USER MOD reduce.3.24.130724 H: found=0, std=0, add=1112, rem=0, adj=29 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 -55:sc= 0.715 USER MOD Set 1.2: A 97 CYS SG : rot 83:sc= -0.509! USER MOD Set 2.1: A 84 LYS NZ :NH3+ -130:sc= 0.206 (180deg=0) USER MOD Set 2.2: A 85 HIS : no HD1:sc= 0.18 K(o=0.39,f=-0.16) USER MOD Set 3.1: A 28 GLN : amide:sc= -5.76! C(o=-6.5!,f=-11!) USER MOD Set 3.2: A 32 GLN : amide:sc= -0.787 X(o=-6.5,f=-7) USER MOD Set 4.1: A 24 ASN : amide:sc= -0.913! C(o=-1.8!,f=-18!) USER MOD Set 4.2: A 26 LYS NZ :NH3+ -126:sc= -0.871 (180deg=-1.09!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 50:sc= 1.2 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot -150:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 GLN : amide:sc=-0.00487 X(o=-0.0049,f=-0.062) USER MOD Single : A 13 THR OG1 : rot 104:sc= 0.936 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 129:sc= -1.45! USER MOD Single : A 19 ASN : amide:sc= -10.6! C(o=-11!,f=-14!) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 173:sc= -4.33! USER MOD Single : A 29 LYS NZ :NH3+ -176:sc= -10.5! (180deg=-11!) USER MOD Single : A 30 CYS SG : rot -70:sc= -3.92! USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 HIS : no HD1:sc= -3.62! C(o=-3.6!,f=-5!) USER MOD Single : A 48 ASN : amide:sc= -7.63! C(o=-7.6!,f=-5.4!) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.0238 USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 57 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 MET CE :methyl -137:sc= -2.22 (180deg=-6.53!) USER MOD Single : A 61 THR OG1 : rot -92:sc= 1.09 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 CYS SG : rot 180:sc= -0.321 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 SER OG : rot 54:sc= 1.11 USER MOD Single : A 71 GLN : amide:sc= -1.79 K(o=-1.8,f=-1) USER MOD Single : A 73 GLN : amide:sc= -11.7! C(o=-12!,f=-11!) USER MOD Single : A 76 LYS NZ :NH3+ -177:sc= 0.19 (180deg=0.188) USER MOD Single : A 79 SER OG : rot 180:sc= -0.223 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 86 THR OG1 : rot -102:sc= -7.92! USER MOD Single : A 92 MET CE :methyl -124:sc= -15! (180deg=-23.2!) USER MOD Single : A 95 GLN : amide:sc= -7.27! C(o=-7.3!,f=-11!) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 GLN : amide:sc= -2.99! C(o=-3!,f=-13!) USER MOD Single : A 104 ASN : amide:sc= -1! C(o=-1!,f=-5.5!) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 ASN : amide:sc= -7.51! C(o=-7.5!,f=-5.3!) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 ASN : amide:sc= -1.21 K(o=-1.2,f=-8!) USER MOD Single : A 127 LYS NZ :NH3+ -163:sc= 0.446 (180deg=0.327) USER MOD Single : A 128 TYR OH : rot -148:sc= -7.93! USER MOD Single : A 131 GLN : amide:sc= -15.8! C(o=-16!,f=-11!) USER MOD Single : A 133 LYS NZ :NH3+ -153:sc= -2.75 (180deg=-3.51) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 23.928 -11.035 15.143 1.00 0.00 N ATOM 2 CA MET A 1 22.696 -10.328 14.837 1.00 0.00 C ATOM 3 C MET A 1 22.778 -9.649 13.469 1.00 0.00 C ATOM 4 O MET A 1 23.604 -8.762 13.261 1.00 0.00 O ATOM 5 CB MET A 1 22.431 -9.275 15.915 1.00 0.00 C ATOM 6 CG MET A 1 21.377 -9.763 16.911 1.00 0.00 C ATOM 7 SD MET A 1 21.544 -8.884 18.456 1.00 0.00 S ATOM 8 CE MET A 1 20.223 -9.641 19.388 1.00 0.00 C ATOM 0 H1 MET A 1 23.846 -11.487 16.076 1.00 0.00 H new ATOM 0 H2 MET A 1 24.100 -11.763 14.420 1.00 0.00 H new ATOM 0 H3 MET A 1 24.721 -10.362 15.152 1.00 0.00 H new ATOM 0 HA MET A 1 21.881 -11.051 14.814 1.00 0.00 H new ATOM 0 HB2 MET A 1 23.358 -9.048 16.442 1.00 0.00 H new ATOM 0 HB3 MET A 1 22.095 -8.349 15.449 1.00 0.00 H new ATOM 0 HG2 MET A 1 20.379 -9.609 16.501 1.00 0.00 H new ATOM 0 HG3 MET A 1 21.491 -10.834 17.078 1.00 0.00 H new ATOM 0 HE1 MET A 1 20.186 -9.205 20.386 1.00 0.00 H new ATOM 0 HE2 MET A 1 19.274 -9.468 18.880 1.00 0.00 H new ATOM 0 HE3 MET A 1 20.402 -10.713 19.467 1.00 0.00 H new ATOM 18 N SER A 2 21.910 -10.092 12.571 1.00 0.00 N ATOM 19 CA SER A 2 21.874 -9.538 11.228 1.00 0.00 C ATOM 20 C SER A 2 20.424 -9.359 10.775 1.00 0.00 C ATOM 21 O SER A 2 19.827 -10.277 10.214 1.00 0.00 O ATOM 22 CB SER A 2 22.632 -10.431 10.244 1.00 0.00 C ATOM 23 OG SER A 2 21.968 -11.674 10.031 1.00 0.00 O ATOM 0 H SER A 2 21.226 -10.828 12.747 1.00 0.00 H new ATOM 0 HA SER A 2 22.365 -8.565 11.245 1.00 0.00 H new ATOM 0 HB2 SER A 2 22.742 -9.911 9.292 1.00 0.00 H new ATOM 0 HB3 SER A 2 23.637 -10.617 10.623 1.00 0.00 H new ATOM 0 HG SER A 2 21.023 -11.510 9.830 1.00 0.00 H new ATOM 29 N PHE A 3 19.898 -8.171 11.034 1.00 0.00 N ATOM 30 CA PHE A 3 18.529 -7.860 10.659 1.00 0.00 C ATOM 31 C PHE A 3 18.356 -6.360 10.411 1.00 0.00 C ATOM 32 O PHE A 3 17.545 -5.708 11.068 1.00 0.00 O ATOM 33 CB PHE A 3 17.639 -8.277 11.832 1.00 0.00 C ATOM 34 CG PHE A 3 18.031 -9.613 12.466 1.00 0.00 C ATOM 35 CD1 PHE A 3 17.799 -10.776 11.801 1.00 0.00 C ATOM 36 CD2 PHE A 3 18.611 -9.637 13.696 1.00 0.00 C ATOM 37 CE1 PHE A 3 18.163 -12.016 12.390 1.00 0.00 C ATOM 38 CE2 PHE A 3 18.975 -10.877 14.285 1.00 0.00 C ATOM 39 CZ PHE A 3 18.743 -12.040 13.619 1.00 0.00 C ATOM 0 H PHE A 3 20.395 -7.412 11.499 1.00 0.00 H new ATOM 0 HA PHE A 3 18.266 -8.385 9.741 1.00 0.00 H new ATOM 0 HB2 PHE A 3 17.674 -7.500 12.596 1.00 0.00 H new ATOM 0 HB3 PHE A 3 16.607 -8.339 11.487 1.00 0.00 H new ATOM 0 HD1 PHE A 3 17.338 -10.757 10.825 1.00 0.00 H new ATOM 0 HD2 PHE A 3 18.795 -8.713 14.225 1.00 0.00 H new ATOM 0 HE1 PHE A 3 17.979 -12.940 11.861 1.00 0.00 H new ATOM 0 HE2 PHE A 3 19.436 -10.896 15.262 1.00 0.00 H new ATOM 0 HZ PHE A 3 19.020 -12.983 14.067 1.00 0.00 H new ATOM 49 N TRP A 4 19.131 -5.856 9.462 1.00 0.00 N ATOM 50 CA TRP A 4 19.073 -4.446 9.119 1.00 0.00 C ATOM 51 C TRP A 4 17.901 -4.240 8.157 1.00 0.00 C ATOM 52 O TRP A 4 17.167 -3.259 8.268 1.00 0.00 O ATOM 53 CB TRP A 4 20.408 -3.966 8.545 1.00 0.00 C ATOM 54 CG TRP A 4 21.100 -2.895 9.390 1.00 0.00 C ATOM 55 CD1 TRP A 4 20.646 -1.675 9.709 1.00 0.00 C ATOM 56 CD2 TRP A 4 22.396 -2.998 10.015 1.00 0.00 C ATOM 57 NE1 TRP A 4 21.551 -0.987 10.491 1.00 0.00 N ATOM 58 CE2 TRP A 4 22.649 -1.817 10.683 1.00 0.00 C ATOM 59 CE3 TRP A 4 23.324 -4.054 10.017 1.00 0.00 C ATOM 60 CZ2 TRP A 4 23.827 -1.580 11.401 1.00 0.00 C ATOM 61 CZ3 TRP A 4 24.497 -3.801 10.739 1.00 0.00 C ATOM 62 CH2 TRP A 4 24.767 -2.618 11.416 1.00 0.00 C ATOM 0 H TRP A 4 19.803 -6.399 8.920 1.00 0.00 H new ATOM 0 HA TRP A 4 18.903 -3.840 10.009 1.00 0.00 H new ATOM 0 HB2 TRP A 4 21.076 -4.821 8.443 1.00 0.00 H new ATOM 0 HB3 TRP A 4 20.240 -3.571 7.543 1.00 0.00 H new ATOM 0 HD1 TRP A 4 19.692 -1.280 9.394 1.00 0.00 H new ATOM 0 HE1 TRP A 4 21.435 -0.043 10.860 1.00 0.00 H new ATOM 0 HE3 TRP A 4 23.146 -4.987 9.502 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 24.002 -0.647 11.916 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 25.244 -4.580 10.772 1.00 0.00 H new ATOM 0 HH2 TRP A 4 25.697 -2.500 11.951 1.00 0.00 H new ATOM 73 N LYS A 5 17.761 -5.182 7.235 1.00 0.00 N ATOM 74 CA LYS A 5 16.690 -5.116 6.256 1.00 0.00 C ATOM 75 C LYS A 5 15.378 -5.552 6.910 1.00 0.00 C ATOM 76 O LYS A 5 14.331 -4.951 6.673 1.00 0.00 O ATOM 77 CB LYS A 5 17.054 -5.926 5.009 1.00 0.00 C ATOM 78 CG LYS A 5 17.011 -5.051 3.755 1.00 0.00 C ATOM 79 CD LYS A 5 18.349 -4.342 3.535 1.00 0.00 C ATOM 80 CE LYS A 5 18.754 -3.538 4.772 1.00 0.00 C ATOM 81 NZ LYS A 5 19.926 -2.684 4.475 1.00 0.00 N ATOM 0 H LYS A 5 18.371 -5.994 7.146 1.00 0.00 H new ATOM 0 HA LYS A 5 16.550 -4.091 5.914 1.00 0.00 H new ATOM 0 HB2 LYS A 5 18.051 -6.352 5.126 1.00 0.00 H new ATOM 0 HB3 LYS A 5 16.362 -6.761 4.898 1.00 0.00 H new ATOM 0 HG2 LYS A 5 16.774 -5.665 2.886 1.00 0.00 H new ATOM 0 HG3 LYS A 5 16.215 -4.312 3.850 1.00 0.00 H new ATOM 0 HD2 LYS A 5 19.121 -5.077 3.306 1.00 0.00 H new ATOM 0 HD3 LYS A 5 18.275 -3.678 2.674 1.00 0.00 H new ATOM 0 HE2 LYS A 5 17.919 -2.919 5.100 1.00 0.00 H new ATOM 0 HE3 LYS A 5 18.989 -4.216 5.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 20.187 -2.145 5.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 20.726 -3.281 4.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 19.689 -2.024 3.707 1.00 0.00 H new ATOM 95 N THR A 6 15.477 -6.595 7.722 1.00 0.00 N ATOM 96 CA THR A 6 14.311 -7.118 8.413 1.00 0.00 C ATOM 97 C THR A 6 14.254 -6.583 9.845 1.00 0.00 C ATOM 98 O THR A 6 15.286 -6.260 10.433 1.00 0.00 O ATOM 99 CB THR A 6 14.362 -8.646 8.337 1.00 0.00 C ATOM 100 OG1 THR A 6 13.055 -9.057 8.728 1.00 0.00 O ATOM 101 CG2 THR A 6 15.278 -9.254 9.401 1.00 0.00 C ATOM 0 H THR A 6 16.347 -7.091 7.916 1.00 0.00 H new ATOM 0 HA THR A 6 13.388 -6.785 7.938 1.00 0.00 H new ATOM 0 HB THR A 6 14.704 -8.949 7.347 1.00 0.00 H new ATOM 0 HG1 THR A 6 13.104 -9.935 9.161 1.00 0.00 H new ATOM 0 HG21 THR A 6 15.279 -10.340 9.303 1.00 0.00 H new ATOM 0 HG22 THR A 6 16.292 -8.877 9.267 1.00 0.00 H new ATOM 0 HG23 THR A 6 14.917 -8.979 10.392 1.00 0.00 H new ATOM 109 N LEU A 7 13.039 -6.505 10.367 1.00 0.00 N ATOM 110 CA LEU A 7 12.834 -6.014 11.719 1.00 0.00 C ATOM 111 C LEU A 7 12.293 -7.148 12.592 1.00 0.00 C ATOM 112 O LEU A 7 12.330 -7.064 13.818 1.00 0.00 O ATOM 113 CB LEU A 7 11.946 -4.768 11.708 1.00 0.00 C ATOM 114 CG LEU A 7 10.443 -5.017 11.568 1.00 0.00 C ATOM 115 CD1 LEU A 7 10.134 -5.797 10.288 1.00 0.00 C ATOM 116 CD2 LEU A 7 9.883 -5.711 12.811 1.00 0.00 C ATOM 0 H LEU A 7 12.186 -6.774 9.877 1.00 0.00 H new ATOM 0 HA LEU A 7 13.781 -5.698 12.157 1.00 0.00 H new ATOM 0 HB2 LEU A 7 12.118 -4.215 12.632 1.00 0.00 H new ATOM 0 HB3 LEU A 7 12.266 -4.125 10.888 1.00 0.00 H new ATOM 0 HG LEU A 7 9.943 -4.052 11.486 1.00 0.00 H new ATOM 0 HD11 LEU A 7 9.059 -5.961 10.212 1.00 0.00 H new ATOM 0 HD12 LEU A 7 10.476 -5.228 9.424 1.00 0.00 H new ATOM 0 HD13 LEU A 7 10.647 -6.759 10.315 1.00 0.00 H new ATOM 0 HD21 LEU A 7 8.813 -5.876 12.685 1.00 0.00 H new ATOM 0 HD22 LEU A 7 10.384 -6.669 12.950 1.00 0.00 H new ATOM 0 HD23 LEU A 7 10.053 -5.083 13.686 1.00 0.00 H new ATOM 128 N GLN A 8 11.801 -8.182 11.925 1.00 0.00 N ATOM 129 CA GLN A 8 11.252 -9.331 12.625 1.00 0.00 C ATOM 130 C GLN A 8 10.767 -10.381 11.623 1.00 0.00 C ATOM 131 O GLN A 8 9.610 -10.358 11.206 1.00 0.00 O ATOM 132 CB GLN A 8 10.124 -8.911 13.569 1.00 0.00 C ATOM 133 CG GLN A 8 9.796 -10.027 14.562 1.00 0.00 C ATOM 134 CD GLN A 8 8.286 -10.136 14.786 1.00 0.00 C ATOM 135 OE1 GLN A 8 7.729 -9.581 15.718 1.00 0.00 O ATOM 136 NE2 GLN A 8 7.658 -10.882 13.881 1.00 0.00 N ATOM 0 H GLN A 8 11.771 -8.248 10.908 1.00 0.00 H new ATOM 0 HA GLN A 8 12.042 -9.774 13.232 1.00 0.00 H new ATOM 0 HB2 GLN A 8 10.415 -8.011 14.111 1.00 0.00 H new ATOM 0 HB3 GLN A 8 9.235 -8.661 12.990 1.00 0.00 H new ATOM 0 HG2 GLN A 8 10.181 -10.976 14.188 1.00 0.00 H new ATOM 0 HG3 GLN A 8 10.295 -9.832 15.511 1.00 0.00 H new ATOM 0 HE21 GLN A 8 8.186 -11.319 13.125 1.00 0.00 H new ATOM 0 HE22 GLN A 8 6.649 -11.017 13.943 1.00 0.00 H new ATOM 145 N ARG A 9 11.676 -11.276 11.266 1.00 0.00 N ATOM 146 CA ARG A 9 11.355 -12.332 10.321 1.00 0.00 C ATOM 147 C ARG A 9 11.061 -11.739 8.942 1.00 0.00 C ATOM 148 O ARG A 9 10.298 -10.782 8.823 1.00 0.00 O ATOM 149 CB ARG A 9 10.143 -13.141 10.789 1.00 0.00 C ATOM 150 CG ARG A 9 10.418 -14.643 10.698 1.00 0.00 C ATOM 151 CD ARG A 9 10.086 -15.343 12.017 1.00 0.00 C ATOM 152 NE ARG A 9 10.278 -16.804 11.878 1.00 0.00 N ATOM 153 CZ ARG A 9 9.806 -17.709 12.746 1.00 0.00 C ATOM 154 NH1 ARG A 9 9.112 -17.310 13.820 1.00 0.00 N ATOM 155 NH2 ARG A 9 10.029 -19.014 12.539 1.00 0.00 N ATOM 0 H ARG A 9 12.635 -11.292 11.614 1.00 0.00 H new ATOM 0 HA ARG A 9 12.218 -12.995 10.259 1.00 0.00 H new ATOM 0 HB2 ARG A 9 9.898 -12.874 11.817 1.00 0.00 H new ATOM 0 HB3 ARG A 9 9.276 -12.889 10.179 1.00 0.00 H new ATOM 0 HG2 ARG A 9 9.825 -15.077 9.893 1.00 0.00 H new ATOM 0 HG3 ARG A 9 11.466 -14.810 10.447 1.00 0.00 H new ATOM 0 HD2 ARG A 9 10.724 -14.958 12.813 1.00 0.00 H new ATOM 0 HD3 ARG A 9 9.056 -15.129 12.302 1.00 0.00 H new ATOM 0 HE ARG A 9 10.802 -17.143 11.071 1.00 0.00 H new ATOM 0 HH11 ARG A 9 8.943 -16.317 13.977 1.00 0.00 H new ATOM 0 HH12 ARG A 9 8.753 -18.000 14.480 1.00 0.00 H new ATOM 0 HH21 ARG A 9 10.558 -19.318 11.721 1.00 0.00 H new ATOM 0 HH22 ARG A 9 9.670 -19.704 13.199 1.00 0.00 H new ATOM 169 N GLN A 10 11.684 -12.332 7.933 1.00 0.00 N ATOM 170 CA GLN A 10 11.499 -11.874 6.567 1.00 0.00 C ATOM 171 C GLN A 10 10.314 -12.595 5.921 1.00 0.00 C ATOM 172 O GLN A 10 10.242 -13.822 5.944 1.00 0.00 O ATOM 173 CB GLN A 10 12.774 -12.071 5.745 1.00 0.00 C ATOM 174 CG GLN A 10 13.035 -13.556 5.485 1.00 0.00 C ATOM 175 CD GLN A 10 14.535 -13.855 5.468 1.00 0.00 C ATOM 176 OE1 GLN A 10 15.242 -13.671 6.446 1.00 0.00 O ATOM 177 NE2 GLN A 10 14.981 -14.324 4.306 1.00 0.00 N ATOM 0 H GLN A 10 12.317 -13.125 8.035 1.00 0.00 H new ATOM 0 HA GLN A 10 11.282 -10.806 6.589 1.00 0.00 H new ATOM 0 HB2 GLN A 10 12.684 -11.542 4.796 1.00 0.00 H new ATOM 0 HB3 GLN A 10 13.622 -11.636 6.273 1.00 0.00 H new ATOM 0 HG2 GLN A 10 12.550 -14.154 6.256 1.00 0.00 H new ATOM 0 HG3 GLN A 10 12.592 -13.845 4.532 1.00 0.00 H new ATOM 0 HE21 GLN A 10 14.335 -14.454 3.527 1.00 0.00 H new ATOM 0 HE22 GLN A 10 15.969 -14.553 4.194 1.00 0.00 H new ATOM 186 N PRO A 11 9.389 -11.780 5.346 1.00 0.00 N ATOM 187 CA PRO A 11 8.211 -12.327 4.695 1.00 0.00 C ATOM 188 C PRO A 11 8.567 -12.937 3.338 1.00 0.00 C ATOM 189 O PRO A 11 9.721 -13.288 3.096 1.00 0.00 O ATOM 190 CB PRO A 11 7.244 -11.159 4.586 1.00 0.00 C ATOM 191 CG PRO A 11 8.086 -9.904 4.753 1.00 0.00 C ATOM 192 CD PRO A 11 9.441 -10.321 5.300 1.00 0.00 C ATOM 0 HA PRO A 11 7.763 -13.147 5.256 1.00 0.00 H new ATOM 0 HB2 PRO A 11 6.735 -11.162 3.622 1.00 0.00 H new ATOM 0 HB3 PRO A 11 6.473 -11.217 5.354 1.00 0.00 H new ATOM 0 HG2 PRO A 11 8.201 -9.392 3.798 1.00 0.00 H new ATOM 0 HG3 PRO A 11 7.599 -9.205 5.433 1.00 0.00 H new ATOM 0 HD2 PRO A 11 10.251 -9.974 4.659 1.00 0.00 H new ATOM 0 HD3 PRO A 11 9.615 -9.899 6.290 1.00 0.00 H new ATOM 200 N ARG A 12 7.556 -13.044 2.490 1.00 0.00 N ATOM 201 CA ARG A 12 7.748 -13.606 1.163 1.00 0.00 C ATOM 202 C ARG A 12 6.891 -12.858 0.140 1.00 0.00 C ATOM 203 O ARG A 12 7.358 -12.541 -0.953 1.00 0.00 O ATOM 204 CB ARG A 12 7.381 -15.092 1.136 1.00 0.00 C ATOM 205 CG ARG A 12 8.491 -15.918 0.483 1.00 0.00 C ATOM 206 CD ARG A 12 8.246 -17.416 0.679 1.00 0.00 C ATOM 207 NE ARG A 12 7.800 -18.026 -0.593 1.00 0.00 N ATOM 208 CZ ARG A 12 8.623 -18.358 -1.597 1.00 0.00 C ATOM 209 NH1 ARG A 12 9.940 -18.140 -1.483 1.00 0.00 N ATOM 210 NH2 ARG A 12 8.129 -18.907 -2.715 1.00 0.00 N ATOM 0 H ARG A 12 6.601 -12.751 2.695 1.00 0.00 H new ATOM 0 HA ARG A 12 8.802 -13.498 0.907 1.00 0.00 H new ATOM 0 HB2 ARG A 12 7.209 -15.446 2.152 1.00 0.00 H new ATOM 0 HB3 ARG A 12 6.449 -15.230 0.588 1.00 0.00 H new ATOM 0 HG2 ARG A 12 8.541 -15.690 -0.582 1.00 0.00 H new ATOM 0 HG3 ARG A 12 9.454 -15.644 0.913 1.00 0.00 H new ATOM 0 HD2 ARG A 12 9.160 -17.900 1.024 1.00 0.00 H new ATOM 0 HD3 ARG A 12 7.492 -17.572 1.451 1.00 0.00 H new ATOM 0 HE ARG A 12 6.803 -18.205 -0.713 1.00 0.00 H new ATOM 0 HH11 ARG A 12 10.316 -17.721 -0.632 1.00 0.00 H new ATOM 0 HH12 ARG A 12 10.567 -18.393 -2.247 1.00 0.00 H new ATOM 0 HH21 ARG A 12 7.126 -19.072 -2.802 1.00 0.00 H new ATOM 0 HH22 ARG A 12 8.756 -19.160 -3.479 1.00 0.00 H new ATOM 224 N THR A 13 5.653 -12.596 0.532 1.00 0.00 N ATOM 225 CA THR A 13 4.726 -11.890 -0.338 1.00 0.00 C ATOM 226 C THR A 13 4.580 -10.434 0.109 1.00 0.00 C ATOM 227 O THR A 13 4.072 -10.163 1.195 1.00 0.00 O ATOM 228 CB THR A 13 3.404 -12.660 -0.344 1.00 0.00 C ATOM 229 OG1 THR A 13 3.776 -13.986 -0.710 1.00 0.00 O ATOM 230 CG2 THR A 13 2.470 -12.210 -1.469 1.00 0.00 C ATOM 0 H THR A 13 5.270 -12.859 1.440 1.00 0.00 H new ATOM 0 HA THR A 13 5.098 -11.847 -1.362 1.00 0.00 H new ATOM 0 HB THR A 13 2.904 -12.531 0.616 1.00 0.00 H new ATOM 0 HG1 THR A 13 3.765 -14.560 0.084 1.00 0.00 H new ATOM 0 HG21 THR A 13 1.547 -12.788 -1.428 1.00 0.00 H new ATOM 0 HG22 THR A 13 2.241 -11.151 -1.350 1.00 0.00 H new ATOM 0 HG23 THR A 13 2.956 -12.370 -2.431 1.00 0.00 H new ATOM 238 N ILE A 14 5.034 -9.536 -0.753 1.00 0.00 N ATOM 239 CA ILE A 14 4.960 -8.115 -0.461 1.00 0.00 C ATOM 240 C ILE A 14 3.790 -7.501 -1.232 1.00 0.00 C ATOM 241 O ILE A 14 3.814 -7.441 -2.460 1.00 0.00 O ATOM 242 CB ILE A 14 6.304 -7.439 -0.742 1.00 0.00 C ATOM 243 CG1 ILE A 14 7.469 -8.348 -0.342 1.00 0.00 C ATOM 244 CG2 ILE A 14 6.384 -6.072 -0.061 1.00 0.00 C ATOM 245 CD1 ILE A 14 7.473 -8.601 1.167 1.00 0.00 C ATOM 0 H ILE A 14 5.454 -9.765 -1.654 1.00 0.00 H new ATOM 0 HA ILE A 14 4.764 -7.954 0.599 1.00 0.00 H new ATOM 0 HB ILE A 14 6.382 -7.268 -1.816 1.00 0.00 H new ATOM 0 HG12 ILE A 14 7.394 -9.297 -0.873 1.00 0.00 H new ATOM 0 HG13 ILE A 14 8.412 -7.889 -0.640 1.00 0.00 H new ATOM 0 HG21 ILE A 14 7.349 -5.614 -0.277 1.00 0.00 H new ATOM 0 HG22 ILE A 14 5.586 -5.431 -0.436 1.00 0.00 H new ATOM 0 HG23 ILE A 14 6.274 -6.195 1.016 1.00 0.00 H new ATOM 0 HD11 ILE A 14 8.310 -9.249 1.425 1.00 0.00 H new ATOM 0 HD12 ILE A 14 7.573 -7.652 1.695 1.00 0.00 H new ATOM 0 HD13 ILE A 14 6.539 -9.082 1.458 1.00 0.00 H new ATOM 257 N SER A 15 2.794 -7.059 -0.479 1.00 0.00 N ATOM 258 CA SER A 15 1.617 -6.451 -1.076 1.00 0.00 C ATOM 259 C SER A 15 1.715 -4.927 -0.992 1.00 0.00 C ATOM 260 O SER A 15 1.548 -4.348 0.080 1.00 0.00 O ATOM 261 CB SER A 15 0.338 -6.939 -0.391 1.00 0.00 C ATOM 262 OG SER A 15 -0.620 -7.419 -1.330 1.00 0.00 O ATOM 0 H SER A 15 2.778 -7.110 0.540 1.00 0.00 H new ATOM 0 HA SER A 15 1.573 -6.748 -2.124 1.00 0.00 H new ATOM 0 HB2 SER A 15 0.584 -7.733 0.314 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.098 -6.124 0.187 1.00 0.00 H new ATOM 0 HG SER A 15 -1.421 -7.723 -0.854 1.00 0.00 H new ATOM 268 N LEU A 16 1.986 -4.320 -2.138 1.00 0.00 N ATOM 269 CA LEU A 16 2.109 -2.874 -2.208 1.00 0.00 C ATOM 270 C LEU A 16 0.929 -2.304 -2.999 1.00 0.00 C ATOM 271 O LEU A 16 0.675 -2.720 -4.128 1.00 0.00 O ATOM 272 CB LEU A 16 3.475 -2.479 -2.772 1.00 0.00 C ATOM 273 CG LEU A 16 4.576 -2.218 -1.742 1.00 0.00 C ATOM 274 CD1 LEU A 16 4.409 -0.840 -1.098 1.00 0.00 C ATOM 275 CD2 LEU A 16 4.627 -3.336 -0.699 1.00 0.00 C ATOM 0 H LEU A 16 2.124 -4.803 -3.026 1.00 0.00 H new ATOM 0 HA LEU A 16 2.064 -2.439 -1.209 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.812 -3.270 -3.442 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.350 -1.581 -3.377 1.00 0.00 H new ATOM 0 HG LEU A 16 5.535 -2.217 -2.260 1.00 0.00 H new ATOM 0 HD11 LEU A 16 5.204 -0.680 -0.370 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.461 -0.070 -1.868 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.442 -0.787 -0.597 1.00 0.00 H new ATOM 0 HD21 LEU A 16 5.418 -3.126 0.021 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.670 -3.394 -0.180 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.829 -4.286 -1.194 1.00 0.00 H new ATOM 287 N PHE A 17 0.241 -1.359 -2.374 1.00 0.00 N ATOM 288 CA PHE A 17 -0.905 -0.728 -3.005 1.00 0.00 C ATOM 289 C PHE A 17 -0.525 0.629 -3.602 1.00 0.00 C ATOM 290 O PHE A 17 0.136 1.434 -2.949 1.00 0.00 O ATOM 291 CB PHE A 17 -1.956 -0.515 -1.914 1.00 0.00 C ATOM 292 CG PHE A 17 -3.027 0.516 -2.273 1.00 0.00 C ATOM 293 CD1 PHE A 17 -3.417 0.669 -3.567 1.00 0.00 C ATOM 294 CD2 PHE A 17 -3.590 1.280 -1.299 1.00 0.00 C ATOM 295 CE1 PHE A 17 -4.411 1.627 -3.901 1.00 0.00 C ATOM 296 CE2 PHE A 17 -4.585 2.237 -1.633 1.00 0.00 C ATOM 297 CZ PHE A 17 -4.974 2.390 -2.927 1.00 0.00 C ATOM 0 H PHE A 17 0.456 -1.016 -1.438 1.00 0.00 H new ATOM 0 HA PHE A 17 -1.278 -1.358 -3.812 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -2.441 -1.468 -1.700 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -1.455 -0.200 -0.999 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -2.971 0.062 -4.341 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -3.281 1.159 -0.271 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -4.720 1.749 -4.929 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -5.033 2.843 -0.859 1.00 0.00 H new ATOM 0 HZ PHE A 17 -5.730 3.118 -3.181 1.00 0.00 H new ATOM 307 N THR A 18 -0.959 0.839 -4.836 1.00 0.00 N ATOM 308 CA THR A 18 -0.672 2.084 -5.528 1.00 0.00 C ATOM 309 C THR A 18 -1.799 3.094 -5.298 1.00 0.00 C ATOM 310 O THR A 18 -2.967 2.718 -5.216 1.00 0.00 O ATOM 311 CB THR A 18 -0.437 1.761 -7.004 1.00 0.00 C ATOM 312 OG1 THR A 18 0.963 1.513 -7.087 1.00 0.00 O ATOM 313 CG2 THR A 18 -0.655 2.975 -7.911 1.00 0.00 C ATOM 0 H THR A 18 -1.507 0.168 -5.374 1.00 0.00 H new ATOM 0 HA THR A 18 0.229 2.556 -5.137 1.00 0.00 H new ATOM 0 HB THR A 18 -1.104 0.955 -7.309 1.00 0.00 H new ATOM 0 HG1 THR A 18 1.117 0.658 -7.541 1.00 0.00 H new ATOM 0 HG21 THR A 18 -0.475 2.691 -8.948 1.00 0.00 H new ATOM 0 HG22 THR A 18 -1.680 3.330 -7.804 1.00 0.00 H new ATOM 0 HG23 THR A 18 0.035 3.770 -7.627 1.00 0.00 H new ATOM 321 N ASN A 19 -1.408 4.356 -5.201 1.00 0.00 N ATOM 322 CA ASN A 19 -2.371 5.423 -4.982 1.00 0.00 C ATOM 323 C ASN A 19 -1.969 6.644 -5.812 1.00 0.00 C ATOM 324 O ASN A 19 -1.827 7.742 -5.277 1.00 0.00 O ATOM 325 CB ASN A 19 -2.405 5.841 -3.511 1.00 0.00 C ATOM 326 CG ASN A 19 -3.663 6.654 -3.201 1.00 0.00 C ATOM 327 OD1 ASN A 19 -4.764 6.324 -3.611 1.00 0.00 O ATOM 328 ND2 ASN A 19 -3.440 7.733 -2.457 1.00 0.00 N ATOM 0 H ASN A 19 -0.438 4.664 -5.270 1.00 0.00 H new ATOM 0 HA ASN A 19 -3.355 5.055 -5.275 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -2.375 4.955 -2.877 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -1.519 6.431 -3.276 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -4.216 8.342 -2.196 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -2.493 7.952 -2.147 1.00 0.00 H new ATOM 335 N ASP A 20 -1.798 6.411 -7.105 1.00 0.00 N ATOM 336 CA ASP A 20 -1.416 7.478 -8.014 1.00 0.00 C ATOM 337 C ASP A 20 -0.020 7.983 -7.643 1.00 0.00 C ATOM 338 O ASP A 20 0.502 7.649 -6.580 1.00 0.00 O ATOM 339 CB ASP A 20 -2.386 8.657 -7.917 1.00 0.00 C ATOM 340 CG ASP A 20 -2.208 9.731 -8.992 1.00 0.00 C ATOM 341 OD1 ASP A 20 -2.709 9.499 -10.114 1.00 0.00 O ATOM 342 OD2 ASP A 20 -1.575 10.759 -8.669 1.00 0.00 O ATOM 0 H ASP A 20 -1.917 5.498 -7.545 1.00 0.00 H new ATOM 0 HA ASP A 20 -1.433 7.079 -9.028 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -3.405 8.275 -7.972 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -2.272 9.122 -6.938 1.00 0.00 H new ATOM 347 N ILE A 21 0.544 8.778 -8.539 1.00 0.00 N ATOM 348 CA ILE A 21 1.870 9.332 -8.319 1.00 0.00 C ATOM 349 C ILE A 21 2.266 10.189 -9.523 1.00 0.00 C ATOM 350 O ILE A 21 1.966 11.381 -9.566 1.00 0.00 O ATOM 351 CB ILE A 21 2.870 8.218 -8.001 1.00 0.00 C ATOM 352 CG1 ILE A 21 2.258 6.841 -8.265 1.00 0.00 C ATOM 353 CG2 ILE A 21 3.397 8.347 -6.571 1.00 0.00 C ATOM 354 CD1 ILE A 21 3.143 6.020 -9.206 1.00 0.00 C ATOM 0 H ILE A 21 0.108 9.052 -9.419 1.00 0.00 H new ATOM 0 HA ILE A 21 1.870 9.987 -7.448 1.00 0.00 H new ATOM 0 HB ILE A 21 3.724 8.324 -8.669 1.00 0.00 H new ATOM 0 HG12 ILE A 21 2.131 6.309 -7.322 1.00 0.00 H new ATOM 0 HG13 ILE A 21 1.266 6.957 -8.702 1.00 0.00 H new ATOM 0 HG21 ILE A 21 4.106 7.543 -6.371 1.00 0.00 H new ATOM 0 HG22 ILE A 21 3.896 9.309 -6.452 1.00 0.00 H new ATOM 0 HG23 ILE A 21 2.565 8.281 -5.869 1.00 0.00 H new ATOM 0 HD11 ILE A 21 2.686 5.046 -9.378 1.00 0.00 H new ATOM 0 HD12 ILE A 21 3.248 6.544 -10.156 1.00 0.00 H new ATOM 0 HD13 ILE A 21 4.126 5.885 -8.755 1.00 0.00 H new ATOM 366 N ALA A 22 2.933 9.548 -10.471 1.00 0.00 N ATOM 367 CA ALA A 22 3.374 10.237 -11.673 1.00 0.00 C ATOM 368 C ALA A 22 3.150 9.331 -12.885 1.00 0.00 C ATOM 369 O ALA A 22 2.099 8.704 -13.011 1.00 0.00 O ATOM 370 CB ALA A 22 4.838 10.650 -11.516 1.00 0.00 C ATOM 0 H ALA A 22 3.179 8.559 -10.432 1.00 0.00 H new ATOM 0 HA ALA A 22 2.794 11.147 -11.830 1.00 0.00 H new ATOM 0 HB1 ALA A 22 5.169 11.167 -12.417 1.00 0.00 H new ATOM 0 HB2 ALA A 22 4.938 11.315 -10.659 1.00 0.00 H new ATOM 0 HB3 ALA A 22 5.452 9.763 -11.360 1.00 0.00 H new ATOM 376 N SER A 23 4.154 9.292 -13.748 1.00 0.00 N ATOM 377 CA SER A 23 4.080 8.474 -14.947 1.00 0.00 C ATOM 378 C SER A 23 3.263 7.211 -14.668 1.00 0.00 C ATOM 379 O SER A 23 2.058 7.181 -14.909 1.00 0.00 O ATOM 380 CB SER A 23 5.478 8.103 -15.447 1.00 0.00 C ATOM 381 OG SER A 23 6.170 9.228 -15.980 1.00 0.00 O ATOM 0 H SER A 23 5.024 9.814 -13.641 1.00 0.00 H new ATOM 0 HA SER A 23 3.587 9.053 -15.727 1.00 0.00 H new ATOM 0 HB2 SER A 23 6.056 7.678 -14.626 1.00 0.00 H new ATOM 0 HB3 SER A 23 5.396 7.332 -16.213 1.00 0.00 H new ATOM 0 HG SER A 23 7.058 8.950 -16.287 1.00 0.00 H new ATOM 387 N ASN A 24 3.953 6.198 -14.164 1.00 0.00 N ATOM 388 CA ASN A 24 3.307 4.935 -13.851 1.00 0.00 C ATOM 389 C ASN A 24 2.741 4.996 -12.430 1.00 0.00 C ATOM 390 O ASN A 24 3.442 4.696 -11.465 1.00 0.00 O ATOM 391 CB ASN A 24 4.303 3.775 -13.913 1.00 0.00 C ATOM 392 CG ASN A 24 3.913 2.776 -15.004 1.00 0.00 C ATOM 393 OD1 ASN A 24 2.853 2.173 -14.980 1.00 0.00 O ATOM 394 ND2 ASN A 24 4.828 2.635 -15.960 1.00 0.00 N ATOM 0 H ASN A 24 4.953 6.227 -13.965 1.00 0.00 H new ATOM 0 HA ASN A 24 2.517 4.770 -14.583 1.00 0.00 H new ATOM 0 HB2 ASN A 24 5.304 4.160 -14.108 1.00 0.00 H new ATOM 0 HB3 ASN A 24 4.339 3.270 -12.948 1.00 0.00 H new ATOM 0 HD21 ASN A 24 4.662 1.991 -16.734 1.00 0.00 H new ATOM 0 HD22 ASN A 24 5.695 3.171 -15.919 1.00 0.00 H new ATOM 401 N ILE A 25 1.477 5.385 -12.348 1.00 0.00 N ATOM 402 CA ILE A 25 0.809 5.489 -11.061 1.00 0.00 C ATOM 403 C ILE A 25 1.170 4.274 -10.204 1.00 0.00 C ATOM 404 O ILE A 25 1.325 4.391 -8.990 1.00 0.00 O ATOM 405 CB ILE A 25 -0.697 5.680 -11.254 1.00 0.00 C ATOM 406 CG1 ILE A 25 -1.053 7.165 -11.353 1.00 0.00 C ATOM 407 CG2 ILE A 25 -1.485 4.975 -10.148 1.00 0.00 C ATOM 408 CD1 ILE A 25 -0.690 7.725 -12.730 1.00 0.00 C ATOM 0 H ILE A 25 0.898 5.632 -13.151 1.00 0.00 H new ATOM 0 HA ILE A 25 1.153 6.372 -10.523 1.00 0.00 H new ATOM 0 HB ILE A 25 -0.982 5.217 -12.199 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -2.119 7.300 -11.171 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -0.525 7.722 -10.579 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.552 5.126 -10.309 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -1.263 3.908 -10.167 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -1.202 5.388 -9.180 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -0.953 8.782 -12.774 1.00 0.00 H new ATOM 0 HD12 ILE A 25 0.381 7.610 -12.899 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -1.239 7.182 -13.500 1.00 0.00 H new ATOM 420 N LYS A 26 1.292 3.135 -10.871 1.00 0.00 N ATOM 421 CA LYS A 26 1.631 1.900 -10.185 1.00 0.00 C ATOM 422 C LYS A 26 3.149 1.819 -10.011 1.00 0.00 C ATOM 423 O LYS A 26 3.645 1.719 -8.890 1.00 0.00 O ATOM 424 CB LYS A 26 1.032 0.698 -10.918 1.00 0.00 C ATOM 425 CG LYS A 26 1.243 0.816 -12.429 1.00 0.00 C ATOM 426 CD LYS A 26 -0.096 0.888 -13.166 1.00 0.00 C ATOM 427 CE LYS A 26 -0.491 2.340 -13.444 1.00 0.00 C ATOM 428 NZ LYS A 26 0.543 3.011 -14.263 1.00 0.00 N ATOM 0 H LYS A 26 1.162 3.042 -11.878 1.00 0.00 H new ATOM 0 HA LYS A 26 1.193 1.886 -9.187 1.00 0.00 H new ATOM 0 HB2 LYS A 26 1.492 -0.221 -10.554 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -0.034 0.629 -10.700 1.00 0.00 H new ATOM 0 HG2 LYS A 26 1.832 1.707 -12.649 1.00 0.00 H new ATOM 0 HG3 LYS A 26 1.814 -0.040 -12.788 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -0.028 0.340 -14.105 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -0.870 0.405 -12.570 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -1.449 2.369 -13.962 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -0.621 2.874 -12.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 0.851 3.883 -13.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 1.357 2.375 -14.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 0.148 3.247 -15.196 1.00 0.00 H new ATOM 442 N SER A 27 3.845 1.865 -11.137 1.00 0.00 N ATOM 443 CA SER A 27 5.297 1.799 -11.123 1.00 0.00 C ATOM 444 C SER A 27 5.867 2.975 -10.329 1.00 0.00 C ATOM 445 O SER A 27 6.447 2.785 -9.261 1.00 0.00 O ATOM 446 CB SER A 27 5.862 1.795 -12.545 1.00 0.00 C ATOM 447 OG SER A 27 6.513 3.021 -12.864 1.00 0.00 O ATOM 0 H SER A 27 3.431 1.947 -12.065 1.00 0.00 H new ATOM 0 HA SER A 27 5.592 0.867 -10.641 1.00 0.00 H new ATOM 0 HB2 SER A 27 6.568 0.971 -12.652 1.00 0.00 H new ATOM 0 HB3 SER A 27 5.055 1.618 -13.255 1.00 0.00 H new ATOM 0 HG SER A 27 6.957 2.939 -13.734 1.00 0.00 H new ATOM 453 N GLN A 28 5.683 4.166 -10.881 1.00 0.00 N ATOM 454 CA GLN A 28 6.172 5.373 -10.237 1.00 0.00 C ATOM 455 C GLN A 28 5.949 5.296 -8.725 1.00 0.00 C ATOM 456 O GLN A 28 6.666 5.934 -7.956 1.00 0.00 O ATOM 457 CB GLN A 28 5.504 6.617 -10.826 1.00 0.00 C ATOM 458 CG GLN A 28 5.743 7.840 -9.938 1.00 0.00 C ATOM 459 CD GLN A 28 7.167 8.372 -10.109 1.00 0.00 C ATOM 460 OE1 GLN A 28 7.874 8.040 -11.046 1.00 0.00 O ATOM 461 NE2 GLN A 28 7.548 9.215 -9.153 1.00 0.00 N ATOM 0 H GLN A 28 5.202 4.320 -11.767 1.00 0.00 H new ATOM 0 HA GLN A 28 7.243 5.452 -10.423 1.00 0.00 H new ATOM 0 HB2 GLN A 28 5.896 6.806 -11.825 1.00 0.00 H new ATOM 0 HB3 GLN A 28 4.433 6.444 -10.932 1.00 0.00 H new ATOM 0 HG2 GLN A 28 5.026 8.622 -10.189 1.00 0.00 H new ATOM 0 HG3 GLN A 28 5.573 7.575 -8.894 1.00 0.00 H new ATOM 0 HE21 GLN A 28 6.907 9.451 -8.396 1.00 0.00 H new ATOM 0 HE22 GLN A 28 8.482 9.625 -9.177 1.00 0.00 H new ATOM 470 N LYS A 29 4.954 4.508 -8.345 1.00 0.00 N ATOM 471 CA LYS A 29 4.628 4.339 -6.939 1.00 0.00 C ATOM 472 C LYS A 29 5.746 3.552 -6.253 1.00 0.00 C ATOM 473 O LYS A 29 6.622 4.136 -5.617 1.00 0.00 O ATOM 474 CB LYS A 29 3.244 3.707 -6.782 1.00 0.00 C ATOM 475 CG LYS A 29 2.953 3.383 -5.315 1.00 0.00 C ATOM 476 CD LYS A 29 1.949 4.374 -4.724 1.00 0.00 C ATOM 477 CE LYS A 29 2.638 5.681 -4.326 1.00 0.00 C ATOM 478 NZ LYS A 29 1.789 6.842 -4.674 1.00 0.00 N ATOM 0 H LYS A 29 4.363 3.979 -8.986 1.00 0.00 H new ATOM 0 HA LYS A 29 4.568 5.307 -6.442 1.00 0.00 H new ATOM 0 HB2 LYS A 29 2.484 4.387 -7.166 1.00 0.00 H new ATOM 0 HB3 LYS A 29 3.186 2.796 -7.378 1.00 0.00 H new ATOM 0 HG2 LYS A 29 2.560 2.370 -5.234 1.00 0.00 H new ATOM 0 HG3 LYS A 29 3.879 3.413 -4.742 1.00 0.00 H new ATOM 0 HD2 LYS A 29 1.164 4.580 -5.452 1.00 0.00 H new ATOM 0 HD3 LYS A 29 1.467 3.932 -3.852 1.00 0.00 H new ATOM 0 HE2 LYS A 29 2.842 5.680 -3.255 1.00 0.00 H new ATOM 0 HE3 LYS A 29 3.599 5.761 -4.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 2.300 7.722 -4.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 1.560 6.813 -5.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 0.910 6.808 -4.119 1.00 0.00 H new ATOM 492 N CYS A 30 5.680 2.237 -6.404 1.00 0.00 N ATOM 493 CA CYS A 30 6.675 1.363 -5.807 1.00 0.00 C ATOM 494 C CYS A 30 7.920 1.374 -6.696 1.00 0.00 C ATOM 495 O CYS A 30 9.013 1.699 -6.236 1.00 0.00 O ATOM 496 CB CYS A 30 6.134 -0.053 -5.600 1.00 0.00 C ATOM 497 SG CYS A 30 4.361 0.014 -5.152 1.00 0.00 S ATOM 0 H CYS A 30 4.952 1.756 -6.932 1.00 0.00 H new ATOM 0 HA CYS A 30 6.935 1.730 -4.814 1.00 0.00 H new ATOM 0 HB2 CYS A 30 6.266 -0.638 -6.510 1.00 0.00 H new ATOM 0 HB3 CYS A 30 6.698 -0.555 -4.814 1.00 0.00 H new ATOM 0 HG CYS A 30 4.234 0.501 -3.953 1.00 0.00 H new ATOM 503 N LEU A 31 7.712 1.015 -7.955 1.00 0.00 N ATOM 504 CA LEU A 31 8.804 0.980 -8.913 1.00 0.00 C ATOM 505 C LEU A 31 9.808 2.084 -8.576 1.00 0.00 C ATOM 506 O LEU A 31 11.013 1.906 -8.751 1.00 0.00 O ATOM 507 CB LEU A 31 8.265 1.054 -10.342 1.00 0.00 C ATOM 508 CG LEU A 31 8.160 -0.276 -11.090 1.00 0.00 C ATOM 509 CD1 LEU A 31 9.374 -1.163 -10.804 1.00 0.00 C ATOM 510 CD2 LEU A 31 6.843 -0.985 -10.767 1.00 0.00 C ATOM 0 H LEU A 31 6.804 0.746 -8.333 1.00 0.00 H new ATOM 0 HA LEU A 31 9.338 0.032 -8.847 1.00 0.00 H new ATOM 0 HB2 LEU A 31 7.276 1.510 -10.313 1.00 0.00 H new ATOM 0 HB3 LEU A 31 8.907 1.721 -10.917 1.00 0.00 H new ATOM 0 HG LEU A 31 8.159 -0.067 -12.160 1.00 0.00 H new ATOM 0 HD11 LEU A 31 9.274 -2.102 -11.348 1.00 0.00 H new ATOM 0 HD12 LEU A 31 10.282 -0.652 -11.125 1.00 0.00 H new ATOM 0 HD13 LEU A 31 9.432 -1.367 -9.735 1.00 0.00 H new ATOM 0 HD21 LEU A 31 6.794 -1.928 -11.312 1.00 0.00 H new ATOM 0 HD22 LEU A 31 6.789 -1.182 -9.696 1.00 0.00 H new ATOM 0 HD23 LEU A 31 6.007 -0.351 -11.062 1.00 0.00 H new ATOM 522 N GLN A 32 9.276 3.199 -8.099 1.00 0.00 N ATOM 523 CA GLN A 32 10.110 4.331 -7.736 1.00 0.00 C ATOM 524 C GLN A 32 10.750 4.101 -6.365 1.00 0.00 C ATOM 525 O GLN A 32 11.961 4.251 -6.208 1.00 0.00 O ATOM 526 CB GLN A 32 9.307 5.633 -7.754 1.00 0.00 C ATOM 527 CG GLN A 32 9.042 6.094 -9.189 1.00 0.00 C ATOM 528 CD GLN A 32 10.154 7.023 -9.680 1.00 0.00 C ATOM 529 OE1 GLN A 32 10.612 7.910 -8.979 1.00 0.00 O ATOM 530 NE2 GLN A 32 10.561 6.771 -10.921 1.00 0.00 N ATOM 0 H GLN A 32 8.276 3.343 -7.955 1.00 0.00 H new ATOM 0 HA GLN A 32 10.905 4.423 -8.476 1.00 0.00 H new ATOM 0 HB2 GLN A 32 8.360 5.488 -7.234 1.00 0.00 H new ATOM 0 HB3 GLN A 32 9.851 6.408 -7.214 1.00 0.00 H new ATOM 0 HG2 GLN A 32 8.971 5.227 -9.846 1.00 0.00 H new ATOM 0 HG3 GLN A 32 8.083 6.611 -9.238 1.00 0.00 H new ATOM 0 HE21 GLN A 32 10.135 6.012 -11.453 1.00 0.00 H new ATOM 0 HE22 GLN A 32 11.299 7.336 -11.340 1.00 0.00 H new ATOM 539 N LEU A 33 9.909 3.741 -5.407 1.00 0.00 N ATOM 540 CA LEU A 33 10.377 3.489 -4.055 1.00 0.00 C ATOM 541 C LEU A 33 11.506 2.457 -4.095 1.00 0.00 C ATOM 542 O LEU A 33 12.564 2.666 -3.503 1.00 0.00 O ATOM 543 CB LEU A 33 9.210 3.089 -3.150 1.00 0.00 C ATOM 544 CG LEU A 33 9.366 3.429 -1.666 1.00 0.00 C ATOM 545 CD1 LEU A 33 8.742 2.343 -0.787 1.00 0.00 C ATOM 546 CD2 LEU A 33 10.833 3.681 -1.312 1.00 0.00 C ATOM 0 H LEU A 33 8.905 3.618 -5.540 1.00 0.00 H new ATOM 0 HA LEU A 33 10.791 4.398 -3.619 1.00 0.00 H new ATOM 0 HB2 LEU A 33 8.306 3.573 -3.520 1.00 0.00 H new ATOM 0 HB3 LEU A 33 9.056 2.014 -3.242 1.00 0.00 H new ATOM 0 HG LEU A 33 8.824 4.354 -1.468 1.00 0.00 H new ATOM 0 HD11 LEU A 33 8.866 2.609 0.263 1.00 0.00 H new ATOM 0 HD12 LEU A 33 7.680 2.255 -1.016 1.00 0.00 H new ATOM 0 HD13 LEU A 33 9.235 1.390 -0.981 1.00 0.00 H new ATOM 0 HD21 LEU A 33 10.916 3.920 -0.252 1.00 0.00 H new ATOM 0 HD22 LEU A 33 11.418 2.787 -1.529 1.00 0.00 H new ATOM 0 HD23 LEU A 33 11.212 4.515 -1.903 1.00 0.00 H new ATOM 558 N LEU A 34 11.243 1.366 -4.799 1.00 0.00 N ATOM 559 CA LEU A 34 12.223 0.301 -4.924 1.00 0.00 C ATOM 560 C LEU A 34 13.372 0.774 -5.818 1.00 0.00 C ATOM 561 O LEU A 34 14.450 0.181 -5.815 1.00 0.00 O ATOM 562 CB LEU A 34 11.557 -0.987 -5.411 1.00 0.00 C ATOM 563 CG LEU A 34 10.064 -1.126 -5.105 1.00 0.00 C ATOM 564 CD1 LEU A 34 9.233 -1.059 -6.388 1.00 0.00 C ATOM 565 CD2 LEU A 34 9.784 -2.401 -4.307 1.00 0.00 C ATOM 0 H LEU A 34 10.365 1.197 -5.289 1.00 0.00 H new ATOM 0 HA LEU A 34 12.652 0.062 -3.951 1.00 0.00 H new ATOM 0 HB2 LEU A 34 11.695 -1.059 -6.490 1.00 0.00 H new ATOM 0 HB3 LEU A 34 12.079 -1.834 -4.966 1.00 0.00 H new ATOM 0 HG LEU A 34 9.763 -0.284 -4.482 1.00 0.00 H new ATOM 0 HD11 LEU A 34 8.176 -1.160 -6.142 1.00 0.00 H new ATOM 0 HD12 LEU A 34 9.401 -0.101 -6.881 1.00 0.00 H new ATOM 0 HD13 LEU A 34 9.529 -1.868 -7.056 1.00 0.00 H new ATOM 0 HD21 LEU A 34 8.716 -2.475 -4.103 1.00 0.00 H new ATOM 0 HD22 LEU A 34 10.105 -3.269 -4.883 1.00 0.00 H new ATOM 0 HD23 LEU A 34 10.332 -2.368 -3.365 1.00 0.00 H new ATOM 577 N LYS A 35 13.103 1.838 -6.560 1.00 0.00 N ATOM 578 CA LYS A 35 14.100 2.397 -7.457 1.00 0.00 C ATOM 579 C LYS A 35 15.326 2.823 -6.646 1.00 0.00 C ATOM 580 O LYS A 35 16.346 3.211 -7.214 1.00 0.00 O ATOM 581 CB LYS A 35 13.495 3.524 -8.296 1.00 0.00 C ATOM 582 CG LYS A 35 14.172 3.613 -9.665 1.00 0.00 C ATOM 583 CD LYS A 35 13.139 3.806 -10.776 1.00 0.00 C ATOM 584 CE LYS A 35 13.647 4.788 -11.833 1.00 0.00 C ATOM 585 NZ LYS A 35 14.603 4.120 -12.744 1.00 0.00 N ATOM 0 H LYS A 35 12.208 2.328 -6.558 1.00 0.00 H new ATOM 0 HA LYS A 35 14.435 1.645 -8.171 1.00 0.00 H new ATOM 0 HB2 LYS A 35 12.426 3.352 -8.425 1.00 0.00 H new ATOM 0 HB3 LYS A 35 13.604 4.472 -7.770 1.00 0.00 H new ATOM 0 HG2 LYS A 35 14.878 4.443 -9.672 1.00 0.00 H new ATOM 0 HG3 LYS A 35 14.746 2.705 -9.851 1.00 0.00 H new ATOM 0 HD2 LYS A 35 12.918 2.846 -11.243 1.00 0.00 H new ATOM 0 HD3 LYS A 35 12.206 4.175 -10.350 1.00 0.00 H new ATOM 0 HE2 LYS A 35 12.807 5.183 -12.404 1.00 0.00 H new ATOM 0 HE3 LYS A 35 14.130 5.636 -11.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 14.938 4.801 -13.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 15.413 3.764 -12.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 14.131 3.325 -13.221 1.00 0.00 H new ATOM 599 N GLY A 36 15.185 2.738 -5.331 1.00 0.00 N ATOM 600 CA GLY A 36 16.268 3.111 -4.437 1.00 0.00 C ATOM 601 C GLY A 36 17.448 2.146 -4.573 1.00 0.00 C ATOM 602 O GLY A 36 18.555 2.558 -4.915 1.00 0.00 O ATOM 0 H GLY A 36 14.337 2.416 -4.864 1.00 0.00 H new ATOM 0 HA2 GLY A 36 16.596 4.126 -4.661 1.00 0.00 H new ATOM 0 HA3 GLY A 36 15.911 3.111 -3.407 1.00 0.00 H new ATOM 606 N ASP A 37 17.170 0.880 -4.299 1.00 0.00 N ATOM 607 CA ASP A 37 18.195 -0.147 -4.387 1.00 0.00 C ATOM 608 C ASP A 37 17.528 -1.516 -4.536 1.00 0.00 C ATOM 609 O ASP A 37 17.499 -2.302 -3.591 1.00 0.00 O ATOM 610 CB ASP A 37 19.055 -0.176 -3.122 1.00 0.00 C ATOM 611 CG ASP A 37 20.012 1.007 -2.963 1.00 0.00 C ATOM 612 OD1 ASP A 37 20.673 1.342 -3.970 1.00 0.00 O ATOM 613 OD2 ASP A 37 20.062 1.550 -1.838 1.00 0.00 O ATOM 0 H ASP A 37 16.250 0.542 -4.016 1.00 0.00 H new ATOM 0 HA ASP A 37 18.825 0.079 -5.247 1.00 0.00 H new ATOM 0 HB2 ASP A 37 18.397 -0.210 -2.254 1.00 0.00 H new ATOM 0 HB3 ASP A 37 19.637 -1.098 -3.117 1.00 0.00 H new ATOM 618 N VAL A 38 17.009 -1.758 -5.731 1.00 0.00 N ATOM 619 CA VAL A 38 16.344 -3.018 -6.016 1.00 0.00 C ATOM 620 C VAL A 38 17.367 -4.018 -6.558 1.00 0.00 C ATOM 621 O VAL A 38 18.534 -3.677 -6.747 1.00 0.00 O ATOM 622 CB VAL A 38 15.171 -2.786 -6.971 1.00 0.00 C ATOM 623 CG1 VAL A 38 15.624 -2.882 -8.429 1.00 0.00 C ATOM 624 CG2 VAL A 38 14.030 -3.764 -6.686 1.00 0.00 C ATOM 0 H VAL A 38 17.036 -1.103 -6.513 1.00 0.00 H new ATOM 0 HA VAL A 38 15.925 -3.444 -5.104 1.00 0.00 H new ATOM 0 HB VAL A 38 14.796 -1.776 -6.802 1.00 0.00 H new ATOM 0 HG11 VAL A 38 14.771 -2.713 -9.087 1.00 0.00 H new ATOM 0 HG12 VAL A 38 16.387 -2.128 -8.623 1.00 0.00 H new ATOM 0 HG13 VAL A 38 16.037 -3.873 -8.617 1.00 0.00 H new ATOM 0 HG21 VAL A 38 13.209 -3.577 -7.379 1.00 0.00 H new ATOM 0 HG22 VAL A 38 14.387 -4.786 -6.813 1.00 0.00 H new ATOM 0 HG23 VAL A 38 13.680 -3.626 -5.663 1.00 0.00 H new ATOM 634 N SER A 39 16.892 -5.233 -6.793 1.00 0.00 N ATOM 635 CA SER A 39 17.751 -6.285 -7.309 1.00 0.00 C ATOM 636 C SER A 39 16.967 -7.594 -7.418 1.00 0.00 C ATOM 637 O SER A 39 17.039 -8.281 -8.436 1.00 0.00 O ATOM 638 CB SER A 39 18.983 -6.476 -6.422 1.00 0.00 C ATOM 639 OG SER A 39 20.137 -6.829 -7.179 1.00 0.00 O ATOM 0 H SER A 39 15.924 -5.512 -6.635 1.00 0.00 H new ATOM 0 HA SER A 39 18.094 -5.990 -8.301 1.00 0.00 H new ATOM 0 HB2 SER A 39 19.179 -5.556 -5.871 1.00 0.00 H new ATOM 0 HB3 SER A 39 18.782 -7.253 -5.685 1.00 0.00 H new ATOM 0 HG SER A 39 20.902 -6.940 -6.577 1.00 0.00 H new ATOM 645 N HIS A 40 16.237 -7.900 -6.356 1.00 0.00 N ATOM 646 CA HIS A 40 15.441 -9.114 -6.319 1.00 0.00 C ATOM 647 C HIS A 40 15.068 -9.441 -4.872 1.00 0.00 C ATOM 648 O HIS A 40 14.136 -8.858 -4.320 1.00 0.00 O ATOM 649 CB HIS A 40 16.171 -10.264 -7.017 1.00 0.00 C ATOM 650 CG HIS A 40 15.757 -10.471 -8.454 1.00 0.00 C ATOM 651 ND1 HIS A 40 15.014 -9.543 -9.162 1.00 0.00 N ATOM 652 CD2 HIS A 40 15.990 -11.509 -9.308 1.00 0.00 C ATOM 653 CE1 HIS A 40 14.814 -10.012 -10.385 1.00 0.00 C ATOM 654 NE2 HIS A 40 15.419 -11.231 -10.474 1.00 0.00 N ATOM 0 H HIS A 40 16.180 -7.327 -5.514 1.00 0.00 H new ATOM 0 HA HIS A 40 14.513 -8.961 -6.870 1.00 0.00 H new ATOM 0 HB2 HIS A 40 17.244 -10.074 -6.982 1.00 0.00 H new ATOM 0 HB3 HIS A 40 15.992 -11.185 -6.462 1.00 0.00 H new ATOM 0 HD2 HIS A 40 16.545 -12.406 -9.075 1.00 0.00 H new ATOM 0 HE1 HIS A 40 14.268 -9.516 -11.173 1.00 0.00 H new ATOM 0 HE2 HIS A 40 15.431 -11.830 -11.300 1.00 0.00 H new ATOM 662 N ARG A 41 15.816 -10.371 -4.297 1.00 0.00 N ATOM 663 CA ARG A 41 15.576 -10.782 -2.924 1.00 0.00 C ATOM 664 C ARG A 41 14.198 -11.433 -2.798 1.00 0.00 C ATOM 665 O ARG A 41 14.094 -12.621 -2.497 1.00 0.00 O ATOM 666 CB ARG A 41 15.659 -9.589 -1.970 1.00 0.00 C ATOM 667 CG ARG A 41 16.960 -8.811 -2.175 1.00 0.00 C ATOM 668 CD ARG A 41 18.172 -9.743 -2.107 1.00 0.00 C ATOM 669 NE ARG A 41 18.635 -10.072 -3.473 1.00 0.00 N ATOM 670 CZ ARG A 41 19.584 -10.978 -3.747 1.00 0.00 C ATOM 671 NH1 ARG A 41 20.176 -11.650 -2.751 1.00 0.00 N ATOM 672 NH2 ARG A 41 19.940 -11.212 -5.018 1.00 0.00 N ATOM 0 H ARG A 41 16.589 -10.852 -4.757 1.00 0.00 H new ATOM 0 HA ARG A 41 16.348 -11.503 -2.654 1.00 0.00 H new ATOM 0 HB2 ARG A 41 14.807 -8.929 -2.133 1.00 0.00 H new ATOM 0 HB3 ARG A 41 15.599 -9.938 -0.939 1.00 0.00 H new ATOM 0 HG2 ARG A 41 16.938 -8.307 -3.141 1.00 0.00 H new ATOM 0 HG3 ARG A 41 17.049 -8.037 -1.413 1.00 0.00 H new ATOM 0 HD2 ARG A 41 18.976 -9.267 -1.546 1.00 0.00 H new ATOM 0 HD3 ARG A 41 17.909 -10.656 -1.573 1.00 0.00 H new ATOM 0 HE ARG A 41 18.205 -9.578 -4.255 1.00 0.00 H new ATOM 0 HH11 ARG A 41 19.905 -11.472 -1.784 1.00 0.00 H new ATOM 0 HH12 ARG A 41 20.898 -12.339 -2.960 1.00 0.00 H new ATOM 0 HH21 ARG A 41 19.489 -10.701 -5.776 1.00 0.00 H new ATOM 0 HH22 ARG A 41 20.662 -11.901 -5.227 1.00 0.00 H new ATOM 686 N PHE A 42 13.174 -10.626 -3.035 1.00 0.00 N ATOM 687 CA PHE A 42 11.806 -11.109 -2.952 1.00 0.00 C ATOM 688 C PHE A 42 10.959 -10.560 -4.102 1.00 0.00 C ATOM 689 O PHE A 42 11.434 -9.747 -4.894 1.00 0.00 O ATOM 690 CB PHE A 42 11.233 -10.604 -1.626 1.00 0.00 C ATOM 691 CG PHE A 42 12.295 -10.158 -0.619 1.00 0.00 C ATOM 692 CD1 PHE A 42 13.078 -9.080 -0.889 1.00 0.00 C ATOM 693 CD2 PHE A 42 12.456 -10.841 0.546 1.00 0.00 C ATOM 694 CE1 PHE A 42 14.064 -8.666 0.046 1.00 0.00 C ATOM 695 CE2 PHE A 42 13.442 -10.428 1.481 1.00 0.00 C ATOM 696 CZ PHE A 42 14.225 -9.349 1.211 1.00 0.00 C ATOM 0 H PHE A 42 13.264 -9.641 -3.284 1.00 0.00 H new ATOM 0 HA PHE A 42 11.792 -12.197 -3.014 1.00 0.00 H new ATOM 0 HB2 PHE A 42 10.563 -9.768 -1.826 1.00 0.00 H new ATOM 0 HB3 PHE A 42 10.631 -11.394 -1.178 1.00 0.00 H new ATOM 0 HD1 PHE A 42 12.950 -8.538 -1.815 1.00 0.00 H new ATOM 0 HD2 PHE A 42 11.834 -11.698 0.760 1.00 0.00 H new ATOM 0 HE1 PHE A 42 14.686 -7.809 -0.168 1.00 0.00 H new ATOM 0 HE2 PHE A 42 13.570 -10.970 2.406 1.00 0.00 H new ATOM 0 HZ PHE A 42 14.975 -9.035 1.922 1.00 0.00 H new ATOM 706 N ASP A 43 9.720 -11.025 -4.157 1.00 0.00 N ATOM 707 CA ASP A 43 8.803 -10.591 -5.197 1.00 0.00 C ATOM 708 C ASP A 43 7.924 -9.462 -4.656 1.00 0.00 C ATOM 709 O ASP A 43 7.147 -9.667 -3.725 1.00 0.00 O ATOM 710 CB ASP A 43 7.887 -11.735 -5.637 1.00 0.00 C ATOM 711 CG ASP A 43 8.185 -12.305 -7.024 1.00 0.00 C ATOM 712 OD1 ASP A 43 8.236 -11.493 -7.973 1.00 0.00 O ATOM 713 OD2 ASP A 43 8.356 -13.541 -7.105 1.00 0.00 O ATOM 0 H ASP A 43 9.329 -11.698 -3.498 1.00 0.00 H new ATOM 0 HA ASP A 43 9.394 -10.255 -6.049 1.00 0.00 H new ATOM 0 HB2 ASP A 43 7.960 -12.541 -4.906 1.00 0.00 H new ATOM 0 HB3 ASP A 43 6.856 -11.382 -5.620 1.00 0.00 H new ATOM 718 N VAL A 44 8.076 -8.294 -5.264 1.00 0.00 N ATOM 719 CA VAL A 44 7.305 -7.132 -4.855 1.00 0.00 C ATOM 720 C VAL A 44 6.021 -7.060 -5.683 1.00 0.00 C ATOM 721 O VAL A 44 6.049 -7.259 -6.897 1.00 0.00 O ATOM 722 CB VAL A 44 8.162 -5.869 -4.969 1.00 0.00 C ATOM 723 CG1 VAL A 44 7.346 -4.621 -4.625 1.00 0.00 C ATOM 724 CG2 VAL A 44 9.407 -5.971 -4.086 1.00 0.00 C ATOM 0 H VAL A 44 8.721 -8.128 -6.036 1.00 0.00 H new ATOM 0 HA VAL A 44 7.012 -7.217 -3.808 1.00 0.00 H new ATOM 0 HB VAL A 44 8.492 -5.779 -6.004 1.00 0.00 H new ATOM 0 HG11 VAL A 44 7.978 -3.737 -4.714 1.00 0.00 H new ATOM 0 HG12 VAL A 44 6.504 -4.536 -5.312 1.00 0.00 H new ATOM 0 HG13 VAL A 44 6.974 -4.700 -3.604 1.00 0.00 H new ATOM 0 HG21 VAL A 44 9.999 -5.061 -4.185 1.00 0.00 H new ATOM 0 HG22 VAL A 44 9.106 -6.097 -3.046 1.00 0.00 H new ATOM 0 HG23 VAL A 44 10.004 -6.828 -4.397 1.00 0.00 H new ATOM 734 N GLU A 45 4.925 -6.774 -4.995 1.00 0.00 N ATOM 735 CA GLU A 45 3.634 -6.673 -5.652 1.00 0.00 C ATOM 736 C GLU A 45 3.207 -5.208 -5.762 1.00 0.00 C ATOM 737 O GLU A 45 2.954 -4.554 -4.752 1.00 0.00 O ATOM 738 CB GLU A 45 2.577 -7.498 -4.914 1.00 0.00 C ATOM 739 CG GLU A 45 1.913 -8.506 -5.854 1.00 0.00 C ATOM 740 CD GLU A 45 1.922 -9.910 -5.247 1.00 0.00 C ATOM 741 OE1 GLU A 45 2.973 -10.576 -5.373 1.00 0.00 O ATOM 742 OE2 GLU A 45 0.879 -10.286 -4.671 1.00 0.00 O ATOM 0 H GLU A 45 4.905 -6.609 -3.989 1.00 0.00 H new ATOM 0 HA GLU A 45 3.728 -7.080 -6.659 1.00 0.00 H new ATOM 0 HB2 GLU A 45 3.039 -8.024 -4.079 1.00 0.00 H new ATOM 0 HB3 GLU A 45 1.821 -6.835 -4.494 1.00 0.00 H new ATOM 0 HG2 GLU A 45 0.887 -8.200 -6.055 1.00 0.00 H new ATOM 0 HG3 GLU A 45 2.436 -8.516 -6.810 1.00 0.00 H new ATOM 749 N ILE A 46 3.141 -4.735 -6.998 1.00 0.00 N ATOM 750 CA ILE A 46 2.750 -3.359 -7.253 1.00 0.00 C ATOM 751 C ILE A 46 1.397 -3.343 -7.968 1.00 0.00 C ATOM 752 O ILE A 46 1.325 -3.577 -9.173 1.00 0.00 O ATOM 753 CB ILE A 46 3.854 -2.620 -8.011 1.00 0.00 C ATOM 754 CG1 ILE A 46 5.194 -2.741 -7.282 1.00 0.00 C ATOM 755 CG2 ILE A 46 3.467 -1.161 -8.259 1.00 0.00 C ATOM 756 CD1 ILE A 46 5.683 -4.190 -7.270 1.00 0.00 C ATOM 0 H ILE A 46 3.352 -5.280 -7.834 1.00 0.00 H new ATOM 0 HA ILE A 46 2.623 -2.819 -6.315 1.00 0.00 H new ATOM 0 HB ILE A 46 3.973 -3.092 -8.986 1.00 0.00 H new ATOM 0 HG12 ILE A 46 5.935 -2.107 -7.769 1.00 0.00 H new ATOM 0 HG13 ILE A 46 5.089 -2.380 -6.259 1.00 0.00 H new ATOM 0 HG21 ILE A 46 4.269 -0.659 -8.799 1.00 0.00 H new ATOM 0 HG22 ILE A 46 2.552 -1.123 -8.850 1.00 0.00 H new ATOM 0 HG23 ILE A 46 3.304 -0.661 -7.305 1.00 0.00 H new ATOM 0 HD11 ILE A 46 6.637 -4.248 -6.746 1.00 0.00 H new ATOM 0 HD12 ILE A 46 4.951 -4.817 -6.761 1.00 0.00 H new ATOM 0 HD13 ILE A 46 5.810 -4.540 -8.295 1.00 0.00 H new ATOM 768 N ALA A 47 0.358 -3.063 -7.194 1.00 0.00 N ATOM 769 CA ALA A 47 -0.988 -3.013 -7.738 1.00 0.00 C ATOM 770 C ALA A 47 -1.734 -1.822 -7.133 1.00 0.00 C ATOM 771 O ALA A 47 -1.547 -1.499 -5.961 1.00 0.00 O ATOM 772 CB ALA A 47 -1.697 -4.342 -7.471 1.00 0.00 C ATOM 0 H ALA A 47 0.422 -2.869 -6.195 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.960 -2.870 -8.818 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -2.707 -4.304 -7.879 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -1.143 -5.152 -7.947 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.746 -4.519 -6.397 1.00 0.00 H new ATOM 778 N ASN A 48 -2.563 -1.202 -7.959 1.00 0.00 N ATOM 779 CA ASN A 48 -3.338 -0.054 -7.520 1.00 0.00 C ATOM 780 C ASN A 48 -4.792 -0.477 -7.305 1.00 0.00 C ATOM 781 O ASN A 48 -5.471 -0.881 -8.248 1.00 0.00 O ATOM 782 CB ASN A 48 -3.320 1.058 -8.572 1.00 0.00 C ATOM 783 CG ASN A 48 -3.495 0.484 -9.979 1.00 0.00 C ATOM 784 OD1 ASN A 48 -4.410 -0.274 -10.259 1.00 0.00 O ATOM 785 ND2 ASN A 48 -2.570 0.885 -10.846 1.00 0.00 N ATOM 0 H ASN A 48 -2.715 -1.473 -8.931 1.00 0.00 H new ATOM 0 HA ASN A 48 -2.896 0.317 -6.595 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -4.117 1.772 -8.365 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -2.379 1.604 -8.513 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -2.599 0.557 -11.811 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -1.831 1.521 -10.546 1.00 0.00 H new ATOM 792 N ARG A 49 -5.227 -0.371 -6.058 1.00 0.00 N ATOM 793 CA ARG A 49 -6.589 -0.738 -5.707 1.00 0.00 C ATOM 794 C ARG A 49 -6.941 -0.203 -4.317 1.00 0.00 C ATOM 795 O ARG A 49 -6.057 0.026 -3.494 1.00 0.00 O ATOM 796 CB ARG A 49 -6.771 -2.257 -5.722 1.00 0.00 C ATOM 797 CG ARG A 49 -7.861 -2.668 -6.714 1.00 0.00 C ATOM 798 CD ARG A 49 -7.329 -3.691 -7.720 1.00 0.00 C ATOM 799 NE ARG A 49 -8.130 -3.642 -8.963 1.00 0.00 N ATOM 800 CZ ARG A 49 -8.040 -4.543 -9.951 1.00 0.00 C ATOM 801 NH1 ARG A 49 -7.184 -5.568 -9.847 1.00 0.00 N ATOM 802 NH2 ARG A 49 -8.807 -4.419 -11.043 1.00 0.00 N ATOM 0 H ARG A 49 -4.661 -0.036 -5.278 1.00 0.00 H new ATOM 0 HA ARG A 49 -7.254 -0.296 -6.450 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -5.830 -2.737 -5.990 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -7.033 -2.606 -4.723 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -8.709 -3.090 -6.174 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -8.227 -1.788 -7.243 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -6.283 -3.483 -7.943 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -7.371 -4.692 -7.290 1.00 0.00 H new ATOM 0 HE ARG A 49 -8.792 -2.874 -9.075 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -6.601 -5.663 -9.016 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -7.116 -6.254 -10.599 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -9.459 -3.639 -11.122 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -8.738 -5.105 -11.795 1.00 0.00 H new ATOM 816 N PHE A 50 -8.235 -0.019 -4.099 1.00 0.00 N ATOM 817 CA PHE A 50 -8.715 0.484 -2.824 1.00 0.00 C ATOM 818 C PHE A 50 -8.625 -0.592 -1.740 1.00 0.00 C ATOM 819 O PHE A 50 -8.978 -1.747 -1.977 1.00 0.00 O ATOM 820 CB PHE A 50 -10.182 0.873 -3.020 1.00 0.00 C ATOM 821 CG PHE A 50 -10.781 1.652 -1.847 1.00 0.00 C ATOM 822 CD1 PHE A 50 -10.260 2.857 -1.494 1.00 0.00 C ATOM 823 CD2 PHE A 50 -11.835 1.139 -1.157 1.00 0.00 C ATOM 824 CE1 PHE A 50 -10.816 3.580 -0.406 1.00 0.00 C ATOM 825 CE2 PHE A 50 -12.391 1.861 -0.069 1.00 0.00 C ATOM 826 CZ PHE A 50 -11.870 3.067 0.284 1.00 0.00 C ATOM 0 H PHE A 50 -8.966 -0.210 -4.785 1.00 0.00 H new ATOM 0 HA PHE A 50 -8.108 1.332 -2.507 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -10.270 1.474 -3.925 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -10.769 -0.031 -3.180 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -9.423 3.264 -2.041 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -12.249 0.182 -1.437 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -10.402 4.537 -0.126 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -13.228 1.453 0.479 1.00 0.00 H new ATOM 0 HZ PHE A 50 -12.293 3.617 1.112 1.00 0.00 H new ATOM 836 N PRO A 51 -8.139 -0.165 -0.544 1.00 0.00 N ATOM 837 CA PRO A 51 -7.998 -1.080 0.576 1.00 0.00 C ATOM 838 C PRO A 51 -9.359 -1.393 1.202 1.00 0.00 C ATOM 839 O PRO A 51 -9.616 -1.032 2.350 1.00 0.00 O ATOM 840 CB PRO A 51 -7.049 -0.382 1.537 1.00 0.00 C ATOM 841 CG PRO A 51 -7.060 1.086 1.141 1.00 0.00 C ATOM 842 CD PRO A 51 -7.711 1.195 -0.228 1.00 0.00 C ATOM 0 HA PRO A 51 -7.601 -2.051 0.279 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -7.374 -0.510 2.569 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -6.044 -0.798 1.465 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -7.612 1.675 1.874 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -6.045 1.481 1.113 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -8.557 1.882 -0.211 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -7.009 1.572 -0.972 1.00 0.00 H new ATOM 850 N THR A 52 -10.194 -2.061 0.421 1.00 0.00 N ATOM 851 CA THR A 52 -11.522 -2.427 0.884 1.00 0.00 C ATOM 852 C THR A 52 -11.427 -3.299 2.138 1.00 0.00 C ATOM 853 O THR A 52 -10.523 -4.124 2.258 1.00 0.00 O ATOM 854 CB THR A 52 -12.256 -3.106 -0.274 1.00 0.00 C ATOM 855 OG1 THR A 52 -11.356 -4.122 -0.708 1.00 0.00 O ATOM 856 CG2 THR A 52 -12.401 -2.192 -1.492 1.00 0.00 C ATOM 0 H THR A 52 -9.977 -2.359 -0.530 1.00 0.00 H new ATOM 0 HA THR A 52 -12.095 -1.548 1.180 1.00 0.00 H new ATOM 0 HB THR A 52 -13.243 -3.425 0.060 1.00 0.00 H new ATOM 0 HG1 THR A 52 -11.754 -4.613 -1.457 1.00 0.00 H new ATOM 0 HG21 THR A 52 -12.929 -2.723 -2.284 1.00 0.00 H new ATOM 0 HG22 THR A 52 -12.965 -1.302 -1.214 1.00 0.00 H new ATOM 0 HG23 THR A 52 -11.413 -1.899 -1.847 1.00 0.00 H new ATOM 864 N TRP A 53 -12.374 -3.085 3.041 1.00 0.00 N ATOM 865 CA TRP A 53 -12.409 -3.841 4.281 1.00 0.00 C ATOM 866 C TRP A 53 -12.424 -5.329 3.928 1.00 0.00 C ATOM 867 O TRP A 53 -11.970 -6.162 4.712 1.00 0.00 O ATOM 868 CB TRP A 53 -13.598 -3.419 5.146 1.00 0.00 C ATOM 869 CG TRP A 53 -13.990 -1.948 4.992 1.00 0.00 C ATOM 870 CD1 TRP A 53 -15.222 -1.421 4.965 1.00 0.00 C ATOM 871 CD2 TRP A 53 -13.090 -0.830 4.842 1.00 0.00 C ATOM 872 NE1 TRP A 53 -15.182 -0.051 4.810 1.00 0.00 N ATOM 873 CE2 TRP A 53 -13.845 0.320 4.733 1.00 0.00 C ATOM 874 CE3 TRP A 53 -11.686 -0.791 4.801 1.00 0.00 C ATOM 875 CZ2 TRP A 53 -13.283 1.593 4.575 1.00 0.00 C ATOM 876 CZ3 TRP A 53 -11.140 0.488 4.643 1.00 0.00 C ATOM 877 CH2 TRP A 53 -11.885 1.656 4.531 1.00 0.00 C ATOM 0 H TRP A 53 -13.122 -2.399 2.938 1.00 0.00 H new ATOM 0 HA TRP A 53 -11.524 -3.636 4.883 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -14.457 -4.041 4.894 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -13.360 -3.613 6.192 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -16.132 -1.997 5.053 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -15.986 0.575 4.761 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -11.076 -1.678 4.885 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -13.895 2.479 4.492 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -10.064 0.573 4.605 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -11.388 2.607 4.411 1.00 0.00 H new ATOM 888 N ASP A 54 -12.951 -5.619 2.748 1.00 0.00 N ATOM 889 CA ASP A 54 -13.032 -6.993 2.281 1.00 0.00 C ATOM 890 C ASP A 54 -11.648 -7.639 2.369 1.00 0.00 C ATOM 891 O ASP A 54 -11.472 -8.647 3.051 1.00 0.00 O ATOM 892 CB ASP A 54 -13.490 -7.053 0.822 1.00 0.00 C ATOM 893 CG ASP A 54 -14.960 -7.426 0.621 1.00 0.00 C ATOM 894 OD1 ASP A 54 -15.804 -6.520 0.794 1.00 0.00 O ATOM 895 OD2 ASP A 54 -15.207 -8.609 0.300 1.00 0.00 O ATOM 0 H ASP A 54 -13.326 -4.926 2.101 1.00 0.00 H new ATOM 0 HA ASP A 54 -13.752 -7.520 2.907 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -13.311 -6.082 0.360 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -12.871 -7.777 0.292 1.00 0.00 H new ATOM 900 N GLN A 55 -10.701 -7.032 1.669 1.00 0.00 N ATOM 901 CA GLN A 55 -9.338 -7.535 1.660 1.00 0.00 C ATOM 902 C GLN A 55 -8.568 -7.004 2.870 1.00 0.00 C ATOM 903 O GLN A 55 -7.958 -7.775 3.610 1.00 0.00 O ATOM 904 CB GLN A 55 -8.628 -7.170 0.355 1.00 0.00 C ATOM 905 CG GLN A 55 -9.236 -7.924 -0.830 1.00 0.00 C ATOM 906 CD GLN A 55 -8.145 -8.433 -1.774 1.00 0.00 C ATOM 907 OE1 GLN A 55 -7.166 -7.760 -2.053 1.00 0.00 O ATOM 908 NE2 GLN A 55 -8.367 -9.655 -2.250 1.00 0.00 N ATOM 0 H GLN A 55 -10.851 -6.196 1.104 1.00 0.00 H new ATOM 0 HA GLN A 55 -9.372 -8.623 1.725 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -8.703 -6.096 0.184 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -7.567 -7.407 0.436 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -9.828 -8.764 -0.466 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -9.915 -7.267 -1.374 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -9.207 -10.164 -1.976 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -7.697 -10.083 -2.889 1.00 0.00 H new ATOM 917 N LEU A 56 -8.620 -5.690 3.035 1.00 0.00 N ATOM 918 CA LEU A 56 -7.935 -5.047 4.143 1.00 0.00 C ATOM 919 C LEU A 56 -8.316 -5.748 5.449 1.00 0.00 C ATOM 920 O LEU A 56 -7.571 -5.693 6.427 1.00 0.00 O ATOM 921 CB LEU A 56 -8.217 -3.543 4.148 1.00 0.00 C ATOM 922 CG LEU A 56 -7.972 -2.819 5.473 1.00 0.00 C ATOM 923 CD1 LEU A 56 -8.998 -3.239 6.526 1.00 0.00 C ATOM 924 CD2 LEU A 56 -6.535 -3.030 5.955 1.00 0.00 C ATOM 0 H LEU A 56 -9.126 -5.053 2.419 1.00 0.00 H new ATOM 0 HA LEU A 56 -6.855 -5.145 4.031 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -7.599 -3.075 3.382 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -9.256 -3.387 3.859 1.00 0.00 H new ATOM 0 HG LEU A 56 -8.102 -1.750 5.307 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -8.801 -2.709 7.458 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -10.001 -2.994 6.175 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -8.925 -4.313 6.697 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -6.387 -2.505 6.899 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -6.352 -4.095 6.100 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -5.841 -2.641 5.210 1.00 0.00 H new ATOM 936 N GLN A 57 -9.474 -6.391 5.422 1.00 0.00 N ATOM 937 CA GLN A 57 -9.962 -7.102 6.591 1.00 0.00 C ATOM 938 C GLN A 57 -8.823 -7.878 7.255 1.00 0.00 C ATOM 939 O GLN A 57 -8.858 -8.131 8.458 1.00 0.00 O ATOM 940 CB GLN A 57 -11.118 -8.034 6.223 1.00 0.00 C ATOM 941 CG GLN A 57 -10.940 -9.410 6.868 1.00 0.00 C ATOM 942 CD GLN A 57 -12.127 -10.322 6.551 1.00 0.00 C ATOM 943 OE1 GLN A 57 -13.233 -9.877 6.291 1.00 0.00 O ATOM 944 NE2 GLN A 57 -11.836 -11.619 6.586 1.00 0.00 N ATOM 0 H GLN A 57 -10.088 -6.434 4.609 1.00 0.00 H new ATOM 0 HA GLN A 57 -10.341 -6.370 7.304 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -12.061 -7.595 6.548 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -11.173 -8.141 5.140 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -10.019 -9.868 6.508 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -10.840 -9.299 7.948 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -10.889 -11.923 6.811 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -12.560 -12.310 6.388 1.00 0.00 H new ATOM 953 N TYR A 58 -7.839 -8.233 6.442 1.00 0.00 N ATOM 954 CA TYR A 58 -6.691 -8.974 6.935 1.00 0.00 C ATOM 955 C TYR A 58 -5.843 -8.112 7.873 1.00 0.00 C ATOM 956 O TYR A 58 -5.534 -8.524 8.991 1.00 0.00 O ATOM 957 CB TYR A 58 -5.860 -9.334 5.702 1.00 0.00 C ATOM 958 CG TYR A 58 -6.537 -10.337 4.766 1.00 0.00 C ATOM 959 CD1 TYR A 58 -7.215 -11.419 5.289 1.00 0.00 C ATOM 960 CD2 TYR A 58 -6.470 -10.159 3.399 1.00 0.00 C ATOM 961 CE1 TYR A 58 -7.853 -12.363 4.407 1.00 0.00 C ATOM 962 CE2 TYR A 58 -7.107 -11.103 2.518 1.00 0.00 C ATOM 963 CZ TYR A 58 -7.767 -12.158 3.066 1.00 0.00 C ATOM 964 OH TYR A 58 -8.369 -13.049 2.233 1.00 0.00 O ATOM 0 H TYR A 58 -7.813 -8.021 5.445 1.00 0.00 H new ATOM 0 HA TYR A 58 -7.013 -9.853 7.493 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -5.642 -8.423 5.145 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -4.904 -9.745 6.028 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -7.267 -11.558 6.359 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -5.940 -9.312 2.990 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -8.387 -13.214 4.802 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -7.062 -10.976 1.446 1.00 0.00 H new ATOM 0 HH TYR A 58 -8.226 -12.775 1.303 1.00 0.00 H new ATOM 974 N MET A 59 -5.492 -6.932 7.384 1.00 0.00 N ATOM 975 CA MET A 59 -4.686 -6.009 8.165 1.00 0.00 C ATOM 976 C MET A 59 -5.524 -5.335 9.254 1.00 0.00 C ATOM 977 O MET A 59 -5.005 -4.980 10.311 1.00 0.00 O ATOM 978 CB MET A 59 -4.094 -4.942 7.242 1.00 0.00 C ATOM 979 CG MET A 59 -3.753 -5.530 5.872 1.00 0.00 C ATOM 980 SD MET A 59 -2.922 -7.097 6.070 1.00 0.00 S ATOM 981 CE MET A 59 -1.876 -7.078 4.624 1.00 0.00 C ATOM 0 H MET A 59 -5.751 -6.594 6.457 1.00 0.00 H new ATOM 0 HA MET A 59 -3.885 -6.572 8.645 1.00 0.00 H new ATOM 0 HB2 MET A 59 -4.804 -4.124 7.124 1.00 0.00 H new ATOM 0 HB3 MET A 59 -3.196 -4.522 7.695 1.00 0.00 H new ATOM 0 HG2 MET A 59 -4.663 -5.663 5.287 1.00 0.00 H new ATOM 0 HG3 MET A 59 -3.117 -4.839 5.319 1.00 0.00 H new ATOM 0 HE1 MET A 59 -1.891 -8.060 4.152 1.00 0.00 H new ATOM 0 HE2 MET A 59 -2.242 -6.331 3.920 1.00 0.00 H new ATOM 0 HE3 MET A 59 -0.855 -6.831 4.916 1.00 0.00 H new ATOM 991 N ARG A 60 -6.806 -5.181 8.958 1.00 0.00 N ATOM 992 CA ARG A 60 -7.721 -4.556 9.899 1.00 0.00 C ATOM 993 C ARG A 60 -7.654 -5.263 11.254 1.00 0.00 C ATOM 994 O ARG A 60 -7.692 -4.616 12.299 1.00 0.00 O ATOM 995 CB ARG A 60 -9.159 -4.599 9.379 1.00 0.00 C ATOM 996 CG ARG A 60 -10.133 -4.990 10.493 1.00 0.00 C ATOM 997 CD ARG A 60 -10.122 -3.955 11.619 1.00 0.00 C ATOM 998 NE ARG A 60 -10.085 -4.636 12.932 1.00 0.00 N ATOM 999 CZ ARG A 60 -9.963 -3.999 14.105 1.00 0.00 C ATOM 1000 NH1 ARG A 60 -9.864 -2.663 14.136 1.00 0.00 N ATOM 1001 NH2 ARG A 60 -9.939 -4.699 15.248 1.00 0.00 N ATOM 0 H ARG A 60 -7.233 -5.478 8.081 1.00 0.00 H new ATOM 0 HA ARG A 60 -7.419 -3.515 10.014 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -9.433 -3.624 8.977 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -9.232 -5.314 8.559 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -11.140 -5.079 10.086 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -9.863 -5.968 10.891 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -9.256 -3.301 11.515 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -11.008 -3.324 11.552 1.00 0.00 H new ATOM 0 HE ARG A 60 -10.157 -5.653 12.945 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -9.881 -2.130 13.267 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -9.771 -2.179 15.029 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -10.014 -5.716 15.225 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -9.846 -4.215 16.141 1.00 0.00 H new ATOM 1015 N THR A 61 -7.554 -6.583 11.192 1.00 0.00 N ATOM 1016 CA THR A 61 -7.482 -7.386 12.401 1.00 0.00 C ATOM 1017 C THR A 61 -6.084 -7.297 13.017 1.00 0.00 C ATOM 1018 O THR A 61 -5.944 -7.108 14.224 1.00 0.00 O ATOM 1019 CB THR A 61 -7.900 -8.814 12.047 1.00 0.00 C ATOM 1020 OG1 THR A 61 -7.593 -8.932 10.660 1.00 0.00 O ATOM 1021 CG2 THR A 61 -9.415 -9.014 12.111 1.00 0.00 C ATOM 0 H THR A 61 -7.521 -7.116 10.323 1.00 0.00 H new ATOM 0 HA THR A 61 -8.165 -7.013 13.165 1.00 0.00 H new ATOM 0 HB THR A 61 -7.413 -9.513 12.726 1.00 0.00 H new ATOM 0 HG1 THR A 61 -8.380 -8.689 10.129 1.00 0.00 H new ATOM 0 HG21 THR A 61 -9.657 -10.044 11.851 1.00 0.00 H new ATOM 0 HG22 THR A 61 -9.768 -8.802 13.120 1.00 0.00 H new ATOM 0 HG23 THR A 61 -9.901 -8.338 11.407 1.00 0.00 H new ATOM 1029 N SER A 62 -5.084 -7.436 12.159 1.00 0.00 N ATOM 1030 CA SER A 62 -3.702 -7.374 12.603 1.00 0.00 C ATOM 1031 C SER A 62 -3.441 -6.046 13.316 1.00 0.00 C ATOM 1032 O SER A 62 -2.849 -6.022 14.394 1.00 0.00 O ATOM 1033 CB SER A 62 -2.737 -7.544 11.428 1.00 0.00 C ATOM 1034 OG SER A 62 -2.779 -8.863 10.890 1.00 0.00 O ATOM 0 H SER A 62 -5.204 -7.591 11.158 1.00 0.00 H new ATOM 0 HA SER A 62 -3.530 -8.194 13.300 1.00 0.00 H new ATOM 0 HB2 SER A 62 -2.986 -6.826 10.647 1.00 0.00 H new ATOM 0 HB3 SER A 62 -1.722 -7.318 11.756 1.00 0.00 H new ATOM 0 HG SER A 62 -2.151 -8.931 10.141 1.00 0.00 H new ATOM 1040 N CYS A 63 -3.895 -4.973 12.685 1.00 0.00 N ATOM 1041 CA CYS A 63 -3.718 -3.644 13.246 1.00 0.00 C ATOM 1042 C CYS A 63 -5.085 -2.958 13.298 1.00 0.00 C ATOM 1043 O CYS A 63 -5.882 -3.084 12.369 1.00 0.00 O ATOM 1044 CB CYS A 63 -2.699 -2.826 12.451 1.00 0.00 C ATOM 1045 SG CYS A 63 -1.413 -2.167 13.574 1.00 0.00 S ATOM 0 H CYS A 63 -4.385 -4.997 11.791 1.00 0.00 H new ATOM 0 HA CYS A 63 -3.314 -3.723 14.255 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -2.239 -3.449 11.684 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -3.200 -2.006 11.937 1.00 0.00 H new ATOM 0 HG CYS A 63 -0.551 -1.476 12.889 1.00 0.00 H new ATOM 1051 N PRO A 64 -5.321 -2.230 14.421 1.00 0.00 N ATOM 1052 CA PRO A 64 -6.577 -1.524 14.606 1.00 0.00 C ATOM 1053 C PRO A 64 -6.632 -0.266 13.737 1.00 0.00 C ATOM 1054 O PRO A 64 -7.701 0.122 13.267 1.00 0.00 O ATOM 1055 CB PRO A 64 -6.643 -1.221 16.094 1.00 0.00 C ATOM 1056 CG PRO A 64 -5.220 -1.354 16.610 1.00 0.00 C ATOM 1057 CD PRO A 64 -4.400 -2.059 15.542 1.00 0.00 C ATOM 0 HA PRO A 64 -7.440 -2.113 14.294 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -7.031 -0.218 16.271 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -7.310 -1.915 16.605 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -4.800 -0.372 16.828 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -5.203 -1.921 17.541 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -3.531 -1.467 15.254 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -4.027 -3.019 15.898 1.00 0.00 H new ATOM 1065 N GLN A 65 -5.467 0.337 13.550 1.00 0.00 N ATOM 1066 CA GLN A 65 -5.370 1.543 12.746 1.00 0.00 C ATOM 1067 C GLN A 65 -4.937 1.197 11.320 1.00 0.00 C ATOM 1068 O GLN A 65 -4.564 2.080 10.549 1.00 0.00 O ATOM 1069 CB GLN A 65 -4.408 2.549 13.382 1.00 0.00 C ATOM 1070 CG GLN A 65 -5.175 3.653 14.114 1.00 0.00 C ATOM 1071 CD GLN A 65 -4.460 4.052 15.407 1.00 0.00 C ATOM 1072 OE1 GLN A 65 -3.510 4.818 15.410 1.00 0.00 O ATOM 1073 NE2 GLN A 65 -4.969 3.493 16.501 1.00 0.00 N ATOM 0 H GLN A 65 -4.583 0.013 13.941 1.00 0.00 H new ATOM 0 HA GLN A 65 -6.355 2.008 12.703 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -3.748 2.035 14.081 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -3.775 2.990 12.612 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -5.274 4.523 13.465 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -6.184 3.310 14.343 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -5.766 2.860 16.427 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -4.563 3.697 17.414 1.00 0.00 H new ATOM 1082 N GLY A 66 -5.000 -0.090 11.013 1.00 0.00 N ATOM 1083 CA GLY A 66 -4.620 -0.564 9.693 1.00 0.00 C ATOM 1084 C GLY A 66 -5.471 0.096 8.607 1.00 0.00 C ATOM 1085 O GLY A 66 -4.958 0.476 7.556 1.00 0.00 O ATOM 0 H GLY A 66 -5.309 -0.820 11.656 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -3.566 -0.349 9.515 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -4.737 -1.647 9.644 1.00 0.00 H new ATOM 1089 N PRO A 67 -6.793 0.215 8.906 1.00 0.00 N ATOM 1090 CA PRO A 67 -7.721 0.822 7.967 1.00 0.00 C ATOM 1091 C PRO A 67 -7.554 2.343 7.938 1.00 0.00 C ATOM 1092 O PRO A 67 -7.302 2.924 6.883 1.00 0.00 O ATOM 1093 CB PRO A 67 -9.098 0.384 8.436 1.00 0.00 C ATOM 1094 CG PRO A 67 -8.925 -0.063 9.879 1.00 0.00 C ATOM 1095 CD PRO A 67 -7.436 -0.224 10.141 1.00 0.00 C ATOM 0 HA PRO A 67 -7.547 0.506 6.939 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -9.814 1.203 8.364 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -9.481 -0.429 7.819 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -9.355 0.671 10.560 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -9.447 -1.004 10.053 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -7.116 0.379 10.990 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -7.184 -1.259 10.372 1.00 0.00 H new ATOM 1103 N VAL A 68 -7.703 2.945 9.109 1.00 0.00 N ATOM 1104 CA VAL A 68 -7.573 4.387 9.231 1.00 0.00 C ATOM 1105 C VAL A 68 -6.306 4.844 8.504 1.00 0.00 C ATOM 1106 O VAL A 68 -6.251 5.958 7.987 1.00 0.00 O ATOM 1107 CB VAL A 68 -7.593 4.791 10.707 1.00 0.00 C ATOM 1108 CG1 VAL A 68 -6.588 3.969 11.515 1.00 0.00 C ATOM 1109 CG2 VAL A 68 -7.332 6.290 10.869 1.00 0.00 C ATOM 0 H VAL A 68 -7.913 2.460 9.982 1.00 0.00 H new ATOM 0 HA VAL A 68 -8.418 4.888 8.759 1.00 0.00 H new ATOM 0 HB VAL A 68 -8.588 4.580 11.098 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -6.623 4.277 12.560 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.839 2.911 11.439 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -5.585 4.133 11.122 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -7.352 6.550 11.927 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -6.355 6.536 10.453 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -8.103 6.853 10.343 1.00 0.00 H new ATOM 1119 N SER A 69 -5.320 3.959 8.488 1.00 0.00 N ATOM 1120 CA SER A 69 -4.058 4.257 7.833 1.00 0.00 C ATOM 1121 C SER A 69 -4.265 4.363 6.321 1.00 0.00 C ATOM 1122 O SER A 69 -3.643 5.195 5.662 1.00 0.00 O ATOM 1123 CB SER A 69 -3.007 3.192 8.151 1.00 0.00 C ATOM 1124 OG SER A 69 -2.649 3.190 9.530 1.00 0.00 O ATOM 0 H SER A 69 -5.370 3.035 8.918 1.00 0.00 H new ATOM 0 HA SER A 69 -3.694 5.212 8.211 1.00 0.00 H new ATOM 0 HB2 SER A 69 -3.391 2.210 7.875 1.00 0.00 H new ATOM 0 HB3 SER A 69 -2.118 3.368 7.546 1.00 0.00 H new ATOM 0 HG SER A 69 -3.457 3.099 10.078 1.00 0.00 H new ATOM 1130 N LEU A 70 -5.143 3.509 5.814 1.00 0.00 N ATOM 1131 CA LEU A 70 -5.440 3.496 4.392 1.00 0.00 C ATOM 1132 C LEU A 70 -6.349 4.679 4.055 1.00 0.00 C ATOM 1133 O LEU A 70 -6.038 5.473 3.169 1.00 0.00 O ATOM 1134 CB LEU A 70 -6.015 2.140 3.977 1.00 0.00 C ATOM 1135 CG LEU A 70 -5.400 0.915 4.656 1.00 0.00 C ATOM 1136 CD1 LEU A 70 -6.471 -0.131 4.974 1.00 0.00 C ATOM 1137 CD2 LEU A 70 -4.263 0.333 3.813 1.00 0.00 C ATOM 0 H LEU A 70 -5.658 2.821 6.363 1.00 0.00 H new ATOM 0 HA LEU A 70 -4.526 3.620 3.811 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -7.086 2.144 4.180 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -5.896 2.032 2.899 1.00 0.00 H new ATOM 0 HG LEU A 70 -4.967 1.232 5.605 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -6.007 -0.992 5.456 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -7.215 0.302 5.642 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -6.954 -0.449 4.050 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -3.843 -0.537 4.319 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.649 0.035 2.838 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -3.486 1.086 3.681 1.00 0.00 H new ATOM 1149 N GLN A 71 -7.456 4.759 4.780 1.00 0.00 N ATOM 1150 CA GLN A 71 -8.412 5.832 4.569 1.00 0.00 C ATOM 1151 C GLN A 71 -7.701 7.187 4.575 1.00 0.00 C ATOM 1152 O GLN A 71 -8.052 8.080 3.806 1.00 0.00 O ATOM 1153 CB GLN A 71 -9.523 5.791 5.621 1.00 0.00 C ATOM 1154 CG GLN A 71 -9.865 4.349 6.000 1.00 0.00 C ATOM 1155 CD GLN A 71 -11.344 4.216 6.371 1.00 0.00 C ATOM 1156 OE1 GLN A 71 -11.703 3.783 7.454 1.00 0.00 O ATOM 1157 NE2 GLN A 71 -12.179 4.612 5.414 1.00 0.00 N ATOM 0 H GLN A 71 -7.711 4.098 5.514 1.00 0.00 H new ATOM 0 HA GLN A 71 -8.875 5.692 3.592 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -9.209 6.339 6.509 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -10.412 6.290 5.236 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -9.634 3.686 5.166 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -9.246 4.033 6.840 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -11.811 4.965 4.530 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -13.187 4.563 5.564 1.00 0.00 H new ATOM 1166 N ARG A 72 -6.714 7.297 5.453 1.00 0.00 N ATOM 1167 CA ARG A 72 -5.951 8.528 5.569 1.00 0.00 C ATOM 1168 C ARG A 72 -4.864 8.582 4.494 1.00 0.00 C ATOM 1169 O ARG A 72 -4.322 9.648 4.207 1.00 0.00 O ATOM 1170 CB ARG A 72 -5.300 8.644 6.949 1.00 0.00 C ATOM 1171 CG ARG A 72 -6.348 8.549 8.060 1.00 0.00 C ATOM 1172 CD ARG A 72 -6.879 9.935 8.432 1.00 0.00 C ATOM 1173 NE ARG A 72 -6.797 10.132 9.896 1.00 0.00 N ATOM 1174 CZ ARG A 72 -7.691 9.651 10.770 1.00 0.00 C ATOM 1175 NH1 ARG A 72 -8.741 8.942 10.333 1.00 0.00 N ATOM 1176 NH2 ARG A 72 -7.536 9.879 12.082 1.00 0.00 N ATOM 0 H ARG A 72 -6.426 6.554 6.090 1.00 0.00 H new ATOM 0 HA ARG A 72 -6.642 9.360 5.434 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -4.560 7.853 7.074 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -4.769 9.593 7.026 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -7.173 7.915 7.734 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -5.910 8.075 8.939 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -6.301 10.704 7.920 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -7.912 10.039 8.100 1.00 0.00 H new ATOM 0 HE ARG A 72 -6.010 10.668 10.263 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -8.859 8.769 9.335 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -9.422 8.576 10.999 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -6.737 10.419 12.415 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -8.217 9.513 12.747 1.00 0.00 H new ATOM 1190 N GLN A 73 -4.577 7.418 3.928 1.00 0.00 N ATOM 1191 CA GLN A 73 -3.565 7.320 2.891 1.00 0.00 C ATOM 1192 C GLN A 73 -3.995 8.108 1.652 1.00 0.00 C ATOM 1193 O GLN A 73 -3.159 8.680 0.954 1.00 0.00 O ATOM 1194 CB GLN A 73 -3.280 5.858 2.540 1.00 0.00 C ATOM 1195 CG GLN A 73 -4.233 5.361 1.451 1.00 0.00 C ATOM 1196 CD GLN A 73 -3.528 5.292 0.095 1.00 0.00 C ATOM 1197 OE1 GLN A 73 -2.337 5.527 -0.027 1.00 0.00 O ATOM 1198 NE2 GLN A 73 -4.328 4.958 -0.914 1.00 0.00 N ATOM 0 H GLN A 73 -5.028 6.535 4.169 1.00 0.00 H new ATOM 0 HA GLN A 73 -2.641 7.755 3.271 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -2.249 5.756 2.201 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -3.385 5.239 3.431 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -4.613 4.375 1.718 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -5.093 6.027 1.384 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -5.316 4.774 -0.742 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -3.953 4.885 -1.860 1.00 0.00 H new ATOM 1207 N ILE A 74 -5.299 8.113 1.417 1.00 0.00 N ATOM 1208 CA ILE A 74 -5.851 8.821 0.275 1.00 0.00 C ATOM 1209 C ILE A 74 -6.061 10.291 0.644 1.00 0.00 C ATOM 1210 O ILE A 74 -6.460 10.602 1.766 1.00 0.00 O ATOM 1211 CB ILE A 74 -7.118 8.126 -0.226 1.00 0.00 C ATOM 1212 CG1 ILE A 74 -7.047 7.876 -1.734 1.00 0.00 C ATOM 1213 CG2 ILE A 74 -8.368 8.916 0.165 1.00 0.00 C ATOM 1214 CD1 ILE A 74 -8.072 8.731 -2.481 1.00 0.00 C ATOM 0 H ILE A 74 -5.989 7.638 1.998 1.00 0.00 H new ATOM 0 HA ILE A 74 -5.152 8.798 -0.561 1.00 0.00 H new ATOM 0 HB ILE A 74 -7.187 7.152 0.259 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -6.045 8.104 -2.097 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -7.229 6.821 -1.940 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -9.255 8.400 -0.203 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -8.421 8.999 1.251 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -8.320 9.913 -0.273 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -8.000 8.534 -3.551 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -9.075 8.484 -2.133 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -7.873 9.786 -2.292 1.00 0.00 H new ATOM 1226 N PRO A 75 -5.776 11.179 -0.345 1.00 0.00 N ATOM 1227 CA PRO A 75 -5.929 12.609 -0.135 1.00 0.00 C ATOM 1228 C PRO A 75 -7.406 13.010 -0.153 1.00 0.00 C ATOM 1229 O PRO A 75 -7.822 13.821 -0.979 1.00 0.00 O ATOM 1230 CB PRO A 75 -5.123 13.259 -1.248 1.00 0.00 C ATOM 1231 CG PRO A 75 -4.933 12.185 -2.307 1.00 0.00 C ATOM 1232 CD PRO A 75 -5.301 10.847 -1.686 1.00 0.00 C ATOM 0 HA PRO A 75 -5.567 12.932 0.841 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -5.648 14.122 -1.657 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -4.162 13.616 -0.877 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -5.561 12.389 -3.174 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -3.901 12.172 -2.657 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -6.073 10.340 -2.265 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -4.441 10.178 -1.647 1.00 0.00 H new ATOM 1240 N LYS A 76 -8.157 12.423 0.767 1.00 0.00 N ATOM 1241 CA LYS A 76 -9.578 12.709 0.867 1.00 0.00 C ATOM 1242 C LYS A 76 -10.188 11.858 1.983 1.00 0.00 C ATOM 1243 O LYS A 76 -11.314 11.380 1.858 1.00 0.00 O ATOM 1244 CB LYS A 76 -10.259 12.524 -0.490 1.00 0.00 C ATOM 1245 CG LYS A 76 -11.220 13.678 -0.783 1.00 0.00 C ATOM 1246 CD LYS A 76 -10.542 14.754 -1.633 1.00 0.00 C ATOM 1247 CE LYS A 76 -11.500 15.912 -1.918 1.00 0.00 C ATOM 1248 NZ LYS A 76 -11.441 16.293 -3.347 1.00 0.00 N ATOM 0 H LYS A 76 -7.808 11.751 1.450 1.00 0.00 H new ATOM 0 HA LYS A 76 -9.738 13.753 1.138 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -9.505 12.466 -1.275 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -10.804 11.580 -0.502 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -12.100 13.300 -1.303 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -11.566 14.114 0.154 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -9.658 15.127 -1.116 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -10.202 14.319 -2.573 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -12.517 15.624 -1.654 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -11.240 16.769 -1.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -12.059 17.113 -3.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -10.463 16.539 -3.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -11.760 15.495 -3.933 1.00 0.00 H new ATOM 1262 N LEU A 77 -9.416 11.695 3.048 1.00 0.00 N ATOM 1263 CA LEU A 77 -9.867 10.909 4.184 1.00 0.00 C ATOM 1264 C LEU A 77 -11.316 11.277 4.511 1.00 0.00 C ATOM 1265 O LEU A 77 -12.205 10.429 4.445 1.00 0.00 O ATOM 1266 CB LEU A 77 -8.909 11.077 5.365 1.00 0.00 C ATOM 1267 CG LEU A 77 -7.767 12.076 5.166 1.00 0.00 C ATOM 1268 CD1 LEU A 77 -7.210 12.548 6.510 1.00 0.00 C ATOM 1269 CD2 LEU A 77 -6.676 11.490 4.267 1.00 0.00 C ATOM 0 H LEU A 77 -8.482 12.093 3.148 1.00 0.00 H new ATOM 0 HA LEU A 77 -9.855 9.847 3.941 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -9.488 11.386 6.236 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -8.477 10.104 5.598 1.00 0.00 H new ATOM 0 HG LEU A 77 -8.166 12.954 4.658 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -6.400 13.257 6.339 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -8.001 13.032 7.082 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -6.831 11.692 7.068 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -5.877 12.220 4.142 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -6.274 10.586 4.725 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -7.100 11.245 3.293 1.00 0.00 H new ATOM 1281 N ASP A 78 -11.509 12.541 4.855 1.00 0.00 N ATOM 1282 CA ASP A 78 -12.834 13.031 5.191 1.00 0.00 C ATOM 1283 C ASP A 78 -13.857 12.427 4.227 1.00 0.00 C ATOM 1284 O ASP A 78 -15.030 12.286 4.569 1.00 0.00 O ATOM 1285 CB ASP A 78 -12.907 14.554 5.065 1.00 0.00 C ATOM 1286 CG ASP A 78 -14.277 15.164 5.370 1.00 0.00 C ATOM 1287 OD1 ASP A 78 -15.206 14.898 4.578 1.00 0.00 O ATOM 1288 OD2 ASP A 78 -14.364 15.882 6.390 1.00 0.00 O ATOM 0 H ASP A 78 -10.769 13.241 4.908 1.00 0.00 H new ATOM 0 HA ASP A 78 -13.048 12.744 6.221 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -12.172 14.995 5.738 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -12.619 14.834 4.052 1.00 0.00 H new ATOM 1293 N SER A 79 -13.375 12.087 3.041 1.00 0.00 N ATOM 1294 CA SER A 79 -14.232 11.501 2.024 1.00 0.00 C ATOM 1295 C SER A 79 -14.294 9.983 2.203 1.00 0.00 C ATOM 1296 O SER A 79 -15.372 9.418 2.380 1.00 0.00 O ATOM 1297 CB SER A 79 -13.739 11.850 0.619 1.00 0.00 C ATOM 1298 OG SER A 79 -13.469 10.686 -0.157 1.00 0.00 O ATOM 0 H SER A 79 -12.401 12.206 2.761 1.00 0.00 H new ATOM 0 HA SER A 79 -15.233 11.916 2.141 1.00 0.00 H new ATOM 0 HB2 SER A 79 -14.489 12.457 0.112 1.00 0.00 H new ATOM 0 HB3 SER A 79 -12.835 12.455 0.692 1.00 0.00 H new ATOM 0 HG SER A 79 -13.158 10.951 -1.048 1.00 0.00 H new ATOM 1304 N VAL A 80 -13.123 9.365 2.151 1.00 0.00 N ATOM 1305 CA VAL A 80 -13.030 7.923 2.305 1.00 0.00 C ATOM 1306 C VAL A 80 -13.071 7.570 3.794 1.00 0.00 C ATOM 1307 O VAL A 80 -13.752 6.627 4.193 1.00 0.00 O ATOM 1308 CB VAL A 80 -11.776 7.401 1.601 1.00 0.00 C ATOM 1309 CG1 VAL A 80 -10.510 7.836 2.342 1.00 0.00 C ATOM 1310 CG2 VAL A 80 -11.826 5.880 1.448 1.00 0.00 C ATOM 0 H VAL A 80 -12.231 9.837 2.004 1.00 0.00 H new ATOM 0 HA VAL A 80 -13.880 7.433 1.831 1.00 0.00 H new ATOM 0 HB VAL A 80 -11.747 7.837 0.603 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -9.633 7.452 1.821 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -10.464 8.925 2.376 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -10.530 7.442 3.358 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -10.923 5.535 0.945 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -11.892 5.417 2.433 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -12.699 5.602 0.858 1.00 0.00 H new ATOM 1320 N LEU A 81 -12.333 8.346 4.574 1.00 0.00 N ATOM 1321 CA LEU A 81 -12.276 8.127 6.009 1.00 0.00 C ATOM 1322 C LEU A 81 -13.695 8.161 6.582 1.00 0.00 C ATOM 1323 O LEU A 81 -13.895 7.900 7.767 1.00 0.00 O ATOM 1324 CB LEU A 81 -11.323 9.128 6.666 1.00 0.00 C ATOM 1325 CG LEU A 81 -11.885 9.905 7.859 1.00 0.00 C ATOM 1326 CD1 LEU A 81 -11.721 9.112 9.157 1.00 0.00 C ATOM 1327 CD2 LEU A 81 -11.254 11.295 7.953 1.00 0.00 C ATOM 0 H LEU A 81 -11.769 9.127 4.239 1.00 0.00 H new ATOM 0 HA LEU A 81 -11.866 7.141 6.229 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -10.433 8.591 6.994 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -11.002 9.844 5.910 1.00 0.00 H new ATOM 0 HG LEU A 81 -12.954 10.046 7.702 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -12.128 9.687 9.989 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -12.254 8.165 9.075 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -10.663 8.918 9.334 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -11.670 11.826 8.809 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -10.175 11.197 8.076 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -11.466 11.853 7.041 1.00 0.00 H new ATOM 1339 N LYS A 82 -14.642 8.484 5.714 1.00 0.00 N ATOM 1340 CA LYS A 82 -16.035 8.556 6.119 1.00 0.00 C ATOM 1341 C LYS A 82 -16.881 7.702 5.173 1.00 0.00 C ATOM 1342 O LYS A 82 -16.976 6.487 5.344 1.00 0.00 O ATOM 1343 CB LYS A 82 -16.494 10.013 6.208 1.00 0.00 C ATOM 1344 CG LYS A 82 -16.351 10.546 7.635 1.00 0.00 C ATOM 1345 CD LYS A 82 -15.209 11.560 7.729 1.00 0.00 C ATOM 1346 CE LYS A 82 -15.750 12.987 7.840 1.00 0.00 C ATOM 1347 NZ LYS A 82 -14.963 13.765 8.824 1.00 0.00 N ATOM 0 H LYS A 82 -14.472 8.699 4.732 1.00 0.00 H new ATOM 0 HA LYS A 82 -16.162 8.145 7.121 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -15.905 10.626 5.526 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -17.533 10.091 5.889 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -17.284 11.014 7.948 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -16.165 9.718 8.319 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -14.588 11.334 8.596 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -14.571 11.477 6.849 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -15.709 13.474 6.866 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -16.797 12.963 8.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -15.343 14.731 8.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -15.023 13.308 9.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -13.969 13.804 8.521 1.00 0.00 H new ATOM 1361 N TYR A 83 -17.475 8.370 4.195 1.00 0.00 N ATOM 1362 CA TYR A 83 -18.310 7.687 3.221 1.00 0.00 C ATOM 1363 C TYR A 83 -18.655 8.611 2.051 1.00 0.00 C ATOM 1364 O TYR A 83 -19.480 8.267 1.206 1.00 0.00 O ATOM 1365 CB TYR A 83 -19.597 7.314 3.958 1.00 0.00 C ATOM 1366 CG TYR A 83 -19.540 5.956 4.661 1.00 0.00 C ATOM 1367 CD1 TYR A 83 -19.343 4.806 3.926 1.00 0.00 C ATOM 1368 CD2 TYR A 83 -19.687 5.883 6.032 1.00 0.00 C ATOM 1369 CE1 TYR A 83 -19.289 3.528 4.588 1.00 0.00 C ATOM 1370 CE2 TYR A 83 -19.633 4.605 6.694 1.00 0.00 C ATOM 1371 CZ TYR A 83 -19.437 3.491 5.939 1.00 0.00 C ATOM 1372 OH TYR A 83 -19.386 2.284 6.565 1.00 0.00 O ATOM 0 H TYR A 83 -17.395 9.377 4.056 1.00 0.00 H new ATOM 0 HA TYR A 83 -17.794 6.817 2.815 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -19.817 8.085 4.696 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -20.423 7.309 3.246 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -19.229 4.864 2.854 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -19.842 6.784 6.608 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -19.134 2.620 4.024 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -19.746 4.533 7.766 1.00 0.00 H new ATOM 0 HH TYR A 83 -19.506 2.410 7.529 1.00 0.00 H new ATOM 1382 N LYS A 84 -18.006 9.766 2.040 1.00 0.00 N ATOM 1383 CA LYS A 84 -18.234 10.742 0.988 1.00 0.00 C ATOM 1384 C LYS A 84 -17.990 10.086 -0.373 1.00 0.00 C ATOM 1385 O LYS A 84 -18.142 8.874 -0.517 1.00 0.00 O ATOM 1386 CB LYS A 84 -17.389 11.995 1.226 1.00 0.00 C ATOM 1387 CG LYS A 84 -18.161 13.259 0.843 1.00 0.00 C ATOM 1388 CD LYS A 84 -17.320 14.512 1.092 1.00 0.00 C ATOM 1389 CE LYS A 84 -16.724 15.041 -0.214 1.00 0.00 C ATOM 1390 NZ LYS A 84 -17.728 15.834 -0.958 1.00 0.00 N ATOM 0 H LYS A 84 -17.322 10.048 2.743 1.00 0.00 H new ATOM 0 HA LYS A 84 -19.271 11.078 1.000 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -17.097 12.047 2.275 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -16.471 11.935 0.642 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -18.446 13.211 -0.208 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -19.083 13.315 1.421 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -17.937 15.283 1.553 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -16.519 14.283 1.795 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -15.851 15.658 0.001 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -16.382 14.208 -0.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -17.769 15.505 -1.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -18.661 15.716 -0.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -17.460 16.839 -0.939 1.00 0.00 H new ATOM 1404 N HIS A 85 -17.616 10.915 -1.336 1.00 0.00 N ATOM 1405 CA HIS A 85 -17.350 10.431 -2.679 1.00 0.00 C ATOM 1406 C HIS A 85 -16.678 9.058 -2.606 1.00 0.00 C ATOM 1407 O HIS A 85 -16.663 8.317 -3.587 1.00 0.00 O ATOM 1408 CB HIS A 85 -16.530 11.451 -3.472 1.00 0.00 C ATOM 1409 CG HIS A 85 -17.260 12.744 -3.747 1.00 0.00 C ATOM 1410 ND1 HIS A 85 -18.626 12.804 -3.958 1.00 0.00 N ATOM 1411 CD2 HIS A 85 -16.799 14.024 -3.841 1.00 0.00 C ATOM 1412 CE1 HIS A 85 -18.961 14.069 -4.170 1.00 0.00 C ATOM 1413 NE2 HIS A 85 -17.827 14.823 -4.098 1.00 0.00 N ATOM 0 H HIS A 85 -17.491 11.920 -1.212 1.00 0.00 H new ATOM 0 HA HIS A 85 -18.289 10.309 -3.218 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -15.615 11.672 -2.923 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -16.233 11.004 -4.421 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -15.771 14.335 -3.726 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -19.957 14.438 -4.365 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -17.777 15.834 -4.221 1.00 0.00 H new ATOM 1421 N THR A 86 -16.138 8.761 -1.433 1.00 0.00 N ATOM 1422 CA THR A 86 -15.465 7.491 -1.219 1.00 0.00 C ATOM 1423 C THR A 86 -16.382 6.330 -1.608 1.00 0.00 C ATOM 1424 O THR A 86 -15.920 5.206 -1.798 1.00 0.00 O ATOM 1425 CB THR A 86 -15.006 7.440 0.240 1.00 0.00 C ATOM 1426 OG1 THR A 86 -14.067 6.368 0.270 1.00 0.00 O ATOM 1427 CG2 THR A 86 -16.118 6.987 1.188 1.00 0.00 C ATOM 0 H THR A 86 -16.153 9.378 -0.621 1.00 0.00 H new ATOM 0 HA THR A 86 -14.585 7.397 -1.856 1.00 0.00 H new ATOM 0 HB THR A 86 -14.649 8.424 0.543 1.00 0.00 H new ATOM 0 HG1 THR A 86 -14.491 5.573 0.656 1.00 0.00 H new ATOM 0 HG21 THR A 86 -15.740 6.968 2.210 1.00 0.00 H new ATOM 0 HG22 THR A 86 -16.956 7.681 1.124 1.00 0.00 H new ATOM 0 HG23 THR A 86 -16.452 5.988 0.906 1.00 0.00 H new ATOM 1435 N ASP A 87 -17.665 6.642 -1.717 1.00 0.00 N ATOM 1436 CA ASP A 87 -18.651 5.639 -2.081 1.00 0.00 C ATOM 1437 C ASP A 87 -18.006 4.610 -3.012 1.00 0.00 C ATOM 1438 O ASP A 87 -16.848 4.239 -2.826 1.00 0.00 O ATOM 1439 CB ASP A 87 -19.833 6.270 -2.821 1.00 0.00 C ATOM 1440 CG ASP A 87 -20.192 7.688 -2.373 1.00 0.00 C ATOM 1441 OD1 ASP A 87 -20.799 7.804 -1.286 1.00 0.00 O ATOM 1442 OD2 ASP A 87 -19.853 8.625 -3.128 1.00 0.00 O ATOM 0 H ASP A 87 -18.045 7.576 -1.560 1.00 0.00 H new ATOM 0 HA ASP A 87 -19.008 5.170 -1.164 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -19.607 6.288 -3.887 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -20.707 5.632 -2.691 1.00 0.00 H new ATOM 1447 N PRO A 88 -18.804 4.167 -4.020 1.00 0.00 N ATOM 1448 CA PRO A 88 -18.323 3.188 -4.980 1.00 0.00 C ATOM 1449 C PRO A 88 -17.359 3.829 -5.980 1.00 0.00 C ATOM 1450 O PRO A 88 -17.120 3.283 -7.056 1.00 0.00 O ATOM 1451 CB PRO A 88 -19.576 2.632 -5.636 1.00 0.00 C ATOM 1452 CG PRO A 88 -20.677 3.643 -5.357 1.00 0.00 C ATOM 1453 CD PRO A 88 -20.181 4.583 -4.271 1.00 0.00 C ATOM 0 HA PRO A 88 -17.746 2.390 -4.514 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -19.430 2.500 -6.708 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -19.830 1.655 -5.226 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -20.922 4.200 -6.261 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -21.588 3.137 -5.037 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -20.228 5.622 -4.596 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -20.789 4.503 -3.370 1.00 0.00 H new ATOM 1461 N THR A 89 -16.830 4.979 -5.589 1.00 0.00 N ATOM 1462 CA THR A 89 -15.896 5.700 -6.437 1.00 0.00 C ATOM 1463 C THR A 89 -14.497 5.091 -6.329 1.00 0.00 C ATOM 1464 O THR A 89 -13.859 4.810 -7.343 1.00 0.00 O ATOM 1465 CB THR A 89 -15.947 7.178 -6.045 1.00 0.00 C ATOM 1466 OG1 THR A 89 -15.602 7.867 -7.244 1.00 0.00 O ATOM 1467 CG2 THR A 89 -14.838 7.562 -5.064 1.00 0.00 C ATOM 0 H THR A 89 -17.030 5.429 -4.696 1.00 0.00 H new ATOM 0 HA THR A 89 -16.171 5.617 -7.488 1.00 0.00 H new ATOM 0 HB THR A 89 -16.917 7.403 -5.603 1.00 0.00 H new ATOM 0 HG1 THR A 89 -14.739 7.539 -7.573 1.00 0.00 H new ATOM 0 HG21 THR A 89 -14.920 8.621 -4.819 1.00 0.00 H new ATOM 0 HG22 THR A 89 -14.936 6.970 -4.154 1.00 0.00 H new ATOM 0 HG23 THR A 89 -13.867 7.369 -5.519 1.00 0.00 H new ATOM 1475 N PHE A 90 -14.061 4.904 -5.092 1.00 0.00 N ATOM 1476 CA PHE A 90 -12.749 4.333 -4.839 1.00 0.00 C ATOM 1477 C PHE A 90 -12.860 2.858 -4.448 1.00 0.00 C ATOM 1478 O PHE A 90 -11.937 2.079 -4.682 1.00 0.00 O ATOM 1479 CB PHE A 90 -12.139 5.113 -3.673 1.00 0.00 C ATOM 1480 CG PHE A 90 -11.333 6.341 -4.100 1.00 0.00 C ATOM 1481 CD1 PHE A 90 -10.257 6.197 -4.919 1.00 0.00 C ATOM 1482 CD2 PHE A 90 -11.694 7.577 -3.662 1.00 0.00 C ATOM 1483 CE1 PHE A 90 -9.509 7.337 -5.315 1.00 0.00 C ATOM 1484 CE2 PHE A 90 -10.946 8.717 -4.058 1.00 0.00 C ATOM 1485 CZ PHE A 90 -9.869 8.573 -4.877 1.00 0.00 C ATOM 0 H PHE A 90 -14.593 5.138 -4.254 1.00 0.00 H new ATOM 0 HA PHE A 90 -12.135 4.398 -5.737 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -12.939 5.431 -3.004 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -11.492 4.447 -3.103 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -9.971 5.216 -5.268 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -12.550 7.691 -3.013 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -8.654 7.222 -5.964 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -11.232 9.698 -3.709 1.00 0.00 H new ATOM 0 HZ PHE A 90 -9.300 9.440 -5.179 1.00 0.00 H new ATOM 1495 N GLY A 91 -13.997 2.518 -3.859 1.00 0.00 N ATOM 1496 CA GLY A 91 -14.240 1.151 -3.433 1.00 0.00 C ATOM 1497 C GLY A 91 -13.819 0.156 -4.516 1.00 0.00 C ATOM 1498 O GLY A 91 -13.434 0.555 -5.614 1.00 0.00 O ATOM 0 H GLY A 91 -14.761 3.166 -3.667 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -13.689 0.949 -2.515 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -15.298 1.020 -3.205 1.00 0.00 H new ATOM 1502 N MET A 92 -13.907 -1.120 -4.170 1.00 0.00 N ATOM 1503 CA MET A 92 -13.539 -2.175 -5.099 1.00 0.00 C ATOM 1504 C MET A 92 -12.330 -1.766 -5.943 1.00 0.00 C ATOM 1505 O MET A 92 -11.208 -2.192 -5.674 1.00 0.00 O ATOM 1506 CB MET A 92 -14.724 -2.481 -6.018 1.00 0.00 C ATOM 1507 CG MET A 92 -15.890 -1.530 -5.744 1.00 0.00 C ATOM 1508 SD MET A 92 -15.977 -0.286 -7.022 1.00 0.00 S ATOM 1509 CE MET A 92 -16.239 1.169 -6.021 1.00 0.00 C ATOM 0 H MET A 92 -14.228 -1.447 -3.259 1.00 0.00 H new ATOM 0 HA MET A 92 -13.273 -3.063 -4.525 1.00 0.00 H new ATOM 0 HB2 MET A 92 -14.414 -2.391 -7.059 1.00 0.00 H new ATOM 0 HB3 MET A 92 -15.048 -3.511 -5.869 1.00 0.00 H new ATOM 0 HG2 MET A 92 -16.825 -2.089 -5.705 1.00 0.00 H new ATOM 0 HG3 MET A 92 -15.762 -1.055 -4.771 1.00 0.00 H new ATOM 0 HE1 MET A 92 -17.148 1.675 -6.345 1.00 0.00 H new ATOM 0 HE2 MET A 92 -16.339 0.878 -4.975 1.00 0.00 H new ATOM 0 HE3 MET A 92 -15.390 1.844 -6.130 1.00 0.00 H new ATOM 1519 N ASP A 93 -12.600 -0.944 -6.947 1.00 0.00 N ATOM 1520 CA ASP A 93 -11.548 -0.473 -7.831 1.00 0.00 C ATOM 1521 C ASP A 93 -11.346 1.029 -7.621 1.00 0.00 C ATOM 1522 O ASP A 93 -12.136 1.839 -8.103 1.00 0.00 O ATOM 1523 CB ASP A 93 -11.920 -0.699 -9.298 1.00 0.00 C ATOM 1524 CG ASP A 93 -11.652 -2.110 -9.823 1.00 0.00 C ATOM 1525 OD1 ASP A 93 -12.254 -3.050 -9.259 1.00 0.00 O ATOM 1526 OD2 ASP A 93 -10.852 -2.219 -10.777 1.00 0.00 O ATOM 0 H ASP A 93 -13.532 -0.593 -7.167 1.00 0.00 H new ATOM 0 HA ASP A 93 -10.639 -1.028 -7.599 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -12.979 -0.475 -9.427 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -11.366 0.012 -9.911 1.00 0.00 H new ATOM 1531 N LEU A 94 -10.282 1.355 -6.901 1.00 0.00 N ATOM 1532 CA LEU A 94 -9.966 2.745 -6.621 1.00 0.00 C ATOM 1533 C LEU A 94 -9.196 3.337 -7.804 1.00 0.00 C ATOM 1534 O LEU A 94 -9.294 4.532 -8.077 1.00 0.00 O ATOM 1535 CB LEU A 94 -9.230 2.869 -5.285 1.00 0.00 C ATOM 1536 CG LEU A 94 -7.938 3.688 -5.304 1.00 0.00 C ATOM 1537 CD1 LEU A 94 -7.934 4.730 -4.183 1.00 0.00 C ATOM 1538 CD2 LEU A 94 -6.710 2.778 -5.246 1.00 0.00 C ATOM 0 H LEU A 94 -9.628 0.680 -6.503 1.00 0.00 H new ATOM 0 HA LEU A 94 -10.880 3.328 -6.511 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -9.909 3.316 -4.559 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -8.996 1.866 -4.928 1.00 0.00 H new ATOM 0 HG LEU A 94 -7.891 4.230 -6.248 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -7.005 5.299 -4.218 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -8.779 5.407 -4.312 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -8.015 4.228 -3.219 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -5.806 3.386 -5.261 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -6.736 2.189 -4.329 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -6.712 2.109 -6.107 1.00 0.00 H new ATOM 1550 N GLN A 95 -8.448 2.473 -8.474 1.00 0.00 N ATOM 1551 CA GLN A 95 -7.663 2.895 -9.621 1.00 0.00 C ATOM 1552 C GLN A 95 -8.500 3.789 -10.537 1.00 0.00 C ATOM 1553 O GLN A 95 -7.958 4.630 -11.253 1.00 0.00 O ATOM 1554 CB GLN A 95 -7.115 1.687 -10.384 1.00 0.00 C ATOM 1555 CG GLN A 95 -5.802 2.035 -11.090 1.00 0.00 C ATOM 1556 CD GLN A 95 -6.016 3.132 -12.135 1.00 0.00 C ATOM 1557 OE1 GLN A 95 -5.379 4.173 -12.119 1.00 0.00 O ATOM 1558 NE2 GLN A 95 -6.944 2.842 -13.042 1.00 0.00 N ATOM 0 H GLN A 95 -8.369 1.482 -8.244 1.00 0.00 H new ATOM 0 HA GLN A 95 -6.812 3.473 -9.262 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -6.953 0.859 -9.694 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -7.849 1.352 -11.117 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -5.067 2.365 -10.356 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -5.396 1.145 -11.570 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -7.440 1.952 -12.997 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -7.160 3.510 -13.782 1.00 0.00 H new ATOM 1567 N LYS A 96 -9.807 3.577 -10.485 1.00 0.00 N ATOM 1568 CA LYS A 96 -10.724 4.354 -11.302 1.00 0.00 C ATOM 1569 C LYS A 96 -10.698 5.813 -10.843 1.00 0.00 C ATOM 1570 O LYS A 96 -10.878 6.725 -11.649 1.00 0.00 O ATOM 1571 CB LYS A 96 -12.119 3.728 -11.283 1.00 0.00 C ATOM 1572 CG LYS A 96 -12.038 2.203 -11.388 1.00 0.00 C ATOM 1573 CD LYS A 96 -11.047 1.780 -12.473 1.00 0.00 C ATOM 1574 CE LYS A 96 -11.609 2.059 -13.869 1.00 0.00 C ATOM 1575 NZ LYS A 96 -12.552 0.991 -14.270 1.00 0.00 N ATOM 0 H LYS A 96 -10.253 2.879 -9.890 1.00 0.00 H new ATOM 0 HA LYS A 96 -10.409 4.342 -12.345 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -12.634 4.006 -10.363 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -12.710 4.122 -12.110 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -11.733 1.785 -10.429 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -13.024 1.798 -11.613 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -10.107 2.317 -12.341 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -10.824 0.718 -12.373 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -12.117 3.023 -13.877 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -10.794 2.122 -14.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -12.924 1.195 -15.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -12.056 0.077 -14.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -13.339 0.950 -13.591 1.00 0.00 H new ATOM 1589 N CYS A 97 -10.473 5.989 -9.549 1.00 0.00 N ATOM 1590 CA CYS A 97 -10.422 7.322 -8.973 1.00 0.00 C ATOM 1591 C CYS A 97 -8.956 7.746 -8.873 1.00 0.00 C ATOM 1592 O CYS A 97 -8.591 8.839 -9.305 1.00 0.00 O ATOM 1593 CB CYS A 97 -11.126 7.379 -7.615 1.00 0.00 C ATOM 1594 SG CYS A 97 -12.932 7.549 -7.854 1.00 0.00 S ATOM 0 H CYS A 97 -10.324 5.231 -8.883 1.00 0.00 H new ATOM 0 HA CYS A 97 -10.958 8.020 -9.616 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -10.910 6.475 -7.046 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -10.747 8.220 -7.034 1.00 0.00 H new ATOM 0 HG CYS A 97 -13.454 6.377 -8.062 1.00 0.00 H new ATOM 1600 N VAL A 98 -8.154 6.860 -8.302 1.00 0.00 N ATOM 1601 CA VAL A 98 -6.735 7.129 -8.140 1.00 0.00 C ATOM 1602 C VAL A 98 -6.116 7.420 -9.509 1.00 0.00 C ATOM 1603 O VAL A 98 -5.189 8.221 -9.618 1.00 0.00 O ATOM 1604 CB VAL A 98 -6.060 5.962 -7.415 1.00 0.00 C ATOM 1605 CG1 VAL A 98 -4.696 5.649 -8.032 1.00 0.00 C ATOM 1606 CG2 VAL A 98 -5.933 6.248 -5.918 1.00 0.00 C ATOM 0 H VAL A 98 -8.460 5.955 -7.945 1.00 0.00 H new ATOM 0 HA VAL A 98 -6.582 8.012 -7.519 1.00 0.00 H new ATOM 0 HB VAL A 98 -6.691 5.082 -7.535 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -4.238 4.816 -7.498 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -4.824 5.382 -9.081 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -4.053 6.526 -7.957 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -5.450 5.404 -5.426 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -5.334 7.146 -5.769 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -6.924 6.398 -5.491 1.00 0.00 H new ATOM 1616 N GLN A 99 -6.655 6.753 -10.520 1.00 0.00 N ATOM 1617 CA GLN A 99 -6.167 6.930 -11.877 1.00 0.00 C ATOM 1618 C GLN A 99 -5.885 8.409 -12.152 1.00 0.00 C ATOM 1619 O GLN A 99 -5.076 8.740 -13.016 1.00 0.00 O ATOM 1620 CB GLN A 99 -7.159 6.363 -12.894 1.00 0.00 C ATOM 1621 CG GLN A 99 -8.602 6.648 -12.471 1.00 0.00 C ATOM 1622 CD GLN A 99 -9.177 7.834 -13.250 1.00 0.00 C ATOM 1623 OE1 GLN A 99 -8.858 8.985 -13.003 1.00 0.00 O ATOM 1624 NE2 GLN A 99 -10.041 7.488 -14.200 1.00 0.00 N ATOM 0 H GLN A 99 -7.424 6.090 -10.426 1.00 0.00 H new ATOM 0 HA GLN A 99 -5.233 6.377 -11.981 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -6.970 6.801 -13.874 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -7.011 5.288 -12.991 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -9.216 5.764 -12.642 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -8.637 6.859 -11.402 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -10.263 6.504 -14.354 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -10.481 8.206 -14.775 1.00 0.00 H new ATOM 1633 N ARG A 100 -6.570 9.258 -11.399 1.00 0.00 N ATOM 1634 CA ARG A 100 -6.403 10.694 -11.550 1.00 0.00 C ATOM 1635 C ARG A 100 -7.704 11.419 -11.199 1.00 0.00 C ATOM 1636 O ARG A 100 -7.703 12.628 -10.973 1.00 0.00 O ATOM 1637 CB ARG A 100 -5.997 11.054 -12.981 1.00 0.00 C ATOM 1638 CG ARG A 100 -6.231 12.540 -13.260 1.00 0.00 C ATOM 1639 CD ARG A 100 -7.646 12.782 -13.790 1.00 0.00 C ATOM 1640 NE ARG A 100 -7.587 13.534 -15.063 1.00 0.00 N ATOM 1641 CZ ARG A 100 -7.424 14.861 -15.145 1.00 0.00 C ATOM 1642 NH1 ARG A 100 -7.303 15.591 -14.028 1.00 0.00 N ATOM 1643 NH2 ARG A 100 -7.383 15.459 -16.344 1.00 0.00 N ATOM 0 H ARG A 100 -7.241 8.979 -10.683 1.00 0.00 H new ATOM 0 HA ARG A 100 -5.612 11.009 -10.870 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -4.945 10.812 -13.136 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -6.570 10.453 -13.687 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -6.078 13.114 -12.346 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -5.501 12.897 -13.986 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -8.154 11.830 -13.944 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -8.228 13.339 -13.056 1.00 0.00 H new ATOM 0 HE ARG A 100 -7.676 13.009 -15.933 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -7.335 15.136 -13.116 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -7.179 16.602 -14.090 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -7.476 14.904 -17.194 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -7.259 16.470 -16.406 1.00 0.00 H new ATOM 1657 N GLY A 101 -8.782 10.649 -11.163 1.00 0.00 N ATOM 1658 CA GLY A 101 -10.086 11.203 -10.843 1.00 0.00 C ATOM 1659 C GLY A 101 -10.066 11.902 -9.482 1.00 0.00 C ATOM 1660 O GLY A 101 -9.000 12.239 -8.969 1.00 0.00 O ATOM 0 H GLY A 101 -8.779 9.646 -11.350 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -10.383 11.912 -11.616 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -10.831 10.408 -10.836 1.00 0.00 H new ATOM 1664 N LEU A 102 -11.257 12.099 -8.936 1.00 0.00 N ATOM 1665 CA LEU A 102 -11.390 12.752 -7.645 1.00 0.00 C ATOM 1666 C LEU A 102 -10.198 13.686 -7.425 1.00 0.00 C ATOM 1667 O LEU A 102 -10.281 14.881 -7.703 1.00 0.00 O ATOM 1668 CB LEU A 102 -11.570 11.714 -6.535 1.00 0.00 C ATOM 1669 CG LEU A 102 -12.546 12.088 -5.418 1.00 0.00 C ATOM 1670 CD1 LEU A 102 -13.818 11.241 -5.494 1.00 0.00 C ATOM 1671 CD2 LEU A 102 -11.873 11.991 -4.047 1.00 0.00 C ATOM 0 H LEU A 102 -12.139 11.818 -9.364 1.00 0.00 H new ATOM 0 HA LEU A 102 -12.288 13.369 -7.622 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -11.907 10.782 -6.988 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -10.596 11.517 -6.088 1.00 0.00 H new ATOM 0 HG LEU A 102 -12.843 13.127 -5.558 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -14.494 11.527 -4.689 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -14.307 11.405 -6.454 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -13.560 10.187 -5.393 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -12.588 12.262 -3.271 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -11.528 10.970 -3.882 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -11.022 12.672 -4.010 1.00 0.00 H new ATOM 1683 N TRP A 103 -9.115 13.105 -6.928 1.00 0.00 N ATOM 1684 CA TRP A 103 -7.908 13.870 -6.668 1.00 0.00 C ATOM 1685 C TRP A 103 -6.708 13.008 -7.066 1.00 0.00 C ATOM 1686 O TRP A 103 -6.773 11.781 -7.009 1.00 0.00 O ATOM 1687 CB TRP A 103 -7.855 14.332 -5.211 1.00 0.00 C ATOM 1688 CG TRP A 103 -8.142 15.823 -5.020 1.00 0.00 C ATOM 1689 CD1 TRP A 103 -8.661 16.683 -5.907 1.00 0.00 C ATOM 1690 CD2 TRP A 103 -7.903 16.599 -3.827 1.00 0.00 C ATOM 1691 NE1 TRP A 103 -8.774 17.952 -5.375 1.00 0.00 N ATOM 1692 CE2 TRP A 103 -8.298 17.898 -4.070 1.00 0.00 C ATOM 1693 CE3 TRP A 103 -7.370 16.215 -2.584 1.00 0.00 C ATOM 1694 CZ2 TRP A 103 -8.203 18.919 -3.116 1.00 0.00 C ATOM 1695 CZ3 TRP A 103 -7.281 17.247 -1.642 1.00 0.00 C ATOM 1696 CH2 TRP A 103 -7.675 18.560 -1.870 1.00 0.00 C ATOM 0 H TRP A 103 -9.049 12.113 -6.699 1.00 0.00 H new ATOM 0 HA TRP A 103 -7.894 14.783 -7.263 1.00 0.00 H new ATOM 0 HB2 TRP A 103 -8.577 13.756 -4.632 1.00 0.00 H new ATOM 0 HB3 TRP A 103 -6.869 14.107 -4.805 1.00 0.00 H new ATOM 0 HD1 TRP A 103 -8.954 16.417 -6.912 1.00 0.00 H new ATOM 0 HE1 TRP A 103 -9.139 18.777 -5.851 1.00 0.00 H new ATOM 0 HE3 TRP A 103 -7.054 15.204 -2.373 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 -8.520 19.929 -3.330 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 -6.878 17.006 -0.670 1.00 0.00 H new ATOM 0 HH2 TRP A 103 -7.574 19.300 -1.090 1.00 0.00 H new ATOM 1707 N ASN A 104 -5.639 13.685 -7.461 1.00 0.00 N ATOM 1708 CA ASN A 104 -4.426 12.997 -7.868 1.00 0.00 C ATOM 1709 C ASN A 104 -3.559 12.729 -6.636 1.00 0.00 C ATOM 1710 O ASN A 104 -2.854 13.619 -6.163 1.00 0.00 O ATOM 1711 CB ASN A 104 -3.611 13.848 -8.843 1.00 0.00 C ATOM 1712 CG ASN A 104 -4.513 14.482 -9.904 1.00 0.00 C ATOM 1713 OD1 ASN A 104 -5.573 15.014 -9.617 1.00 0.00 O ATOM 1714 ND2 ASN A 104 -4.035 14.396 -11.142 1.00 0.00 N ATOM 0 H ASN A 104 -5.588 14.703 -7.508 1.00 0.00 H new ATOM 0 HA ASN A 104 -4.714 12.066 -8.356 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -3.083 14.629 -8.296 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -2.854 13.230 -9.326 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -4.563 14.789 -11.921 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -3.140 13.937 -11.312 1.00 0.00 H new ATOM 1721 N PRO A 105 -3.641 11.466 -6.139 1.00 0.00 N ATOM 1722 CA PRO A 105 -2.872 11.070 -4.971 1.00 0.00 C ATOM 1723 C PRO A 105 -1.398 10.870 -5.327 1.00 0.00 C ATOM 1724 O PRO A 105 -0.936 11.347 -6.363 1.00 0.00 O ATOM 1725 CB PRO A 105 -3.540 9.798 -4.474 1.00 0.00 C ATOM 1726 CG PRO A 105 -4.362 9.275 -5.640 1.00 0.00 C ATOM 1727 CD PRO A 105 -4.465 10.385 -6.673 1.00 0.00 C ATOM 0 HA PRO A 105 -2.867 11.833 -4.192 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -2.798 9.064 -4.160 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -4.173 10.001 -3.610 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -3.891 8.393 -6.074 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -5.354 8.974 -5.303 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -4.103 10.055 -7.647 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -5.498 10.705 -6.809 1.00 0.00 H new ATOM 1735 N LYS A 106 -0.700 10.166 -4.449 1.00 0.00 N ATOM 1736 CA LYS A 106 0.713 9.898 -4.657 1.00 0.00 C ATOM 1737 C LYS A 106 1.290 9.227 -3.410 1.00 0.00 C ATOM 1738 O LYS A 106 2.458 9.423 -3.078 1.00 0.00 O ATOM 1739 CB LYS A 106 1.447 11.178 -5.062 1.00 0.00 C ATOM 1740 CG LYS A 106 0.806 12.406 -4.412 1.00 0.00 C ATOM 1741 CD LYS A 106 0.434 12.125 -2.955 1.00 0.00 C ATOM 1742 CE LYS A 106 1.651 11.644 -2.162 1.00 0.00 C ATOM 1743 NZ LYS A 106 1.978 12.604 -1.084 1.00 0.00 N ATOM 0 H LYS A 106 -1.087 9.772 -3.591 1.00 0.00 H new ATOM 0 HA LYS A 106 0.851 9.203 -5.485 1.00 0.00 H new ATOM 0 HB2 LYS A 106 2.494 11.110 -4.766 1.00 0.00 H new ATOM 0 HB3 LYS A 106 1.428 11.285 -6.147 1.00 0.00 H new ATOM 0 HG2 LYS A 106 1.496 13.248 -4.459 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -0.085 12.693 -4.970 1.00 0.00 H new ATOM 0 HD2 LYS A 106 0.031 13.029 -2.498 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -0.352 11.371 -2.915 1.00 0.00 H new ATOM 0 HE2 LYS A 106 1.449 10.662 -1.734 1.00 0.00 H new ATOM 0 HE3 LYS A 106 2.506 11.531 -2.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 2.806 12.263 -0.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 2.191 13.533 -1.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 1.167 12.691 -0.439 1.00 0.00 H new ATOM 1757 N GLU A 107 0.445 8.447 -2.751 1.00 0.00 N ATOM 1758 CA GLU A 107 0.856 7.746 -1.547 1.00 0.00 C ATOM 1759 C GLU A 107 1.018 6.251 -1.833 1.00 0.00 C ATOM 1760 O GLU A 107 0.330 5.702 -2.691 1.00 0.00 O ATOM 1761 CB GLU A 107 -0.138 7.982 -0.408 1.00 0.00 C ATOM 1762 CG GLU A 107 0.278 9.183 0.443 1.00 0.00 C ATOM 1763 CD GLU A 107 1.668 8.971 1.048 1.00 0.00 C ATOM 1764 OE1 GLU A 107 1.769 8.110 1.949 1.00 0.00 O ATOM 1765 OE2 GLU A 107 2.597 9.674 0.596 1.00 0.00 O ATOM 0 H GLU A 107 -0.523 8.285 -3.029 1.00 0.00 H new ATOM 0 HA GLU A 107 1.821 8.143 -1.230 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -1.134 8.150 -0.819 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -0.197 7.092 0.218 1.00 0.00 H new ATOM 0 HG2 GLU A 107 0.278 10.085 -0.169 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -0.450 9.338 1.240 1.00 0.00 H new ATOM 1772 N ALA A 108 1.932 5.636 -1.096 1.00 0.00 N ATOM 1773 CA ALA A 108 2.193 4.216 -1.260 1.00 0.00 C ATOM 1774 C ALA A 108 2.134 3.531 0.107 1.00 0.00 C ATOM 1775 O ALA A 108 2.777 3.976 1.056 1.00 0.00 O ATOM 1776 CB ALA A 108 3.543 4.022 -1.952 1.00 0.00 C ATOM 0 H ALA A 108 2.501 6.095 -0.384 1.00 0.00 H new ATOM 0 HA ALA A 108 1.434 3.756 -1.893 1.00 0.00 H new ATOM 0 HB1 ALA A 108 3.739 2.957 -2.075 1.00 0.00 H new ATOM 0 HB2 ALA A 108 3.523 4.503 -2.930 1.00 0.00 H new ATOM 0 HB3 ALA A 108 4.331 4.468 -1.345 1.00 0.00 H new ATOM 1782 N LEU A 109 1.357 2.459 0.163 1.00 0.00 N ATOM 1783 CA LEU A 109 1.207 1.708 1.397 1.00 0.00 C ATOM 1784 C LEU A 109 1.608 0.251 1.155 1.00 0.00 C ATOM 1785 O LEU A 109 1.113 -0.387 0.227 1.00 0.00 O ATOM 1786 CB LEU A 109 -0.209 1.871 1.955 1.00 0.00 C ATOM 1787 CG LEU A 109 -1.351 1.610 0.971 1.00 0.00 C ATOM 1788 CD1 LEU A 109 -2.275 0.503 1.484 1.00 0.00 C ATOM 1789 CD2 LEU A 109 -2.117 2.899 0.664 1.00 0.00 C ATOM 0 H LEU A 109 0.825 2.093 -0.627 1.00 0.00 H new ATOM 0 HA LEU A 109 1.875 2.100 2.164 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -0.324 1.195 2.802 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -0.312 2.886 2.340 1.00 0.00 H new ATOM 0 HG LEU A 109 -0.920 1.261 0.033 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -3.078 0.337 0.766 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -1.705 -0.418 1.610 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -2.701 0.800 2.442 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -2.923 2.685 -0.038 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -2.536 3.302 1.586 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -1.438 3.630 0.225 1.00 0.00 H new ATOM 1801 N TRP A 110 2.501 -0.232 2.006 1.00 0.00 N ATOM 1802 CA TRP A 110 2.975 -1.601 1.896 1.00 0.00 C ATOM 1803 C TRP A 110 2.250 -2.438 2.953 1.00 0.00 C ATOM 1804 O TRP A 110 2.073 -1.995 4.086 1.00 0.00 O ATOM 1805 CB TRP A 110 4.498 -1.666 2.024 1.00 0.00 C ATOM 1806 CG TRP A 110 5.009 -1.537 3.460 1.00 0.00 C ATOM 1807 CD1 TRP A 110 5.703 -0.526 4.001 1.00 0.00 C ATOM 1808 CD2 TRP A 110 4.837 -2.497 4.524 1.00 0.00 C ATOM 1809 NE1 TRP A 110 5.989 -0.763 5.330 1.00 0.00 N ATOM 1810 CE2 TRP A 110 5.446 -1.999 5.658 1.00 0.00 C ATOM 1811 CE3 TRP A 110 4.188 -3.744 4.528 1.00 0.00 C ATOM 1812 CZ2 TRP A 110 5.466 -2.683 6.879 1.00 0.00 C ATOM 1813 CZ3 TRP A 110 4.217 -4.415 5.756 1.00 0.00 C ATOM 1814 CH2 TRP A 110 4.826 -3.928 6.907 1.00 0.00 C ATOM 0 H TRP A 110 2.909 0.300 2.775 1.00 0.00 H new ATOM 0 HA TRP A 110 2.748 -2.010 0.911 1.00 0.00 H new ATOM 0 HB2 TRP A 110 4.847 -2.612 1.609 1.00 0.00 H new ATOM 0 HB3 TRP A 110 4.937 -0.872 1.421 1.00 0.00 H new ATOM 0 HD1 TRP A 110 6.001 0.363 3.464 1.00 0.00 H new ATOM 0 HE1 TRP A 110 6.504 -0.144 5.956 1.00 0.00 H new ATOM 0 HE3 TRP A 110 3.705 -4.152 3.652 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 5.949 -2.272 7.753 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 3.732 -5.378 5.813 1.00 0.00 H new ATOM 0 HH2 TRP A 110 4.806 -4.507 7.818 1.00 0.00 H new ATOM 1825 N VAL A 111 1.852 -3.634 2.543 1.00 0.00 N ATOM 1826 CA VAL A 111 1.151 -4.537 3.440 1.00 0.00 C ATOM 1827 C VAL A 111 1.488 -5.982 3.068 1.00 0.00 C ATOM 1828 O VAL A 111 1.150 -6.441 1.978 1.00 0.00 O ATOM 1829 CB VAL A 111 -0.351 -4.245 3.407 1.00 0.00 C ATOM 1830 CG1 VAL A 111 -0.629 -2.767 3.686 1.00 0.00 C ATOM 1831 CG2 VAL A 111 -0.964 -4.677 2.073 1.00 0.00 C ATOM 0 H VAL A 111 2.002 -3.998 1.602 1.00 0.00 H new ATOM 0 HA VAL A 111 1.476 -4.383 4.469 1.00 0.00 H new ATOM 0 HB VAL A 111 -0.823 -4.829 4.197 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -1.704 -2.587 3.657 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -0.244 -2.504 4.671 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -0.138 -2.155 2.929 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -2.032 -4.459 2.076 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -0.484 -4.133 1.259 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -0.813 -5.747 1.933 1.00 0.00 H new ATOM 1841 N ASP A 112 2.150 -6.659 3.995 1.00 0.00 N ATOM 1842 CA ASP A 112 2.537 -8.042 3.778 1.00 0.00 C ATOM 1843 C ASP A 112 1.535 -8.963 4.478 1.00 0.00 C ATOM 1844 O ASP A 112 0.949 -8.591 5.493 1.00 0.00 O ATOM 1845 CB ASP A 112 3.924 -8.324 4.358 1.00 0.00 C ATOM 1846 CG ASP A 112 4.037 -9.621 5.163 1.00 0.00 C ATOM 1847 OD1 ASP A 112 3.771 -9.557 6.382 1.00 0.00 O ATOM 1848 OD2 ASP A 112 4.387 -10.647 4.540 1.00 0.00 O ATOM 0 H ASP A 112 2.428 -6.275 4.898 1.00 0.00 H new ATOM 0 HA ASP A 112 2.553 -8.223 2.703 1.00 0.00 H new ATOM 0 HB2 ASP A 112 4.643 -8.358 3.540 1.00 0.00 H new ATOM 0 HB3 ASP A 112 4.210 -7.490 4.999 1.00 0.00 H new ATOM 1853 N TRP A 113 1.370 -10.147 3.907 1.00 0.00 N ATOM 1854 CA TRP A 113 0.449 -11.124 4.464 1.00 0.00 C ATOM 1855 C TRP A 113 1.234 -12.407 4.746 1.00 0.00 C ATOM 1856 O TRP A 113 0.654 -13.424 5.122 1.00 0.00 O ATOM 1857 CB TRP A 113 -0.744 -11.346 3.532 1.00 0.00 C ATOM 1858 CG TRP A 113 -2.000 -11.858 4.240 1.00 0.00 C ATOM 1859 CD1 TRP A 113 -3.028 -11.143 4.717 1.00 0.00 C ATOM 1860 CD2 TRP A 113 -2.320 -13.235 4.535 1.00 0.00 C ATOM 1861 NE1 TRP A 113 -3.984 -11.954 5.294 1.00 0.00 N ATOM 1862 CE2 TRP A 113 -3.540 -13.266 5.180 1.00 0.00 C ATOM 1863 CE3 TRP A 113 -1.604 -14.413 4.264 1.00 0.00 C ATOM 1864 CZ2 TRP A 113 -4.150 -14.451 5.609 1.00 0.00 C ATOM 1865 CZ3 TRP A 113 -2.226 -15.589 4.700 1.00 0.00 C ATOM 1866 CH2 TRP A 113 -3.454 -15.638 5.350 1.00 0.00 C ATOM 0 H TRP A 113 1.858 -10.452 3.065 1.00 0.00 H new ATOM 0 HA TRP A 113 0.024 -10.763 5.401 1.00 0.00 H new ATOM 0 HB2 TRP A 113 -0.979 -10.408 3.030 1.00 0.00 H new ATOM 0 HB3 TRP A 113 -0.460 -12.059 2.758 1.00 0.00 H new ATOM 0 HD1 TRP A 113 -3.099 -10.067 4.657 1.00 0.00 H new ATOM 0 HE1 TRP A 113 -4.856 -11.647 5.725 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -0.649 -14.411 3.759 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 -5.106 -14.450 6.112 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -1.716 -16.524 4.519 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -3.869 -16.588 5.654 1.00 0.00 H new ATOM 1877 N GLU A 114 2.542 -12.316 4.555 1.00 0.00 N ATOM 1878 CA GLU A 114 3.413 -13.457 4.784 1.00 0.00 C ATOM 1879 C GLU A 114 3.866 -13.493 6.245 1.00 0.00 C ATOM 1880 O GLU A 114 3.829 -14.544 6.884 1.00 0.00 O ATOM 1881 CB GLU A 114 4.615 -13.428 3.838 1.00 0.00 C ATOM 1882 CG GLU A 114 4.719 -14.732 3.044 1.00 0.00 C ATOM 1883 CD GLU A 114 3.352 -15.155 2.504 1.00 0.00 C ATOM 1884 OE1 GLU A 114 2.971 -14.619 1.441 1.00 0.00 O ATOM 1885 OE2 GLU A 114 2.719 -16.007 3.165 1.00 0.00 O ATOM 0 H GLU A 114 3.020 -11.470 4.244 1.00 0.00 H new ATOM 0 HA GLU A 114 2.850 -14.367 4.575 1.00 0.00 H new ATOM 0 HB2 GLU A 114 4.522 -12.586 3.152 1.00 0.00 H new ATOM 0 HB3 GLU A 114 5.529 -13.273 4.411 1.00 0.00 H new ATOM 0 HG2 GLU A 114 5.417 -14.604 2.217 1.00 0.00 H new ATOM 0 HG3 GLU A 114 5.122 -15.519 3.682 1.00 0.00 H new ATOM 1892 N ASN A 115 4.282 -12.333 6.732 1.00 0.00 N ATOM 1893 CA ASN A 115 4.741 -12.220 8.106 1.00 0.00 C ATOM 1894 C ASN A 115 3.771 -11.335 8.891 1.00 0.00 C ATOM 1895 O ASN A 115 4.121 -10.810 9.947 1.00 0.00 O ATOM 1896 CB ASN A 115 6.127 -11.576 8.171 1.00 0.00 C ATOM 1897 CG ASN A 115 7.224 -12.642 8.235 1.00 0.00 C ATOM 1898 OD1 ASN A 115 6.979 -13.806 8.506 1.00 0.00 O ATOM 1899 ND2 ASN A 115 8.443 -12.180 7.971 1.00 0.00 N ATOM 0 H ASN A 115 4.311 -11.463 6.200 1.00 0.00 H new ATOM 0 HA ASN A 115 4.789 -13.223 8.530 1.00 0.00 H new ATOM 0 HB2 ASN A 115 6.280 -10.944 7.296 1.00 0.00 H new ATOM 0 HB3 ASN A 115 6.191 -10.930 9.046 1.00 0.00 H new ATOM 0 HD21 ASN A 115 9.243 -12.813 7.988 1.00 0.00 H new ATOM 0 HD22 ASN A 115 8.578 -11.193 7.751 1.00 0.00 H new ATOM 1906 N LYS A 116 2.572 -11.197 8.346 1.00 0.00 N ATOM 1907 CA LYS A 116 1.549 -10.384 8.983 1.00 0.00 C ATOM 1908 C LYS A 116 2.115 -8.991 9.267 1.00 0.00 C ATOM 1909 O LYS A 116 2.065 -8.517 10.401 1.00 0.00 O ATOM 1910 CB LYS A 116 1.000 -11.090 10.224 1.00 0.00 C ATOM 1911 CG LYS A 116 2.044 -11.126 11.342 1.00 0.00 C ATOM 1912 CD LYS A 116 1.378 -11.290 12.709 1.00 0.00 C ATOM 1913 CE LYS A 116 1.138 -12.767 13.029 1.00 0.00 C ATOM 1914 NZ LYS A 116 0.066 -12.911 14.039 1.00 0.00 N ATOM 0 H LYS A 116 2.285 -11.634 7.470 1.00 0.00 H new ATOM 0 HA LYS A 116 0.697 -10.252 8.317 1.00 0.00 H new ATOM 0 HB2 LYS A 116 0.105 -10.575 10.574 1.00 0.00 H new ATOM 0 HB3 LYS A 116 0.703 -12.107 9.967 1.00 0.00 H new ATOM 0 HG2 LYS A 116 2.738 -11.949 11.170 1.00 0.00 H new ATOM 0 HG3 LYS A 116 2.630 -10.207 11.327 1.00 0.00 H new ATOM 0 HD2 LYS A 116 2.007 -10.845 13.480 1.00 0.00 H new ATOM 0 HD3 LYS A 116 0.430 -10.753 12.722 1.00 0.00 H new ATOM 0 HE2 LYS A 116 0.864 -13.302 12.120 1.00 0.00 H new ATOM 0 HE3 LYS A 116 2.058 -13.219 13.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -0.084 -13.919 14.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 0.342 -12.417 14.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -0.815 -12.498 13.672 1.00 0.00 H new ATOM 1928 N LEU A 117 2.638 -8.375 8.218 1.00 0.00 N ATOM 1929 CA LEU A 117 3.212 -7.045 8.341 1.00 0.00 C ATOM 1930 C LEU A 117 2.365 -6.053 7.543 1.00 0.00 C ATOM 1931 O LEU A 117 1.918 -6.359 6.439 1.00 0.00 O ATOM 1932 CB LEU A 117 4.688 -7.059 7.935 1.00 0.00 C ATOM 1933 CG LEU A 117 5.698 -6.938 9.078 1.00 0.00 C ATOM 1934 CD1 LEU A 117 7.102 -7.328 8.611 1.00 0.00 C ATOM 1935 CD2 LEU A 117 5.667 -5.537 9.691 1.00 0.00 C ATOM 0 H LEU A 117 2.677 -8.771 7.279 1.00 0.00 H new ATOM 0 HA LEU A 117 3.194 -6.717 9.380 1.00 0.00 H new ATOM 0 HB2 LEU A 117 4.888 -7.985 7.396 1.00 0.00 H new ATOM 0 HB3 LEU A 117 4.860 -6.241 7.236 1.00 0.00 H new ATOM 0 HG LEU A 117 5.412 -7.639 9.862 1.00 0.00 H new ATOM 0 HD11 LEU A 117 7.801 -7.233 9.442 1.00 0.00 H new ATOM 0 HD12 LEU A 117 7.095 -8.359 8.258 1.00 0.00 H new ATOM 0 HD13 LEU A 117 7.412 -6.669 7.800 1.00 0.00 H new ATOM 0 HD21 LEU A 117 6.394 -5.478 10.501 1.00 0.00 H new ATOM 0 HD22 LEU A 117 5.914 -4.800 8.927 1.00 0.00 H new ATOM 0 HD23 LEU A 117 4.670 -5.333 10.083 1.00 0.00 H new ATOM 1947 N VAL A 118 2.168 -4.883 8.133 1.00 0.00 N ATOM 1948 CA VAL A 118 1.382 -3.843 7.491 1.00 0.00 C ATOM 1949 C VAL A 118 1.922 -2.473 7.904 1.00 0.00 C ATOM 1950 O VAL A 118 2.536 -2.336 8.961 1.00 0.00 O ATOM 1951 CB VAL A 118 -0.100 -4.027 7.825 1.00 0.00 C ATOM 1952 CG1 VAL A 118 -0.887 -2.743 7.552 1.00 0.00 C ATOM 1953 CG2 VAL A 118 -0.694 -5.208 7.055 1.00 0.00 C ATOM 0 H VAL A 118 2.539 -4.632 9.049 1.00 0.00 H new ATOM 0 HA VAL A 118 1.469 -3.913 6.407 1.00 0.00 H new ATOM 0 HB VAL A 118 -0.178 -4.248 8.889 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -1.937 -2.901 7.798 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -0.488 -1.935 8.165 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -0.797 -2.478 6.499 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -1.748 -5.316 7.311 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -0.597 -5.030 5.984 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -0.161 -6.121 7.321 1.00 0.00 H new ATOM 1963 N GLY A 119 1.675 -1.493 7.047 1.00 0.00 N ATOM 1964 CA GLY A 119 2.130 -0.138 7.309 1.00 0.00 C ATOM 1965 C GLY A 119 2.154 0.691 6.023 1.00 0.00 C ATOM 1966 O GLY A 119 2.942 0.417 5.119 1.00 0.00 O ATOM 0 H GLY A 119 1.166 -1.610 6.171 1.00 0.00 H new ATOM 0 HA2 GLY A 119 1.473 0.335 8.039 1.00 0.00 H new ATOM 0 HA3 GLY A 119 3.127 -0.164 7.748 1.00 0.00 H new ATOM 1970 N ASN A 120 1.281 1.687 5.982 1.00 0.00 N ATOM 1971 CA ASN A 120 1.193 2.557 4.822 1.00 0.00 C ATOM 1972 C ASN A 120 2.457 3.414 4.735 1.00 0.00 C ATOM 1973 O ASN A 120 3.383 3.243 5.526 1.00 0.00 O ATOM 1974 CB ASN A 120 -0.009 3.498 4.929 1.00 0.00 C ATOM 1975 CG ASN A 120 -0.067 4.158 6.308 1.00 0.00 C ATOM 1976 OD1 ASN A 120 0.156 3.535 7.333 1.00 0.00 O ATOM 1977 ND2 ASN A 120 -0.378 5.451 6.276 1.00 0.00 N ATOM 0 H ASN A 120 0.629 1.911 6.733 1.00 0.00 H new ATOM 0 HA ASN A 120 1.082 1.929 3.938 1.00 0.00 H new ATOM 0 HB2 ASN A 120 0.055 4.265 4.157 1.00 0.00 H new ATOM 0 HB3 ASN A 120 -0.929 2.941 4.749 1.00 0.00 H new ATOM 0 HD21 ASN A 120 -0.442 5.982 7.145 1.00 0.00 H new ATOM 0 HD22 ASN A 120 -0.553 5.912 5.383 1.00 0.00 H new ATOM 1984 N GLU A 121 2.456 4.318 3.766 1.00 0.00 N ATOM 1985 CA GLU A 121 3.591 5.202 3.565 1.00 0.00 C ATOM 1986 C GLU A 121 4.722 4.459 2.852 1.00 0.00 C ATOM 1987 O GLU A 121 4.909 3.261 3.057 1.00 0.00 O ATOM 1988 CB GLU A 121 4.072 5.787 4.894 1.00 0.00 C ATOM 1989 CG GLU A 121 3.905 7.308 4.917 1.00 0.00 C ATOM 1990 CD GLU A 121 4.819 7.945 5.965 1.00 0.00 C ATOM 1991 OE1 GLU A 121 4.971 7.323 7.039 1.00 0.00 O ATOM 1992 OE2 GLU A 121 5.345 9.039 5.669 1.00 0.00 O ATOM 0 H GLU A 121 1.686 4.457 3.111 1.00 0.00 H new ATOM 0 HA GLU A 121 3.273 6.032 2.934 1.00 0.00 H new ATOM 0 HB2 GLU A 121 3.509 5.343 5.715 1.00 0.00 H new ATOM 0 HB3 GLU A 121 5.120 5.530 5.050 1.00 0.00 H new ATOM 0 HG2 GLU A 121 4.134 7.717 3.933 1.00 0.00 H new ATOM 0 HG3 GLU A 121 2.867 7.560 5.134 1.00 0.00 H new ATOM 1999 N PRO A 122 5.467 5.221 2.007 1.00 0.00 N ATOM 2000 CA PRO A 122 6.575 4.647 1.262 1.00 0.00 C ATOM 2001 C PRO A 122 7.783 4.413 2.170 1.00 0.00 C ATOM 2002 O PRO A 122 8.449 3.383 2.071 1.00 0.00 O ATOM 2003 CB PRO A 122 6.855 5.641 0.146 1.00 0.00 C ATOM 2004 CG PRO A 122 6.209 6.947 0.579 1.00 0.00 C ATOM 2005 CD PRO A 122 5.275 6.643 1.739 1.00 0.00 C ATOM 0 HA PRO A 122 6.343 3.664 0.853 1.00 0.00 H new ATOM 0 HB2 PRO A 122 7.927 5.767 -0.005 1.00 0.00 H new ATOM 0 HB3 PRO A 122 6.439 5.294 -0.800 1.00 0.00 H new ATOM 0 HG2 PRO A 122 6.969 7.668 0.880 1.00 0.00 H new ATOM 0 HG3 PRO A 122 5.657 7.393 -0.249 1.00 0.00 H new ATOM 0 HD2 PRO A 122 5.519 7.247 2.613 1.00 0.00 H new ATOM 0 HD3 PRO A 122 4.239 6.861 1.481 1.00 0.00 H new ATOM 2013 N ALA A 123 8.031 5.385 3.035 1.00 0.00 N ATOM 2014 CA ALA A 123 9.148 5.298 3.961 1.00 0.00 C ATOM 2015 C ALA A 123 9.005 4.030 4.806 1.00 0.00 C ATOM 2016 O ALA A 123 10.001 3.468 5.260 1.00 0.00 O ATOM 2017 CB ALA A 123 9.204 6.565 4.815 1.00 0.00 C ATOM 0 H ALA A 123 7.477 6.238 3.114 1.00 0.00 H new ATOM 0 HA ALA A 123 10.092 5.229 3.420 1.00 0.00 H new ATOM 0 HB1 ALA A 123 10.042 6.499 5.509 1.00 0.00 H new ATOM 0 HB2 ALA A 123 9.335 7.433 4.169 1.00 0.00 H new ATOM 0 HB3 ALA A 123 8.275 6.667 5.376 1.00 0.00 H new ATOM 2023 N ASP A 124 7.760 3.618 4.992 1.00 0.00 N ATOM 2024 CA ASP A 124 7.475 2.428 5.775 1.00 0.00 C ATOM 2025 C ASP A 124 8.175 1.225 5.141 1.00 0.00 C ATOM 2026 O ASP A 124 8.758 0.400 5.842 1.00 0.00 O ATOM 2027 CB ASP A 124 5.973 2.137 5.808 1.00 0.00 C ATOM 2028 CG ASP A 124 5.449 1.590 7.137 1.00 0.00 C ATOM 2029 OD1 ASP A 124 6.068 0.625 7.637 1.00 0.00 O ATOM 2030 OD2 ASP A 124 4.443 2.148 7.624 1.00 0.00 O ATOM 0 H ASP A 124 6.937 4.087 4.614 1.00 0.00 H new ATOM 0 HA ASP A 124 7.832 2.600 6.790 1.00 0.00 H new ATOM 0 HB2 ASP A 124 5.435 3.055 5.573 1.00 0.00 H new ATOM 0 HB3 ASP A 124 5.740 1.421 5.020 1.00 0.00 H new ATOM 2035 N ILE A 125 8.096 1.164 3.819 1.00 0.00 N ATOM 2036 CA ILE A 125 8.715 0.076 3.082 1.00 0.00 C ATOM 2037 C ILE A 125 10.175 -0.064 3.518 1.00 0.00 C ATOM 2038 O ILE A 125 10.617 -1.154 3.878 1.00 0.00 O ATOM 2039 CB ILE A 125 8.540 0.281 1.576 1.00 0.00 C ATOM 2040 CG1 ILE A 125 7.342 -0.511 1.050 1.00 0.00 C ATOM 2041 CG2 ILE A 125 9.828 -0.060 0.823 1.00 0.00 C ATOM 2042 CD1 ILE A 125 7.665 -1.167 -0.294 1.00 0.00 C ATOM 0 H ILE A 125 7.613 1.851 3.240 1.00 0.00 H new ATOM 0 HA ILE A 125 8.221 -0.868 3.311 1.00 0.00 H new ATOM 0 HB ILE A 125 8.332 1.336 1.397 1.00 0.00 H new ATOM 0 HG12 ILE A 125 7.061 -1.276 1.774 1.00 0.00 H new ATOM 0 HG13 ILE A 125 6.484 0.152 0.938 1.00 0.00 H new ATOM 0 HG21 ILE A 125 9.677 0.094 -0.245 1.00 0.00 H new ATOM 0 HG22 ILE A 125 10.635 0.584 1.172 1.00 0.00 H new ATOM 0 HG23 ILE A 125 10.091 -1.102 1.005 1.00 0.00 H new ATOM 0 HD11 ILE A 125 6.796 -1.724 -0.645 1.00 0.00 H new ATOM 0 HD12 ILE A 125 7.922 -0.398 -1.022 1.00 0.00 H new ATOM 0 HD13 ILE A 125 8.508 -1.848 -0.173 1.00 0.00 H new ATOM 2054 N ASP A 126 10.883 1.055 3.472 1.00 0.00 N ATOM 2055 CA ASP A 126 12.283 1.071 3.858 1.00 0.00 C ATOM 2056 C ASP A 126 12.443 0.377 5.213 1.00 0.00 C ATOM 2057 O ASP A 126 13.243 -0.546 5.351 1.00 0.00 O ATOM 2058 CB ASP A 126 12.800 2.504 3.997 1.00 0.00 C ATOM 2059 CG ASP A 126 13.907 2.694 5.036 1.00 0.00 C ATOM 2060 OD1 ASP A 126 14.740 1.770 5.154 1.00 0.00 O ATOM 2061 OD2 ASP A 126 13.894 3.760 5.689 1.00 0.00 O ATOM 0 H ASP A 126 10.513 1.957 3.173 1.00 0.00 H new ATOM 0 HA ASP A 126 12.852 0.556 3.084 1.00 0.00 H new ATOM 0 HB2 ASP A 126 13.172 2.836 3.027 1.00 0.00 H new ATOM 0 HB3 ASP A 126 11.963 3.153 4.257 1.00 0.00 H new ATOM 2066 N LYS A 127 11.667 0.850 6.178 1.00 0.00 N ATOM 2067 CA LYS A 127 11.712 0.287 7.517 1.00 0.00 C ATOM 2068 C LYS A 127 11.400 -1.209 7.447 1.00 0.00 C ATOM 2069 O LYS A 127 12.189 -2.034 7.906 1.00 0.00 O ATOM 2070 CB LYS A 127 10.789 1.065 8.456 1.00 0.00 C ATOM 2071 CG LYS A 127 11.118 2.559 8.436 1.00 0.00 C ATOM 2072 CD LYS A 127 12.615 2.787 8.217 1.00 0.00 C ATOM 2073 CE LYS A 127 12.951 4.280 8.241 1.00 0.00 C ATOM 2074 NZ LYS A 127 14.416 4.480 8.306 1.00 0.00 N ATOM 0 H LYS A 127 11.004 1.616 6.059 1.00 0.00 H new ATOM 0 HA LYS A 127 12.712 0.385 7.938 1.00 0.00 H new ATOM 0 HB2 LYS A 127 9.751 0.914 8.159 1.00 0.00 H new ATOM 0 HB3 LYS A 127 10.889 0.681 9.471 1.00 0.00 H new ATOM 0 HG2 LYS A 127 10.552 3.049 7.644 1.00 0.00 H new ATOM 0 HG3 LYS A 127 10.811 3.016 9.377 1.00 0.00 H new ATOM 0 HD2 LYS A 127 13.182 2.270 8.991 1.00 0.00 H new ATOM 0 HD3 LYS A 127 12.916 2.358 7.261 1.00 0.00 H new ATOM 0 HE2 LYS A 127 12.551 4.763 7.350 1.00 0.00 H new ATOM 0 HE3 LYS A 127 12.475 4.752 9.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 14.620 5.454 8.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 14.828 3.812 8.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 14.831 4.315 7.367 1.00 0.00 H new ATOM 2088 N TYR A 128 10.247 -1.514 6.869 1.00 0.00 N ATOM 2089 CA TYR A 128 9.821 -2.897 6.734 1.00 0.00 C ATOM 2090 C TYR A 128 10.719 -3.654 5.753 1.00 0.00 C ATOM 2091 O TYR A 128 11.639 -4.358 6.166 1.00 0.00 O ATOM 2092 CB TYR A 128 8.399 -2.846 6.170 1.00 0.00 C ATOM 2093 CG TYR A 128 7.873 -4.200 5.688 1.00 0.00 C ATOM 2094 CD1 TYR A 128 8.280 -5.361 6.313 1.00 0.00 C ATOM 2095 CD2 TYR A 128 6.990 -4.259 4.629 1.00 0.00 C ATOM 2096 CE1 TYR A 128 7.784 -6.634 5.860 1.00 0.00 C ATOM 2097 CE2 TYR A 128 6.494 -5.533 4.176 1.00 0.00 C ATOM 2098 CZ TYR A 128 6.916 -6.658 4.814 1.00 0.00 C ATOM 2099 OH TYR A 128 6.447 -7.860 4.386 1.00 0.00 O ATOM 0 H TYR A 128 9.595 -0.828 6.489 1.00 0.00 H new ATOM 0 HA TYR A 128 9.872 -3.410 7.694 1.00 0.00 H new ATOM 0 HB2 TYR A 128 7.728 -2.459 6.937 1.00 0.00 H new ATOM 0 HB3 TYR A 128 8.373 -2.141 5.339 1.00 0.00 H new ATOM 0 HD1 TYR A 128 8.971 -5.314 7.142 1.00 0.00 H new ATOM 0 HD2 TYR A 128 6.671 -3.350 4.140 1.00 0.00 H new ATOM 0 HE1 TYR A 128 8.095 -7.550 6.341 1.00 0.00 H new ATOM 0 HE2 TYR A 128 5.803 -5.594 3.349 1.00 0.00 H new ATOM 0 HH TYR A 128 6.287 -7.823 3.420 1.00 0.00 H new ATOM 2109 N ILE A 129 10.420 -3.483 4.474 1.00 0.00 N ATOM 2110 CA ILE A 129 11.189 -4.142 3.431 1.00 0.00 C ATOM 2111 C ILE A 129 11.439 -3.156 2.288 1.00 0.00 C ATOM 2112 O ILE A 129 10.617 -3.030 1.381 1.00 0.00 O ATOM 2113 CB ILE A 129 10.497 -5.433 2.990 1.00 0.00 C ATOM 2114 CG1 ILE A 129 8.976 -5.310 3.112 1.00 0.00 C ATOM 2115 CG2 ILE A 129 11.038 -6.637 3.762 1.00 0.00 C ATOM 2116 CD1 ILE A 129 8.441 -4.204 2.201 1.00 0.00 C ATOM 0 H ILE A 129 9.656 -2.898 4.136 1.00 0.00 H new ATOM 0 HA ILE A 129 12.165 -4.445 3.810 1.00 0.00 H new ATOM 0 HB ILE A 129 10.723 -5.598 1.937 1.00 0.00 H new ATOM 0 HG12 ILE A 129 8.509 -6.259 2.851 1.00 0.00 H new ATOM 0 HG13 ILE A 129 8.707 -5.096 4.146 1.00 0.00 H new ATOM 0 HG21 ILE A 129 10.529 -7.541 3.429 1.00 0.00 H new ATOM 0 HG22 ILE A 129 12.108 -6.735 3.580 1.00 0.00 H new ATOM 0 HG23 ILE A 129 10.863 -6.494 4.828 1.00 0.00 H new ATOM 0 HD11 ILE A 129 7.358 -4.138 2.307 1.00 0.00 H new ATOM 0 HD12 ILE A 129 8.892 -3.252 2.481 1.00 0.00 H new ATOM 0 HD13 ILE A 129 8.691 -4.433 1.165 1.00 0.00 H new ATOM 2128 N ILE A 130 12.577 -2.482 2.369 1.00 0.00 N ATOM 2129 CA ILE A 130 12.945 -1.512 1.353 1.00 0.00 C ATOM 2130 C ILE A 130 12.915 -2.182 -0.022 1.00 0.00 C ATOM 2131 O ILE A 130 12.331 -3.253 -0.181 1.00 0.00 O ATOM 2132 CB ILE A 130 14.290 -0.865 1.692 1.00 0.00 C ATOM 2133 CG1 ILE A 130 15.427 -1.519 0.904 1.00 0.00 C ATOM 2134 CG2 ILE A 130 14.547 -0.894 3.200 1.00 0.00 C ATOM 2135 CD1 ILE A 130 15.488 -3.023 1.175 1.00 0.00 C ATOM 0 H ILE A 130 13.256 -2.589 3.123 1.00 0.00 H new ATOM 0 HA ILE A 130 12.222 -0.697 1.326 1.00 0.00 H new ATOM 0 HB ILE A 130 14.251 0.182 1.392 1.00 0.00 H new ATOM 0 HG12 ILE A 130 15.283 -1.344 -0.162 1.00 0.00 H new ATOM 0 HG13 ILE A 130 16.376 -1.058 1.178 1.00 0.00 H new ATOM 0 HG21 ILE A 130 15.509 -0.428 3.414 1.00 0.00 H new ATOM 0 HG22 ILE A 130 13.757 -0.347 3.714 1.00 0.00 H new ATOM 0 HG23 ILE A 130 14.559 -1.927 3.547 1.00 0.00 H new ATOM 0 HD11 ILE A 130 16.305 -3.463 0.603 1.00 0.00 H new ATOM 0 HD12 ILE A 130 15.656 -3.195 2.238 1.00 0.00 H new ATOM 0 HD13 ILE A 130 14.547 -3.485 0.878 1.00 0.00 H new ATOM 2147 N GLN A 131 13.552 -1.525 -0.980 1.00 0.00 N ATOM 2148 CA GLN A 131 13.605 -2.045 -2.336 1.00 0.00 C ATOM 2149 C GLN A 131 14.140 -3.478 -2.335 1.00 0.00 C ATOM 2150 O GLN A 131 13.535 -4.371 -2.926 1.00 0.00 O ATOM 2151 CB GLN A 131 14.453 -1.144 -3.236 1.00 0.00 C ATOM 2152 CG GLN A 131 14.400 0.310 -2.762 1.00 0.00 C ATOM 2153 CD GLN A 131 15.635 0.661 -1.930 1.00 0.00 C ATOM 2154 OE1 GLN A 131 15.935 1.815 -1.673 1.00 0.00 O ATOM 2155 NE2 GLN A 131 16.333 -0.396 -1.525 1.00 0.00 N ATOM 0 H GLN A 131 14.036 -0.637 -0.844 1.00 0.00 H new ATOM 0 HA GLN A 131 12.592 -2.057 -2.739 1.00 0.00 H new ATOM 0 HB2 GLN A 131 15.486 -1.493 -3.236 1.00 0.00 H new ATOM 0 HB3 GLN A 131 14.094 -1.209 -4.263 1.00 0.00 H new ATOM 0 HG2 GLN A 131 14.336 0.975 -3.623 1.00 0.00 H new ATOM 0 HG3 GLN A 131 13.500 0.470 -2.169 1.00 0.00 H new ATOM 0 HE21 GLN A 131 16.026 -1.336 -1.775 1.00 0.00 H new ATOM 0 HE22 GLN A 131 17.175 -0.267 -0.964 1.00 0.00 H new ATOM 2164 N ARG A 132 15.269 -3.654 -1.663 1.00 0.00 N ATOM 2165 CA ARG A 132 15.892 -4.963 -1.577 1.00 0.00 C ATOM 2166 C ARG A 132 15.629 -5.587 -0.205 1.00 0.00 C ATOM 2167 O ARG A 132 16.566 -5.929 0.515 1.00 0.00 O ATOM 2168 CB ARG A 132 17.402 -4.870 -1.807 1.00 0.00 C ATOM 2169 CG ARG A 132 18.093 -4.170 -0.635 1.00 0.00 C ATOM 2170 CD ARG A 132 19.506 -4.718 -0.425 1.00 0.00 C ATOM 2171 NE ARG A 132 20.255 -4.689 -1.700 1.00 0.00 N ATOM 2172 CZ ARG A 132 21.460 -5.249 -1.877 1.00 0.00 C ATOM 2173 NH1 ARG A 132 22.059 -5.885 -0.861 1.00 0.00 N ATOM 2174 NH2 ARG A 132 22.066 -5.173 -3.070 1.00 0.00 N ATOM 0 H ARG A 132 15.768 -2.911 -1.173 1.00 0.00 H new ATOM 0 HA ARG A 132 15.455 -5.590 -2.354 1.00 0.00 H new ATOM 0 HB2 ARG A 132 17.816 -5.870 -1.933 1.00 0.00 H new ATOM 0 HB3 ARG A 132 17.600 -4.324 -2.729 1.00 0.00 H new ATOM 0 HG2 ARG A 132 18.139 -3.097 -0.824 1.00 0.00 H new ATOM 0 HG3 ARG A 132 17.506 -4.309 0.273 1.00 0.00 H new ATOM 0 HD2 ARG A 132 20.027 -4.124 0.326 1.00 0.00 H new ATOM 0 HD3 ARG A 132 19.456 -5.739 -0.046 1.00 0.00 H new ATOM 0 HE ARG A 132 19.828 -4.213 -2.495 1.00 0.00 H new ATOM 0 HH11 ARG A 132 21.598 -5.943 0.047 1.00 0.00 H new ATOM 0 HH12 ARG A 132 22.976 -6.311 -0.996 1.00 0.00 H new ATOM 0 HH21 ARG A 132 21.610 -4.689 -3.844 1.00 0.00 H new ATOM 0 HH22 ARG A 132 22.983 -5.599 -3.204 1.00 0.00 H new ATOM 2188 N LYS A 133 14.350 -5.717 0.116 1.00 0.00 N ATOM 2189 CA LYS A 133 13.953 -6.293 1.389 1.00 0.00 C ATOM 2190 C LYS A 133 12.519 -6.816 1.281 1.00 0.00 C ATOM 2191 O LYS A 133 11.945 -6.845 0.194 1.00 0.00 O ATOM 2192 CB LYS A 133 14.156 -5.284 2.521 1.00 0.00 C ATOM 2193 CG LYS A 133 14.102 -5.974 3.886 1.00 0.00 C ATOM 2194 CD LYS A 133 14.410 -7.467 3.758 1.00 0.00 C ATOM 2195 CE LYS A 133 14.356 -8.156 5.123 1.00 0.00 C ATOM 2196 NZ LYS A 133 13.545 -9.393 5.047 1.00 0.00 N ATOM 0 H LYS A 133 13.575 -5.433 -0.484 1.00 0.00 H new ATOM 0 HA LYS A 133 14.586 -7.145 1.636 1.00 0.00 H new ATOM 0 HB2 LYS A 133 15.117 -4.784 2.400 1.00 0.00 H new ATOM 0 HB3 LYS A 133 13.387 -4.513 2.468 1.00 0.00 H new ATOM 0 HG2 LYS A 133 14.819 -5.508 4.562 1.00 0.00 H new ATOM 0 HG3 LYS A 133 13.114 -5.839 4.327 1.00 0.00 H new ATOM 0 HD2 LYS A 133 13.693 -7.933 3.082 1.00 0.00 H new ATOM 0 HD3 LYS A 133 15.398 -7.602 3.317 1.00 0.00 H new ATOM 0 HE2 LYS A 133 15.366 -8.396 5.456 1.00 0.00 H new ATOM 0 HE3 LYS A 133 13.929 -7.479 5.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 133 13.135 -9.598 5.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 133 12.780 -9.265 4.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 133 14.149 -10.187 4.753 1.00 0.00 H new TER 2210 LYS A 133