17 -4.561 -4.148 -2.964 1.00 0.00 C ATOM 296 CE2 PHE A 17 -3.667 -4.059 -0.787 1.00 0.00 C ATOM 297 CZ PHE A 17 -4.439 -4.680 -1.718 1.00 0.00 C ATOM 0 H PHE A 17 0.216 -1.145 -2.128 1.00 0.00 H new ATOM 0 HA PHE A 17 -1.443 -1.900 -4.484 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -2.018 -0.565 -1.795 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -3.090 -0.332 -3.161 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -3.980 -2.521 -4.281 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -2.374 -2.364 -0.376 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -5.174 -4.641 -3.704 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -3.570 -4.481 0.202 1.00 0.00 H new ATOM 0 HZ PHE A 17 -4.955 -5.595 -1.468 1.00 0.00 H new ATOM 307 N THR A 18 -1.462 0.428 -5.412 1.00 0.00 N ATOM 308 CA THR A 18 -1.211 1.680 -6.106 1.00 0.00 C ATOM 309 C THR A 18 -2.329 2.683 -5.816 1.00 0.00 C ATOM 310 O THR A 18 -3.501 2.314 -5.761 1.00 0.00 O ATOM 311 CB THR A 18 -1.044 1.370 -7.595 1.00 0.00 C ATOM 312 OG1 THR A 18 0.293 0.891 -7.702 1.00 0.00 O ATOM 313 CG2 THR A 18 -1.058 2.632 -8.460 1.00 0.00 C ATOM 0 H THR A 18 -2.144 -0.181 -5.864 1.00 0.00 H new ATOM 0 HA THR A 18 -0.294 2.151 -5.753 1.00 0.00 H new ATOM 0 HB THR A 18 -1.840 0.699 -7.918 1.00 0.00 H new ATOM 0 HG1 THR A 18 0.282 -0.058 -7.946 1.00 0.00 H new ATOM 0 HG21 THR A 18 -0.936 2.356 -9.508 1.00 0.00 H new ATOM 0 HG22 THR A 18 -2.007 3.152 -8.330 1.00 0.00 H new ATOM 0 HG23 THR A 18 -0.241 3.288 -8.160 1.00 0.00 H new ATOM 321 N ASN A 19 -1.927 3.933 -5.637 1.00 0.00 N ATOM 322 CA ASN A 19 -2.880 4.993 -5.354 1.00 0.00 C ATOM 323 C ASN A 19 -2.470 6.258 -6.111 1.00 0.00 C ATOM 324 O ASN A 19 -2.187 7.287 -5.499 1.00 0.00 O ATOM 325 CB ASN A 19 -2.908 5.323 -3.861 1.00 0.00 C ATOM 326 CG ASN A 19 -4.341 5.310 -3.323 1.00 0.00 C ATOM 327 OD1 ASN A 19 -5.226 4.662 -3.858 1.00 0.00 O ATOM 328 ND2 ASN A 19 -4.518 6.058 -2.238 1.00 0.00 N ATOM 0 H ASN A 19 -0.954 4.235 -5.682 1.00 0.00 H new ATOM 0 HA ASN A 19 -3.867 4.652 -5.667 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -2.304 4.600 -3.314 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -2.462 6.303 -3.693 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -5.438 6.115 -1.802 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -3.733 6.575 -1.842 1.00 0.00 H new ATOM 335 N ASP A 20 -2.450 6.139 -7.430 1.00 0.00 N ATOM 336 CA ASP A 20 -2.079 7.260 -8.277 1.00 0.00 C ATOM 337 C ASP A 20 -0.754 7.847 -7.787 1.00 0.00 C ATOM 338 O ASP A 20 -0.358 7.626 -6.644 1.00 0.00 O ATOM 339 CB ASP A 20 -3.135 8.366 -8.221 1.00 0.00 C ATOM 340 CG ASP A 20 -2.599 9.783 -8.435 1.00 0.00 C ATOM 341 OD1 ASP A 20 -2.019 10.323 -7.468 1.00 0.00 O ATOM 342 OD2 ASP A 20 -2.783 10.295 -9.560 1.00 0.00 O ATOM 0 H ASP A 20 -2.685 5.283 -7.933 1.00 0.00 H new ATOM 0 HA ASP A 20 -1.993 6.895 -9.300 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -3.893 8.162 -8.977 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -3.632 8.324 -7.252 1.00 0.00 H new ATOM 347 N ILE A 21 -0.105 8.584 -8.676 1.00 0.00 N ATOM 348 CA ILE A 21 1.168 9.204 -8.349 1.00 0.00 C ATOM 349 C ILE A 21 1.558 10.177 -9.463 1.00 0.00 C ATOM 350 O ILE A 21 1.322 11.379 -9.353 1.00 0.00 O ATOM 351 CB ILE A 21 2.227 8.136 -8.066 1.00 0.00 C ATOM 352 CG1 ILE A 21 1.622 6.733 -8.131 1.00 0.00 C ATOM 353 CG2 ILE A 21 2.926 8.398 -6.730 1.00 0.00 C ATOM 354 CD1 ILE A 21 2.681 5.696 -8.514 1.00 0.00 C ATOM 0 H ILE A 21 -0.437 8.766 -9.623 1.00 0.00 H new ATOM 0 HA ILE A 21 1.083 9.787 -7.432 1.00 0.00 H new ATOM 0 HB ILE A 21 2.988 8.194 -8.844 1.00 0.00 H new ATOM 0 HG12 ILE A 21 1.188 6.475 -7.165 1.00 0.00 H new ATOM 0 HG13 ILE A 21 0.811 6.716 -8.859 1.00 0.00 H new ATOM 0 HG21 ILE A 21 3.674 7.625 -6.553 1.00 0.00 H new ATOM 0 HG22 ILE A 21 3.412 9.373 -6.759 1.00 0.00 H new ATOM 0 HG23 ILE A 21 2.191 8.383 -5.926 1.00 0.00 H new ATOM 0 HD11 ILE A 21 2.224 4.707 -8.553 1.00 0.00 H new ATOM 0 HD12 ILE A 21 3.096 5.943 -9.491 1.00 0.00 H new ATOM 0 HD13 ILE A 21 3.478 5.698 -7.771 1.00 0.00 H new ATOM 366 N ALA A 22 2.149 9.621 -10.511 1.00 0.00 N ATOM 367 CA ALA A 22 2.574 10.425 -11.644 1.00 0.00 C ATOM 368 C ALA A 22 2.532 9.571 -12.913 1.00 0.00 C ATOM 369 O ALA A 22 1.595 8.801 -13.117 1.00 0.00 O ATOM 370 CB ALA A 22 3.966 10.996 -11.371 1.00 0.00 C ATOM 0 H ALA A 22 2.343 8.624 -10.599 1.00 0.00 H new ATOM 0 HA ALA A 22 1.899 11.268 -11.791 1.00 0.00 H new ATOM 0 HB1 ALA A 22 4.285 11.599 -12.221 1.00 0.00 H new ATOM 0 HB2 ALA A 22 3.935 11.618 -10.476 1.00 0.00 H new ATOM 0 HB3 ALA A 22 4.671 10.179 -11.221 1.00 0.00 H new ATOM 376 N SER A 23 3.560 9.737 -13.733 1.00 0.00 N ATOM 377 CA SER A 23 3.653 8.991 -14.977 1.00 0.00 C ATOM 378 C SER A 23 3.042 7.600 -14.800 1.00 0.00 C ATOM 379 O SER A 23 1.935 7.339 -15.269 1.00 0.00 O ATOM 380 CB SER A 23 5.105 8.878 -15.444 1.00 0.00 C ATOM 381 OG SER A 23 5.260 7.906 -16.475 1.00 0.00 O ATOM 0 H SER A 23 4.335 10.377 -13.560 1.00 0.00 H new ATOM 0 HA SER A 23 3.095 9.531 -15.742 1.00 0.00 H new ATOM 0 HB2 SER A 23 5.446 9.848 -15.806 1.00 0.00 H new ATOM 0 HB3 SER A 23 5.739 8.613 -14.598 1.00 0.00 H new ATOM 0 HG SER A 23 6.201 7.865 -16.747 1.00 0.00 H new ATOM 387 N ASN A 24 3.790 6.742 -14.121 1.00 0.00 N ATOM 388 CA ASN A 24 3.336 5.384 -13.876 1.00 0.00 C ATOM 389 C ASN A 24 2.736 5.297 -12.472 1.00 0.00 C ATOM 390 O ASN A 24 3.463 5.154 -11.490 1.00 0.00 O ATOM 391 CB ASN A 24 4.498 4.392 -13.956 1.00 0.00 C ATOM 392 CG ASN A 24 4.480 3.631 -15.283 1.00 0.00 C ATOM 393 OD1 ASN A 24 5.106 4.016 -16.257 1.00 0.00 O ATOM 394 ND2 ASN A 24 3.730 2.534 -15.267 1.00 0.00 N ATOM 0 H ASN A 24 4.707 6.961 -13.733 1.00 0.00 H new ATOM 0 HA ASN A 24 2.595 5.134 -14.636 1.00 0.00 H new ATOM 0 HB2 ASN A 24 5.443 4.925 -13.851 1.00 0.00 H new ATOM 0 HB3 ASN A 24 4.436 3.687 -13.127 1.00 0.00 H new ATOM 0 HD21 ASN A 24 3.652 1.957 -16.105 1.00 0.00 H new ATOM 0 HD22 ASN A 24 3.232 2.269 -14.417 1.00 0.00 H new ATOM 401 N ILE A 25 1.415 5.387 -12.421 1.00 0.00 N ATOM 402 CA ILE A 25 0.709 5.320 -11.152 1.00 0.00 C ATOM 403 C ILE A 25 1.056 4.007 -10.448 1.00 0.00 C ATOM 404 O ILE A 25 1.197 3.971 -9.227 1.00 0.00 O ATOM 405 CB ILE A 25 -0.793 5.526 -11.364 1.00 0.00 C ATOM 406 CG1 ILE A 25 -1.129 7.012 -11.495 1.00 0.00 C ATOM 407 CG2 ILE A 25 -1.600 4.850 -10.254 1.00 0.00 C ATOM 408 CD1 ILE A 25 -0.990 7.481 -12.944 1.00 0.00 C ATOM 0 H ILE A 25 0.815 5.506 -13.237 1.00 0.00 H new ATOM 0 HA ILE A 25 1.029 6.128 -10.495 1.00 0.00 H new ATOM 0 HB ILE A 25 -1.075 5.049 -12.303 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -2.147 7.190 -11.148 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -0.467 7.596 -10.855 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.664 5.011 -10.428 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -1.391 3.780 -10.252 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -1.321 5.276 -9.290 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -1.235 8.541 -13.008 1.00 0.00 H new ATOM 0 HD12 ILE A 25 0.035 7.324 -13.280 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -1.671 6.912 -13.577 1.00 0.00 H new ATOM 420 N LYS A 26 1.185 2.959 -11.249 1.00 0.00 N ATOM 421 CA LYS A 26 1.514 1.647 -10.718 1.00 0.00 C ATOM 422 C LYS A 26 3.020 1.569 -10.460 1.00 0.00 C ATOM 423 O LYS A 26 3.447 1.216 -9.362 1.00 0.00 O ATOM 424 CB LYS A 26 0.991 0.548 -11.645 1.00 0.00 C ATOM 425 CG LYS A 26 1.213 0.917 -13.113 1.00 0.00 C ATOM 426 CD LYS A 26 -0.095 1.362 -13.771 1.00 0.00 C ATOM 427 CE LYS A 26 0.075 2.711 -14.471 1.00 0.00 C ATOM 428 NZ LYS A 26 -0.766 2.774 -15.687 1.00 0.00 N ATOM 0 H LYS A 26 1.068 2.992 -12.262 1.00 0.00 H new ATOM 0 HA LYS A 26 1.018 1.488 -9.761 1.00 0.00 H new ATOM 0 HB2 LYS A 26 1.496 -0.392 -11.422 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -0.072 0.389 -11.463 1.00 0.00 H new ATOM 0 HG2 LYS A 26 1.950 1.717 -13.183 1.00 0.00 H new ATOM 0 HG3 LYS A 26 1.621 0.060 -13.649 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -0.417 0.612 -14.493 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -0.879 1.436 -13.017 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -0.198 3.517 -13.791 1.00 0.00 H new ATOM 0 HE3 LYS A 26 1.121 2.860 -14.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -0.638 3.697 -16.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -0.486 2.016 -16.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -1.765 2.654 -15.425 1.00 0.00 H new ATOM 442 N SER A 27 3.783 1.904 -11.490 1.00 0.00 N ATOM 443 CA SER A 27 5.232 1.876 -11.388 1.00 0.00 C ATOM 444 C SER A 27 5.702 2.885 -10.338 1.00 0.00 C ATOM 445 O SER A 27 6.261 2.502 -9.311 1.00 0.00 O ATOM 446 CB SER A 27 5.885 2.173 -12.739 1.00 0.00 C ATOM 447 OG SER A 27 6.515 3.451 -12.758 1.00 0.00 O ATOM 0 H SER A 27 3.425 2.196 -12.399 1.00 0.00 H new ATOM 0 HA SER A 27 5.534 0.875 -11.081 1.00 0.00 H new ATOM 0 HB2 SER A 27 6.622 1.402 -12.963 1.00 0.00 H new ATOM 0 HB3 SER A 27 5.130 2.129 -13.524 1.00 0.00 H new ATOM 0 HG SER A 27 7.028 3.550 -13.587 1.00 0.00 H new ATOM 453 N GLN A 28 5.458 4.153 -10.631 1.00 0.00 N ATOM 454 CA GLN A 28 5.850 5.220 -9.725 1.00 0.00 C ATOM 455 C GLN A 28 5.546 4.826 -8.278 1.00 0.00 C ATOM 456 O GLN A 28 6.263 5.219 -7.360 1.00 0.00 O ATOM 457 CB GLN A 28 5.157 6.534 -10.093 1.00 0.00 C ATOM 458 CG GLN A 28 5.429 7.610 -9.040 1.00 0.00 C ATOM 459 CD GLN A 28 5.748 8.954 -9.699 1.00 0.00 C ATOM 460 OE1 GLN A 28 6.332 9.027 -10.768 1.00 0.00 O ATOM 461 NE2 GLN A 28 5.332 10.009 -9.005 1.00 0.00 N ATOM 0 H GLN A 28 4.994 4.466 -11.483 1.00 0.00 H new ATOM 0 HA GLN A 28 6.925 5.375 -9.821 1.00 0.00 H new ATOM 0 HB2 GLN A 28 5.509 6.875 -11.066 1.00 0.00 H new ATOM 0 HB3 GLN A 28 4.083 6.370 -10.182 1.00 0.00 H new ATOM 0 HG2 GLN A 28 4.560 7.716 -8.391 1.00 0.00 H new ATOM 0 HG3 GLN A 28 6.263 7.303 -8.409 1.00 0.00 H new ATOM 0 HE21 GLN A 28 4.849 9.877 -8.116 1.00 0.00 H new ATOM 0 HE22 GLN A 28 5.496 10.951 -9.361 1.00 0.00 H new ATOM 470 N LYS A 29 4.480 4.054 -8.121 1.00 0.00 N ATOM 471 CA LYS A 29 4.072 3.602 -6.801 1.00 0.00 C ATOM 472 C LYS A 29 5.267 2.957 -6.096 1.00 0.00 C ATOM 473 O LYS A 29 5.922 3.592 -5.271 1.00 0.00 O ATOM 474 CB LYS A 29 2.850 2.687 -6.902 1.00 0.00 C ATOM 475 CG LYS A 29 2.826 1.676 -5.754 1.00 0.00 C ATOM 476 CD LYS A 29 2.792 0.242 -6.286 1.00 0.00 C ATOM 477 CE LYS A 29 2.475 -0.751 -5.166 1.00 0.00 C ATOM 478 NZ LYS A 29 1.395 -1.674 -5.582 1.00 0.00 N ATOM 0 H LYS A 29 3.887 3.730 -8.885 1.00 0.00 H new ATOM 0 HA LYS A 29 3.758 4.447 -6.189 1.00 0.00 H new ATOM 0 HB2 LYS A 29 1.940 3.286 -6.883 1.00 0.00 H new ATOM 0 HB3 LYS A 29 2.864 2.159 -7.856 1.00 0.00 H new ATOM 0 HG2 LYS A 29 3.706 1.814 -5.125 1.00 0.00 H new ATOM 0 HG3 LYS A 29 1.954 1.855 -5.125 1.00 0.00 H new ATOM 0 HD2 LYS A 29 2.042 0.160 -7.073 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.754 -0.006 -6.735 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.370 -1.320 -4.912 1.00 0.00 H new ATOM 0 HE3 LYS A 29 2.175 -0.211 -4.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 1.529 -2.596 -5.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 0.474 -1.279 -5.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 1.422 -1.797 -6.614 1.00 0.00 H new ATOM 492 N CYS A 30 5.514 1.703 -6.446 1.00 0.00 N ATOM 493 CA CYS A 30 6.618 0.965 -5.856 1.00 0.00 C ATOM 494 C CYS A 30 7.815 1.052 -6.806 1.00 0.00 C ATOM 495 O CYS A 30 8.917 1.406 -6.390 1.00 0.00 O ATOM 496 CB CYS A 30 6.233 -0.484 -5.554 1.00 0.00 C ATOM 497 SG CYS A 30 7.141 -1.079 -4.081 1.00 0.00 S ATOM 0 H CYS A 30 4.969 1.179 -7.131 1.00 0.00 H new ATOM 0 HA CYS A 30 6.884 1.408 -4.896 1.00 0.00 H new ATOM 0 HB2 CYS A 30 5.159 -0.555 -5.383 1.00 0.00 H new ATOM 0 HB3 CYS A 30 6.462 -1.116 -6.412 1.00 0.00 H new ATOM 0 HG CYS A 30 6.805 -2.310 -3.832 1.00 0.00 H new ATOM 503 N LEU A 31 7.557 0.722 -8.063 1.00 0.00 N ATOM 504 CA LEU A 31 8.599 0.758 -9.075 1.00 0.00 C ATOM 505 C LEU A 31 9.537 1.933 -8.793 1.00 0.00 C ATOM 506 O LEU A 31 10.737 1.850 -9.051 1.00 0.00 O ATOM 507 CB LEU A 31 7.985 0.782 -10.476 1.00 0.00 C ATOM 508 CG LEU A 31 7.392 -0.538 -10.972 1.00 0.00 C ATOM 509 CD1 LEU A 31 8.496 -1.529 -11.345 1.00 0.00 C ATOM 510 CD2 LEU A 31 6.420 -1.123 -9.945 1.00 0.00 C ATOM 0 H LEU A 31 6.641 0.428 -8.404 1.00 0.00 H new ATOM 0 HA LEU A 31 9.203 -0.149 -9.033 1.00 0.00 H new ATOM 0 HB2 LEU A 31 7.201 1.539 -10.494 1.00 0.00 H new ATOM 0 HB3 LEU A 31 8.752 1.100 -11.182 1.00 0.00 H new ATOM 0 HG LEU A 31 6.820 -0.336 -11.878 1.00 0.00 H new ATOM 0 HD11 LEU A 31 8.047 -2.459 -11.694 1.00 0.00 H new ATOM 0 HD12 LEU A 31 9.114 -1.104 -12.136 1.00 0.00 H new ATOM 0 HD13 LEU A 31 9.115 -1.731 -10.470 1.00 0.00 H new ATOM 0 HD21 LEU A 31 6.013 -2.061 -10.323 1.00 0.00 H new ATOM 0 HD22 LEU A 31 6.947 -1.307 -9.009 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.607 -0.418 -9.771 1.00 0.00 H new ATOM 522 N GLN A 32 8.954 3.001 -8.269 1.00 0.00 N ATOM 523 CA GLN A 32 9.723 4.192 -7.950 1.00 0.00 C ATOM 524 C GLN A 32 10.474 4.002 -6.630 1.00 0.00 C ATOM 525 O GLN A 32 11.678 4.244 -6.557 1.00 0.00 O ATOM 526 CB GLN A 32 8.822 5.428 -7.894 1.00 0.00 C ATOM 527 CG GLN A 32 8.855 6.191 -9.220 1.00 0.00 C ATOM 528 CD GLN A 32 10.149 6.996 -9.357 1.00 0.00 C ATOM 529 OE1 GLN A 32 10.938 7.113 -8.434 1.00 0.00 O ATOM 530 NE2 GLN A 32 10.321 7.542 -10.557 1.00 0.00 N ATOM 0 H GLN A 32 7.958 3.067 -8.057 1.00 0.00 H new ATOM 0 HA GLN A 32 10.454 4.351 -8.742 1.00 0.00 H new ATOM 0 HB2 GLN A 32 7.799 5.127 -7.669 1.00 0.00 H new ATOM 0 HB3 GLN A 32 9.147 6.083 -7.085 1.00 0.00 H new ATOM 0 HG2 GLN A 32 8.769 5.489 -10.050 1.00 0.00 H new ATOM 0 HG3 GLN A 32 7.997 6.861 -9.280 1.00 0.00 H new ATOM 0 HE21 GLN A 32 9.620 7.404 -11.285 1.00 0.00 H new ATOM 0 HE22 GLN A 32 11.154 8.099 -10.749 1.00 0.00 H new ATOM 539 N LEU A 33 9.733 3.569 -5.621 1.00 0.00 N ATOM 540 CA LEU A 33 10.314 3.343 -4.309 1.00 0.00 C ATOM 541 C LEU A 33 11.533 2.429 -4.446 1.00 0.00 C ATOM 542 O LEU A 33 12.569 2.673 -3.829 1.00 0.00 O ATOM 543 CB LEU A 33 9.256 2.815 -3.338 1.00 0.00 C ATOM 544 CG LEU A 33 9.765 2.381 -1.962 1.00 0.00 C ATOM 545 CD1 LEU A 33 10.872 3.314 -1.468 1.00 0.00 C ATOM 546 CD2 LEU A 33 8.614 2.277 -0.959 1.00 0.00 C ATOM 0 H LEU A 33 8.735 3.369 -5.686 1.00 0.00 H new ATOM 0 HA LEU A 33 10.666 4.282 -3.882 1.00 0.00 H new ATOM 0 HB2 LEU A 33 8.502 3.590 -3.197 1.00 0.00 H new ATOM 0 HB3 LEU A 33 8.756 1.965 -3.803 1.00 0.00 H new ATOM 0 HG LEU A 33 10.200 1.386 -2.057 1.00 0.00 H new ATOM 0 HD11 LEU A 33 11.216 2.983 -0.488 1.00 0.00 H new ATOM 0 HD12 LEU A 33 11.705 3.294 -2.171 1.00 0.00 H new ATOM 0 HD13 LEU A 33 10.485 4.330 -1.393 1.00 0.00 H new ATOM 0 HD21 LEU A 33 9.003 1.967 0.011 1.00 0.00 H new ATOM 0 HD22 LEU A 33 8.128 3.248 -0.861 1.00 0.00 H new ATOM 0 HD23 LEU A 33 7.890 1.542 -1.311 1.00 0.00 H new ATOM 558 N LEU A 34 11.370 1.396 -5.259 1.00 0.00 N ATOM 559 CA LEU A 34 12.444 0.445 -5.486 1.00 0.00 C ATOM 560 C LEU A 34 13.425 1.022 -6.508 1.00 0.00 C ATOM 561 O LEU A 34 14.546 0.536 -6.642 1.00 0.00 O ATOM 562 CB LEU A 34 11.877 -0.920 -5.881 1.00 0.00 C ATOM 563 CG LEU A 34 10.433 -1.195 -5.456 1.00 0.00 C ATOM 564 CD1 LEU A 34 9.493 -1.171 -6.664 1.00 0.00 C ATOM 565 CD2 LEU A 34 10.330 -2.507 -4.676 1.00 0.00 C ATOM 0 H LEU A 34 10.509 1.197 -5.769 1.00 0.00 H new ATOM 0 HA LEU A 34 13.004 0.278 -4.566 1.00 0.00 H new ATOM 0 HB2 LEU A 34 11.941 -1.018 -6.965 1.00 0.00 H new ATOM 0 HB3 LEU A 34 12.514 -1.694 -5.453 1.00 0.00 H new ATOM 0 HG LEU A 34 10.117 -0.397 -4.785 1.00 0.00 H new ATOM 0 HD11 LEU A 34 8.473 -1.369 -6.335 1.00 0.00 H new ATOM 0 HD12 LEU A 34 9.537 -0.191 -7.140 1.00 0.00 H new ATOM 0 HD13 LEU A 34 9.799 -1.935 -7.378 1.00 0.00 H new ATOM 0 HD21 LEU A 34 9.293 -2.678 -4.386 1.00 0.00 H new ATOM 0 HD22 LEU A 34 10.672 -3.331 -5.303 1.00 0.00 H new ATOM 0 HD23 LEU A 34 10.951 -2.449 -3.782 1.00 0.00 H new ATOM 577 N LYS A 35 12.966 2.053 -7.204 1.00 0.00 N ATOM 578 CA LYS A 35 13.788 2.702 -8.210 1.00 0.00 C ATOM 579 C LYS A 35 15.089 3.186 -7.565 1.00 0.00 C ATOM 580 O LYS A 35 16.008 3.616 -8.261 1.00 0.00 O ATOM 581 CB LYS A 35 13.001 3.810 -8.912 1.00 0.00 C ATOM 582 CG LYS A 35 13.696 4.242 -10.205 1.00 0.00 C ATOM 583 CD LYS A 35 12.698 4.324 -11.363 1.00 0.00 C ATOM 584 CE LYS A 35 13.265 5.153 -12.517 1.00 0.00 C ATOM 585 NZ LYS A 35 12.618 4.775 -13.793 1.00 0.00 N ATOM 0 H LYS A 35 12.035 2.454 -7.090 1.00 0.00 H new ATOM 0 HA LYS A 35 14.063 1.994 -8.992 1.00 0.00 H new ATOM 0 HB2 LYS A 35 11.994 3.459 -9.136 1.00 0.00 H new ATOM 0 HB3 LYS A 35 12.899 4.667 -8.246 1.00 0.00 H new ATOM 0 HG2 LYS A 35 14.171 5.212 -10.060 1.00 0.00 H new ATOM 0 HG3 LYS A 35 14.487 3.534 -10.451 1.00 0.00 H new ATOM 0 HD2 LYS A 35 12.460 3.320 -11.714 1.00 0.00 H new ATOM 0 HD3 LYS A 35 11.766 4.769 -11.014 1.00 0.00 H new ATOM 0 HE2 LYS A 35 13.107 6.214 -12.323 1.00 0.00 H new ATOM 0 HE3 LYS A 35 14.342 4.999 -12.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 13.014 5.347 -14.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 12.790 3.767 -13.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 11.594 4.945 -13.727 1.00 0.00 H new ATOM 599 N GLY A 36 15.125 3.098 -6.244 1.00 0.00 N ATOM 600 CA GLY A 36 16.297 3.522 -5.498 1.00 0.00 C ATOM 601 C GLY A 36 17.302 2.376 -5.359 1.00 0.00 C ATOM 602 O GLY A 36 18.390 2.427 -5.930 1.00 0.00 O ATOM 0 H GLY A 36 14.361 2.739 -5.671 1.00 0.00 H new ATOM 0 HA2 GLY A 36 16.769 4.365 -6.003 1.00 0.00 H new ATOM 0 HA3 GLY A 36 15.997 3.870 -4.509 1.00 0.00 H new ATOM 606 N ASP A 37 16.901 1.369 -4.597 1.00 0.00 N ATOM 607 CA ASP A 37 17.753 0.213 -4.375 1.00 0.00 C ATOM 608 C ASP A 37 16.906 -1.059 -4.447 1.00 0.00 C ATOM 609 O ASP A 37 16.187 -1.385 -3.503 1.00 0.00 O ATOM 610 CB ASP A 37 18.408 0.268 -2.994 1.00 0.00 C ATOM 611 CG ASP A 37 18.940 1.643 -2.585 1.00 0.00 C ATOM 612 OD1 ASP A 37 19.850 2.132 -3.289 1.00 0.00 O ATOM 613 OD2 ASP A 37 18.426 2.174 -1.577 1.00 0.00 O ATOM 0 H ASP A 37 15.997 1.330 -4.126 1.00 0.00 H new ATOM 0 HA ASP A 37 18.528 0.213 -5.141 1.00 0.00 H new ATOM 0 HB2 ASP A 37 17.681 -0.060 -2.251 1.00 0.00 H new ATOM 0 HB3 ASP A 37 19.232 -0.445 -2.971 1.00 0.00 H new ATOM 618 N VAL A 38 17.019 -1.745 -5.575 1.00 0.00 N ATOM 619 CA VAL A 38 16.273 -2.975 -5.781 1.00 0.00 C ATOM 620 C VAL A 38 17.140 -3.967 -6.560 1.00 0.00 C ATOM 621 O VAL A 38 18.214 -3.612 -7.043 1.00 0.00 O ATOM 622 CB VAL A 38 14.944 -2.670 -6.475 1.00 0.00 C ATOM 623 CG1 VAL A 38 15.162 -2.314 -7.947 1.00 0.00 C ATOM 624 CG2 VAL A 38 13.970 -3.841 -6.332 1.00 0.00 C ATOM 0 H VAL A 38 17.616 -1.472 -6.356 1.00 0.00 H new ATOM 0 HA VAL A 38 16.027 -3.438 -4.825 1.00 0.00 H new ATOM 0 HB VAL A 38 14.501 -1.804 -5.984 1.00 0.00 H new ATOM 0 HG11 VAL A 38 14.201 -2.102 -8.416 1.00 0.00 H new ATOM 0 HG12 VAL A 38 15.802 -1.435 -8.018 1.00 0.00 H new ATOM 0 HG13 VAL A 38 15.638 -3.151 -8.457 1.00 0.00 H new ATOM 0 HG21 VAL A 38 13.033 -3.599 -6.834 1.00 0.00 H new ATOM 0 HG22 VAL A 38 14.404 -4.733 -6.785 1.00 0.00 H new ATOM 0 HG23 VAL A 38 13.778 -4.027 -5.275 1.00 0.00 H new ATOM 634 N SER A 39 16.641 -5.190 -6.656 1.00 0.00 N ATOM 635 CA SER A 39 17.356 -6.236 -7.367 1.00 0.00 C ATOM 636 C SER A 39 16.690 -7.591 -7.114 1.00 0.00 C ATOM 637 O SER A 39 15.652 -7.895 -7.699 1.00 0.00 O ATOM 638 CB SER A 39 18.827 -6.281 -6.948 1.00 0.00 C ATOM 639 OG SER A 39 19.459 -7.495 -7.346 1.00 0.00 O ATOM 0 H SER A 39 15.750 -5.480 -6.253 1.00 0.00 H new ATOM 0 HA SER A 39 17.317 -6.013 -8.433 1.00 0.00 H new ATOM 0 HB2 SER A 39 19.355 -5.436 -7.389 1.00 0.00 H new ATOM 0 HB3 SER A 39 18.899 -6.173 -5.866 1.00 0.00 H new ATOM 0 HG SER A 39 20.397 -7.484 -7.062 1.00 0.00 H new ATOM 645 N HIS A 40 17.315 -8.367 -6.240 1.00 0.00 N ATOM 646 CA HIS A 40 16.796 -9.681 -5.903 1.00 0.00 C ATOM 647 C HIS A 40 17.000 -9.945 -4.409 1.00 0.00 C ATOM 648 O HIS A 40 18.077 -9.694 -3.872 1.00 0.00 O ATOM 649 CB HIS A 40 17.428 -10.759 -6.786 1.00 0.00 C ATOM 650 CG HIS A 40 16.428 -11.693 -7.426 1.00 0.00 C ATOM 651 ND1 HIS A 40 15.190 -11.271 -7.877 1.00 0.00 N ATOM 652 CD2 HIS A 40 16.497 -13.030 -7.685 1.00 0.00 C ATOM 653 CE1 HIS A 40 14.550 -12.315 -8.382 1.00 0.00 C ATOM 654 NE2 HIS A 40 15.362 -13.405 -8.262 1.00 0.00 N ATOM 0 H HIS A 40 18.175 -8.111 -5.756 1.00 0.00 H new ATOM 0 HA HIS A 40 15.725 -9.714 -6.101 1.00 0.00 H new ATOM 0 HB2 HIS A 40 18.012 -10.276 -7.570 1.00 0.00 H new ATOM 0 HB3 HIS A 40 18.124 -11.345 -6.185 1.00 0.00 H new ATOM 0 HD2 HIS A 40 17.334 -13.675 -7.459 1.00 0.00 H new ATOM 0 HE1 HIS A 40 13.560 -12.305 -8.813 1.00 0.00 H new ATOM 0 HE2 HIS A 40 15.134 -14.352 -8.566 1.00 0.00 H new ATOM 662 N ARG A 41 15.947 -10.448 -3.781 1.00 0.00 N ATOM 663 CA ARG A 41 15.997 -10.749 -2.360 1.00 0.00 C ATOM 664 C ARG A 41 14.586 -10.985 -1.818 1.00 0.00 C ATOM 665 O ARG A 41 14.410 -11.674 -0.814 1.00 0.00 O ATOM 666 CB ARG A 41 16.652 -9.609 -1.579 1.00 0.00 C ATOM 667 CG ARG A 41 15.700 -9.054 -0.516 1.00 0.00 C ATOM 668 CD ARG A 41 15.593 -10.009 0.675 1.00 0.00 C ATOM 669 NE ARG A 41 16.430 -11.207 0.441 1.00 0.00 N ATOM 670 CZ ARG A 41 17.697 -11.331 0.859 1.00 0.00 C ATOM 671 NH1 ARG A 41 18.280 -10.332 1.536 1.00 0.00 N ATOM 672 NH2 ARG A 41 18.380 -12.455 0.602 1.00 0.00 N ATOM 0 H ARG A 41 15.055 -10.655 -4.230 1.00 0.00 H new ATOM 0 HA ARG A 41 16.595 -11.652 -2.233 1.00 0.00 H new ATOM 0 HB2 ARG A 41 17.565 -9.967 -1.103 1.00 0.00 H new ATOM 0 HB3 ARG A 41 16.941 -8.813 -2.265 1.00 0.00 H new ATOM 0 HG2 ARG A 41 16.056 -8.081 -0.176 1.00 0.00 H new ATOM 0 HG3 ARG A 41 14.713 -8.898 -0.952 1.00 0.00 H new ATOM 0 HD2 ARG A 41 15.913 -9.504 1.586 1.00 0.00 H new ATOM 0 HD3 ARG A 41 14.554 -10.304 0.823 1.00 0.00 H new ATOM 0 HE ARG A 41 16.017 -11.987 -0.070 1.00 0.00 H new ATOM 0 HH11 ARG A 41 17.759 -9.477 1.733 1.00 0.00 H new ATOM 0 HH12 ARG A 41 19.244 -10.426 1.854 1.00 0.00 H new ATOM 0 HH21 ARG A 41 17.935 -13.216 0.088 1.00 0.00 H new ATOM 0 HH22 ARG A 41 19.345 -12.550 0.920 1.00 0.00 H new ATOM 686 N PHE A 42 13.616 -10.401 -2.507 1.00 0.00 N ATOM 687 CA PHE A 42 12.226 -10.539 -2.107 1.00 0.00 C ATOM 688 C PHE A 42 11.290 -10.336 -3.299 1.00 0.00 C ATOM 689 O PHE A 42 11.712 -9.857 -4.351 1.00 0.00 O ATOM 690 CB PHE A 42 11.950 -9.452 -1.066 1.00 0.00 C ATOM 691 CG PHE A 42 11.775 -8.053 -1.659 1.00 0.00 C ATOM 692 CD1 PHE A 42 12.704 -7.558 -2.520 1.00 0.00 C ATOM 693 CD2 PHE A 42 10.690 -7.304 -1.325 1.00 0.00 C ATOM 694 CE1 PHE A 42 12.541 -6.259 -3.070 1.00 0.00 C ATOM 695 CE2 PHE A 42 10.527 -6.005 -1.876 1.00 0.00 C ATOM 696 CZ PHE A 42 11.456 -5.510 -2.736 1.00 0.00 C ATOM 0 H PHE A 42 13.766 -9.831 -3.340 1.00 0.00 H new ATOM 0 HA PHE A 42 12.051 -11.538 -1.708 1.00 0.00 H new ATOM 0 HB2 PHE A 42 11.050 -9.715 -0.511 1.00 0.00 H new ATOM 0 HB3 PHE A 42 12.772 -9.432 -0.350 1.00 0.00 H new ATOM 0 HD1 PHE A 42 13.566 -8.153 -2.785 1.00 0.00 H new ATOM 0 HD2 PHE A 42 9.952 -7.697 -0.641 1.00 0.00 H new ATOM 0 HE1 PHE A 42 13.279 -5.866 -3.754 1.00 0.00 H new ATOM 0 HE2 PHE A 42 9.665 -5.411 -1.612 1.00 0.00 H new ATOM 0 HZ PHE A 42 11.333 -4.522 -3.154 1.00 0.00 H new ATOM 706 N ASP A 43 10.035 -10.711 -3.096 1.00 0.00 N ATOM 707 CA ASP A 43 9.035 -10.576 -4.142 1.00 0.00 C ATOM 708 C ASP A 43 8.163 -9.352 -3.853 1.00 0.00 C ATOM 709 O ASP A 43 7.482 -9.299 -2.829 1.00 0.00 O ATOM 710 CB ASP A 43 8.125 -11.804 -4.195 1.00 0.00 C ATOM 711 CG ASP A 43 8.323 -12.704 -5.416 1.00 0.00 C ATOM 712 OD1 ASP A 43 7.743 -12.367 -6.470 1.00 0.00 O ATOM 713 OD2 ASP A 43 9.051 -13.709 -5.267 1.00 0.00 O ATOM 0 H ASP A 43 9.688 -11.108 -2.223 1.00 0.00 H new ATOM 0 HA ASP A 43 9.555 -10.471 -5.094 1.00 0.00 H new ATOM 0 HB2 ASP A 43 8.288 -12.397 -3.295 1.00 0.00 H new ATOM 0 HB3 ASP A 43 7.088 -11.470 -4.173 1.00 0.00 H new ATOM 718 N VAL A 44 8.212 -8.400 -4.772 1.00 0.00 N ATOM 719 CA VAL A 44 7.435 -7.180 -4.628 1.00 0.00 C ATOM 720 C VAL A 44 6.183 -7.272 -5.504 1.00 0.00 C ATOM 721 O VAL A 44 6.276 -7.550 -6.698 1.00 0.00 O ATOM 722 CB VAL A 44 8.304 -5.964 -4.954 1.00 0.00 C ATOM 723 CG1 VAL A 44 7.926 -4.769 -4.076 1.00 0.00 C ATOM 724 CG2 VAL A 44 9.790 -6.299 -4.815 1.00 0.00 C ATOM 0 H VAL A 44 8.778 -8.448 -5.620 1.00 0.00 H new ATOM 0 HA VAL A 44 7.103 -7.058 -3.597 1.00 0.00 H new ATOM 0 HB VAL A 44 8.119 -5.688 -5.992 1.00 0.00 H new ATOM 0 HG11 VAL A 44 8.559 -3.918 -4.328 1.00 0.00 H new ATOM 0 HG12 VAL A 44 6.882 -4.508 -4.247 1.00 0.00 H new ATOM 0 HG13 VAL A 44 8.068 -5.029 -3.027 1.00 0.00 H new ATOM 0 HG21 VAL A 44 10.385 -5.417 -5.052 1.00 0.00 H new ATOM 0 HG22 VAL A 44 9.998 -6.613 -3.792 1.00 0.00 H new ATOM 0 HG23 VAL A 44 10.047 -7.106 -5.501 1.00 0.00 H new ATOM 734 N GLU A 45 5.041 -7.034 -4.875 1.00 0.00 N ATOM 735 CA GLU A 45 3.773 -7.087 -5.582 1.00 0.00 C ATOM 736 C GLU A 45 3.226 -5.674 -5.797 1.00 0.00 C ATOM 737 O GLU A 45 2.849 -4.999 -4.840 1.00 0.00 O ATOM 738 CB GLU A 45 2.763 -7.958 -4.832 1.00 0.00 C ATOM 739 CG GLU A 45 2.356 -9.171 -5.670 1.00 0.00 C ATOM 740 CD GLU A 45 3.083 -10.432 -5.199 1.00 0.00 C ATOM 741 OE1 GLU A 45 4.329 -10.369 -5.110 1.00 0.00 O ATOM 742 OE2 GLU A 45 2.378 -11.430 -4.938 1.00 0.00 O ATOM 0 H GLU A 45 4.968 -6.804 -3.884 1.00 0.00 H new ATOM 0 HA GLU A 45 3.942 -7.543 -6.558 1.00 0.00 H new ATOM 0 HB2 GLU A 45 3.195 -8.292 -3.889 1.00 0.00 H new ATOM 0 HB3 GLU A 45 1.880 -7.368 -4.587 1.00 0.00 H new ATOM 0 HG2 GLU A 45 1.279 -9.321 -5.600 1.00 0.00 H new ATOM 0 HG3 GLU A 45 2.585 -8.986 -6.719 1.00 0.00 H new ATOM 749 N ILE A 46 3.200 -5.270 -7.058 1.00 0.00 N ATOM 750 CA ILE A 46 2.705 -3.950 -7.410 1.00 0.00 C ATOM 751 C ILE A 46 1.373 -4.090 -8.150 1.00 0.00 C ATOM 752 O ILE A 46 1.345 -4.479 -9.317 1.00 0.00 O ATOM 753 CB ILE A 46 3.765 -3.172 -8.194 1.00 0.00 C ATOM 754 CG1 ILE A 46 4.981 -2.867 -7.316 1.00 0.00 C ATOM 755 CG2 ILE A 46 3.170 -1.905 -8.810 1.00 0.00 C ATOM 756 CD1 ILE A 46 5.659 -4.157 -6.852 1.00 0.00 C ATOM 0 H ILE A 46 3.514 -5.833 -7.849 1.00 0.00 H new ATOM 0 HA ILE A 46 2.511 -3.364 -6.512 1.00 0.00 H new ATOM 0 HB ILE A 46 4.111 -3.798 -9.017 1.00 0.00 H new ATOM 0 HG12 ILE A 46 5.693 -2.258 -7.873 1.00 0.00 H new ATOM 0 HG13 ILE A 46 4.671 -2.283 -6.450 1.00 0.00 H new ATOM 0 HG21 ILE A 46 3.944 -1.371 -9.361 1.00 0.00 H new ATOM 0 HG22 ILE A 46 2.362 -2.176 -9.489 1.00 0.00 H new ATOM 0 HG23 ILE A 46 2.780 -1.264 -8.019 1.00 0.00 H new ATOM 0 HD11 ILE A 46 6.520 -3.912 -6.230 1.00 0.00 H new ATOM 0 HD12 ILE A 46 4.952 -4.752 -6.275 1.00 0.00 H new ATOM 0 HD13 ILE A 46 5.989 -4.727 -7.720 1.00 0.00 H new ATOM 768 N ALA A 47 0.302 -3.764 -7.441 1.00 0.00 N ATOM 769 CA ALA A 47 -1.030 -3.849 -8.016 1.00 0.00 C ATOM 770 C ALA A 47 -1.870 -2.670 -7.520 1.00 0.00 C ATOM 771 O ALA A 47 -1.792 -2.296 -6.351 1.00 0.00 O ATOM 772 CB ALA A 47 -1.654 -5.200 -7.662 1.00 0.00 C ATOM 0 H ALA A 47 0.329 -3.441 -6.474 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.984 -3.787 -9.103 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -2.653 -5.264 -8.093 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -1.034 -6.003 -8.062 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.720 -5.298 -6.578 1.00 0.00 H new ATOM 778 N ASN A 48 -2.655 -2.119 -8.434 1.00 0.00 N ATOM 779 CA ASN A 48 -3.509 -0.990 -8.105 1.00 0.00 C ATOM 780 C ASN A 48 -4.944 -1.483 -7.907 1.00 0.00 C ATOM 781 O ASN A 48 -5.532 -2.073 -8.812 1.00 0.00 O ATOM 782 CB ASN A 48 -3.515 0.044 -9.232 1.00 0.00 C ATOM 783 CG ASN A 48 -4.343 -0.447 -10.422 1.00 0.00 C ATOM 784 OD1 ASN A 48 -5.544 -0.247 -10.500 1.00 0.00 O ATOM 785 ND2 ASN A 48 -3.636 -1.098 -11.341 1.00 0.00 N ATOM 0 H ASN A 48 -2.718 -2.433 -9.402 1.00 0.00 H new ATOM 0 HA ASN A 48 -3.123 -0.529 -7.196 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -3.923 0.986 -8.864 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -2.493 0.243 -9.553 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -4.097 -1.465 -12.174 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -2.633 -1.230 -11.213 1.00 0.00 H new ATOM 792 N ARG A 49 -5.466 -1.223 -6.718 1.00 0.00 N ATOM 793 CA ARG A 49 -6.821 -1.633 -6.390 1.00 0.00 C ATOM 794 C ARG A 49 -7.318 -0.883 -5.151 1.00 0.00 C ATOM 795 O ARG A 49 -6.517 -0.385 -4.361 1.00 0.00 O ATOM 796 CB ARG A 49 -6.894 -3.139 -6.129 1.00 0.00 C ATOM 797 CG ARG A 49 -8.125 -3.752 -6.799 1.00 0.00 C ATOM 798 CD ARG A 49 -7.719 -4.690 -7.938 1.00 0.00 C ATOM 799 NE ARG A 49 -7.115 -5.924 -7.386 1.00 0.00 N ATOM 800 CZ ARG A 49 -6.953 -7.057 -8.083 1.00 0.00 C ATOM 801 NH1 ARG A 49 -7.349 -7.120 -9.362 1.00 0.00 N ATOM 802 NH2 ARG A 49 -6.395 -8.128 -7.501 1.00 0.00 N ATOM 0 H ARG A 49 -4.975 -0.733 -5.970 1.00 0.00 H new ATOM 0 HA ARG A 49 -7.455 -1.393 -7.243 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -5.992 -3.621 -6.506 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -6.930 -3.324 -5.055 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -8.709 -4.302 -6.061 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -8.765 -2.959 -7.186 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -8.591 -4.941 -8.542 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -7.008 -4.190 -8.596 1.00 0.00 H new ATOM 0 HE ARG A 49 -6.803 -5.911 -6.415 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -7.774 -6.305 -9.805 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -7.226 -7.983 -9.892 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -6.094 -8.080 -6.528 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -6.272 -8.990 -8.032 1.00 0.00 H new ATOM 816 N PHE A 50 -8.635 -0.827 -5.021 1.00 0.00 N ATOM 817 CA PHE A 50 -9.247 -0.147 -3.892 1.00 0.00 C ATOM 818 C PHE A 50 -9.019 -0.925 -2.594 1.00 0.00 C ATOM 819 O PHE A 50 -9.424 -2.080 -2.479 1.00 0.00 O ATOM 820 CB PHE A 50 -10.749 -0.077 -4.174 1.00 0.00 C ATOM 821 CG PHE A 50 -11.473 -1.418 -4.029 1.00 0.00 C ATOM 822 CD1 PHE A 50 -10.823 -2.576 -4.321 1.00 0.00 C ATOM 823 CD2 PHE A 50 -12.766 -1.451 -3.608 1.00 0.00 C ATOM 824 CE1 PHE A 50 -11.494 -3.820 -4.186 1.00 0.00 C ATOM 825 CE2 PHE A 50 -13.437 -2.695 -3.474 1.00 0.00 C ATOM 826 CZ PHE A 50 -12.787 -3.853 -3.766 1.00 0.00 C ATOM 0 H PHE A 50 -9.296 -1.241 -5.679 1.00 0.00 H new ATOM 0 HA PHE A 50 -8.809 0.844 -3.772 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -11.203 0.644 -3.494 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -10.901 0.299 -5.186 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -9.796 -2.550 -4.656 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -13.282 -0.531 -3.376 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -10.978 -4.740 -4.417 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -14.464 -2.721 -3.140 1.00 0.00 H new ATOM 0 HZ PHE A 50 -13.298 -4.799 -3.664 1.00 0.00 H new ATOM 836 N PRO A 51 -8.354 -0.241 -1.625 1.00 0.00 N ATOM 837 CA PRO A 51 -8.067 -0.855 -0.339 1.00 0.00 C ATOM 838 C PRO A 51 -9.326 -0.928 0.527 1.00 0.00 C ATOM 839 O PRO A 51 -9.302 -0.547 1.696 1.00 0.00 O ATOM 840 CB PRO A 51 -6.974 0.006 0.273 1.00 0.00 C ATOM 841 CG PRO A 51 -7.016 1.328 -0.477 1.00 0.00 C ATOM 842 CD PRO A 51 -7.860 1.129 -1.726 1.00 0.00 C ATOM 0 HA PRO A 51 -7.736 -1.889 -0.431 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -7.146 0.156 1.339 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -5.999 -0.470 0.171 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -7.443 2.110 0.151 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -6.009 1.648 -0.744 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -8.682 1.844 -1.767 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -7.268 1.271 -2.630 1.00 0.00 H new ATOM 850 N THR A 52 -10.396 -1.419 -0.081 1.00 0.00 N ATOM 851 CA THR A 52 -11.662 -1.547 0.620 1.00 0.00 C ATOM 852 C THR A 52 -11.515 -2.482 1.822 1.00 0.00 C ATOM 853 O THR A 52 -10.517 -3.192 1.942 1.00 0.00 O ATOM 854 CB THR A 52 -12.715 -2.014 -0.387 1.00 0.00 C ATOM 855 OG1 THR A 52 -11.953 -2.573 -1.453 1.00 0.00 O ATOM 856 CG2 THR A 52 -13.463 -0.847 -1.035 1.00 0.00 C ATOM 0 H THR A 52 -10.412 -1.733 -1.051 1.00 0.00 H new ATOM 0 HA THR A 52 -11.985 -0.590 1.030 1.00 0.00 H new ATOM 0 HB THR A 52 -13.428 -2.670 0.112 1.00 0.00 H new ATOM 0 HG1 THR A 52 -12.382 -2.360 -2.308 1.00 0.00 H new ATOM 0 HG21 THR A 52 -14.198 -1.233 -1.741 1.00 0.00 H new ATOM 0 HG22 THR A 52 -13.970 -0.267 -0.264 1.00 0.00 H new ATOM 0 HG23 THR A 52 -12.754 -0.208 -1.562 1.00 0.00 H new ATOM 864 N TRP A 53 -12.522 -2.452 2.682 1.00 0.00 N ATOM 865 CA TRP A 53 -12.517 -3.288 3.871 1.00 0.00 C ATOM 866 C TRP A 53 -12.478 -4.750 3.420 1.00 0.00 C ATOM 867 O TRP A 53 -12.001 -5.616 4.152 1.00 0.00 O ATOM 868 CB TRP A 53 -13.714 -2.971 4.769 1.00 0.00 C ATOM 869 CG TRP A 53 -14.203 -1.525 4.668 1.00 0.00 C ATOM 870 CD1 TRP A 53 -15.465 -1.076 4.700 1.00 0.00 C ATOM 871 CD2 TRP A 53 -13.381 -0.348 4.516 1.00 0.00 C ATOM 872 NE1 TRP A 53 -15.517 0.298 4.581 1.00 0.00 N ATOM 873 CE2 TRP A 53 -14.209 0.754 4.465 1.00 0.00 C ATOM 874 CE3 TRP A 53 -11.984 -0.220 4.424 1.00 0.00 C ATOM 875 CZ2 TRP A 53 -13.734 2.063 4.321 1.00 0.00 C ATOM 876 CZ3 TRP A 53 -11.525 1.095 4.280 1.00 0.00 C ATOM 877 CH2 TRP A 53 -12.346 2.215 4.227 1.00 0.00 C ATOM 0 H TRP A 53 -13.347 -1.862 2.579 1.00 0.00 H new ATOM 0 HA TRP A 53 -11.636 -3.088 4.480 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -14.535 -3.640 4.512 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -13.444 -3.181 5.804 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -16.333 -1.710 4.806 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -16.360 0.873 4.579 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -11.317 -1.069 4.461 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -14.403 2.910 4.284 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -10.459 1.250 4.205 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -11.915 3.199 4.114 1.00 0.00 H new ATOM 888 N ASP A 54 -12.986 -4.979 2.218 1.00 0.00 N ATOM 889 CA ASP A 54 -13.015 -6.321 1.662 1.00 0.00 C ATOM 890 C ASP A 54 -11.626 -6.951 1.788 1.00 0.00 C ATOM 891 O ASP A 54 -11.472 -8.003 2.405 1.00 0.00 O ATOM 892 CB ASP A 54 -13.389 -6.294 0.178 1.00 0.00 C ATOM 893 CG ASP A 54 -14.729 -6.949 -0.163 1.00 0.00 C ATOM 894 OD1 ASP A 54 -15.004 -8.018 0.424 1.00 0.00 O ATOM 895 OD2 ASP A 54 -15.449 -6.365 -1.002 1.00 0.00 O ATOM 0 H ASP A 54 -13.381 -4.258 1.614 1.00 0.00 H new ATOM 0 HA ASP A 54 -13.759 -6.898 2.211 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -13.413 -5.257 -0.156 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -12.603 -6.793 -0.389 1.00 0.00 H new ATOM 900 N GLN A 55 -10.651 -6.280 1.192 1.00 0.00 N ATOM 901 CA GLN A 55 -9.281 -6.761 1.230 1.00 0.00 C ATOM 902 C GLN A 55 -8.583 -6.276 2.503 1.00 0.00 C ATOM 903 O GLN A 55 -7.736 -6.976 3.056 1.00 0.00 O ATOM 904 CB GLN A 55 -8.511 -6.324 -0.018 1.00 0.00 C ATOM 905 CG GLN A 55 -7.693 -7.483 -0.592 1.00 0.00 C ATOM 906 CD GLN A 55 -8.438 -8.162 -1.743 1.00 0.00 C ATOM 907 OE1 GLN A 55 -9.608 -8.495 -1.648 1.00 0.00 O ATOM 908 NE2 GLN A 55 -7.697 -8.349 -2.831 1.00 0.00 N ATOM 0 H GLN A 55 -10.783 -5.408 0.680 1.00 0.00 H new ATOM 0 HA GLN A 55 -9.300 -7.851 1.242 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -9.209 -5.959 -0.771 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -7.849 -5.495 0.231 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -6.730 -7.114 -0.945 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -7.487 -8.211 0.193 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -6.723 -8.046 -2.843 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -8.102 -8.796 -3.654 1.00 0.00 H new ATOM 917 N LEU A 56 -8.964 -5.081 2.929 1.00 0.00 N ATOM 918 CA LEU A 56 -8.385 -4.494 4.126 1.00 0.00 C ATOM 919 C LEU A 56 -8.746 -5.356 5.337 1.00 0.00 C ATOM 920 O LEU A 56 -8.030 -5.359 6.337 1.00 0.00 O ATOM 921 CB LEU A 56 -8.810 -3.031 4.264 1.00 0.00 C ATOM 922 CG LEU A 56 -8.798 -2.460 5.684 1.00 0.00 C ATOM 923 CD1 LEU A 56 -10.084 -2.821 6.431 1.00 0.00 C ATOM 924 CD2 LEU A 56 -7.548 -2.908 6.444 1.00 0.00 C ATOM 0 H LEU A 56 -9.666 -4.503 2.467 1.00 0.00 H new ATOM 0 HA LEU A 56 -7.297 -4.481 4.056 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -8.153 -2.422 3.643 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -9.817 -2.926 3.860 1.00 0.00 H new ATOM 0 HG LEU A 56 -8.760 -1.373 5.615 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -10.050 -2.403 7.437 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -10.942 -2.412 5.897 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -10.178 -3.905 6.491 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -7.564 -2.489 7.450 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -7.530 -3.996 6.505 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -6.659 -2.559 5.919 1.00 0.00 H new ATOM 936 N GLN A 57 -9.857 -6.067 5.208 1.00 0.00 N ATOM 937 CA GLN A 57 -10.322 -6.931 6.280 1.00 0.00 C ATOM 938 C GLN A 57 -9.147 -7.697 6.891 1.00 0.00 C ATOM 939 O GLN A 57 -9.045 -7.814 8.111 1.00 0.00 O ATOM 940 CB GLN A 57 -11.402 -7.892 5.780 1.00 0.00 C ATOM 941 CG GLN A 57 -10.788 -9.031 4.963 1.00 0.00 C ATOM 942 CD GLN A 57 -11.865 -10.008 4.489 1.00 0.00 C ATOM 943 OE1 GLN A 57 -12.618 -9.742 3.566 1.00 0.00 O ATOM 944 NE2 GLN A 57 -11.896 -11.151 5.168 1.00 0.00 N ATOM 0 H GLN A 57 -10.449 -6.062 4.377 1.00 0.00 H new ATOM 0 HA GLN A 57 -10.767 -6.308 7.056 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -11.949 -8.303 6.628 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -12.122 -7.349 5.169 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -10.259 -8.622 4.102 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -10.052 -9.561 5.567 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -11.237 -11.310 5.930 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -12.579 -11.869 4.927 1.00 0.00 H new ATOM 953 N TYR A 58 -8.289 -8.199 6.015 1.00 0.00 N ATOM 954 CA TYR A 58 -7.125 -8.950 6.453 1.00 0.00 C ATOM 955 C TYR A 58 -6.181 -8.069 7.273 1.00 0.00 C ATOM 956 O TYR A 58 -5.753 -8.455 8.360 1.00 0.00 O ATOM 957 CB TYR A 58 -6.408 -9.398 5.178 1.00 0.00 C ATOM 958 CG TYR A 58 -7.125 -10.519 4.423 1.00 0.00 C ATOM 959 CD1 TYR A 58 -7.561 -11.639 5.101 1.00 0.00 C ATOM 960 CD2 TYR A 58 -7.334 -10.410 3.063 1.00 0.00 C ATOM 961 CE1 TYR A 58 -8.236 -12.694 4.389 1.00 0.00 C ATOM 962 CE2 TYR A 58 -8.008 -11.465 2.351 1.00 0.00 C ATOM 963 CZ TYR A 58 -8.426 -12.555 3.050 1.00 0.00 C ATOM 964 OH TYR A 58 -9.063 -13.551 2.378 1.00 0.00 O ATOM 0 H TYR A 58 -8.377 -8.100 5.004 1.00 0.00 H new ATOM 0 HA TYR A 58 -7.424 -9.789 7.081 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -6.297 -8.540 4.515 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -5.403 -9.733 5.437 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -7.396 -11.725 6.165 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -6.992 -9.533 2.533 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -8.583 -13.576 4.907 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -8.178 -11.393 1.287 1.00 0.00 H new ATOM 0 HH TYR A 58 -9.129 -13.315 1.429 1.00 0.00 H new ATOM 974 N MET A 59 -5.883 -6.902 6.720 1.00 0.00 N ATOM 975 CA MET A 59 -4.996 -5.964 7.387 1.00 0.00 C ATOM 976 C MET A 59 -5.686 -5.318 8.590 1.00 0.00 C ATOM 977 O MET A 59 -5.027 -4.938 9.557 1.00 0.00 O ATOM 978 CB MET A 59 -4.569 -4.876 6.399 1.00 0.00 C ATOM 979 CG MET A 59 -3.466 -5.383 5.468 1.00 0.00 C ATOM 980 SD MET A 59 -3.787 -7.078 5.009 1.00 0.00 S ATOM 981 CE MET A 59 -2.142 -7.588 4.539 1.00 0.00 C ATOM 0 H MET A 59 -6.240 -6.585 5.819 1.00 0.00 H new ATOM 0 HA MET A 59 -4.122 -6.509 7.743 1.00 0.00 H new ATOM 0 HB2 MET A 59 -5.429 -4.557 5.810 1.00 0.00 H new ATOM 0 HB3 MET A 59 -4.215 -4.002 6.946 1.00 0.00 H new ATOM 0 HG2 MET A 59 -3.416 -4.759 4.576 1.00 0.00 H new ATOM 0 HG3 MET A 59 -2.498 -5.309 5.963 1.00 0.00 H new ATOM 0 HE1 MET A 59 -2.127 -7.837 3.478 1.00 0.00 H new ATOM 0 HE2 MET A 59 -1.441 -6.776 4.731 1.00 0.00 H new ATOM 0 HE3 MET A 59 -1.852 -8.463 5.121 1.00 0.00 H new ATOM 991 N ARG A 60 -7.003 -5.215 8.492 1.00 0.00 N ATOM 992 CA ARG A 60 -7.789 -4.622 9.561 1.00 0.00 C ATOM 993 C ARG A 60 -7.580 -5.395 10.865 1.00 0.00 C ATOM 994 O ARG A 60 -7.585 -4.808 11.946 1.00 0.00 O ATOM 995 CB ARG A 60 -9.279 -4.618 9.212 1.00 0.00 C ATOM 996 CG ARG A 60 -10.086 -3.856 10.265 1.00 0.00 C ATOM 997 CD ARG A 60 -10.312 -4.717 11.510 1.00 0.00 C ATOM 998 NE ARG A 60 -11.755 -4.767 11.835 1.00 0.00 N ATOM 999 CZ ARG A 60 -12.247 -5.217 12.998 1.00 0.00 C ATOM 1000 NH1 ARG A 60 -11.416 -5.658 13.952 1.00 0.00 N ATOM 1001 NH2 ARG A 60 -13.571 -5.226 13.205 1.00 0.00 N ATOM 0 H ARG A 60 -7.546 -5.532 7.689 1.00 0.00 H new ATOM 0 HA ARG A 60 -7.454 -3.592 9.687 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -9.426 -4.160 8.234 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -9.643 -5.643 9.142 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -9.560 -2.942 10.541 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -11.047 -3.557 9.846 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -9.934 -5.725 11.339 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -9.755 -4.307 12.352 1.00 0.00 H new ATOM 0 HE ARG A 60 -12.416 -4.439 11.131 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -10.408 -5.651 13.794 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -11.791 -6.000 14.837 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -14.203 -4.891 12.478 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -13.947 -5.568 14.089 1.00 0.00 H new ATOM 1015 N THR A 61 -7.401 -6.700 10.720 1.00 0.00 N ATOM 1016 CA THR A 61 -7.190 -7.559 11.872 1.00 0.00 C ATOM 1017 C THR A 61 -5.750 -7.434 12.375 1.00 0.00 C ATOM 1018 O THR A 61 -5.517 -7.295 13.574 1.00 0.00 O ATOM 1019 CB THR A 61 -7.573 -8.986 11.475 1.00 0.00 C ATOM 1020 OG1 THR A 61 -7.178 -9.084 10.109 1.00 0.00 O ATOM 1021 CG2 THR A 61 -9.088 -9.197 11.440 1.00 0.00 C ATOM 0 H THR A 61 -7.398 -7.183 9.822 1.00 0.00 H new ATOM 0 HA THR A 61 -7.820 -7.259 12.709 1.00 0.00 H new ATOM 0 HB THR A 61 -7.124 -9.690 12.175 1.00 0.00 H new ATOM 0 HG1 THR A 61 -6.226 -8.865 10.027 1.00 0.00 H new ATOM 0 HG21 THR A 61 -9.306 -10.226 11.153 1.00 0.00 H new ATOM 0 HG22 THR A 61 -9.506 -9.000 12.427 1.00 0.00 H new ATOM 0 HG23 THR A 61 -9.534 -8.516 10.715 1.00 0.00 H new ATOM 1029 N SER A 62 -4.821 -7.489 11.431 1.00 0.00 N ATOM 1030 CA SER A 62 -3.411 -7.384 11.763 1.00 0.00 C ATOM 1031 C SER A 62 -3.011 -5.912 11.888 1.00 0.00 C ATOM 1032 O SER A 62 -1.949 -5.511 11.414 1.00 0.00 O ATOM 1033 CB SER A 62 -2.544 -8.081 10.713 1.00 0.00 C ATOM 1034 OG SER A 62 -2.476 -7.339 9.498 1.00 0.00 O ATOM 0 H SER A 62 -5.018 -7.605 10.437 1.00 0.00 H new ATOM 0 HA SER A 62 -3.247 -7.882 12.719 1.00 0.00 H new ATOM 0 HB2 SER A 62 -1.538 -8.221 11.109 1.00 0.00 H new ATOM 0 HB3 SER A 62 -2.948 -9.073 10.510 1.00 0.00 H new ATOM 0 HG SER A 62 -2.049 -7.885 8.805 1.00 0.00 H new ATOM 1040 N CYS A 63 -3.882 -5.148 12.530 1.00 0.00 N ATOM 1041 CA CYS A 63 -3.633 -3.729 12.724 1.00 0.00 C ATOM 1042 C CYS A 63 -4.979 -3.028 12.921 1.00 0.00 C ATOM 1043 O CYS A 63 -5.900 -3.209 12.126 1.00 0.00 O ATOM 1044 CB CYS A 63 -2.842 -3.130 11.560 1.00 0.00 C ATOM 1045 SG CYS A 63 -1.078 -2.970 12.019 1.00 0.00 S ATOM 0 H CYS A 63 -4.761 -5.484 12.923 1.00 0.00 H new ATOM 0 HA CYS A 63 -3.015 -3.583 13.610 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -2.941 -3.763 10.678 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -3.248 -2.153 11.298 1.00 0.00 H new ATOM 0 HG CYS A 63 -0.517 -4.143 12.002 1.00 0.00 H new ATOM 1051 N PRO A 64 -5.052 -2.220 14.013 1.00 0.00 N ATOM 1052 CA PRO A 64 -6.269 -1.491 14.324 1.00 0.00 C ATOM 1053 C PRO A 64 -6.447 -0.296 13.386 1.00 0.00 C ATOM 1054 O PRO A 64 -7.571 0.057 13.030 1.00 0.00 O ATOM 1055 CB PRO A 64 -6.122 -1.085 15.782 1.00 0.00 C ATOM 1056 CG PRO A 64 -4.640 -1.195 16.098 1.00 0.00 C ATOM 1057 CD PRO A 64 -3.981 -1.981 14.976 1.00 0.00 C ATOM 0 HA PRO A 64 -7.168 -2.091 14.180 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -6.481 -0.068 15.942 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -6.709 -1.736 16.430 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -4.193 -0.204 16.183 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -4.490 -1.696 17.054 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -3.162 -1.419 14.527 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -3.561 -2.918 15.342 1.00 0.00 H new ATOM 1065 N GLN A 65 -5.322 0.295 13.011 1.00 0.00 N ATOM 1066 CA GLN A 65 -5.340 1.443 12.121 1.00 0.00 C ATOM 1067 C GLN A 65 -5.076 1.001 10.680 1.00 0.00 C ATOM 1068 O GLN A 65 -4.831 1.832 9.807 1.00 0.00 O ATOM 1069 CB GLN A 65 -4.324 2.497 12.565 1.00 0.00 C ATOM 1070 CG GLN A 65 -4.622 3.852 11.919 1.00 0.00 C ATOM 1071 CD GLN A 65 -3.474 4.836 12.155 1.00 0.00 C ATOM 1072 OE1 GLN A 65 -2.328 4.583 11.825 1.00 0.00 O ATOM 1073 NE2 GLN A 65 -3.846 5.969 12.743 1.00 0.00 N ATOM 0 H GLN A 65 -4.392 0.000 13.308 1.00 0.00 H new ATOM 0 HA GLN A 65 -6.330 1.898 12.166 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -4.347 2.595 13.650 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -3.318 2.175 12.295 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -4.780 3.722 10.848 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -5.546 4.260 12.330 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -4.824 6.117 12.993 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -3.154 6.691 12.944 1.00 0.00 H new ATOM 1082 N GLY A 66 -5.136 -0.307 10.475 1.00 0.00 N ATOM 1083 CA GLY A 66 -4.907 -0.869 9.155 1.00 0.00 C ATOM 1084 C GLY A 66 -5.753 -0.153 8.100 1.00 0.00 C ATOM 1085 O GLY A 66 -5.238 0.263 7.063 1.00 0.00 O ATOM 0 H GLY A 66 -5.340 -0.994 11.201 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -3.851 -0.785 8.898 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -5.150 -1.932 9.161 1.00 0.00 H new ATOM 1089 N PRO A 67 -7.072 -0.029 8.408 1.00 0.00 N ATOM 1090 CA PRO A 67 -7.994 0.629 7.498 1.00 0.00 C ATOM 1091 C PRO A 67 -7.808 2.147 7.532 1.00 0.00 C ATOM 1092 O PRO A 67 -7.622 2.777 6.492 1.00 0.00 O ATOM 1093 CB PRO A 67 -9.376 0.190 7.954 1.00 0.00 C ATOM 1094 CG PRO A 67 -9.204 -0.318 9.376 1.00 0.00 C ATOM 1095 CD PRO A 67 -7.717 -0.510 9.626 1.00 0.00 C ATOM 0 HA PRO A 67 -7.826 0.354 6.457 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -10.081 1.021 7.919 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -9.771 -0.592 7.305 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -9.622 0.393 10.089 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -9.739 -1.258 9.513 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -7.386 0.053 10.498 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -7.479 -1.557 9.813 1.00 0.00 H new ATOM 1103 N VAL A 68 -7.864 2.692 8.738 1.00 0.00 N ATOM 1104 CA VAL A 68 -7.703 4.125 8.921 1.00 0.00 C ATOM 1105 C VAL A 68 -6.460 4.595 8.164 1.00 0.00 C ATOM 1106 O VAL A 68 -6.413 5.726 7.682 1.00 0.00 O ATOM 1107 CB VAL A 68 -7.657 4.460 10.413 1.00 0.00 C ATOM 1108 CG1 VAL A 68 -7.722 5.972 10.638 1.00 0.00 C ATOM 1109 CG2 VAL A 68 -8.777 3.744 11.171 1.00 0.00 C ATOM 0 H VAL A 68 -8.019 2.167 9.599 1.00 0.00 H new ATOM 0 HA VAL A 68 -8.557 4.661 8.507 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.705 4.103 10.807 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -7.688 6.183 11.707 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.874 6.450 10.147 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -8.650 6.362 10.221 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -8.721 3.999 12.229 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -9.743 4.055 10.773 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -8.666 2.666 11.052 1.00 0.00 H new ATOM 1119 N SER A 69 -5.483 3.703 8.082 1.00 0.00 N ATOM 1120 CA SER A 69 -4.243 4.013 7.392 1.00 0.00 C ATOM 1121 C SER A 69 -4.505 4.177 5.893 1.00 0.00 C ATOM 1122 O SER A 69 -3.855 4.983 5.230 1.00 0.00 O ATOM 1123 CB SER A 69 -3.193 2.926 7.631 1.00 0.00 C ATOM 1124 OG SER A 69 -2.853 2.807 9.010 1.00 0.00 O ATOM 0 H SER A 69 -5.526 2.766 8.482 1.00 0.00 H new ATOM 0 HA SER A 69 -3.855 4.950 7.791 1.00 0.00 H new ATOM 0 HB2 SER A 69 -3.571 1.971 7.267 1.00 0.00 H new ATOM 0 HB3 SER A 69 -2.296 3.155 7.055 1.00 0.00 H new ATOM 0 HG SER A 69 -3.411 2.117 9.426 1.00 0.00 H new ATOM 1130 N LEU A 70 -5.460 3.399 5.403 1.00 0.00 N ATOM 1131 CA LEU A 70 -5.816 3.448 3.996 1.00 0.00 C ATOM 1132 C LEU A 70 -6.583 4.741 3.713 1.00 0.00 C ATOM 1133 O LEU A 70 -6.180 5.532 2.861 1.00 0.00 O ATOM 1134 CB LEU A 70 -6.574 2.182 3.591 1.00 0.00 C ATOM 1135 CG LEU A 70 -6.052 0.870 4.180 1.00 0.00 C ATOM 1136 CD1 LEU A 70 -7.195 -0.122 4.406 1.00 0.00 C ATOM 1137 CD2 LEU A 70 -4.945 0.279 3.305 1.00 0.00 C ATOM 0 H LEU A 70 -5.998 2.732 5.956 1.00 0.00 H new ATOM 0 HA LEU A 70 -4.919 3.467 3.377 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -7.618 2.298 3.883 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -6.554 2.103 2.504 1.00 0.00 H new ATOM 0 HG LEU A 70 -5.613 1.083 5.155 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -6.797 -1.046 4.825 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -7.919 0.308 5.098 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -7.684 -0.336 3.456 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -4.591 -0.653 3.746 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -5.336 0.083 2.307 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -4.118 0.986 3.238 1.00 0.00 H new ATOM 1149 N GLN A 71 -7.674 4.917 4.443 1.00 0.00 N ATOM 1150 CA GLN A 71 -8.501 6.101 4.281 1.00 0.00 C ATOM 1151 C GLN A 71 -7.694 7.360 4.606 1.00 0.00 C ATOM 1152 O GLN A 71 -7.907 8.411 4.003 1.00 0.00 O ATOM 1153 CB GLN A 71 -9.757 6.015 5.150 1.00 0.00 C ATOM 1154 CG GLN A 71 -9.407 5.601 6.581 1.00 0.00 C ATOM 1155 CD GLN A 71 -10.602 5.797 7.516 1.00 0.00 C ATOM 1156 OE1 GLN A 71 -10.509 6.419 8.562 1.00 0.00 O ATOM 1157 NE2 GLN A 71 -11.726 5.233 7.084 1.00 0.00 N ATOM 0 H GLN A 71 -8.005 4.259 5.149 1.00 0.00 H new ATOM 0 HA GLN A 71 -8.822 6.157 3.241 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -10.263 6.980 5.160 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -10.453 5.295 4.719 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -9.097 4.556 6.596 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -8.562 6.190 6.937 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -11.735 4.726 6.199 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -12.579 5.307 7.638 1.00 0.00 H new ATOM 1166 N ARG A 72 -6.784 7.212 5.558 1.00 0.00 N ATOM 1167 CA ARG A 72 -5.945 8.324 5.970 1.00 0.00 C ATOM 1168 C ARG A 72 -4.819 8.543 4.957 1.00 0.00 C ATOM 1169 O ARG A 72 -4.187 9.598 4.944 1.00 0.00 O ATOM 1170 CB ARG A 72 -5.337 8.073 7.351 1.00 0.00 C ATOM 1171 CG ARG A 72 -6.399 8.184 8.446 1.00 0.00 C ATOM 1172 CD ARG A 72 -6.750 9.647 8.723 1.00 0.00 C ATOM 1173 NE ARG A 72 -6.714 9.910 10.179 1.00 0.00 N ATOM 1174 CZ ARG A 72 -5.597 10.188 10.865 1.00 0.00 C ATOM 1175 NH1 ARG A 72 -4.418 10.243 10.231 1.00 0.00 N ATOM 1176 NH2 ARG A 72 -5.659 10.413 12.184 1.00 0.00 N ATOM 0 H ARG A 72 -6.610 6.339 6.056 1.00 0.00 H new ATOM 0 HA ARG A 72 -6.573 9.213 6.018 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -4.884 7.082 7.378 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -4.540 8.793 7.538 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -7.295 7.642 8.144 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -6.035 7.714 9.360 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -6.046 10.302 8.209 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -7.741 9.873 8.329 1.00 0.00 H new ATOM 0 HE ARG A 72 -7.595 9.878 10.693 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -4.371 10.073 9.226 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -3.568 10.455 10.753 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -6.557 10.373 12.667 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -4.808 10.625 12.706 1.00 0.00 H new ATOM 1190 N GLN A 73 -4.602 7.529 4.132 1.00 0.00 N ATOM 1191 CA GLN A 73 -3.564 7.597 3.118 1.00 0.00 C ATOM 1192 C GLN A 73 -3.947 8.606 2.034 1.00 0.00 C ATOM 1193 O GLN A 73 -3.094 9.335 1.530 1.00 0.00 O ATOM 1194 CB GLN A 73 -3.296 6.217 2.514 1.00 0.00 C ATOM 1195 CG GLN A 73 -1.848 5.785 2.753 1.00 0.00 C ATOM 1196 CD GLN A 73 -1.196 5.310 1.453 1.00 0.00 C ATOM 1197 OE1 GLN A 73 -1.730 5.465 0.368 1.00 0.00 O ATOM 1198 NE2 GLN A 73 -0.014 4.724 1.624 1.00 0.00 N ATOM 0 H GLN A 73 -5.128 6.655 4.145 1.00 0.00 H new ATOM 0 HA GLN A 73 -2.642 7.935 3.591 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -3.975 5.486 2.954 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -3.501 6.239 1.444 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -1.280 6.618 3.166 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -1.821 4.984 3.492 1.00 0.00 H new ATOM 0 HE21 GLN A 73 0.376 4.627 2.561 1.00 0.00 H new ATOM 0 HE22 GLN A 73 0.502 4.372 0.818 1.00 0.00 H new ATOM 1207 N ILE A 74 -5.231 8.616 1.706 1.00 0.00 N ATOM 1208 CA ILE A 74 -5.737 9.523 0.690 1.00 0.00 C ATOM 1209 C ILE A 74 -5.851 10.930 1.280 1.00 0.00 C ATOM 1210 O ILE A 74 -5.746 11.109 2.493 1.00 0.00 O ATOM 1211 CB ILE A 74 -7.047 8.994 0.104 1.00 0.00 C ATOM 1212 CG1 ILE A 74 -6.946 8.837 -1.414 1.00 0.00 C ATOM 1213 CG2 ILE A 74 -8.227 9.879 0.511 1.00 0.00 C ATOM 1214 CD1 ILE A 74 -8.294 9.107 -2.085 1.00 0.00 C ATOM 0 H ILE A 74 -5.936 8.010 2.126 1.00 0.00 H new ATOM 0 HA ILE A 74 -5.042 9.583 -0.147 1.00 0.00 H new ATOM 0 HB ILE A 74 -7.230 8.003 0.518 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -6.197 9.525 -1.805 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -6.610 7.829 -1.657 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -9.146 9.481 0.081 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -8.312 9.895 1.598 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -8.065 10.893 0.145 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -8.194 8.988 -3.164 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -9.035 8.401 -1.710 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -8.615 10.124 -1.860 1.00 0.00 H new ATOM 1226 N PRO A 75 -6.069 11.918 0.372 1.00 0.00 N ATOM 1227 CA PRO A 75 -6.198 13.304 0.790 1.00 0.00 C ATOM 1228 C PRO A 75 -7.559 13.555 1.443 1.00 0.00 C ATOM 1229 O PRO A 75 -7.631 13.933 2.611 1.00 0.00 O ATOM 1230 CB PRO A 75 -5.987 14.118 -0.476 1.00 0.00 C ATOM 1231 CG PRO A 75 -6.210 13.156 -1.632 1.00 0.00 C ATOM 1232 CD PRO A 75 -6.199 11.744 -1.072 1.00 0.00 C ATOM 0 HA PRO A 75 -5.471 13.583 1.552 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -6.685 14.954 -0.524 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -4.982 14.539 -0.507 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -7.160 13.364 -2.124 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -5.429 13.275 -2.383 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -7.115 11.210 -1.326 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -5.370 11.164 -1.477 1.00 0.00 H new ATOM 1240 N LYS A 76 -8.605 13.334 0.659 1.00 0.00 N ATOM 1241 CA LYS A 76 -9.960 13.532 1.146 1.00 0.00 C ATOM 1242 C LYS A 76 -10.294 12.444 2.168 1.00 0.00 C ATOM 1243 O LYS A 76 -11.256 11.698 1.994 1.00 0.00 O ATOM 1244 CB LYS A 76 -10.944 13.601 -0.023 1.00 0.00 C ATOM 1245 CG LYS A 76 -11.633 14.966 -0.080 1.00 0.00 C ATOM 1246 CD LYS A 76 -10.890 15.917 -1.020 1.00 0.00 C ATOM 1247 CE LYS A 76 -10.829 17.329 -0.435 1.00 0.00 C ATOM 1248 NZ LYS A 76 -9.957 17.359 0.760 1.00 0.00 N ATOM 0 H LYS A 76 -8.541 13.020 -0.309 1.00 0.00 H new ATOM 0 HA LYS A 76 -10.044 14.489 1.660 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -10.416 13.417 -0.959 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -11.693 12.816 0.080 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -12.662 14.844 -0.419 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -11.676 15.398 0.920 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -9.879 15.547 -1.193 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -11.390 15.942 -1.988 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -10.451 18.024 -1.185 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -11.832 17.662 -0.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -9.571 18.317 0.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -10.511 17.097 1.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -9.175 16.684 0.636 1.00 0.00 H new ATOM 1262 N LEU A 77 -9.479 12.387 3.212 1.00 0.00 N ATOM 1263 CA LEU A 77 -9.676 11.402 4.262 1.00 0.00 C ATOM 1264 C LEU A 77 -11.083 11.556 4.843 1.00 0.00 C ATOM 1265 O LEU A 77 -11.911 10.655 4.720 1.00 0.00 O ATOM 1266 CB LEU A 77 -8.565 11.505 5.308 1.00 0.00 C ATOM 1267 CG LEU A 77 -7.270 12.177 4.847 1.00 0.00 C ATOM 1268 CD1 LEU A 77 -7.243 13.652 5.255 1.00 0.00 C ATOM 1269 CD2 LEU A 77 -6.045 11.418 5.361 1.00 0.00 C ATOM 0 H LEU A 77 -8.681 13.007 3.353 1.00 0.00 H new ATOM 0 HA LEU A 77 -9.607 10.393 3.855 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -8.951 12.055 6.166 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -8.326 10.500 5.655 1.00 0.00 H new ATOM 0 HG LEU A 77 -7.236 12.143 3.758 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -6.312 14.106 4.916 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -8.087 14.171 4.800 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -7.311 13.731 6.340 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -5.138 11.917 5.019 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -6.060 11.399 6.451 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -6.063 10.397 4.980 1.00 0.00 H new ATOM 1281 N ASP A 78 -11.310 12.705 5.462 1.00 0.00 N ATOM 1282 CA ASP A 78 -12.603 12.989 6.062 1.00 0.00 C ATOM 1283 C ASP A 78 -13.712 12.604 5.081 1.00 0.00 C ATOM 1284 O ASP A 78 -14.838 12.324 5.490 1.00 0.00 O ATOM 1285 CB ASP A 78 -12.748 14.479 6.378 1.00 0.00 C ATOM 1286 CG ASP A 78 -14.189 14.972 6.523 1.00 0.00 C ATOM 1287 OD1 ASP A 78 -14.770 14.719 7.601 1.00 0.00 O ATOM 1288 OD2 ASP A 78 -14.678 15.591 5.554 1.00 0.00 O ATOM 0 H ASP A 78 -10.621 13.450 5.561 1.00 0.00 H new ATOM 0 HA ASP A 78 -12.679 12.415 6.985 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -12.212 14.693 7.303 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -12.262 15.052 5.588 1.00 0.00 H new ATOM 1293 N SER A 79 -13.354 12.601 3.805 1.00 0.00 N ATOM 1294 CA SER A 79 -14.305 12.255 2.762 1.00 0.00 C ATOM 1295 C SER A 79 -14.411 10.733 2.636 1.00 0.00 C ATOM 1296 O SER A 79 -15.492 10.168 2.796 1.00 0.00 O ATOM 1297 CB SER A 79 -13.901 12.871 1.422 1.00 0.00 C ATOM 1298 OG SER A 79 -14.814 13.881 1.002 1.00 0.00 O ATOM 0 H SER A 79 -12.419 12.833 3.470 1.00 0.00 H new ATOM 0 HA SER A 79 -15.279 12.660 3.038 1.00 0.00 H new ATOM 0 HB2 SER A 79 -12.902 13.298 1.506 1.00 0.00 H new ATOM 0 HB3 SER A 79 -13.851 12.089 0.664 1.00 0.00 H new ATOM 0 HG SER A 79 -14.382 14.758 1.063 1.00 0.00 H new ATOM 1304 N VAL A 80 -13.276 10.114 2.350 1.00 0.00 N ATOM 1305 CA VAL A 80 -13.228 8.670 2.200 1.00 0.00 C ATOM 1306 C VAL A 80 -13.285 8.016 3.583 1.00 0.00 C ATOM 1307 O VAL A 80 -14.011 7.044 3.784 1.00 0.00 O ATOM 1308 CB VAL A 80 -11.988 8.267 1.400 1.00 0.00 C ATOM 1309 CG1 VAL A 80 -10.707 8.671 2.133 1.00 0.00 C ATOM 1310 CG2 VAL A 80 -11.995 6.768 1.094 1.00 0.00 C ATOM 0 H VAL A 80 -12.382 10.586 2.218 1.00 0.00 H new ATOM 0 HA VAL A 80 -14.091 8.316 1.636 1.00 0.00 H new ATOM 0 HB VAL A 80 -12.014 8.802 0.451 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -9.841 8.373 1.543 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -10.695 9.752 2.275 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -10.672 8.177 3.104 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -11.102 6.509 0.525 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -12.006 6.206 2.028 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -12.882 6.520 0.511 1.00 0.00 H new ATOM 1320 N LEU A 81 -12.510 8.576 4.500 1.00 0.00 N ATOM 1321 CA LEU A 81 -12.464 8.060 5.857 1.00 0.00 C ATOM 1322 C LEU A 81 -13.888 7.948 6.404 1.00 0.00 C ATOM 1323 O LEU A 81 -14.119 7.279 7.411 1.00 0.00 O ATOM 1324 CB LEU A 81 -11.538 8.915 6.724 1.00 0.00 C ATOM 1325 CG LEU A 81 -12.172 10.149 7.369 1.00 0.00 C ATOM 1326 CD1 LEU A 81 -13.278 9.748 8.348 1.00 0.00 C ATOM 1327 CD2 LEU A 81 -11.111 11.028 8.033 1.00 0.00 C ATOM 0 H LEU A 81 -11.909 9.382 4.330 1.00 0.00 H new ATOM 0 HA LEU A 81 -12.038 7.057 5.869 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -11.130 8.286 7.515 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -10.698 9.241 6.111 1.00 0.00 H new ATOM 0 HG LEU A 81 -12.637 10.744 6.583 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -13.712 10.643 8.793 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -14.052 9.195 7.816 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -12.858 9.120 9.134 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -11.589 11.898 8.483 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -10.596 10.456 8.805 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -10.391 11.357 7.284 1.00 0.00 H new ATOM 1339 N LYS A 82 -14.806 8.612 5.717 1.00 0.00 N ATOM 1340 CA LYS A 82 -16.201 8.595 6.122 1.00 0.00 C ATOM 1341 C LYS A 82 -17.015 7.802 5.098 1.00 0.00 C ATOM 1342 O LYS A 82 -16.903 6.579 5.023 1.00 0.00 O ATOM 1343 CB LYS A 82 -16.712 10.020 6.343 1.00 0.00 C ATOM 1344 CG LYS A 82 -18.076 10.012 7.038 1.00 0.00 C ATOM 1345 CD LYS A 82 -17.986 9.351 8.415 1.00 0.00 C ATOM 1346 CE LYS A 82 -18.563 10.263 9.499 1.00 0.00 C ATOM 1347 NZ LYS A 82 -18.701 9.527 10.776 1.00 0.00 N ATOM 0 H LYS A 82 -14.611 9.165 4.883 1.00 0.00 H new ATOM 0 HA LYS A 82 -16.313 8.088 7.081 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -15.996 10.578 6.946 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -16.791 10.535 5.385 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -18.440 11.034 7.144 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -18.799 9.479 6.421 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -18.527 8.405 8.404 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -16.946 9.120 8.644 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -17.914 11.127 9.639 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -19.535 10.642 9.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -19.094 10.161 11.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -19.338 8.716 10.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -17.768 9.186 11.083 1.00 0.00 H new ATOM 1361 N TYR A 83 -17.816 8.530 4.334 1.00 0.00 N ATOM 1362 CA TYR A 83 -18.649 7.910 3.317 1.00 0.00 C ATOM 1363 C TYR A 83 -18.582 8.691 2.003 1.00 0.00 C ATOM 1364 O TYR A 83 -19.240 8.329 1.028 1.00 0.00 O ATOM 1365 CB TYR A 83 -20.080 7.961 3.855 1.00 0.00 C ATOM 1366 CG TYR A 83 -20.359 6.960 4.978 1.00 0.00 C ATOM 1367 CD1 TYR A 83 -19.973 5.642 4.840 1.00 0.00 C ATOM 1368 CD2 TYR A 83 -20.997 7.375 6.130 1.00 0.00 C ATOM 1369 CE1 TYR A 83 -20.235 4.700 5.897 1.00 0.00 C ATOM 1370 CE2 TYR A 83 -21.259 6.433 7.187 1.00 0.00 C ATOM 1371 CZ TYR A 83 -20.866 5.142 7.018 1.00 0.00 C ATOM 1372 OH TYR A 83 -21.114 4.252 8.016 1.00 0.00 O ATOM 0 H TYR A 83 -17.906 9.544 4.399 1.00 0.00 H new ATOM 0 HA TYR A 83 -18.315 6.892 3.115 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -20.284 8.967 4.220 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -20.773 7.773 3.035 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -19.474 5.317 3.939 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -21.300 8.406 6.238 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -19.937 3.666 5.802 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -21.756 6.745 8.094 1.00 0.00 H new ATOM 0 HH TYR A 83 -21.569 4.708 8.755 1.00 0.00 H new ATOM 1382 N LYS A 84 -17.782 9.746 2.019 1.00 0.00 N ATOM 1383 CA LYS A 84 -17.621 10.581 0.840 1.00 0.00 C ATOM 1384 C LYS A 84 -16.977 9.759 -0.278 1.00 0.00 C ATOM 1385 O LYS A 84 -17.300 8.585 -0.455 1.00 0.00 O ATOM 1386 CB LYS A 84 -16.851 11.856 1.188 1.00 0.00 C ATOM 1387 CG LYS A 84 -17.560 13.094 0.634 1.00 0.00 C ATOM 1388 CD LYS A 84 -17.846 12.939 -0.861 1.00 0.00 C ATOM 1389 CE LYS A 84 -16.829 13.718 -1.697 1.00 0.00 C ATOM 1390 NZ LYS A 84 -17.196 15.151 -1.755 1.00 0.00 N ATOM 0 H LYS A 84 -17.238 10.042 2.829 1.00 0.00 H new ATOM 0 HA LYS A 84 -18.592 10.913 0.473 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -16.754 11.942 2.270 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -15.842 11.798 0.781 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -18.494 13.254 1.172 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -16.942 13.976 0.800 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -17.814 11.884 -1.134 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -18.852 13.295 -1.081 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -15.834 13.608 -1.265 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -16.786 13.306 -2.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -16.496 15.666 -2.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -18.137 15.251 -2.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -17.214 15.544 -0.792 1.00 0.00 H new ATOM 1404 N HIS A 85 -16.077 10.408 -1.003 1.00 0.00 N ATOM 1405 CA HIS A 85 -15.385 9.751 -2.098 1.00 0.00 C ATOM 1406 C HIS A 85 -15.360 8.240 -1.858 1.00 0.00 C ATOM 1407 O HIS A 85 -15.464 7.457 -2.801 1.00 0.00 O ATOM 1408 CB HIS A 85 -13.988 10.344 -2.291 1.00 0.00 C ATOM 1409 CG HIS A 85 -13.989 11.784 -2.746 1.00 0.00 C ATOM 1410 ND1 HIS A 85 -14.957 12.303 -3.588 1.00 0.00 N ATOM 1411 CD2 HIS A 85 -13.132 12.807 -2.468 1.00 0.00 C ATOM 1412 CE1 HIS A 85 -14.684 13.582 -3.801 1.00 0.00 C ATOM 1413 NE2 HIS A 85 -13.552 13.893 -3.106 1.00 0.00 N ATOM 0 H HIS A 85 -15.812 11.381 -0.853 1.00 0.00 H new ATOM 0 HA HIS A 85 -15.923 9.926 -3.030 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -13.441 10.271 -1.351 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -13.447 9.743 -3.022 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -12.259 12.745 -1.836 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -15.257 14.259 -4.417 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -13.103 14.808 -3.081 1.00 0.00 H new ATOM 1421 N THR A 86 -15.222 7.877 -0.592 1.00 0.00 N ATOM 1422 CA THR A 86 -15.182 6.474 -0.215 1.00 0.00 C ATOM 1423 C THR A 86 -16.316 5.707 -0.899 1.00 0.00 C ATOM 1424 O THR A 86 -16.190 4.512 -1.163 1.00 0.00 O ATOM 1425 CB THR A 86 -15.227 6.393 1.312 1.00 0.00 C ATOM 1426 OG1 THR A 86 -15.664 5.062 1.576 1.00 0.00 O ATOM 1427 CG2 THR A 86 -16.326 7.272 1.913 1.00 0.00 C ATOM 0 H THR A 86 -15.136 8.530 0.187 1.00 0.00 H new ATOM 0 HA THR A 86 -14.261 5.999 -0.552 1.00 0.00 H new ATOM 0 HB THR A 86 -14.261 6.690 1.720 1.00 0.00 H new ATOM 0 HG1 THR A 86 -15.720 4.922 2.544 1.00 0.00 H new ATOM 0 HG21 THR A 86 -16.314 7.178 2.999 1.00 0.00 H new ATOM 0 HG22 THR A 86 -16.152 8.312 1.637 1.00 0.00 H new ATOM 0 HG23 THR A 86 -17.296 6.953 1.532 1.00 0.00 H new ATOM 1435 N ASP A 87 -17.398 6.424 -1.164 1.00 0.00 N ATOM 1436 CA ASP A 87 -18.553 5.826 -1.811 1.00 0.00 C ATOM 1437 C ASP A 87 -18.079 4.878 -2.915 1.00 0.00 C ATOM 1438 O ASP A 87 -16.952 4.386 -2.875 1.00 0.00 O ATOM 1439 CB ASP A 87 -19.439 6.894 -2.454 1.00 0.00 C ATOM 1440 CG ASP A 87 -20.920 6.816 -2.079 1.00 0.00 C ATOM 1441 OD1 ASP A 87 -21.220 6.112 -1.091 1.00 0.00 O ATOM 1442 OD2 ASP A 87 -21.720 7.463 -2.790 1.00 0.00 O ATOM 0 H ASP A 87 -17.499 7.414 -0.942 1.00 0.00 H new ATOM 0 HA ASP A 87 -19.125 5.292 -1.053 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -19.060 7.877 -2.173 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -19.349 6.815 -3.537 1.00 0.00 H new ATOM 1447 N PRO A 88 -18.987 4.643 -3.900 1.00 0.00 N ATOM 1448 CA PRO A 88 -18.674 3.763 -5.013 1.00 0.00 C ATOM 1449 C PRO A 88 -17.725 4.445 -6.001 1.00 0.00 C ATOM 1450 O PRO A 88 -17.597 4.010 -7.144 1.00 0.00 O ATOM 1451 CB PRO A 88 -20.019 3.411 -5.626 1.00 0.00 C ATOM 1452 CG PRO A 88 -20.993 4.467 -5.131 1.00 0.00 C ATOM 1453 CD PRO A 88 -20.331 5.208 -3.980 1.00 0.00 C ATOM 0 HA PRO A 88 -18.146 2.862 -4.702 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -19.964 3.411 -6.715 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -20.337 2.414 -5.323 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -21.247 5.158 -5.934 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -21.924 4.004 -4.802 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -20.299 6.281 -4.166 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -20.878 5.062 -3.048 1.00 0.00 H new ATOM 1461 N THR A 89 -17.086 5.503 -5.524 1.00 0.00 N ATOM 1462 CA THR A 89 -16.153 6.249 -6.352 1.00 0.00 C ATOM 1463 C THR A 89 -14.753 5.639 -6.260 1.00 0.00 C ATOM 1464 O THR A 89 -14.055 5.523 -7.266 1.00 0.00 O ATOM 1465 CB THR A 89 -16.207 7.716 -5.920 1.00 0.00 C ATOM 1466 OG1 THR A 89 -16.218 8.439 -7.148 1.00 0.00 O ATOM 1467 CG2 THR A 89 -14.919 8.171 -5.231 1.00 0.00 C ATOM 0 H THR A 89 -17.196 5.861 -4.575 1.00 0.00 H new ATOM 0 HA THR A 89 -16.428 6.195 -7.405 1.00 0.00 H new ATOM 0 HB THR A 89 -17.051 7.865 -5.247 1.00 0.00 H new ATOM 0 HG1 THR A 89 -15.391 8.258 -7.642 1.00 0.00 H new ATOM 0 HG21 THR A 89 -15.010 9.219 -4.945 1.00 0.00 H new ATOM 0 HG22 THR A 89 -14.749 7.565 -4.341 1.00 0.00 H new ATOM 0 HG23 THR A 89 -14.079 8.054 -5.916 1.00 0.00 H new ATOM 1475 N PHE A 90 -14.383 5.266 -5.043 1.00 0.00 N ATOM 1476 CA PHE A 90 -13.079 4.672 -4.807 1.00 0.00 C ATOM 1477 C PHE A 90 -13.196 3.161 -4.592 1.00 0.00 C ATOM 1478 O PHE A 90 -12.205 2.438 -4.691 1.00 0.00 O ATOM 1479 CB PHE A 90 -12.519 5.314 -3.536 1.00 0.00 C ATOM 1480 CG PHE A 90 -11.710 6.588 -3.787 1.00 0.00 C ATOM 1481 CD1 PHE A 90 -10.925 6.689 -4.893 1.00 0.00 C ATOM 1482 CD2 PHE A 90 -11.776 7.620 -2.904 1.00 0.00 C ATOM 1483 CE1 PHE A 90 -10.175 7.871 -5.127 1.00 0.00 C ATOM 1484 CE2 PHE A 90 -11.025 8.803 -3.137 1.00 0.00 C ATOM 1485 CZ PHE A 90 -10.240 8.903 -4.244 1.00 0.00 C ATOM 0 H PHE A 90 -14.964 5.364 -4.210 1.00 0.00 H new ATOM 0 HA PHE A 90 -12.432 4.841 -5.668 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -13.345 5.547 -2.864 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -11.886 4.589 -3.023 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -10.872 5.869 -5.594 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -12.399 7.540 -2.026 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -9.553 7.951 -6.006 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -11.077 9.623 -2.436 1.00 0.00 H new ATOM 0 HZ PHE A 90 -9.669 9.802 -4.421 1.00 0.00 H new ATOM 1495 N GLY A 91 -14.414 2.730 -4.302 1.00 0.00 N ATOM 1496 CA GLY A 91 -14.673 1.318 -4.073 1.00 0.00 C ATOM 1497 C GLY A 91 -14.069 0.462 -5.187 1.00 0.00 C ATOM 1498 O GLY A 91 -13.057 0.831 -5.780 1.00 0.00 O ATOM 0 H GLY A 91 -15.233 3.333 -4.220 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -14.254 1.019 -3.112 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -15.748 1.146 -4.020 1.00 0.00 H new ATOM 1502 N MET A 92 -14.717 -0.667 -5.439 1.00 0.00 N ATOM 1503 CA MET A 92 -14.256 -1.579 -6.473 1.00 0.00 C ATOM 1504 C MET A 92 -12.930 -1.105 -7.071 1.00 0.00 C ATOM 1505 O MET A 92 -11.880 -1.683 -6.799 1.00 0.00 O ATOM 1506 CB MET A 92 -15.311 -1.673 -7.577 1.00 0.00 C ATOM 1507 CG MET A 92 -16.010 -0.329 -7.784 1.00 0.00 C ATOM 1508 SD MET A 92 -17.271 -0.099 -6.541 1.00 0.00 S ATOM 1509 CE MET A 92 -17.102 1.654 -6.249 1.00 0.00 C ATOM 0 H MET A 92 -15.557 -0.970 -4.945 1.00 0.00 H new ATOM 0 HA MET A 92 -14.099 -2.560 -6.024 1.00 0.00 H new ATOM 0 HB2 MET A 92 -14.841 -1.989 -8.508 1.00 0.00 H new ATOM 0 HB3 MET A 92 -16.047 -2.434 -7.317 1.00 0.00 H new ATOM 0 HG2 MET A 92 -15.282 0.481 -7.730 1.00 0.00 H new ATOM 0 HG3 MET A 92 -16.456 -0.291 -8.778 1.00 0.00 H new ATOM 0 HE1 MET A 92 -17.323 1.872 -5.204 1.00 0.00 H new ATOM 0 HE2 MET A 92 -16.082 1.964 -6.476 1.00 0.00 H new ATOM 0 HE3 MET A 92 -17.797 2.198 -6.888 1.00 0.00 H new ATOM 1519 N ASP A 93 -13.023 -0.056 -7.876 1.00 0.00 N ATOM 1520 CA ASP A 93 -11.844 0.502 -8.516 1.00 0.00 C ATOM 1521 C ASP A 93 -11.561 1.888 -7.933 1.00 0.00 C ATOM 1522 O ASP A 93 -12.208 2.866 -8.306 1.00 0.00 O ATOM 1523 CB ASP A 93 -12.056 0.657 -10.023 1.00 0.00 C ATOM 1524 CG ASP A 93 -11.514 -0.494 -10.874 1.00 0.00 C ATOM 1525 OD1 ASP A 93 -10.572 -1.159 -10.394 1.00 0.00 O ATOM 1526 OD2 ASP A 93 -12.055 -0.681 -11.985 1.00 0.00 O ATOM 0 H ASP A 93 -13.896 0.422 -8.099 1.00 0.00 H new ATOM 0 HA ASP A 93 -11.010 -0.177 -8.338 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -13.124 0.760 -10.216 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -11.583 1.583 -10.348 1.00 0.00 H new ATOM 1531 N LEU A 94 -10.594 1.929 -7.028 1.00 0.00 N ATOM 1532 CA LEU A 94 -10.218 3.179 -6.391 1.00 0.00 C ATOM 1533 C LEU A 94 -9.166 3.887 -7.247 1.00 0.00 C ATOM 1534 O LEU A 94 -9.263 5.090 -7.487 1.00 0.00 O ATOM 1535 CB LEU A 94 -9.771 2.932 -4.948 1.00 0.00 C ATOM 1536 CG LEU A 94 -8.282 3.133 -4.663 1.00 0.00 C ATOM 1537 CD1 LEU A 94 -7.444 2.037 -5.324 1.00 0.00 C ATOM 1538 CD2 LEU A 94 -7.828 4.533 -5.083 1.00 0.00 C ATOM 0 H LEU A 94 -10.060 1.116 -6.721 1.00 0.00 H new ATOM 0 HA LEU A 94 -11.078 3.846 -6.325 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -10.338 3.595 -4.295 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -10.038 1.911 -4.676 1.00 0.00 H new ATOM 0 HG LEU A 94 -8.126 3.052 -3.587 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -6.389 2.204 -5.106 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -7.746 1.064 -4.936 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -7.599 2.061 -6.403 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -6.766 4.650 -4.870 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -8.001 4.666 -6.151 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -8.394 5.281 -4.528 1.00 0.00 H new ATOM 1550 N GLN A 95 -8.185 3.111 -7.685 1.00 0.00 N ATOM 1551 CA GLN A 95 -7.117 3.649 -8.509 1.00 0.00 C ATOM 1552 C GLN A 95 -7.697 4.344 -9.743 1.00 0.00 C ATOM 1553 O GLN A 95 -7.080 5.256 -10.293 1.00 0.00 O ATOM 1554 CB GLN A 95 -6.130 2.551 -8.912 1.00 0.00 C ATOM 1555 CG GLN A 95 -4.760 3.143 -9.251 1.00 0.00 C ATOM 1556 CD GLN A 95 -4.246 2.605 -10.588 1.00 0.00 C ATOM 1557 OE1 GLN A 95 -3.143 2.097 -10.700 1.00 0.00 O ATOM 1558 NE2 GLN A 95 -5.105 2.746 -11.594 1.00 0.00 N ATOM 0 H GLN A 95 -8.108 2.114 -7.484 1.00 0.00 H new ATOM 0 HA GLN A 95 -6.570 4.388 -7.924 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -6.028 1.832 -8.099 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -6.518 2.006 -9.773 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -4.830 4.230 -9.295 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -4.050 2.901 -8.460 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -6.013 3.181 -11.432 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -4.855 2.419 -12.527 1.00 0.00 H new ATOM 1567 N LYS A 96 -8.875 3.888 -10.140 1.00 0.00 N ATOM 1568 CA LYS A 96 -9.545 4.456 -11.298 1.00 0.00 C ATOM 1569 C LYS A 96 -9.986 5.885 -10.977 1.00 0.00 C ATOM 1570 O LYS A 96 -10.081 6.725 -11.872 1.00 0.00 O ATOM 1571 CB LYS A 96 -10.689 3.547 -11.754 1.00 0.00 C ATOM 1572 CG LYS A 96 -10.163 2.174 -12.177 1.00 0.00 C ATOM 1573 CD LYS A 96 -8.846 2.304 -12.945 1.00 0.00 C ATOM 1574 CE LYS A 96 -8.994 3.259 -14.131 1.00 0.00 C ATOM 1575 NZ LYS A 96 -9.552 2.548 -15.303 1.00 0.00 N ATOM 0 H LYS A 96 -9.383 3.132 -9.681 1.00 0.00 H new ATOM 0 HA LYS A 96 -8.859 4.516 -12.143 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -11.410 3.431 -10.945 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -11.217 4.011 -12.587 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -10.014 1.550 -11.296 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -10.904 1.673 -12.800 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -8.066 2.667 -12.276 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -8.530 1.323 -13.301 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -9.645 4.089 -13.858 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -8.024 3.686 -14.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -9.646 3.211 -16.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -8.916 1.771 -15.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -10.487 2.162 -15.062 1.00 0.00 H new ATOM 1589 N CYS A 97 -10.243 6.118 -9.699 1.00 0.00 N ATOM 1590 CA CYS A 97 -10.672 7.432 -9.249 1.00 0.00 C ATOM 1591 C CYS A 97 -9.447 8.183 -8.722 1.00 0.00 C ATOM 1592 O CYS A 97 -9.297 9.380 -8.963 1.00 0.00 O ATOM 1593 CB CYS A 97 -11.778 7.336 -8.197 1.00 0.00 C ATOM 1594 SG CYS A 97 -13.366 7.909 -8.904 1.00 0.00 S ATOM 0 H CYS A 97 -10.163 5.419 -8.960 1.00 0.00 H new ATOM 0 HA CYS A 97 -11.103 7.983 -10.085 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -11.875 6.307 -7.852 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -11.518 7.941 -7.328 1.00 0.00 H new ATOM 0 HG CYS A 97 -14.300 7.049 -8.626 1.00 0.00 H new ATOM 1600 N VAL A 98 -8.602 7.448 -8.014 1.00 0.00 N ATOM 1601 CA VAL A 98 -7.395 8.029 -7.451 1.00 0.00 C ATOM 1602 C VAL A 98 -6.370 8.245 -8.567 1.00 0.00 C ATOM 1603 O VAL A 98 -5.560 9.168 -8.501 1.00 0.00 O ATOM 1604 CB VAL A 98 -6.868 7.147 -6.318 1.00 0.00 C ATOM 1605 CG1 VAL A 98 -5.339 7.107 -6.319 1.00 0.00 C ATOM 1606 CG2 VAL A 98 -7.403 7.617 -4.963 1.00 0.00 C ATOM 0 H VAL A 98 -8.729 6.455 -7.817 1.00 0.00 H new ATOM 0 HA VAL A 98 -7.609 9.004 -7.013 1.00 0.00 H new ATOM 0 HB VAL A 98 -7.229 6.133 -6.488 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -4.991 6.473 -5.503 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -4.986 6.704 -7.268 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -4.949 8.116 -6.186 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -7.013 6.973 -4.175 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -7.085 8.644 -4.783 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -8.492 7.569 -4.965 1.00 0.00 H new ATOM 1616 N GLN A 99 -6.438 7.377 -9.565 1.00 0.00 N ATOM 1617 CA GLN A 99 -5.527 7.460 -10.693 1.00 0.00 C ATOM 1618 C GLN A 99 -5.160 8.919 -10.973 1.00 0.00 C ATOM 1619 O GLN A 99 -4.013 9.224 -11.295 1.00 0.00 O ATOM 1620 CB GLN A 99 -6.128 6.799 -11.935 1.00 0.00 C ATOM 1621 CG GLN A 99 -7.632 7.067 -12.025 1.00 0.00 C ATOM 1622 CD GLN A 99 -7.922 8.267 -12.928 1.00 0.00 C ATOM 1623 OE1 GLN A 99 -8.617 9.200 -12.560 1.00 0.00 O ATOM 1624 NE2 GLN A 99 -7.352 8.191 -14.128 1.00 0.00 N ATOM 0 H GLN A 99 -7.111 6.612 -9.616 1.00 0.00 H new ATOM 0 HA GLN A 99 -4.616 6.918 -10.438 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -5.633 7.179 -12.829 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -5.948 5.725 -11.903 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -8.140 6.184 -12.413 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -8.032 7.252 -11.028 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -6.782 7.381 -14.371 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -7.485 8.943 -14.804 1.00 0.00 H new ATOM 1633 N ARG A 100 -6.156 9.782 -10.839 1.00 0.00 N ATOM 1634 CA ARG A 100 -5.953 11.202 -11.073 1.00 0.00 C ATOM 1635 C ARG A 100 -7.268 11.963 -10.895 1.00 0.00 C ATOM 1636 O ARG A 100 -7.271 13.109 -10.448 1.00 0.00 O ATOM 1637 CB ARG A 100 -5.412 11.456 -12.481 1.00 0.00 C ATOM 1638 CG ARG A 100 -6.546 11.490 -13.507 1.00 0.00 C ATOM 1639 CD ARG A 100 -7.135 12.897 -13.628 1.00 0.00 C ATOM 1640 NE ARG A 100 -8.596 12.817 -13.850 1.00 0.00 N ATOM 1641 CZ ARG A 100 -9.393 13.885 -13.993 1.00 0.00 C ATOM 1642 NH1 ARG A 100 -8.876 15.120 -13.937 1.00 0.00 N ATOM 1643 NH2 ARG A 100 -10.708 13.717 -14.192 1.00 0.00 N ATOM 0 H ARG A 100 -7.106 9.525 -10.571 1.00 0.00 H new ATOM 0 HA ARG A 100 -5.223 11.557 -10.346 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -4.870 12.402 -12.501 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -4.700 10.675 -12.747 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -6.173 11.164 -14.478 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -7.327 10.789 -13.214 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -6.927 13.466 -12.722 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -6.662 13.428 -14.454 1.00 0.00 H new ATOM 0 HE ARG A 100 -9.023 11.892 -13.897 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -7.875 15.248 -13.785 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -9.483 15.932 -14.046 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -11.101 12.777 -14.234 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -11.315 14.529 -14.301 1.00 0.00 H new ATOM 1657 N GLY A 101 -8.355 11.295 -11.253 1.00 0.00 N ATOM 1658 CA GLY A 101 -9.674 11.894 -11.139 1.00 0.00 C ATOM 1659 C GLY A 101 -9.896 12.466 -9.737 1.00 0.00 C ATOM 1660 O GLY A 101 -9.521 13.604 -9.461 1.00 0.00 O ATOM 0 H GLY A 101 -8.349 10.344 -11.622 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -9.783 12.686 -11.880 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -10.437 11.146 -11.356 1.00 0.00 H new ATOM 1664 N LEU A 102 -10.505 11.649 -8.890 1.00 0.00 N ATOM 1665 CA LEU A 102 -10.782 12.060 -7.523 1.00 0.00 C ATOM 1666 C LEU A 102 -9.654 12.968 -7.030 1.00 0.00 C ATOM 1667 O LEU A 102 -9.725 14.187 -7.177 1.00 0.00 O ATOM 1668 CB LEU A 102 -11.021 10.837 -6.635 1.00 0.00 C ATOM 1669 CG LEU A 102 -11.988 11.037 -5.466 1.00 0.00 C ATOM 1670 CD1 LEU A 102 -11.303 11.759 -4.304 1.00 0.00 C ATOM 1671 CD2 LEU A 102 -13.257 11.759 -5.922 1.00 0.00 C ATOM 0 H LEU A 102 -10.814 10.705 -9.123 1.00 0.00 H new ATOM 0 HA LEU A 102 -11.702 12.642 -7.478 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -11.399 10.027 -7.259 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -10.061 10.510 -6.235 1.00 0.00 H new ATOM 0 HG LEU A 102 -12.290 10.055 -5.101 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -12.013 11.888 -3.487 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -10.455 11.168 -3.958 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -10.953 12.736 -4.638 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -13.927 11.888 -5.072 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -12.994 12.735 -6.329 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -13.755 11.168 -6.691 1.00 0.00 H new ATOM 1683 N TRP A 103 -8.640 12.339 -6.454 1.00 0.00 N ATOM 1684 CA TRP A 103 -7.499 13.076 -5.938 1.00 0.00 C ATOM 1685 C TRP A 103 -6.244 12.234 -6.181 1.00 0.00 C ATOM 1686 O TRP A 103 -6.333 11.022 -6.373 1.00 0.00 O ATOM 1687 CB TRP A 103 -7.700 13.437 -4.465 1.00 0.00 C ATOM 1688 CG TRP A 103 -8.284 14.834 -4.241 1.00 0.00 C ATOM 1689 CD1 TRP A 103 -9.481 15.299 -4.626 1.00 0.00 C ATOM 1690 CD2 TRP A 103 -7.644 15.934 -3.561 1.00 0.00 C ATOM 1691 NE1 TRP A 103 -9.658 16.613 -4.245 1.00 0.00 N ATOM 1692 CE2 TRP A 103 -8.506 17.012 -3.577 1.00 0.00 C ATOM 1693 CE3 TRP A 103 -6.380 16.016 -2.953 1.00 0.00 C ATOM 1694 CZ2 TRP A 103 -8.197 18.249 -3.000 1.00 0.00 C ATOM 1695 CZ3 TRP A 103 -6.085 17.260 -2.381 1.00 0.00 C ATOM 1696 CH2 TRP A 103 -6.942 18.355 -2.388 1.00 0.00 C ATOM 0 H TRP A 103 -8.585 11.328 -6.333 1.00 0.00 H new ATOM 0 HA TRP A 103 -7.387 14.027 -6.458 1.00 0.00 H new ATOM 0 HB2 TRP A 103 -8.361 12.700 -4.008 1.00 0.00 H new ATOM 0 HB3 TRP A 103 -6.742 13.368 -3.950 1.00 0.00 H new ATOM 0 HD1 TRP A 103 -10.214 14.718 -5.166 1.00 0.00 H new ATOM 0 HE1 TRP A 103 -10.483 17.187 -4.421 1.00 0.00 H new ATOM 0 HE3 TRP A 103 -5.690 15.185 -2.929 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 -8.889 19.077 -3.025 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 -5.125 17.377 -1.901 1.00 0.00 H new ATOM 0 HH2 TRP A 103 -6.641 19.283 -1.924 1.00 0.00 H new ATOM 1707 N ASN A 104 -5.105 12.910 -6.164 1.00 0.00 N ATOM 1708 CA ASN A 104 -3.834 12.240 -6.380 1.00 0.00 C ATOM 1709 C ASN A 104 -3.078 12.149 -5.053 1.00 0.00 C ATOM 1710 O ASN A 104 -2.394 13.092 -4.658 1.00 0.00 O ATOM 1711 CB ASN A 104 -2.962 13.017 -7.368 1.00 0.00 C ATOM 1712 CG ASN A 104 -3.693 13.229 -8.696 1.00 0.00 C ATOM 1713 OD1 ASN A 104 -3.376 12.632 -9.711 1.00 0.00 O ATOM 1714 ND2 ASN A 104 -4.687 14.111 -8.631 1.00 0.00 N ATOM 0 H ASN A 104 -5.036 13.915 -6.004 1.00 0.00 H new ATOM 0 HA ASN A 104 -4.040 11.249 -6.783 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -2.692 13.982 -6.939 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -2.033 12.475 -7.543 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -5.236 14.323 -9.464 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -4.900 14.576 -7.748 1.00 0.00 H new ATOM 1721 N PRO A 105 -3.230 10.974 -4.384 1.00 0.00 N ATOM 1722 CA PRO A 105 -2.570 10.748 -3.110 1.00 0.00 C ATOM 1723 C PRO A 105 -1.076 10.482 -3.305 1.00 0.00 C ATOM 1724 O PRO A 105 -0.308 10.503 -2.345 1.00 0.00 O ATOM 1725 CB PRO A 105 -3.306 9.572 -2.489 1.00 0.00 C ATOM 1726 CG PRO A 105 -4.041 8.890 -3.632 1.00 0.00 C ATOM 1727 CD PRO A 105 -4.032 9.836 -4.822 1.00 0.00 C ATOM 0 HA PRO A 105 -2.612 11.618 -2.455 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -2.610 8.885 -2.008 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -4.003 9.909 -1.722 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -3.557 7.948 -3.889 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -5.064 8.653 -3.340 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -3.598 9.361 -5.702 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -5.042 10.144 -5.091 1.00 0.00 H new ATOM 1735 N LYS A 106 -0.710 10.239 -4.555 1.00 0.00 N ATOM 1736 CA LYS A 106 0.678 9.970 -4.889 1.00 0.00 C ATOM 1737 C LYS A 106 1.345 9.234 -3.725 1.00 0.00 C ATOM 1738 O LYS A 106 2.489 9.523 -3.377 1.00 0.00 O ATOM 1739 CB LYS A 106 1.393 11.261 -5.290 1.00 0.00 C ATOM 1740 CG LYS A 106 0.446 12.460 -5.208 1.00 0.00 C ATOM 1741 CD LYS A 106 0.226 12.887 -3.756 1.00 0.00 C ATOM 1742 CE LYS A 106 1.428 12.513 -2.886 1.00 0.00 C ATOM 1743 NZ LYS A 106 2.651 13.188 -3.375 1.00 0.00 N ATOM 0 H LYS A 106 -1.351 10.223 -5.349 1.00 0.00 H new ATOM 0 HA LYS A 106 0.740 9.315 -5.758 1.00 0.00 H new ATOM 0 HB2 LYS A 106 2.250 11.424 -4.637 1.00 0.00 H new ATOM 0 HB3 LYS A 106 1.779 11.167 -6.305 1.00 0.00 H new ATOM 0 HG2 LYS A 106 0.858 13.293 -5.777 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -0.510 12.204 -5.664 1.00 0.00 H new ATOM 0 HD2 LYS A 106 0.061 13.963 -3.711 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -0.673 12.410 -3.365 1.00 0.00 H new ATOM 0 HE2 LYS A 106 1.238 12.797 -1.851 1.00 0.00 H new ATOM 0 HE3 LYS A 106 1.572 11.433 -2.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 3.420 12.493 -3.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 2.463 13.616 -4.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 2.930 13.930 -2.702 1.00 0.00 H new ATOM 1757 N GLU A 107 0.601 8.297 -3.155 1.00 0.00 N ATOM 1758 CA GLU A 107 1.105 7.518 -2.037 1.00 0.00 C ATOM 1759 C GLU A 107 1.131 6.031 -2.396 1.00 0.00 C ATOM 1760 O GLU A 107 0.380 5.584 -3.261 1.00 0.00 O ATOM 1761 CB GLU A 107 0.273 7.764 -0.777 1.00 0.00 C ATOM 1762 CG GLU A 107 0.787 8.984 -0.010 1.00 0.00 C ATOM 1763 CD GLU A 107 2.284 8.858 0.282 1.00 0.00 C ATOM 1764 OE1 GLU A 107 2.699 7.736 0.644 1.00 0.00 O ATOM 1765 OE2 GLU A 107 2.979 9.887 0.136 1.00 0.00 O ATOM 0 H GLU A 107 -0.347 8.060 -3.447 1.00 0.00 H new ATOM 0 HA GLU A 107 2.125 7.839 -1.826 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -0.771 7.915 -1.050 1.00 0.00 H new ATOM 0 HB3 GLU A 107 0.310 6.884 -0.135 1.00 0.00 H new ATOM 0 HG2 GLU A 107 0.601 9.888 -0.590 1.00 0.00 H new ATOM 0 HG3 GLU A 107 0.238 9.087 0.926 1.00 0.00 H new ATOM 1772 N ALA A 108 2.004 5.305 -1.712 1.00 0.00 N ATOM 1773 CA ALA A 108 2.137 3.878 -1.947 1.00 0.00 C ATOM 1774 C ALA A 108 1.658 3.114 -0.711 1.00 0.00 C ATOM 1775 O ALA A 108 2.123 3.367 0.399 1.00 0.00 O ATOM 1776 CB ALA A 108 3.589 3.553 -2.306 1.00 0.00 C ATOM 0 H ALA A 108 2.626 5.679 -0.995 1.00 0.00 H new ATOM 0 HA ALA A 108 1.515 3.568 -2.787 1.00 0.00 H new ATOM 0 HB1 ALA A 108 3.689 2.482 -2.482 1.00 0.00 H new ATOM 0 HB2 ALA A 108 3.872 4.097 -3.207 1.00 0.00 H new ATOM 0 HB3 ALA A 108 4.242 3.848 -1.484 1.00 0.00 H new ATOM 1782 N LEU A 109 0.732 2.195 -0.945 1.00 0.00 N ATOM 1783 CA LEU A 109 0.185 1.393 0.135 1.00 0.00 C ATOM 1784 C LEU A 109 0.971 0.085 0.244 1.00 0.00 C ATOM 1785 O LEU A 109 1.233 -0.571 -0.763 1.00 0.00 O ATOM 1786 CB LEU A 109 -1.320 1.191 -0.056 1.00 0.00 C ATOM 1787 CG LEU A 109 -2.217 2.328 0.437 1.00 0.00 C ATOM 1788 CD1 LEU A 109 -3.500 2.413 -0.392 1.00 0.00 C ATOM 1789 CD2 LEU A 109 -2.509 2.187 1.932 1.00 0.00 C ATOM 0 H LEU A 109 0.347 1.989 -1.867 1.00 0.00 H new ATOM 0 HA LEU A 109 0.296 1.912 1.087 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -1.514 1.036 -1.117 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -1.612 0.275 0.458 1.00 0.00 H new ATOM 0 HG LEU A 109 -1.683 3.268 0.301 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -4.120 3.229 -0.021 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -3.247 2.596 -1.436 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -4.049 1.475 -0.310 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -3.148 3.008 2.257 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -3.014 1.239 2.116 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -1.573 2.214 2.490 1.00 0.00 H new ATOM 1801 N TRP A 110 1.327 -0.254 1.474 1.00 0.00 N ATOM 1802 CA TRP A 110 2.078 -1.472 1.727 1.00 0.00 C ATOM 1803 C TRP A 110 1.288 -2.316 2.729 1.00 0.00 C ATOM 1804 O TRP A 110 0.854 -1.813 3.764 1.00 0.00 O ATOM 1805 CB TRP A 110 3.497 -1.152 2.202 1.00 0.00 C ATOM 1806 CG TRP A 110 4.449 -2.349 2.169 1.00 0.00 C ATOM 1807 CD1 TRP A 110 5.454 -2.580 1.314 1.00 0.00 C ATOM 1808 CD2 TRP A 110 4.445 -3.476 3.070 1.00 0.00 C ATOM 1809 NE1 TRP A 110 6.096 -3.769 1.596 1.00 0.00 N ATOM 1810 CE2 TRP A 110 5.462 -4.331 2.698 1.00 0.00 C ATOM 1811 CE3 TRP A 110 3.609 -3.764 4.163 1.00 0.00 C ATOM 1812 CZ2 TRP A 110 5.739 -5.530 3.366 1.00 0.00 C ATOM 1813 CZ3 TRP A 110 3.898 -4.966 4.820 1.00 0.00 C ATOM 1814 CH2 TRP A 110 4.919 -5.838 4.458 1.00 0.00 C ATOM 0 H TRP A 110 1.109 0.294 2.307 1.00 0.00 H new ATOM 0 HA TRP A 110 2.201 -2.047 0.809 1.00 0.00 H new ATOM 0 HB2 TRP A 110 3.907 -0.357 1.579 1.00 0.00 H new ATOM 0 HB3 TRP A 110 3.450 -0.766 3.220 1.00 0.00 H new ATOM 0 HD1 TRP A 110 5.728 -1.919 0.505 1.00 0.00 H new ATOM 0 HE1 TRP A 110 6.889 -4.162 1.089 1.00 0.00 H new ATOM 0 HE3 TRP A 110 2.807 -3.110 4.471 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 6.542 -6.182 3.056 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 3.285 -5.235 5.667 1.00 0.00 H new ATOM 0 HH2 TRP A 110 5.079 -6.748 5.017 1.00 0.00 H new ATOM 1825 N VAL A 111 1.124 -3.585 2.386 1.00 0.00 N ATOM 1826 CA VAL A 111 0.394 -4.504 3.242 1.00 0.00 C ATOM 1827 C VAL A 111 0.875 -5.932 2.979 1.00 0.00 C ATOM 1828 O VAL A 111 0.874 -6.391 1.838 1.00 0.00 O ATOM 1829 CB VAL A 111 -1.112 -4.332 3.030 1.00 0.00 C ATOM 1830 CG1 VAL A 111 -1.467 -2.864 2.788 1.00 0.00 C ATOM 1831 CG2 VAL A 111 -1.608 -5.213 1.882 1.00 0.00 C ATOM 0 H VAL A 111 1.485 -3.999 1.526 1.00 0.00 H new ATOM 0 HA VAL A 111 0.589 -4.284 4.292 1.00 0.00 H new ATOM 0 HB VAL A 111 -1.618 -4.653 3.941 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -2.543 -2.769 2.640 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -1.165 -2.270 3.651 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -0.946 -2.505 1.900 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -2.681 -5.072 1.752 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -1.092 -4.937 0.962 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -1.405 -6.259 2.112 1.00 0.00 H new ATOM 1841 N ASP A 112 1.275 -6.595 4.054 1.00 0.00 N ATOM 1842 CA ASP A 112 1.759 -7.962 3.954 1.00 0.00 C ATOM 1843 C ASP A 112 0.793 -8.895 4.688 1.00 0.00 C ATOM 1844 O ASP A 112 0.046 -8.458 5.561 1.00 0.00 O ATOM 1845 CB ASP A 112 3.138 -8.107 4.599 1.00 0.00 C ATOM 1846 CG ASP A 112 3.381 -9.437 5.315 1.00 0.00 C ATOM 1847 OD1 ASP A 112 3.275 -10.478 4.631 1.00 0.00 O ATOM 1848 OD2 ASP A 112 3.666 -9.383 6.531 1.00 0.00 O ATOM 0 H ASP A 112 1.274 -6.211 4.999 1.00 0.00 H new ATOM 0 HA ASP A 112 1.827 -8.219 2.897 1.00 0.00 H new ATOM 0 HB2 ASP A 112 3.898 -7.983 3.828 1.00 0.00 H new ATOM 0 HB3 ASP A 112 3.275 -7.296 5.315 1.00 0.00 H new ATOM 1853 N TRP A 113 0.840 -10.162 4.306 1.00 0.00 N ATOM 1854 CA TRP A 113 -0.021 -11.161 4.917 1.00 0.00 C ATOM 1855 C TRP A 113 0.838 -12.380 5.259 1.00 0.00 C ATOM 1856 O TRP A 113 0.855 -12.829 6.404 1.00 0.00 O ATOM 1857 CB TRP A 113 -1.202 -11.498 4.004 1.00 0.00 C ATOM 1858 CG TRP A 113 -2.465 -11.927 4.754 1.00 0.00 C ATOM 1859 CD1 TRP A 113 -3.560 -11.198 5.009 1.00 0.00 C ATOM 1860 CD2 TRP A 113 -2.720 -13.221 5.339 1.00 0.00 C ATOM 1861 NE1 TRP A 113 -4.499 -11.924 5.713 1.00 0.00 N ATOM 1862 CE2 TRP A 113 -3.972 -13.194 5.920 1.00 0.00 C ATOM 1863 CE3 TRP A 113 -1.920 -14.377 5.376 1.00 0.00 C ATOM 1864 CZ2 TRP A 113 -4.534 -14.293 6.580 1.00 0.00 C ATOM 1865 CZ3 TRP A 113 -2.497 -15.466 6.040 1.00 0.00 C ATOM 1866 CH2 TRP A 113 -3.755 -15.455 6.629 1.00 0.00 C ATOM 0 H TRP A 113 1.461 -10.521 3.581 1.00 0.00 H new ATOM 0 HA TRP A 113 -0.464 -10.779 5.837 1.00 0.00 H new ATOM 0 HB2 TRP A 113 -1.434 -10.627 3.391 1.00 0.00 H new ATOM 0 HB3 TRP A 113 -0.906 -12.297 3.324 1.00 0.00 H new ATOM 0 HD1 TRP A 113 -3.691 -10.171 4.702 1.00 0.00 H new ATOM 0 HE1 TRP A 113 -5.411 -11.591 6.024 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -0.938 -14.421 4.928 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 -5.516 -14.247 7.027 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -1.924 -16.379 6.098 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -4.130 -16.339 7.123 1.00 0.00 H new ATOM 1877 N GLU A 114 1.529 -12.880 4.246 1.00 0.00 N ATOM 1878 CA GLU A 114 2.388 -14.039 4.426 1.00 0.00 C ATOM 1879 C GLU A 114 3.450 -13.753 5.489 1.00 0.00 C ATOM 1880 O GLU A 114 4.079 -14.674 6.007 1.00 0.00 O ATOM 1881 CB GLU A 114 3.035 -14.452 3.102 1.00 0.00 C ATOM 1882 CG GLU A 114 1.990 -15.000 2.128 1.00 0.00 C ATOM 1883 CD GLU A 114 2.014 -16.530 2.102 1.00 0.00 C ATOM 1884 OE1 GLU A 114 2.008 -17.117 3.205 1.00 0.00 O ATOM 1885 OE2 GLU A 114 2.037 -17.077 0.978 1.00 0.00 O ATOM 0 H GLU A 114 1.512 -12.504 3.298 1.00 0.00 H new ATOM 0 HA GLU A 114 1.774 -14.872 4.769 1.00 0.00 H new ATOM 0 HB2 GLU A 114 3.538 -13.594 2.656 1.00 0.00 H new ATOM 0 HB3 GLU A 114 3.798 -15.209 3.286 1.00 0.00 H new ATOM 0 HG2 GLU A 114 0.999 -14.653 2.420 1.00 0.00 H new ATOM 0 HG3 GLU A 114 2.182 -14.613 1.127 1.00 0.00 H new ATOM 1892 N ASN A 115 3.617 -12.471 5.783 1.00 0.00 N ATOM 1893 CA ASN A 115 4.591 -12.052 6.776 1.00 0.00 C ATOM 1894 C ASN A 115 3.866 -11.390 7.949 1.00 0.00 C ATOM 1895 O ASN A 115 4.501 -10.938 8.901 1.00 0.00 O ATOM 1896 CB ASN A 115 5.571 -11.034 6.190 1.00 0.00 C ATOM 1897 CG ASN A 115 5.559 -11.079 4.661 1.00 0.00 C ATOM 1898 OD1 ASN A 115 5.563 -12.132 4.045 1.00 0.00 O ATOM 1899 ND2 ASN A 115 5.546 -9.880 4.084 1.00 0.00 N ATOM 0 H ASN A 115 3.094 -11.709 5.351 1.00 0.00 H new ATOM 0 HA ASN A 115 5.140 -12.935 7.103 1.00 0.00 H new ATOM 0 HB2 ASN A 115 5.307 -10.033 6.530 1.00 0.00 H new ATOM 0 HB3 ASN A 115 6.577 -11.240 6.556 1.00 0.00 H new ATOM 0 HD21 ASN A 115 5.539 -9.804 3.067 1.00 0.00 H new ATOM 0 HD22 ASN A 115 5.543 -9.037 4.659 1.00 0.00 H new ATOM 1906 N LYS A 116 2.546 -11.354 7.843 1.00 0.00 N ATOM 1907 CA LYS A 116 1.727 -10.755 8.883 1.00 0.00 C ATOM 1908 C LYS A 116 2.240 -9.344 9.180 1.00 0.00 C ATOM 1909 O LYS A 116 2.484 -8.999 10.335 1.00 0.00 O ATOM 1910 CB LYS A 116 1.676 -11.662 10.114 1.00 0.00 C ATOM 1911 CG LYS A 116 3.025 -11.684 10.835 1.00 0.00 C ATOM 1912 CD LYS A 116 2.861 -12.124 12.291 1.00 0.00 C ATOM 1913 CE LYS A 116 2.111 -11.066 13.103 1.00 0.00 C ATOM 1914 NZ LYS A 116 1.028 -11.691 13.894 1.00 0.00 N ATOM 0 H LYS A 116 2.023 -11.730 7.052 1.00 0.00 H new ATOM 0 HA LYS A 116 0.695 -10.656 8.546 1.00 0.00 H new ATOM 0 HB2 LYS A 116 0.901 -11.312 10.796 1.00 0.00 H new ATOM 0 HB3 LYS A 116 1.404 -12.674 9.814 1.00 0.00 H new ATOM 0 HG2 LYS A 116 3.705 -12.363 10.321 1.00 0.00 H new ATOM 0 HG3 LYS A 116 3.477 -10.693 10.800 1.00 0.00 H new ATOM 0 HD2 LYS A 116 2.319 -13.069 12.330 1.00 0.00 H new ATOM 0 HD3 LYS A 116 3.841 -12.300 12.734 1.00 0.00 H new ATOM 0 HE2 LYS A 116 2.804 -10.551 13.768 1.00 0.00 H new ATOM 0 HE3 LYS A 116 1.693 -10.314 12.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 0.529 -10.959 14.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 0.358 -12.162 13.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 1.434 -12.392 14.546 1.00 0.00 H new ATOM 1928 N LEU A 117 2.388 -8.567 8.117 1.00 0.00 N ATOM 1929 CA LEU A 117 2.867 -7.201 8.249 1.00 0.00 C ATOM 1930 C LEU A 117 1.938 -6.262 7.477 1.00 0.00 C ATOM 1931 O LEU A 117 1.384 -6.641 6.446 1.00 0.00 O ATOM 1932 CB LEU A 117 4.333 -7.104 7.822 1.00 0.00 C ATOM 1933 CG LEU A 117 5.262 -6.356 8.779 1.00 0.00 C ATOM 1934 CD1 LEU A 117 6.713 -6.809 8.601 1.00 0.00 C ATOM 1935 CD2 LEU A 117 5.111 -4.842 8.620 1.00 0.00 C ATOM 0 H LEU A 117 2.185 -8.857 7.160 1.00 0.00 H new ATOM 0 HA LEU A 117 2.841 -6.888 9.293 1.00 0.00 H new ATOM 0 HB2 LEU A 117 4.719 -8.114 7.688 1.00 0.00 H new ATOM 0 HB3 LEU A 117 4.376 -6.615 6.849 1.00 0.00 H new ATOM 0 HG LEU A 117 4.970 -6.603 9.800 1.00 0.00 H new ATOM 0 HD11 LEU A 117 7.353 -6.262 9.293 1.00 0.00 H new ATOM 0 HD12 LEU A 117 6.788 -7.877 8.805 1.00 0.00 H new ATOM 0 HD13 LEU A 117 7.033 -6.611 7.578 1.00 0.00 H new ATOM 0 HD21 LEU A 117 5.783 -4.335 9.312 1.00 0.00 H new ATOM 0 HD22 LEU A 117 5.360 -4.557 7.598 1.00 0.00 H new ATOM 0 HD23 LEU A 117 4.082 -4.554 8.836 1.00 0.00 H new ATOM 1947 N VAL A 118 1.796 -5.056 8.006 1.00 0.00 N ATOM 1948 CA VAL A 118 0.943 -4.060 7.379 1.00 0.00 C ATOM 1949 C VAL A 118 1.500 -2.664 7.667 1.00 0.00 C ATOM 1950 O VAL A 118 2.246 -2.475 8.627 1.00 0.00 O ATOM 1951 CB VAL A 118 -0.501 -4.236 7.851 1.00 0.00 C ATOM 1952 CG1 VAL A 118 -1.435 -3.259 7.134 1.00 0.00 C ATOM 1953 CG2 VAL A 118 -0.968 -5.680 7.661 1.00 0.00 C ATOM 0 H VAL A 118 2.257 -4.746 8.861 1.00 0.00 H new ATOM 0 HA VAL A 118 0.935 -4.190 6.297 1.00 0.00 H new ATOM 0 HB VAL A 118 -0.535 -4.011 8.917 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -2.456 -3.405 7.488 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -1.121 -2.236 7.343 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -1.394 -3.439 6.060 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -1.998 -5.778 8.005 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -0.911 -5.945 6.605 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -0.328 -6.348 8.238 1.00 0.00 H new ATOM 1963 N GLY A 119 1.117 -1.722 6.818 1.00 0.00 N ATOM 1964 CA GLY A 119 1.569 -0.349 6.969 1.00 0.00 C ATOM 1965 C GLY A 119 1.523 0.393 5.632 1.00 0.00 C ATOM 1966 O GLY A 119 2.082 -0.072 4.640 1.00 0.00 O ATOM 0 H GLY A 119 0.499 -1.882 6.023 1.00 0.00 H new ATOM 0 HA2 GLY A 119 0.942 0.166 7.697 1.00 0.00 H new ATOM 0 HA3 GLY A 119 2.586 -0.338 7.360 1.00 0.00 H new ATOM 1970 N ASN A 120 0.852 1.536 5.649 1.00 0.00 N ATOM 1971 CA ASN A 120 0.726 2.347 4.450 1.00 0.00 C ATOM 1972 C ASN A 120 1.757 3.477 4.494 1.00 0.00 C ATOM 1973 O ASN A 120 1.748 4.295 5.413 1.00 0.00 O ATOM 1974 CB ASN A 120 -0.664 2.979 4.357 1.00 0.00 C ATOM 1975 CG ASN A 120 -1.752 1.967 4.721 1.00 0.00 C ATOM 1976 OD1 ASN A 120 -2.837 2.313 5.158 1.00 0.00 O ATOM 1977 ND2 ASN A 120 -1.402 0.700 4.517 1.00 0.00 N ATOM 0 H ASN A 120 0.390 1.919 6.474 1.00 0.00 H new ATOM 0 HA ASN A 120 0.887 1.701 3.587 1.00 0.00 H new ATOM 0 HB2 ASN A 120 -0.722 3.838 5.026 1.00 0.00 H new ATOM 0 HB3 ASN A 120 -0.832 3.351 3.346 1.00 0.00 H new ATOM 0 HD21 ASN A 120 -2.059 -0.051 4.729 1.00 0.00 H new ATOM 0 HD22 ASN A 120 -0.477 0.479 4.148 1.00 0.00 H new ATOM 1984 N GLU A 121 2.621 3.486 3.489 1.00 0.00 N ATOM 1985 CA GLU A 121 3.656 4.502 3.402 1.00 0.00 C ATOM 1986 C GLU A 121 4.854 3.972 2.612 1.00 0.00 C ATOM 1987 O GLU A 121 5.107 2.769 2.595 1.00 0.00 O ATOM 1988 CB GLU A 121 4.081 4.973 4.794 1.00 0.00 C ATOM 1989 CG GLU A 121 3.376 6.278 5.170 1.00 0.00 C ATOM 1990 CD GLU A 121 3.209 6.393 6.687 1.00 0.00 C ATOM 1991 OE1 GLU A 121 4.254 6.433 7.371 1.00 0.00 O ATOM 1992 OE2 GLU A 121 2.040 6.437 7.128 1.00 0.00 O ATOM 0 H GLU A 121 2.625 2.806 2.729 1.00 0.00 H new ATOM 0 HA GLU A 121 3.249 5.363 2.873 1.00 0.00 H new ATOM 0 HB2 GLU A 121 3.846 4.204 5.530 1.00 0.00 H new ATOM 0 HB3 GLU A 121 5.161 5.119 4.819 1.00 0.00 H new ATOM 0 HG2 GLU A 121 3.951 7.126 4.798 1.00 0.00 H new ATOM 0 HG3 GLU A 121 2.399 6.320 4.689 1.00 0.00 H new ATOM 1999 N PRO A 122 5.578 4.921 1.961 1.00 0.00 N ATOM 2000 CA PRO A 122 6.744 4.562 1.171 1.00 0.00 C ATOM 2001 C PRO A 122 7.933 4.223 2.072 1.00 0.00 C ATOM 2002 O PRO A 122 8.764 3.387 1.721 1.00 0.00 O ATOM 2003 CB PRO A 122 7.000 5.765 0.277 1.00 0.00 C ATOM 2004 CG PRO A 122 6.261 6.927 0.921 1.00 0.00 C ATOM 2005 CD PRO A 122 5.308 6.356 1.959 1.00 0.00 C ATOM 0 HA PRO A 122 6.586 3.665 0.573 1.00 0.00 H new ATOM 0 HB2 PRO A 122 8.067 5.975 0.200 1.00 0.00 H new ATOM 0 HB3 PRO A 122 6.637 5.584 -0.735 1.00 0.00 H new ATOM 0 HG2 PRO A 122 6.965 7.616 1.388 1.00 0.00 H new ATOM 0 HG3 PRO A 122 5.712 7.494 0.169 1.00 0.00 H new ATOM 0 HD2 PRO A 122 5.485 6.793 2.942 1.00 0.00 H new ATOM 0 HD3 PRO A 122 4.270 6.563 1.700 1.00 0.00 H new ATOM 2013 N ALA A 123 7.977 4.890 3.216 1.00 0.00 N ATOM 2014 CA ALA A 123 9.051 4.670 4.170 1.00 0.00 C ATOM 2015 C ALA A 123 8.839 3.325 4.868 1.00 0.00 C ATOM 2016 O ALA A 123 9.791 2.720 5.359 1.00 0.00 O ATOM 2017 CB ALA A 123 9.103 5.838 5.158 1.00 0.00 C ATOM 0 H ALA A 123 7.286 5.583 3.504 1.00 0.00 H new ATOM 0 HA ALA A 123 10.014 4.630 3.662 1.00 0.00 H new ATOM 0 HB1 ALA A 123 9.908 5.673 5.874 1.00 0.00 H new ATOM 0 HB2 ALA A 123 9.284 6.766 4.615 1.00 0.00 H new ATOM 0 HB3 ALA A 123 8.154 5.908 5.689 1.00 0.00 H new ATOM 2023 N ASP A 124 7.586 2.897 4.891 1.00 0.00 N ATOM 2024 CA ASP A 124 7.237 1.635 5.521 1.00 0.00 C ATOM 2025 C ASP A 124 8.119 0.523 4.948 1.00 0.00 C ATOM 2026 O ASP A 124 8.728 -0.239 5.698 1.00 0.00 O ATOM 2027 CB ASP A 124 5.777 1.267 5.248 1.00 0.00 C ATOM 2028 CG ASP A 124 4.747 2.091 6.023 1.00 0.00 C ATOM 2029 OD1 ASP A 124 5.179 2.818 6.945 1.00 0.00 O ATOM 2030 OD2 ASP A 124 3.552 1.977 5.677 1.00 0.00 O ATOM 0 H ASP A 124 6.799 3.402 4.483 1.00 0.00 H new ATOM 0 HA ASP A 124 7.387 1.742 6.595 1.00 0.00 H new ATOM 0 HB2 ASP A 124 5.583 1.380 4.181 1.00 0.00 H new ATOM 0 HB3 ASP A 124 5.632 0.214 5.488 1.00 0.00 H new ATOM 2035 N ILE A 125 8.160 0.467 3.625 1.00 0.00 N ATOM 2036 CA ILE A 125 8.957 -0.539 2.944 1.00 0.00 C ATOM 2037 C ILE A 125 10.378 -0.527 3.510 1.00 0.00 C ATOM 2038 O ILE A 125 10.859 -1.542 4.011 1.00 0.00 O ATOM 2039 CB ILE A 125 8.898 -0.333 1.429 1.00 0.00 C ATOM 2040 CG1 ILE A 125 7.740 -1.122 0.813 1.00 0.00 C ATOM 2041 CG2 ILE A 125 10.238 -0.678 0.776 1.00 0.00 C ATOM 2042 CD1 ILE A 125 7.974 -1.365 -0.679 1.00 0.00 C ATOM 0 H ILE A 125 7.655 1.102 3.007 1.00 0.00 H new ATOM 0 HA ILE A 125 8.550 -1.534 3.124 1.00 0.00 H new ATOM 0 HB ILE A 125 8.708 0.723 1.235 1.00 0.00 H new ATOM 0 HG12 ILE A 125 7.631 -2.077 1.328 1.00 0.00 H new ATOM 0 HG13 ILE A 125 6.807 -0.576 0.954 1.00 0.00 H new ATOM 0 HG21 ILE A 125 10.169 -0.523 -0.301 1.00 0.00 H new ATOM 0 HG22 ILE A 125 11.018 -0.036 1.186 1.00 0.00 H new ATOM 0 HG23 ILE A 125 10.483 -1.721 0.977 1.00 0.00 H new ATOM 0 HD11 ILE A 125 7.137 -1.927 -1.092 1.00 0.00 H new ATOM 0 HD12 ILE A 125 8.058 -0.408 -1.195 1.00 0.00 H new ATOM 0 HD13 ILE A 125 8.895 -1.933 -0.815 1.00 0.00 H new ATOM 2054 N ASP A 126 11.011 0.634 3.413 1.00 0.00 N ATOM 2055 CA ASP A 126 12.367 0.791 3.909 1.00 0.00 C ATOM 2056 C ASP A 126 12.477 0.146 5.292 1.00 0.00 C ATOM 2057 O ASP A 126 13.347 -0.693 5.523 1.00 0.00 O ATOM 2058 CB ASP A 126 12.735 2.270 4.047 1.00 0.00 C ATOM 2059 CG ASP A 126 13.873 2.565 5.026 1.00 0.00 C ATOM 2060 OD1 ASP A 126 14.930 1.913 4.880 1.00 0.00 O ATOM 2061 OD2 ASP A 126 13.660 3.435 5.898 1.00 0.00 O ATOM 0 H ASP A 126 10.609 1.474 2.998 1.00 0.00 H new ATOM 0 HA ASP A 126 13.043 0.316 3.199 1.00 0.00 H new ATOM 0 HB2 ASP A 126 13.012 2.653 3.065 1.00 0.00 H new ATOM 0 HB3 ASP A 126 11.850 2.821 4.366 1.00 0.00 H new ATOM 2066 N LYS A 127 11.583 0.563 6.177 1.00 0.00 N ATOM 2067 CA LYS A 127 11.569 0.036 7.531 1.00 0.00 C ATOM 2068 C LYS A 127 11.211 -1.451 7.492 1.00 0.00 C ATOM 2069 O LYS A 127 12.015 -2.297 7.882 1.00 0.00 O ATOM 2070 CB LYS A 127 10.642 0.868 8.420 1.00 0.00 C ATOM 2071 CG LYS A 127 11.401 2.024 9.073 1.00 0.00 C ATOM 2072 CD LYS A 127 11.867 3.037 8.025 1.00 0.00 C ATOM 2073 CE LYS A 127 10.882 4.203 7.913 1.00 0.00 C ATOM 2074 NZ LYS A 127 11.610 5.489 7.834 1.00 0.00 N ATOM 0 H LYS A 127 10.864 1.259 5.983 1.00 0.00 H new ATOM 0 HA LYS A 127 12.559 0.114 7.980 1.00 0.00 H new ATOM 0 HB2 LYS A 127 9.817 1.260 7.825 1.00 0.00 H new ATOM 0 HB3 LYS A 127 10.206 0.233 9.191 1.00 0.00 H new ATOM 0 HG2 LYS A 127 10.759 2.519 9.802 1.00 0.00 H new ATOM 0 HG3 LYS A 127 12.262 1.637 9.617 1.00 0.00 H new ATOM 0 HD2 LYS A 127 12.854 3.414 8.293 1.00 0.00 H new ATOM 0 HD3 LYS A 127 11.965 2.545 7.057 1.00 0.00 H new ATOM 0 HE2 LYS A 127 10.258 4.076 7.028 1.00 0.00 H new ATOM 0 HE3 LYS A 127 10.215 4.208 8.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 10.928 6.270 7.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 12.187 5.615 8.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 12.228 5.487 6.998 1.00 0.00 H new ATOM 2088 N TYR A 128 10.005 -1.725 7.017 1.00 0.00 N ATOM 2089 CA TYR A 128 9.532 -3.095 6.922 1.00 0.00 C ATOM 2090 C TYR A 128 10.481 -3.946 6.075 1.00 0.00 C ATOM 2091 O TYR A 128 11.277 -4.714 6.611 1.00 0.00 O ATOM 2092 CB TYR A 128 8.171 -3.024 6.225 1.00 0.00 C ATOM 2093 CG TYR A 128 7.058 -2.433 7.093 1.00 0.00 C ATOM 2094 CD1 TYR A 128 7.359 -1.889 8.325 1.00 0.00 C ATOM 2095 CD2 TYR A 128 5.753 -2.443 6.643 1.00 0.00 C ATOM 2096 CE1 TYR A 128 6.312 -1.333 9.142 1.00 0.00 C ATOM 2097 CE2 TYR A 128 4.706 -1.887 7.460 1.00 0.00 C ATOM 2098 CZ TYR A 128 5.037 -1.359 8.669 1.00 0.00 C ATOM 2099 OH TYR A 128 4.047 -0.833 9.440 1.00 0.00 O ATOM 0 H TYR A 128 9.341 -1.021 6.694 1.00 0.00 H new ATOM 0 HA TYR A 128 9.473 -3.549 7.911 1.00 0.00 H new ATOM 0 HB2 TYR A 128 8.269 -2.425 5.320 1.00 0.00 H new ATOM 0 HB3 TYR A 128 7.881 -4.027 5.914 1.00 0.00 H new ATOM 0 HD1 TYR A 128 8.380 -1.880 8.676 1.00 0.00 H new ATOM 0 HD2 TYR A 128 5.517 -2.868 5.678 1.00 0.00 H new ATOM 0 HE1 TYR A 128 6.534 -0.905 10.108 1.00 0.00 H new ATOM 0 HE2 TYR A 128 3.681 -1.889 7.120 1.00 0.00 H new ATOM 0 HH TYR A 128 3.215 -1.329 9.287 1.00 0.00 H new ATOM 2109 N ILE A 129 10.364 -3.779 4.766 1.00 0.00 N ATOM 2110 CA ILE A 129 11.202 -4.522 3.839 1.00 0.00 C ATOM 2111 C ILE A 129 11.536 -3.636 2.637 1.00 0.00 C ATOM 2112 O ILE A 129 10.880 -3.718 1.600 1.00 0.00 O ATOM 2113 CB ILE A 129 10.538 -5.847 3.461 1.00 0.00 C ATOM 2114 CG1 ILE A 129 9.059 -5.851 3.853 1.00 0.00 C ATOM 2115 CG2 ILE A 129 11.294 -7.032 4.066 1.00 0.00 C ATOM 2116 CD1 ILE A 129 8.326 -4.655 3.240 1.00 0.00 C ATOM 0 H ILE A 129 9.702 -3.140 4.325 1.00 0.00 H new ATOM 0 HA ILE A 129 12.148 -4.789 4.311 1.00 0.00 H new ATOM 0 HB ILE A 129 10.584 -5.955 2.377 1.00 0.00 H new ATOM 0 HG12 ILE A 129 8.593 -6.778 3.519 1.00 0.00 H new ATOM 0 HG13 ILE A 129 8.967 -5.821 4.939 1.00 0.00 H new ATOM 0 HG21 ILE A 129 10.801 -7.962 3.782 1.00 0.00 H new ATOM 0 HG22 ILE A 129 12.319 -7.037 3.696 1.00 0.00 H new ATOM 0 HG23 ILE A 129 11.301 -6.943 5.152 1.00 0.00 H new ATOM 0 HD11 ILE A 129 7.277 -4.682 3.534 1.00 0.00 H new ATOM 0 HD12 ILE A 129 8.779 -3.729 3.595 1.00 0.00 H new ATOM 0 HD13 ILE A 129 8.400 -4.701 2.153 1.00 0.00 H new ATOM 2128 N ILE A 130 12.554 -2.808 2.818 1.00 0.00 N ATOM 2129 CA ILE A 130 12.983 -1.908 1.761 1.00 0.00 C ATOM 2130 C ILE A 130 12.703 -2.553 0.402 1.00 0.00 C ATOM 2131 O ILE A 130 12.422 -3.748 0.324 1.00 0.00 O ATOM 2132 CB ILE A 130 14.445 -1.505 1.960 1.00 0.00 C ATOM 2133 CG1 ILE A 130 15.227 -1.609 0.649 1.00 0.00 C ATOM 2134 CG2 ILE A 130 15.092 -2.324 3.079 1.00 0.00 C ATOM 2135 CD1 ILE A 130 16.046 -2.900 0.600 1.00 0.00 C ATOM 0 H ILE A 130 13.094 -2.741 3.681 1.00 0.00 H new ATOM 0 HA ILE A 130 12.413 -0.980 1.798 1.00 0.00 H new ATOM 0 HB ILE A 130 14.471 -0.460 2.268 1.00 0.00 H new ATOM 0 HG12 ILE A 130 14.536 -1.580 -0.194 1.00 0.00 H new ATOM 0 HG13 ILE A 130 15.890 -0.750 0.548 1.00 0.00 H new ATOM 0 HG21 ILE A 130 16.131 -2.018 3.200 1.00 0.00 H new ATOM 0 HG22 ILE A 130 14.553 -2.156 4.011 1.00 0.00 H new ATOM 0 HG23 ILE A 130 15.053 -3.383 2.824 1.00 0.00 H new ATOM 0 HD11 ILE A 130 16.592 -2.949 -0.342 1.00 0.00 H new ATOM 0 HD12 ILE A 130 16.752 -2.915 1.430 1.00 0.00 H new ATOM 0 HD13 ILE A 130 15.378 -3.758 0.677 1.00 0.00 H new ATOM 2147 N GLN A 131 12.789 -1.733 -0.636 1.00 0.00 N ATOM 2148 CA GLN A 131 12.549 -2.209 -1.987 1.00 0.00 C ATOM 2149 C GLN A 131 13.370 -3.471 -2.260 1.00 0.00 C ATOM 2150 O GLN A 131 13.379 -3.980 -3.379 1.00 0.00 O ATOM 2151 CB GLN A 131 12.859 -1.120 -3.015 1.00 0.00 C ATOM 2152 CG GLN A 131 13.946 -0.174 -2.501 1.00 0.00 C ATOM 2153 CD GLN A 131 13.331 1.038 -1.798 1.00 0.00 C ATOM 2154 OE1 GLN A 131 12.238 0.986 -1.259 1.00 0.00 O ATOM 2155 NE2 GLN A 131 14.092 2.128 -1.835 1.00 0.00 N ATOM 0 H GLN A 131 13.022 -0.742 -0.568 1.00 0.00 H new ATOM 0 HA GLN A 131 11.492 -2.460 -2.080 1.00 0.00 H new ATOM 0 HB2 GLN A 131 13.183 -1.579 -3.949 1.00 0.00 H new ATOM 0 HB3 GLN A 131 11.954 -0.554 -3.235 1.00 0.00 H new ATOM 0 HG2 GLN A 131 14.600 -0.707 -1.810 1.00 0.00 H new ATOM 0 HG3 GLN A 131 14.566 0.160 -3.333 1.00 0.00 H new ATOM 0 HE21 GLN A 131 14.998 2.102 -2.304 1.00 0.00 H new ATOM 0 HE22 GLN A 131 13.770 2.990 -1.395 1.00 0.00 H new ATOM 2164 N ARG A 132 14.042 -3.938 -1.218 1.00 0.00 N ATOM 2165 CA ARG A 132 14.865 -5.130 -1.331 1.00 0.00 C ATOM 2166 C ARG A 132 15.419 -5.524 0.039 1.00 0.00 C ATOM 2167 O ARG A 132 16.597 -5.309 0.322 1.00 0.00 O ATOM 2168 CB ARG A 132 16.028 -4.906 -2.299 1.00 0.00 C ATOM 2169 CG ARG A 132 17.080 -6.008 -2.156 1.00 0.00 C ATOM 2170 CD ARG A 132 18.329 -5.485 -1.444 1.00 0.00 C ATOM 2171 NE ARG A 132 18.817 -6.490 -0.473 1.00 0.00 N ATOM 2172 CZ ARG A 132 19.935 -6.353 0.252 1.00 0.00 C ATOM 2173 NH1 ARG A 132 20.688 -5.253 0.121 1.00 0.00 N ATOM 2174 NH2 ARG A 132 20.300 -7.317 1.109 1.00 0.00 N ATOM 0 H ARG A 132 14.033 -3.512 -0.291 1.00 0.00 H new ATOM 0 HA ARG A 132 14.236 -5.932 -1.716 1.00 0.00 H new ATOM 0 HB2 ARG A 132 15.655 -4.885 -3.323 1.00 0.00 H new ATOM 0 HB3 ARG A 132 16.485 -3.935 -2.106 1.00 0.00 H new ATOM 0 HG2 ARG A 132 16.662 -6.845 -1.596 1.00 0.00 H new ATOM 0 HG3 ARG A 132 17.351 -6.387 -3.141 1.00 0.00 H new ATOM 0 HD2 ARG A 132 19.108 -5.264 -2.174 1.00 0.00 H new ATOM 0 HD3 ARG A 132 18.100 -4.552 -0.930 1.00 0.00 H new ATOM 0 HE ARG A 132 18.267 -7.340 -0.348 1.00 0.00 H new ATOM 0 HH11 ARG A 132 20.410 -4.519 -0.531 1.00 0.00 H new ATOM 0 HH12 ARG A 132 21.539 -5.149 0.673 1.00 0.00 H new ATOM 0 HH21 ARG A 132 19.726 -8.155 1.209 1.00 0.00 H new ATOM 0 HH22 ARG A 132 21.151 -7.213 1.661 1.00 0.00 H new ATOM 2188 N LYS A 133 14.544 -6.095 0.855 1.00 0.00 N ATOM 2189 CA LYS A 133 14.932 -6.521 2.189 1.00 0.00 C ATOM 2190 C LYS A 133 16.443 -6.754 2.226 1.00 0.00 C ATOM 2191 O LYS A 133 16.897 -7.872 2.466 1.00 0.00 O ATOM 2192 CB LYS A 133 14.111 -7.737 2.622 1.00 0.00 C ATOM 2193 CG LYS A 133 14.500 -8.187 4.032 1.00 0.00 C ATOM 2194 CD LYS A 133 13.668 -9.394 4.471 1.00 0.00 C ATOM 2195 CE LYS A 133 14.547 -10.449 5.145 1.00 0.00 C ATOM 2196 NZ LYS A 133 14.573 -10.243 6.610 1.00 0.00 N ATOM 0 H LYS A 133 13.568 -6.272 0.618 1.00 0.00 H new ATOM 0 HA LYS A 133 14.712 -5.741 2.918 1.00 0.00 H new ATOM 0 HB2 LYS A 133 13.049 -7.492 2.595 1.00 0.00 H new ATOM 0 HB3 LYS A 133 14.268 -8.555 1.919 1.00 0.00 H new ATOM 0 HG2 LYS A 133 15.559 -8.443 4.057 1.00 0.00 H new ATOM 0 HG3 LYS A 133 14.354 -7.365 4.733 1.00 0.00 H new ATOM 0 HD2 LYS A 133 12.888 -9.071 5.160 1.00 0.00 H new ATOM 0 HD3 LYS A 133 13.169 -9.830 3.606 1.00 0.00 H new ATOM 0 HE2 LYS A 133 14.168 -11.445 4.919 1.00 0.00 H new ATOM 0 HE3 LYS A 133 15.560 -10.395 4.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 133 15.174 -10.968 7.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 133 14.956 -9.299 6.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 133 13.607 -10.317 6.988 1.00 0.00 H new TER 2210 LYS A 133