USER MOD reduce.3.24.130724 H: found=0, std=0, add=1079, rem=0, adj=44 USER MOD reduce.3.24.130724 removed 1079 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 126 TYR OH : rot 6:sc= 0.425 USER MOD Set 1.2: A 130 MET CE :methyl 144:sc= -1.63 (180deg=-4.3!) USER MOD Set 2.1: A 110 GLN : amide:sc= -0.697 K(o=-1.1,f=-5.3!) USER MOD Set 2.2: A 114 GLN :FLIP amide:sc= -0.405 F(o=-3.6!,f=-1.1) USER MOD Set 3.1: A 47 CYS SG : rot 139:sc= -0.863 USER MOD Set 3.2: A 105 GLN : amide:sc= -2.29! C(o=-3.2!,f=-17!) USER MOD Set 4.1: A 73 THR OG1 : rot 180:sc= 1.1 USER MOD Set 4.2: A 86 LYS NZ :NH3+ -134:sc= 1.12 (180deg=-0.0203) USER MOD Set 5.1: A 67 TYR OH : rot 180:sc= -0.57 USER MOD Set 5.2: A 72 GLN : amide:sc= 0.484 K(o=-0.086,f=-0.98) USER MOD Set 6.1: A 53 SER OG : rot 0:sc= -0.44 USER MOD Set 6.2: A 58 GLN : amide:sc= -2.76! C(o=-2.7!,f=-5.3!) USER MOD Set 6.3: A 62 LYS NZ :NH3+ -135:sc= 0.48 (180deg=-0.403) USER MOD Set 7.1: A 37 SER OG : rot -64:sc= 0.98 USER MOD Set 7.2: A 40 ASN : amide:sc= 0.208 K(o=1.2,f=-1.1) USER MOD Single : A 1 SER N :NH3+ 172:sc= 0.947 (180deg=0.895) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 153:sc= 1.31 (180deg=0.914) USER MOD Single : A 14 SER OG : rot 170:sc= -0.429 USER MOD Single : A 17 LYS NZ :NH3+ -162:sc= 1.23 (180deg=1.09) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 HIS : +bothHN:sc= -0.126 K(o=-0.13,f=-6.6!) USER MOD Single : A 29 THR OG1 : rot -155:sc= -1.71! USER MOD Single : A 33 LYS NZ :NH3+ 177:sc= 1.11 (180deg=1.03) USER MOD Single : A 34 THR OG1 : rot -38:sc= 0.127 USER MOD Single : A 51 LYS NZ :NH3+ -165:sc= -0.176! (180deg=-1.66!) USER MOD Single : A 52 LYS NZ :NH3+ -162:sc= -0.114 (180deg=-0.451) USER MOD Single : A 54 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.148) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 60 HIS :FLIP no HE2:sc= 0.0619 F(o=-3.1!,f=0.062) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ -132:sc= 0.0117 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ -167:sc= -0.219 (180deg=-0.549!) USER MOD Single : A 80 ASN :FLIP amide:sc= -0.0657 F(o=-2!,f=-0.066) USER MOD Single : A 84 HIS : no HE2:sc= 0.0456 X(o=0.046,f=-0.28) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot -25:sc= 1.15 USER MOD Single : A 91 ASN : amide:sc= 1.18 K(o=1.2,f=-0.0044) USER MOD Single : A 92 SER OG : rot 83:sc= 0.663 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 GLN :FLIP amide:sc= -0.0125 F(o=-1.2!,f=-0.012) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 HIS : no HE2:sc= -2.9! C(o=-2.9!,f=-6.1!) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 64:sc= 0.179 USER MOD Single : A 109 TYR OH : rot 58:sc= 0.571 USER MOD Single : A 112 MET CE :methyl 146:sc= -0.384 (180deg=-0.608) USER MOD Single : A 116 SER OG : rot 26:sc= 1.22 USER MOD Single : A 117 TYR OH : rot 25:sc= 0.943 USER MOD Single : A 118 THR OG1 : rot -124:sc= 0.474 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 SER OG : rot -52:sc= -0.613! USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -14.903 -9.908 -8.403 1.00 0.00 N ATOM 2 CA SER A 1 -15.458 -8.846 -9.267 1.00 0.00 C ATOM 3 C SER A 1 -16.752 -8.299 -8.658 1.00 0.00 C ATOM 4 O SER A 1 -16.770 -7.187 -8.124 1.00 0.00 O ATOM 5 CB SER A 1 -15.705 -9.392 -10.679 1.00 0.00 C ATOM 6 OG SER A 1 -14.525 -9.977 -11.213 1.00 0.00 O ATOM 0 H1 SER A 1 -14.104 -10.366 -8.886 1.00 0.00 H new ATOM 0 H2 SER A 1 -14.574 -9.491 -7.509 1.00 0.00 H new ATOM 0 H3 SER A 1 -15.640 -10.615 -8.205 1.00 0.00 H new ATOM 0 HA SER A 1 -14.740 -8.029 -9.338 1.00 0.00 H new ATOM 0 HB2 SER A 1 -16.503 -10.134 -10.651 1.00 0.00 H new ATOM 0 HB3 SER A 1 -16.042 -8.586 -11.331 1.00 0.00 H new ATOM 0 HG SER A 1 -14.708 -10.319 -12.113 1.00 0.00 H new ATOM 14 N MET A 2 -17.833 -9.078 -8.732 1.00 0.00 N ATOM 15 CA MET A 2 -19.080 -8.712 -8.069 1.00 0.00 C ATOM 16 C MET A 2 -19.078 -9.276 -6.655 1.00 0.00 C ATOM 17 O MET A 2 -19.282 -10.475 -6.451 1.00 0.00 O ATOM 18 CB MET A 2 -20.303 -9.227 -8.842 1.00 0.00 C ATOM 19 CG MET A 2 -21.636 -8.842 -8.201 1.00 0.00 C ATOM 20 SD MET A 2 -23.067 -9.446 -9.119 1.00 0.00 S ATOM 21 CE MET A 2 -24.402 -8.800 -8.110 1.00 0.00 C ATOM 0 H MET A 2 -17.868 -9.961 -9.242 1.00 0.00 H new ATOM 0 HA MET A 2 -19.148 -7.625 -8.036 1.00 0.00 H new ATOM 0 HB2 MET A 2 -20.271 -8.836 -9.859 1.00 0.00 H new ATOM 0 HB3 MET A 2 -20.245 -10.313 -8.917 1.00 0.00 H new ATOM 0 HG2 MET A 2 -21.671 -9.237 -7.186 1.00 0.00 H new ATOM 0 HG3 MET A 2 -21.694 -7.756 -8.123 1.00 0.00 H new ATOM 0 HE1 MET A 2 -25.359 -9.088 -8.545 1.00 0.00 H new ATOM 0 HE2 MET A 2 -24.325 -9.206 -7.101 1.00 0.00 H new ATOM 0 HE3 MET A 2 -24.334 -7.713 -8.070 1.00 0.00 H new ATOM 31 N VAL A 3 -18.806 -8.412 -5.690 1.00 0.00 N ATOM 32 CA VAL A 3 -18.716 -8.814 -4.294 1.00 0.00 C ATOM 33 C VAL A 3 -20.099 -8.857 -3.639 1.00 0.00 C ATOM 34 O VAL A 3 -20.945 -8.000 -3.899 1.00 0.00 O ATOM 35 CB VAL A 3 -17.783 -7.859 -3.503 1.00 0.00 C ATOM 36 CG1 VAL A 3 -18.226 -6.408 -3.659 1.00 0.00 C ATOM 37 CG2 VAL A 3 -17.718 -8.248 -2.028 1.00 0.00 C ATOM 0 H VAL A 3 -18.642 -7.418 -5.850 1.00 0.00 H new ATOM 0 HA VAL A 3 -18.293 -9.818 -4.269 1.00 0.00 H new ATOM 0 HB VAL A 3 -16.781 -7.955 -3.921 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -17.555 -5.760 -3.095 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -18.198 -6.130 -4.713 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -19.242 -6.295 -3.281 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -17.057 -7.561 -1.499 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -18.717 -8.197 -1.594 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -17.334 -9.264 -1.936 1.00 0.00 H new ATOM 47 N SER A 4 -20.324 -9.877 -2.818 1.00 0.00 N ATOM 48 CA SER A 4 -21.554 -9.998 -2.045 1.00 0.00 C ATOM 49 C SER A 4 -21.407 -9.233 -0.724 1.00 0.00 C ATOM 50 O SER A 4 -20.303 -9.156 -0.176 1.00 0.00 O ATOM 51 CB SER A 4 -21.854 -11.480 -1.790 1.00 0.00 C ATOM 52 OG SER A 4 -21.880 -12.203 -3.013 1.00 0.00 O ATOM 0 H SER A 4 -19.663 -10.639 -2.670 1.00 0.00 H new ATOM 0 HA SER A 4 -22.386 -9.568 -2.602 1.00 0.00 H new ATOM 0 HB2 SER A 4 -21.097 -11.901 -1.128 1.00 0.00 H new ATOM 0 HB3 SER A 4 -22.813 -11.580 -1.282 1.00 0.00 H new ATOM 0 HG SER A 4 -22.071 -13.147 -2.831 1.00 0.00 H new ATOM 58 N PRO A 5 -22.509 -8.666 -0.188 1.00 0.00 N ATOM 59 CA PRO A 5 -22.461 -7.804 1.002 1.00 0.00 C ATOM 60 C PRO A 5 -21.758 -8.463 2.191 1.00 0.00 C ATOM 61 O PRO A 5 -21.137 -7.777 3.000 1.00 0.00 O ATOM 62 CB PRO A 5 -23.941 -7.515 1.320 1.00 0.00 C ATOM 63 CG PRO A 5 -24.721 -8.508 0.518 1.00 0.00 C ATOM 64 CD PRO A 5 -23.885 -8.810 -0.695 1.00 0.00 C ATOM 0 HA PRO A 5 -21.880 -6.901 0.813 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -24.143 -7.625 2.385 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -24.209 -6.494 1.049 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -24.911 -9.413 1.096 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -25.691 -8.102 0.232 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -24.073 -9.814 -1.076 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -24.090 -8.116 -1.510 1.00 0.00 H new ATOM 72 N GLU A 6 -21.846 -9.789 2.285 1.00 0.00 N ATOM 73 CA GLU A 6 -21.162 -10.533 3.346 1.00 0.00 C ATOM 74 C GLU A 6 -19.646 -10.316 3.256 1.00 0.00 C ATOM 75 O GLU A 6 -18.973 -10.094 4.263 1.00 0.00 O ATOM 76 CB GLU A 6 -21.495 -12.029 3.239 1.00 0.00 C ATOM 77 CG GLU A 6 -20.909 -12.892 4.358 1.00 0.00 C ATOM 78 CD GLU A 6 -21.414 -12.509 5.745 1.00 0.00 C ATOM 79 OE1 GLU A 6 -22.628 -12.252 5.895 1.00 0.00 O ATOM 80 OE2 GLU A 6 -20.598 -12.473 6.692 1.00 0.00 O ATOM 0 H GLU A 6 -22.383 -10.371 1.642 1.00 0.00 H new ATOM 0 HA GLU A 6 -21.507 -10.165 4.312 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -22.579 -12.148 3.236 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -21.131 -12.402 2.282 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -21.153 -13.937 4.166 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -19.822 -12.809 4.339 1.00 0.00 H new ATOM 87 N GLU A 7 -19.127 -10.364 2.035 1.00 0.00 N ATOM 88 CA GLU A 7 -17.701 -10.165 1.789 1.00 0.00 C ATOM 89 C GLU A 7 -17.357 -8.673 1.883 1.00 0.00 C ATOM 90 O GLU A 7 -16.267 -8.298 2.312 1.00 0.00 O ATOM 91 CB GLU A 7 -17.328 -10.720 0.406 1.00 0.00 C ATOM 92 CG GLU A 7 -15.849 -10.604 0.051 1.00 0.00 C ATOM 93 CD GLU A 7 -14.966 -11.572 0.825 1.00 0.00 C ATOM 94 OE1 GLU A 7 -14.546 -11.245 1.951 1.00 0.00 O ATOM 95 OE2 GLU A 7 -14.669 -12.664 0.293 1.00 0.00 O ATOM 0 H GLU A 7 -19.676 -10.540 1.193 1.00 0.00 H new ATOM 0 HA GLU A 7 -17.127 -10.701 2.545 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -17.617 -11.770 0.361 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -17.912 -10.195 -0.351 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -15.724 -10.783 -1.017 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -15.515 -9.585 0.244 1.00 0.00 H new ATOM 102 N ALA A 8 -18.311 -7.828 1.493 1.00 0.00 N ATOM 103 CA ALA A 8 -18.130 -6.378 1.544 1.00 0.00 C ATOM 104 C ALA A 8 -17.962 -5.901 2.987 1.00 0.00 C ATOM 105 O ALA A 8 -17.020 -5.169 3.305 1.00 0.00 O ATOM 106 CB ALA A 8 -19.302 -5.670 0.873 1.00 0.00 C ATOM 0 H ALA A 8 -19.220 -8.124 1.137 1.00 0.00 H new ATOM 0 HA ALA A 8 -17.220 -6.127 0.999 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -19.151 -4.592 0.920 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -19.367 -5.982 -0.169 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -20.227 -5.930 1.388 1.00 0.00 H new ATOM 112 N VAL A 9 -18.871 -6.330 3.865 1.00 0.00 N ATOM 113 CA VAL A 9 -18.783 -5.983 5.284 1.00 0.00 C ATOM 114 C VAL A 9 -17.561 -6.647 5.907 1.00 0.00 C ATOM 115 O VAL A 9 -16.983 -6.132 6.866 1.00 0.00 O ATOM 116 CB VAL A 9 -20.055 -6.384 6.079 1.00 0.00 C ATOM 117 CG1 VAL A 9 -21.288 -5.671 5.529 1.00 0.00 C ATOM 118 CG2 VAL A 9 -20.256 -7.900 6.080 1.00 0.00 C ATOM 0 H VAL A 9 -19.671 -6.914 3.621 1.00 0.00 H new ATOM 0 HA VAL A 9 -18.693 -4.898 5.341 1.00 0.00 H new ATOM 0 HB VAL A 9 -19.913 -6.068 7.113 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -22.166 -5.968 6.102 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -21.151 -4.593 5.609 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -21.429 -5.942 4.483 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -21.155 -8.147 6.645 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -20.363 -8.254 5.054 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -19.394 -8.381 6.541 1.00 0.00 H new ATOM 128 N LYS A 10 -17.169 -7.791 5.343 1.00 0.00 N ATOM 129 CA LYS A 10 -15.974 -8.501 5.782 1.00 0.00 C ATOM 130 C LYS A 10 -14.762 -7.580 5.656 1.00 0.00 C ATOM 131 O LYS A 10 -13.987 -7.420 6.595 1.00 0.00 O ATOM 132 CB LYS A 10 -15.767 -9.770 4.937 1.00 0.00 C ATOM 133 CG LYS A 10 -14.980 -10.875 5.638 1.00 0.00 C ATOM 134 CD LYS A 10 -15.776 -11.489 6.791 1.00 0.00 C ATOM 135 CE LYS A 10 -17.118 -12.045 6.319 1.00 0.00 C ATOM 136 NZ LYS A 10 -17.927 -12.586 7.442 1.00 0.00 N ATOM 0 H LYS A 10 -17.667 -8.245 4.577 1.00 0.00 H new ATOM 0 HA LYS A 10 -16.095 -8.797 6.824 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -16.742 -10.163 4.649 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -15.248 -9.499 4.018 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -14.723 -11.652 4.918 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -14.042 -10.470 6.018 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -15.193 -12.287 7.251 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -15.945 -10.734 7.559 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -17.679 -11.258 5.816 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -16.945 -12.832 5.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -18.937 -12.526 7.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -17.669 -13.580 7.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -17.742 -12.031 8.302 1.00 0.00 H new ATOM 150 N TRP A 11 -14.630 -6.948 4.491 1.00 0.00 N ATOM 151 CA TRP A 11 -13.541 -6.006 4.239 1.00 0.00 C ATOM 152 C TRP A 11 -13.590 -4.852 5.238 1.00 0.00 C ATOM 153 O TRP A 11 -12.554 -4.324 5.644 1.00 0.00 O ATOM 154 CB TRP A 11 -13.623 -5.454 2.810 1.00 0.00 C ATOM 155 CG TRP A 11 -13.574 -6.506 1.740 1.00 0.00 C ATOM 156 CD1 TRP A 11 -13.135 -7.794 1.867 1.00 0.00 C ATOM 157 CD2 TRP A 11 -13.970 -6.348 0.373 1.00 0.00 C ATOM 158 NE1 TRP A 11 -13.246 -8.449 0.666 1.00 0.00 N ATOM 159 CE2 TRP A 11 -13.752 -7.582 -0.268 1.00 0.00 C ATOM 160 CE3 TRP A 11 -14.489 -5.286 -0.371 1.00 0.00 C ATOM 161 CZ2 TRP A 11 -14.037 -7.780 -1.617 1.00 0.00 C ATOM 162 CZ3 TRP A 11 -14.770 -5.485 -1.709 1.00 0.00 C ATOM 163 CH2 TRP A 11 -14.544 -6.723 -2.320 1.00 0.00 C ATOM 0 H TRP A 11 -15.267 -7.072 3.704 1.00 0.00 H new ATOM 0 HA TRP A 11 -12.599 -6.541 4.358 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -14.548 -4.887 2.704 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -12.801 -4.755 2.655 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -12.756 -8.232 2.779 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -12.993 -9.422 0.496 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -14.667 -4.326 0.091 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -13.864 -8.735 -2.091 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -15.171 -4.670 -2.294 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -14.775 -6.846 -3.368 1.00 0.00 H new ATOM 174 N GLY A 12 -14.805 -4.485 5.639 1.00 0.00 N ATOM 175 CA GLY A 12 -14.998 -3.381 6.565 1.00 0.00 C ATOM 176 C GLY A 12 -14.502 -3.691 7.965 1.00 0.00 C ATOM 177 O GLY A 12 -14.473 -2.810 8.832 1.00 0.00 O ATOM 0 H GLY A 12 -15.667 -4.938 5.335 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -14.477 -2.501 6.187 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -16.058 -3.130 6.608 1.00 0.00 H new ATOM 181 N GLU A 13 -14.128 -4.946 8.199 1.00 0.00 N ATOM 182 CA GLU A 13 -13.587 -5.353 9.489 1.00 0.00 C ATOM 183 C GLU A 13 -12.119 -4.954 9.606 1.00 0.00 C ATOM 184 O GLU A 13 -11.649 -4.616 10.694 1.00 0.00 O ATOM 185 CB GLU A 13 -13.720 -6.865 9.686 1.00 0.00 C ATOM 186 CG GLU A 13 -15.146 -7.388 9.562 1.00 0.00 C ATOM 187 CD GLU A 13 -15.241 -8.876 9.849 1.00 0.00 C ATOM 188 OE1 GLU A 13 -14.524 -9.659 9.191 1.00 0.00 O ATOM 189 OE2 GLU A 13 -16.008 -9.270 10.754 1.00 0.00 O ATOM 0 H GLU A 13 -14.190 -5.697 7.512 1.00 0.00 H new ATOM 0 HA GLU A 13 -14.161 -4.844 10.263 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -13.094 -7.372 8.952 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -13.333 -7.127 10.671 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -15.791 -6.845 10.253 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -15.517 -7.190 8.557 1.00 0.00 H new ATOM 196 N SER A 14 -11.397 -4.994 8.488 1.00 0.00 N ATOM 197 CA SER A 14 -9.966 -4.717 8.498 1.00 0.00 C ATOM 198 C SER A 14 -9.453 -4.365 7.104 1.00 0.00 C ATOM 199 O SER A 14 -9.681 -5.100 6.138 1.00 0.00 O ATOM 200 CB SER A 14 -9.194 -5.929 9.043 1.00 0.00 C ATOM 201 OG SER A 14 -7.805 -5.662 9.120 1.00 0.00 O ATOM 0 H SER A 14 -11.779 -5.215 7.568 1.00 0.00 H new ATOM 0 HA SER A 14 -9.801 -3.857 9.148 1.00 0.00 H new ATOM 0 HB2 SER A 14 -9.572 -6.189 10.032 1.00 0.00 H new ATOM 0 HB3 SER A 14 -9.366 -6.792 8.399 1.00 0.00 H new ATOM 0 HG SER A 14 -7.361 -6.381 9.616 1.00 0.00 H new ATOM 207 N PHE A 15 -8.734 -3.249 7.020 1.00 0.00 N ATOM 208 CA PHE A 15 -8.092 -2.813 5.781 1.00 0.00 C ATOM 209 C PHE A 15 -7.131 -3.899 5.291 1.00 0.00 C ATOM 210 O PHE A 15 -6.888 -4.044 4.091 1.00 0.00 O ATOM 211 CB PHE A 15 -7.347 -1.490 6.034 1.00 0.00 C ATOM 212 CG PHE A 15 -6.770 -0.825 4.804 1.00 0.00 C ATOM 213 CD1 PHE A 15 -7.464 -0.820 3.603 1.00 0.00 C ATOM 214 CD2 PHE A 15 -5.537 -0.190 4.858 1.00 0.00 C ATOM 215 CE1 PHE A 15 -6.939 -0.201 2.486 1.00 0.00 C ATOM 216 CE2 PHE A 15 -5.009 0.432 3.742 1.00 0.00 C ATOM 217 CZ PHE A 15 -5.710 0.426 2.555 1.00 0.00 C ATOM 0 H PHE A 15 -8.579 -2.621 7.808 1.00 0.00 H new ATOM 0 HA PHE A 15 -8.843 -2.648 5.009 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -8.033 -0.793 6.515 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -6.537 -1.678 6.739 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -8.426 -1.306 3.541 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -4.982 -0.182 5.785 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -7.490 -0.207 1.557 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -4.048 0.922 3.800 1.00 0.00 H new ATOM 0 HZ PHE A 15 -5.299 0.910 1.681 1.00 0.00 H new ATOM 227 N ASP A 16 -6.619 -4.679 6.241 1.00 0.00 N ATOM 228 CA ASP A 16 -5.719 -5.793 5.946 1.00 0.00 C ATOM 229 C ASP A 16 -6.404 -6.832 5.054 1.00 0.00 C ATOM 230 O ASP A 16 -5.853 -7.250 4.026 1.00 0.00 O ATOM 231 CB ASP A 16 -5.248 -6.441 7.257 1.00 0.00 C ATOM 232 CG ASP A 16 -4.390 -7.681 7.040 1.00 0.00 C ATOM 233 OD1 ASP A 16 -3.198 -7.538 6.690 1.00 0.00 O ATOM 234 OD2 ASP A 16 -4.899 -8.809 7.226 1.00 0.00 O ATOM 0 H ASP A 16 -6.815 -4.557 7.235 1.00 0.00 H new ATOM 0 HA ASP A 16 -4.855 -5.406 5.406 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -4.680 -5.710 7.832 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -6.119 -6.710 7.855 1.00 0.00 H new ATOM 239 N LYS A 17 -7.622 -7.233 5.427 1.00 0.00 N ATOM 240 CA LYS A 17 -8.331 -8.269 4.678 1.00 0.00 C ATOM 241 C LYS A 17 -8.983 -7.683 3.425 1.00 0.00 C ATOM 242 O LYS A 17 -9.439 -8.423 2.551 1.00 0.00 O ATOM 243 CB LYS A 17 -9.363 -9.006 5.552 1.00 0.00 C ATOM 244 CG LYS A 17 -10.464 -8.122 6.129 1.00 0.00 C ATOM 245 CD LYS A 17 -11.502 -8.944 6.898 1.00 0.00 C ATOM 246 CE LYS A 17 -10.911 -9.639 8.119 1.00 0.00 C ATOM 247 NZ LYS A 17 -11.916 -10.494 8.806 1.00 0.00 N ATOM 0 H LYS A 17 -8.130 -6.862 6.230 1.00 0.00 H new ATOM 0 HA LYS A 17 -7.594 -9.008 4.364 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -9.824 -9.794 4.957 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -8.839 -9.493 6.375 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -10.024 -7.378 6.793 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -10.955 -7.578 5.322 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -12.315 -8.291 7.214 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -11.934 -9.691 6.232 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -10.061 -10.250 7.814 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -10.532 -8.891 8.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -11.592 -10.703 9.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -12.827 -9.994 8.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -12.032 -11.384 8.280 1.00 0.00 H new ATOM 261 N LEU A 18 -9.022 -6.354 3.340 1.00 0.00 N ATOM 262 CA LEU A 18 -9.428 -5.678 2.109 1.00 0.00 C ATOM 263 C LEU A 18 -8.354 -5.895 1.041 1.00 0.00 C ATOM 264 O LEU A 18 -8.655 -6.242 -0.102 1.00 0.00 O ATOM 265 CB LEU A 18 -9.644 -4.176 2.361 1.00 0.00 C ATOM 266 CG LEU A 18 -10.006 -3.337 1.120 1.00 0.00 C ATOM 267 CD1 LEU A 18 -11.292 -3.842 0.472 1.00 0.00 C ATOM 268 CD2 LEU A 18 -10.136 -1.860 1.485 1.00 0.00 C ATOM 0 H LEU A 18 -8.778 -5.726 4.106 1.00 0.00 H new ATOM 0 HA LEU A 18 -10.373 -6.097 1.762 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -10.437 -4.060 3.099 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -8.736 -3.766 2.802 1.00 0.00 H new ATOM 0 HG LEU A 18 -9.197 -3.444 0.397 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -11.523 -3.232 -0.401 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -11.162 -4.880 0.165 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -12.111 -3.776 1.188 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -10.392 -1.286 0.594 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -10.919 -1.738 2.233 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -9.190 -1.500 1.889 1.00 0.00 H new ATOM 280 N LEU A 19 -7.096 -5.709 1.444 1.00 0.00 N ATOM 281 CA LEU A 19 -5.946 -5.953 0.570 1.00 0.00 C ATOM 282 C LEU A 19 -5.887 -7.420 0.146 1.00 0.00 C ATOM 283 O LEU A 19 -5.404 -7.744 -0.943 1.00 0.00 O ATOM 284 CB LEU A 19 -4.637 -5.557 1.281 1.00 0.00 C ATOM 285 CG LEU A 19 -4.214 -4.081 1.142 1.00 0.00 C ATOM 286 CD1 LEU A 19 -5.358 -3.135 1.494 1.00 0.00 C ATOM 287 CD2 LEU A 19 -2.994 -3.792 2.018 1.00 0.00 C ATOM 0 H LEU A 19 -6.846 -5.387 2.379 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.064 -5.339 -0.323 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.739 -5.787 2.342 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.833 -6.183 0.895 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.950 -3.908 0.099 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -5.024 -2.103 1.385 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.199 -3.317 0.825 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -5.670 -3.308 2.524 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.707 -2.746 1.909 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.239 -3.994 3.061 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.165 -4.429 1.709 1.00 0.00 H new ATOM 299 N SER A 20 -6.377 -8.303 1.017 1.00 0.00 N ATOM 300 CA SER A 20 -6.415 -9.738 0.727 1.00 0.00 C ATOM 301 C SER A 20 -7.220 -10.025 -0.551 1.00 0.00 C ATOM 302 O SER A 20 -7.052 -11.070 -1.181 1.00 0.00 O ATOM 303 CB SER A 20 -7.006 -10.505 1.921 1.00 0.00 C ATOM 304 OG SER A 20 -6.893 -11.911 1.748 1.00 0.00 O ATOM 0 H SER A 20 -6.754 -8.050 1.930 1.00 0.00 H new ATOM 0 HA SER A 20 -5.393 -10.079 0.561 1.00 0.00 H new ATOM 0 HB2 SER A 20 -6.492 -10.208 2.835 1.00 0.00 H new ATOM 0 HB3 SER A 20 -8.055 -10.236 2.043 1.00 0.00 H new ATOM 0 HG SER A 20 -7.277 -12.368 2.525 1.00 0.00 H new ATOM 310 N HIS A 21 -8.087 -9.089 -0.939 1.00 0.00 N ATOM 311 CA HIS A 21 -8.861 -9.208 -2.176 1.00 0.00 C ATOM 312 C HIS A 21 -8.253 -8.325 -3.264 1.00 0.00 C ATOM 313 O HIS A 21 -7.884 -7.182 -3.003 1.00 0.00 O ATOM 314 CB HIS A 21 -10.330 -8.814 -1.939 1.00 0.00 C ATOM 315 CG HIS A 21 -11.266 -9.975 -1.775 1.00 0.00 C ATOM 316 ND1 HIS A 21 -12.332 -10.198 -2.620 1.00 0.00 N ATOM 317 CD2 HIS A 21 -11.311 -10.963 -0.851 1.00 0.00 C ATOM 318 CE1 HIS A 21 -12.992 -11.265 -2.222 1.00 0.00 C ATOM 319 NE2 HIS A 21 -12.396 -11.751 -1.150 1.00 0.00 N ATOM 0 H HIS A 21 -8.272 -8.236 -0.412 1.00 0.00 H new ATOM 0 HA HIS A 21 -8.830 -10.248 -2.502 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -10.386 -8.189 -1.048 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -10.670 -8.205 -2.777 1.00 0.00 H new ATOM 0 HD1 HIS A 21 -12.572 -9.625 -3.429 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -10.622 -11.105 -0.031 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -13.873 -11.674 -2.694 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -12.692 -12.576 -0.629 1.00 0.00 H new ATOM 328 N ARG A 22 -8.149 -8.856 -4.481 1.00 0.00 N ATOM 329 CA ARG A 22 -7.637 -8.093 -5.621 1.00 0.00 C ATOM 330 C ARG A 22 -8.663 -7.051 -6.058 1.00 0.00 C ATOM 331 O ARG A 22 -8.336 -5.881 -6.260 1.00 0.00 O ATOM 332 CB ARG A 22 -7.300 -9.024 -6.799 1.00 0.00 C ATOM 333 CG ARG A 22 -5.969 -9.775 -6.682 1.00 0.00 C ATOM 334 CD ARG A 22 -5.899 -10.697 -5.464 1.00 0.00 C ATOM 335 NE ARG A 22 -5.494 -9.988 -4.243 1.00 0.00 N ATOM 336 CZ ARG A 22 -4.673 -10.500 -3.321 1.00 0.00 C ATOM 337 NH1 ARG A 22 -4.211 -11.738 -3.448 1.00 0.00 N ATOM 338 NH2 ARG A 22 -4.328 -9.786 -2.258 1.00 0.00 N ATOM 0 H ARG A 22 -8.413 -9.815 -4.705 1.00 0.00 H new ATOM 0 HA ARG A 22 -6.723 -7.588 -5.310 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -8.102 -9.755 -6.904 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -7.285 -8.433 -7.715 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -5.812 -10.365 -7.585 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -5.155 -9.052 -6.629 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -6.874 -11.159 -5.306 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -5.193 -11.503 -5.663 1.00 0.00 H new ATOM 0 HE ARG A 22 -5.861 -9.049 -4.090 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -4.482 -12.304 -4.252 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -3.585 -12.124 -2.741 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -4.690 -8.840 -2.140 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -3.701 -10.183 -1.558 1.00 0.00 H new ATOM 352 N ASP A 23 -9.910 -7.491 -6.192 1.00 0.00 N ATOM 353 CA ASP A 23 -11.007 -6.606 -6.581 1.00 0.00 C ATOM 354 C ASP A 23 -11.325 -5.629 -5.451 1.00 0.00 C ATOM 355 O ASP A 23 -11.692 -4.480 -5.697 1.00 0.00 O ATOM 356 CB ASP A 23 -12.257 -7.416 -6.980 1.00 0.00 C ATOM 357 CG ASP A 23 -12.810 -8.305 -5.868 1.00 0.00 C ATOM 358 OD1 ASP A 23 -12.053 -8.670 -4.939 1.00 0.00 O ATOM 359 OD2 ASP A 23 -14.003 -8.672 -5.940 1.00 0.00 O ATOM 0 H ASP A 23 -10.189 -8.460 -6.036 1.00 0.00 H new ATOM 0 HA ASP A 23 -10.693 -6.033 -7.453 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -13.037 -6.725 -7.299 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -12.013 -8.039 -7.840 1.00 0.00 H new ATOM 364 N GLY A 24 -11.168 -6.097 -4.213 1.00 0.00 N ATOM 365 CA GLY A 24 -11.300 -5.225 -3.056 1.00 0.00 C ATOM 366 C GLY A 24 -10.228 -4.154 -3.046 1.00 0.00 C ATOM 367 O GLY A 24 -10.509 -2.975 -2.810 1.00 0.00 O ATOM 0 H GLY A 24 -10.951 -7.069 -3.991 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -12.284 -4.757 -3.062 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -11.234 -5.817 -2.143 1.00 0.00 H new ATOM 371 N LEU A 25 -8.995 -4.577 -3.310 1.00 0.00 N ATOM 372 CA LEU A 25 -7.865 -3.666 -3.466 1.00 0.00 C ATOM 373 C LEU A 25 -8.190 -2.599 -4.505 1.00 0.00 C ATOM 374 O LEU A 25 -8.059 -1.399 -4.255 1.00 0.00 O ATOM 375 CB LEU A 25 -6.625 -4.446 -3.921 1.00 0.00 C ATOM 376 CG LEU A 25 -5.405 -3.587 -4.304 1.00 0.00 C ATOM 377 CD1 LEU A 25 -4.538 -3.288 -3.084 1.00 0.00 C ATOM 378 CD2 LEU A 25 -4.601 -4.258 -5.416 1.00 0.00 C ATOM 0 H LEU A 25 -8.751 -5.561 -3.422 1.00 0.00 H new ATOM 0 HA LEU A 25 -7.668 -3.189 -2.506 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -6.332 -5.127 -3.122 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -6.898 -5.061 -4.779 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.766 -2.632 -4.686 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.684 -2.680 -3.384 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -5.126 -2.746 -2.343 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.183 -4.224 -2.652 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.744 -3.635 -5.672 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.252 -5.233 -5.075 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.232 -4.385 -6.295 1.00 0.00 H new ATOM 390 N GLU A 26 -8.618 -3.060 -5.678 1.00 0.00 N ATOM 391 CA GLU A 26 -8.922 -2.175 -6.790 1.00 0.00 C ATOM 392 C GLU A 26 -10.034 -1.199 -6.409 1.00 0.00 C ATOM 393 O GLU A 26 -9.954 -0.012 -6.716 1.00 0.00 O ATOM 394 CB GLU A 26 -9.315 -2.981 -8.033 1.00 0.00 C ATOM 395 CG GLU A 26 -9.514 -2.116 -9.278 1.00 0.00 C ATOM 396 CD GLU A 26 -10.170 -2.859 -10.431 1.00 0.00 C ATOM 397 OE1 GLU A 26 -9.506 -3.711 -11.056 1.00 0.00 O ATOM 398 OE2 GLU A 26 -11.356 -2.579 -10.726 1.00 0.00 O ATOM 0 H GLU A 26 -8.762 -4.050 -5.880 1.00 0.00 H new ATOM 0 HA GLU A 26 -8.026 -1.601 -7.025 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -8.543 -3.724 -8.235 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -10.236 -3.527 -7.827 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -10.126 -1.252 -9.017 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -8.547 -1.735 -9.605 1.00 0.00 H new ATOM 405 N ALA A 27 -11.060 -1.699 -5.726 1.00 0.00 N ATOM 406 CA ALA A 27 -12.159 -0.855 -5.262 1.00 0.00 C ATOM 407 C ALA A 27 -11.617 0.298 -4.420 1.00 0.00 C ATOM 408 O ALA A 27 -11.972 1.468 -4.626 1.00 0.00 O ATOM 409 CB ALA A 27 -13.167 -1.680 -4.467 1.00 0.00 C ATOM 0 H ALA A 27 -11.154 -2.685 -5.481 1.00 0.00 H new ATOM 0 HA ALA A 27 -12.672 -0.438 -6.129 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -13.979 -1.036 -4.129 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -13.570 -2.470 -5.100 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -12.673 -2.124 -3.603 1.00 0.00 H new ATOM 415 N PHE A 28 -10.729 -0.040 -3.488 1.00 0.00 N ATOM 416 CA PHE A 28 -10.099 0.958 -2.636 1.00 0.00 C ATOM 417 C PHE A 28 -9.324 1.969 -3.475 1.00 0.00 C ATOM 418 O PHE A 28 -9.483 3.179 -3.302 1.00 0.00 O ATOM 419 CB PHE A 28 -9.164 0.299 -1.612 1.00 0.00 C ATOM 420 CG PHE A 28 -8.420 1.302 -0.761 1.00 0.00 C ATOM 421 CD1 PHE A 28 -9.061 1.962 0.279 1.00 0.00 C ATOM 422 CD2 PHE A 28 -7.086 1.600 -1.013 1.00 0.00 C ATOM 423 CE1 PHE A 28 -8.389 2.890 1.048 1.00 0.00 C ATOM 424 CE2 PHE A 28 -6.412 2.531 -0.247 1.00 0.00 C ATOM 425 CZ PHE A 28 -7.064 3.177 0.785 1.00 0.00 C ATOM 0 H PHE A 28 -10.431 -0.998 -3.306 1.00 0.00 H new ATOM 0 HA PHE A 28 -10.889 1.480 -2.095 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -9.747 -0.357 -0.965 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -8.444 -0.329 -2.137 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -10.098 1.746 0.489 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -6.570 1.097 -1.818 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -8.900 3.392 1.856 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -5.376 2.754 -0.455 1.00 0.00 H new ATOM 0 HZ PHE A 28 -6.539 3.905 1.385 1.00 0.00 H new ATOM 435 N THR A 29 -8.494 1.477 -4.396 1.00 0.00 N ATOM 436 CA THR A 29 -7.670 2.367 -5.201 1.00 0.00 C ATOM 437 C THR A 29 -8.542 3.227 -6.113 1.00 0.00 C ATOM 438 O THR A 29 -8.131 4.312 -6.506 1.00 0.00 O ATOM 439 CB THR A 29 -6.592 1.621 -6.032 1.00 0.00 C ATOM 440 OG1 THR A 29 -5.609 2.558 -6.493 1.00 0.00 O ATOM 441 CG2 THR A 29 -7.188 0.899 -7.234 1.00 0.00 C ATOM 0 H THR A 29 -8.378 0.484 -4.598 1.00 0.00 H new ATOM 0 HA THR A 29 -7.134 3.007 -4.500 1.00 0.00 H new ATOM 0 HB THR A 29 -6.139 0.874 -5.381 1.00 0.00 H new ATOM 0 HG1 THR A 29 -5.179 2.210 -7.302 1.00 0.00 H new ATOM 0 HG21 THR A 29 -6.395 0.392 -7.784 1.00 0.00 H new ATOM 0 HG22 THR A 29 -7.919 0.166 -6.892 1.00 0.00 H new ATOM 0 HG23 THR A 29 -7.677 1.622 -7.887 1.00 0.00 H new ATOM 449 N ARG A 30 -9.751 2.754 -6.439 1.00 0.00 N ATOM 450 CA ARG A 30 -10.707 3.571 -7.188 1.00 0.00 C ATOM 451 C ARG A 30 -10.970 4.857 -6.417 1.00 0.00 C ATOM 452 O ARG A 30 -10.896 5.960 -6.965 1.00 0.00 O ATOM 453 CB ARG A 30 -12.036 2.826 -7.417 1.00 0.00 C ATOM 454 CG ARG A 30 -11.928 1.584 -8.296 1.00 0.00 C ATOM 455 CD ARG A 30 -11.392 1.908 -9.681 1.00 0.00 C ATOM 456 NE ARG A 30 -11.332 0.721 -10.532 1.00 0.00 N ATOM 457 CZ ARG A 30 -11.145 0.758 -11.849 1.00 0.00 C ATOM 458 NH1 ARG A 30 -10.988 1.921 -12.475 1.00 0.00 N ATOM 459 NH2 ARG A 30 -11.113 -0.371 -12.540 1.00 0.00 N ATOM 0 H ARG A 30 -10.086 1.821 -6.198 1.00 0.00 H new ATOM 0 HA ARG A 30 -10.278 3.792 -8.165 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -12.445 2.535 -6.449 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -12.749 3.514 -7.871 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -11.274 0.856 -7.816 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -12.909 1.119 -8.387 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -12.027 2.659 -10.150 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -10.396 2.343 -9.593 1.00 0.00 H new ATOM 0 HE ARG A 30 -11.440 -0.192 -10.089 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -11.010 2.792 -11.945 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -10.845 1.941 -13.485 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -11.231 -1.265 -12.063 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -10.970 -0.347 -13.550 1.00 0.00 H new ATOM 473 N PHE A 31 -11.255 4.698 -5.130 1.00 0.00 N ATOM 474 CA PHE A 31 -11.498 5.834 -4.251 1.00 0.00 C ATOM 475 C PHE A 31 -10.203 6.617 -4.009 1.00 0.00 C ATOM 476 O PHE A 31 -10.217 7.839 -3.880 1.00 0.00 O ATOM 477 CB PHE A 31 -12.090 5.354 -2.920 1.00 0.00 C ATOM 478 CG PHE A 31 -12.419 6.473 -1.964 1.00 0.00 C ATOM 479 CD1 PHE A 31 -13.538 7.268 -2.167 1.00 0.00 C ATOM 480 CD2 PHE A 31 -11.607 6.735 -0.869 1.00 0.00 C ATOM 481 CE1 PHE A 31 -13.841 8.298 -1.299 1.00 0.00 C ATOM 482 CE2 PHE A 31 -11.906 7.764 0.001 1.00 0.00 C ATOM 483 CZ PHE A 31 -13.025 8.545 -0.214 1.00 0.00 C ATOM 0 H PHE A 31 -11.324 3.790 -4.671 1.00 0.00 H new ATOM 0 HA PHE A 31 -12.214 6.499 -4.734 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -12.996 4.782 -3.121 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -11.383 4.676 -2.442 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -14.180 7.079 -3.015 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -10.731 6.127 -0.696 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -14.715 8.909 -1.469 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -11.266 7.958 0.849 1.00 0.00 H new ATOM 0 HZ PHE A 31 -13.261 9.349 0.467 1.00 0.00 H new ATOM 493 N LEU A 32 -9.085 5.904 -3.968 1.00 0.00 N ATOM 494 CA LEU A 32 -7.785 6.520 -3.707 1.00 0.00 C ATOM 495 C LEU A 32 -7.309 7.331 -4.921 1.00 0.00 C ATOM 496 O LEU A 32 -6.539 8.288 -4.785 1.00 0.00 O ATOM 497 CB LEU A 32 -6.756 5.438 -3.341 1.00 0.00 C ATOM 498 CG LEU A 32 -5.417 5.956 -2.786 1.00 0.00 C ATOM 499 CD1 LEU A 32 -5.625 6.710 -1.474 1.00 0.00 C ATOM 500 CD2 LEU A 32 -4.431 4.806 -2.595 1.00 0.00 C ATOM 0 H LEU A 32 -9.050 4.895 -4.112 1.00 0.00 H new ATOM 0 HA LEU A 32 -7.889 7.206 -2.867 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -7.202 4.772 -2.602 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -6.554 4.839 -4.229 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.997 6.651 -3.513 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.664 7.066 -1.102 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.286 7.560 -1.644 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -6.074 6.043 -0.738 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.491 5.194 -2.202 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.847 4.083 -1.893 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.250 4.319 -3.553 1.00 0.00 H new ATOM 512 N LYS A 33 -7.778 6.948 -6.109 1.00 0.00 N ATOM 513 CA LYS A 33 -7.413 7.636 -7.349 1.00 0.00 C ATOM 514 C LYS A 33 -8.148 8.968 -7.475 1.00 0.00 C ATOM 515 O LYS A 33 -7.575 9.958 -7.930 1.00 0.00 O ATOM 516 CB LYS A 33 -7.720 6.759 -8.574 1.00 0.00 C ATOM 517 CG LYS A 33 -6.761 5.584 -8.759 1.00 0.00 C ATOM 518 CD LYS A 33 -7.189 4.672 -9.908 1.00 0.00 C ATOM 519 CE LYS A 33 -7.222 5.412 -11.242 1.00 0.00 C ATOM 520 NZ LYS A 33 -5.886 5.945 -11.622 1.00 0.00 N ATOM 0 H LYS A 33 -8.414 6.162 -6.239 1.00 0.00 H new ATOM 0 HA LYS A 33 -6.341 7.829 -7.312 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -8.736 6.374 -8.486 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -7.691 7.381 -9.469 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -5.757 5.962 -8.951 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -6.713 5.006 -7.836 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -6.501 3.829 -9.978 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -8.176 4.261 -9.697 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -7.577 4.737 -12.021 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -7.936 6.234 -11.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -5.945 6.395 -12.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -5.579 6.647 -10.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -5.198 5.166 -11.656 1.00 0.00 H new ATOM 534 N THR A 34 -9.414 8.997 -7.057 1.00 0.00 N ATOM 535 CA THR A 34 -10.234 10.200 -7.197 1.00 0.00 C ATOM 536 C THR A 34 -9.725 11.316 -6.279 1.00 0.00 C ATOM 537 O THR A 34 -10.074 12.484 -6.453 1.00 0.00 O ATOM 538 CB THR A 34 -11.735 9.917 -6.916 1.00 0.00 C ATOM 539 OG1 THR A 34 -12.530 11.039 -7.320 1.00 0.00 O ATOM 540 CG2 THR A 34 -11.993 9.622 -5.441 1.00 0.00 C ATOM 0 H THR A 34 -9.891 8.207 -6.622 1.00 0.00 H new ATOM 0 HA THR A 34 -10.147 10.527 -8.233 1.00 0.00 H new ATOM 0 HB THR A 34 -12.013 9.034 -7.492 1.00 0.00 H new ATOM 0 HG1 THR A 34 -12.056 11.870 -7.107 1.00 0.00 H new ATOM 0 HG21 THR A 34 -13.055 9.430 -5.289 1.00 0.00 H new ATOM 0 HG22 THR A 34 -11.419 8.746 -5.139 1.00 0.00 H new ATOM 0 HG23 THR A 34 -11.690 10.479 -4.840 1.00 0.00 H new ATOM 548 N GLU A 35 -8.892 10.945 -5.306 1.00 0.00 N ATOM 549 CA GLU A 35 -8.250 11.916 -4.415 1.00 0.00 C ATOM 550 C GLU A 35 -6.751 12.005 -4.719 1.00 0.00 C ATOM 551 O GLU A 35 -5.955 12.396 -3.862 1.00 0.00 O ATOM 552 CB GLU A 35 -8.487 11.540 -2.946 1.00 0.00 C ATOM 553 CG GLU A 35 -8.074 10.118 -2.586 1.00 0.00 C ATOM 554 CD GLU A 35 -8.150 9.854 -1.092 1.00 0.00 C ATOM 555 OE1 GLU A 35 -9.272 9.708 -0.559 1.00 0.00 O ATOM 556 OE2 GLU A 35 -7.090 9.823 -0.435 1.00 0.00 O ATOM 0 H GLU A 35 -8.644 9.974 -5.113 1.00 0.00 H new ATOM 0 HA GLU A 35 -8.695 12.896 -4.589 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -7.938 12.236 -2.312 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -9.545 11.667 -2.717 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -8.718 9.412 -3.110 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -7.056 9.939 -2.933 1.00 0.00 H new ATOM 563 N PHE A 36 -6.399 11.633 -5.958 1.00 0.00 N ATOM 564 CA PHE A 36 -5.034 11.737 -6.508 1.00 0.00 C ATOM 565 C PHE A 36 -3.944 11.246 -5.544 1.00 0.00 C ATOM 566 O PHE A 36 -2.783 11.639 -5.659 1.00 0.00 O ATOM 567 CB PHE A 36 -4.734 13.177 -6.997 1.00 0.00 C ATOM 568 CG PHE A 36 -4.744 14.252 -5.928 1.00 0.00 C ATOM 569 CD1 PHE A 36 -3.603 14.525 -5.182 1.00 0.00 C ATOM 570 CD2 PHE A 36 -5.891 14.995 -5.679 1.00 0.00 C ATOM 571 CE1 PHE A 36 -3.609 15.509 -4.211 1.00 0.00 C ATOM 572 CE2 PHE A 36 -5.899 15.980 -4.709 1.00 0.00 C ATOM 573 CZ PHE A 36 -4.758 16.237 -3.975 1.00 0.00 C ATOM 0 H PHE A 36 -7.067 11.243 -6.622 1.00 0.00 H new ATOM 0 HA PHE A 36 -5.007 11.063 -7.364 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -3.757 13.180 -7.480 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -5.467 13.442 -7.759 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -2.700 13.961 -5.363 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -6.787 14.801 -6.250 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -2.716 15.708 -3.638 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -6.798 16.549 -4.525 1.00 0.00 H new ATOM 0 HZ PHE A 36 -4.764 17.007 -3.217 1.00 0.00 H new ATOM 583 N SER A 37 -4.300 10.342 -4.641 1.00 0.00 N ATOM 584 CA SER A 37 -3.346 9.819 -3.664 1.00 0.00 C ATOM 585 C SER A 37 -2.980 8.372 -4.005 1.00 0.00 C ATOM 586 O SER A 37 -2.473 7.628 -3.161 1.00 0.00 O ATOM 587 CB SER A 37 -3.942 9.919 -2.250 1.00 0.00 C ATOM 588 OG SER A 37 -2.963 9.684 -1.248 1.00 0.00 O ATOM 0 H SER A 37 -5.240 9.954 -4.562 1.00 0.00 H new ATOM 0 HA SER A 37 -2.433 10.414 -3.697 1.00 0.00 H new ATOM 0 HB2 SER A 37 -4.377 10.908 -2.108 1.00 0.00 H new ATOM 0 HB3 SER A 37 -4.751 9.196 -2.144 1.00 0.00 H new ATOM 0 HG SER A 37 -2.632 8.765 -1.323 1.00 0.00 H new ATOM 594 N GLU A 38 -3.211 7.989 -5.264 1.00 0.00 N ATOM 595 CA GLU A 38 -2.979 6.615 -5.715 1.00 0.00 C ATOM 596 C GLU A 38 -1.503 6.232 -5.613 1.00 0.00 C ATOM 597 O GLU A 38 -1.168 5.050 -5.538 1.00 0.00 O ATOM 598 CB GLU A 38 -3.462 6.425 -7.161 1.00 0.00 C ATOM 599 CG GLU A 38 -2.736 7.299 -8.180 1.00 0.00 C ATOM 600 CD GLU A 38 -3.092 6.947 -9.615 1.00 0.00 C ATOM 601 OE1 GLU A 38 -4.168 7.369 -10.088 1.00 0.00 O ATOM 602 OE2 GLU A 38 -2.300 6.242 -10.280 1.00 0.00 O ATOM 0 H GLU A 38 -3.560 8.614 -5.991 1.00 0.00 H new ATOM 0 HA GLU A 38 -3.551 5.961 -5.057 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -3.336 5.379 -7.440 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -4.529 6.641 -7.208 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.981 8.345 -7.995 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.660 7.194 -8.041 1.00 0.00 H new ATOM 609 N GLU A 39 -0.625 7.232 -5.603 1.00 0.00 N ATOM 610 CA GLU A 39 0.816 6.992 -5.518 1.00 0.00 C ATOM 611 C GLU A 39 1.160 6.097 -4.326 1.00 0.00 C ATOM 612 O GLU A 39 2.159 5.382 -4.347 1.00 0.00 O ATOM 613 CB GLU A 39 1.584 8.321 -5.435 1.00 0.00 C ATOM 614 CG GLU A 39 1.157 9.225 -4.283 1.00 0.00 C ATOM 615 CD GLU A 39 1.935 10.532 -4.258 1.00 0.00 C ATOM 616 OE1 GLU A 39 1.514 11.495 -4.940 1.00 0.00 O ATOM 617 OE2 GLU A 39 2.986 10.593 -3.587 1.00 0.00 O ATOM 0 H GLU A 39 -0.885 8.217 -5.653 1.00 0.00 H new ATOM 0 HA GLU A 39 1.121 6.472 -6.426 1.00 0.00 H new ATOM 0 HB2 GLU A 39 2.648 8.106 -5.337 1.00 0.00 H new ATOM 0 HB3 GLU A 39 1.453 8.861 -6.373 1.00 0.00 H new ATOM 0 HG2 GLU A 39 0.092 9.440 -4.368 1.00 0.00 H new ATOM 0 HG3 GLU A 39 1.302 8.700 -3.339 1.00 0.00 H new ATOM 624 N ASN A 40 0.309 6.125 -3.300 1.00 0.00 N ATOM 625 CA ASN A 40 0.493 5.282 -2.118 1.00 0.00 C ATOM 626 C ASN A 40 0.307 3.808 -2.479 1.00 0.00 C ATOM 627 O ASN A 40 1.153 2.960 -2.160 1.00 0.00 O ATOM 628 CB ASN A 40 -0.509 5.661 -1.014 1.00 0.00 C ATOM 629 CG ASN A 40 -0.509 7.140 -0.657 1.00 0.00 C ATOM 630 OD1 ASN A 40 -1.527 7.673 -0.220 1.00 0.00 O ATOM 631 ND2 ASN A 40 0.619 7.816 -0.837 1.00 0.00 N ATOM 0 H ASN A 40 -0.516 6.724 -3.264 1.00 0.00 H new ATOM 0 HA ASN A 40 1.507 5.442 -1.750 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -1.511 5.375 -1.334 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -0.283 5.082 -0.119 1.00 0.00 H new ATOM 0 HD21 ASN A 40 0.660 8.810 -0.611 1.00 0.00 H new ATOM 0 HD22 ASN A 40 1.445 7.342 -1.202 1.00 0.00 H new ATOM 638 N ILE A 41 -0.800 3.517 -3.168 1.00 0.00 N ATOM 639 CA ILE A 41 -1.148 2.145 -3.518 1.00 0.00 C ATOM 640 C ILE A 41 -0.086 1.582 -4.453 1.00 0.00 C ATOM 641 O ILE A 41 0.382 0.462 -4.276 1.00 0.00 O ATOM 642 CB ILE A 41 -2.567 2.043 -4.175 1.00 0.00 C ATOM 643 CG1 ILE A 41 -3.162 0.632 -4.000 1.00 0.00 C ATOM 644 CG2 ILE A 41 -2.541 2.414 -5.659 1.00 0.00 C ATOM 645 CD1 ILE A 41 -3.633 0.340 -2.591 1.00 0.00 C ATOM 0 H ILE A 41 -1.468 4.216 -3.493 1.00 0.00 H new ATOM 0 HA ILE A 41 -1.183 1.559 -2.600 1.00 0.00 H new ATOM 0 HB ILE A 41 -3.202 2.762 -3.658 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -4.001 0.514 -4.686 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -2.412 -0.107 -4.283 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -3.546 2.329 -6.073 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -2.188 3.439 -5.772 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -1.871 1.739 -6.191 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -4.039 -0.671 -2.545 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.793 0.425 -1.902 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -4.407 1.055 -2.310 1.00 0.00 H new ATOM 657 N GLU A 42 0.334 2.399 -5.414 1.00 0.00 N ATOM 658 CA GLU A 42 1.315 1.983 -6.401 1.00 0.00 C ATOM 659 C GLU A 42 2.697 1.862 -5.756 1.00 0.00 C ATOM 660 O GLU A 42 3.548 1.097 -6.221 1.00 0.00 O ATOM 661 CB GLU A 42 1.350 2.979 -7.567 1.00 0.00 C ATOM 662 CG GLU A 42 2.107 2.461 -8.782 1.00 0.00 C ATOM 663 CD GLU A 42 2.151 3.459 -9.931 1.00 0.00 C ATOM 664 OE1 GLU A 42 1.088 3.743 -10.526 1.00 0.00 O ATOM 665 OE2 GLU A 42 3.253 3.952 -10.258 1.00 0.00 O ATOM 0 H GLU A 42 0.006 3.358 -5.527 1.00 0.00 H new ATOM 0 HA GLU A 42 1.029 1.006 -6.790 1.00 0.00 H new ATOM 0 HB2 GLU A 42 0.328 3.220 -7.860 1.00 0.00 H new ATOM 0 HB3 GLU A 42 1.812 3.907 -7.229 1.00 0.00 H new ATOM 0 HG2 GLU A 42 3.126 2.211 -8.488 1.00 0.00 H new ATOM 0 HG3 GLU A 42 1.639 1.539 -9.128 1.00 0.00 H new ATOM 672 N PHE A 43 2.899 2.618 -4.673 1.00 0.00 N ATOM 673 CA PHE A 43 4.160 2.608 -3.937 1.00 0.00 C ATOM 674 C PHE A 43 4.462 1.217 -3.391 1.00 0.00 C ATOM 675 O PHE A 43 5.396 0.550 -3.852 1.00 0.00 O ATOM 676 CB PHE A 43 4.122 3.640 -2.795 1.00 0.00 C ATOM 677 CG PHE A 43 5.311 3.590 -1.866 1.00 0.00 C ATOM 678 CD1 PHE A 43 6.594 3.815 -2.342 1.00 0.00 C ATOM 679 CD2 PHE A 43 5.139 3.322 -0.516 1.00 0.00 C ATOM 680 CE1 PHE A 43 7.680 3.772 -1.486 1.00 0.00 C ATOM 681 CE2 PHE A 43 6.221 3.281 0.340 1.00 0.00 C ATOM 682 CZ PHE A 43 7.493 3.507 -0.144 1.00 0.00 C ATOM 0 H PHE A 43 2.197 3.249 -4.286 1.00 0.00 H new ATOM 0 HA PHE A 43 4.959 2.880 -4.627 1.00 0.00 H new ATOM 0 HB2 PHE A 43 4.056 4.639 -3.227 1.00 0.00 H new ATOM 0 HB3 PHE A 43 3.214 3.484 -2.212 1.00 0.00 H new ATOM 0 HD1 PHE A 43 6.747 4.026 -3.390 1.00 0.00 H new ATOM 0 HD2 PHE A 43 4.146 3.143 -0.130 1.00 0.00 H new ATOM 0 HE1 PHE A 43 8.675 3.946 -1.868 1.00 0.00 H new ATOM 0 HE2 PHE A 43 6.072 3.072 1.389 1.00 0.00 H new ATOM 0 HZ PHE A 43 8.340 3.477 0.525 1.00 0.00 H new ATOM 692 N TRP A 44 3.667 0.751 -2.427 1.00 0.00 N ATOM 693 CA TRP A 44 3.982 -0.525 -1.793 1.00 0.00 C ATOM 694 C TRP A 44 3.625 -1.709 -2.686 1.00 0.00 C ATOM 695 O TRP A 44 4.226 -2.769 -2.556 1.00 0.00 O ATOM 696 CB TRP A 44 3.399 -0.668 -0.373 1.00 0.00 C ATOM 697 CG TRP A 44 1.953 -0.326 -0.195 1.00 0.00 C ATOM 698 CD1 TRP A 44 1.449 0.822 0.348 1.00 0.00 C ATOM 699 CD2 TRP A 44 0.826 -1.152 -0.504 1.00 0.00 C ATOM 700 NE1 TRP A 44 0.082 0.759 0.398 1.00 0.00 N ATOM 701 CE2 TRP A 44 -0.327 -0.441 -0.126 1.00 0.00 C ATOM 702 CE3 TRP A 44 0.681 -2.424 -1.067 1.00 0.00 C ATOM 703 CZ2 TRP A 44 -1.606 -0.959 -0.291 1.00 0.00 C ATOM 704 CZ3 TRP A 44 -0.591 -2.936 -1.232 1.00 0.00 C ATOM 705 CH2 TRP A 44 -1.719 -2.205 -0.845 1.00 0.00 C ATOM 0 H TRP A 44 2.830 1.219 -2.079 1.00 0.00 H new ATOM 0 HA TRP A 44 5.064 -0.532 -1.664 1.00 0.00 H new ATOM 0 HB2 TRP A 44 3.546 -1.698 -0.049 1.00 0.00 H new ATOM 0 HB3 TRP A 44 3.982 -0.036 0.298 1.00 0.00 H new ATOM 0 HD1 TRP A 44 2.042 1.658 0.688 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -0.532 1.486 0.765 1.00 0.00 H new ATOM 0 HE3 TRP A 44 1.547 -2.995 -1.367 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -2.479 -0.398 0.007 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -0.717 -3.917 -1.667 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -2.700 -2.633 -0.987 1.00 0.00 H new ATOM 716 N ILE A 45 2.693 -1.529 -3.626 1.00 0.00 N ATOM 717 CA ILE A 45 2.430 -2.575 -4.621 1.00 0.00 C ATOM 718 C ILE A 45 3.715 -2.893 -5.390 1.00 0.00 C ATOM 719 O ILE A 45 4.007 -4.058 -5.684 1.00 0.00 O ATOM 720 CB ILE A 45 1.290 -2.188 -5.608 1.00 0.00 C ATOM 721 CG1 ILE A 45 -0.082 -2.333 -4.920 1.00 0.00 C ATOM 722 CG2 ILE A 45 1.341 -3.036 -6.880 1.00 0.00 C ATOM 723 CD1 ILE A 45 -1.258 -1.974 -5.807 1.00 0.00 C ATOM 0 H ILE A 45 2.120 -0.691 -3.720 1.00 0.00 H new ATOM 0 HA ILE A 45 2.093 -3.461 -4.082 1.00 0.00 H new ATOM 0 HB ILE A 45 1.434 -1.147 -5.897 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -0.199 -3.361 -4.578 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -0.101 -1.698 -4.034 1.00 0.00 H new ATOM 0 HG21 ILE A 45 0.532 -2.740 -7.547 1.00 0.00 H new ATOM 0 HG22 ILE A 45 2.297 -2.884 -7.380 1.00 0.00 H new ATOM 0 HG23 ILE A 45 1.230 -4.089 -6.620 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -2.186 -2.102 -5.250 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -1.168 -0.936 -6.128 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -1.267 -2.625 -6.681 1.00 0.00 H new ATOM 735 N ALA A 46 4.494 -1.854 -5.685 1.00 0.00 N ATOM 736 CA ALA A 46 5.796 -2.027 -6.323 1.00 0.00 C ATOM 737 C ALA A 46 6.749 -2.756 -5.378 1.00 0.00 C ATOM 738 O ALA A 46 7.556 -3.587 -5.802 1.00 0.00 O ATOM 739 CB ALA A 46 6.377 -0.678 -6.738 1.00 0.00 C ATOM 0 H ALA A 46 4.245 -0.884 -5.492 1.00 0.00 H new ATOM 0 HA ALA A 46 5.666 -2.629 -7.222 1.00 0.00 H new ATOM 0 HB1 ALA A 46 7.347 -0.830 -7.211 1.00 0.00 H new ATOM 0 HB2 ALA A 46 5.702 -0.192 -7.442 1.00 0.00 H new ATOM 0 HB3 ALA A 46 6.498 -0.047 -5.857 1.00 0.00 H new ATOM 745 N CYS A 47 6.642 -2.444 -4.089 1.00 0.00 N ATOM 746 CA CYS A 47 7.456 -3.101 -3.072 1.00 0.00 C ATOM 747 C CYS A 47 7.001 -4.546 -2.843 1.00 0.00 C ATOM 748 O CYS A 47 7.740 -5.354 -2.273 1.00 0.00 O ATOM 749 CB CYS A 47 7.428 -2.301 -1.769 1.00 0.00 C ATOM 750 SG CYS A 47 8.122 -0.638 -1.930 1.00 0.00 S ATOM 0 H CYS A 47 6.000 -1.740 -3.725 1.00 0.00 H new ATOM 0 HA CYS A 47 8.485 -3.137 -3.431 1.00 0.00 H new ATOM 0 HB2 CYS A 47 6.398 -2.224 -1.421 1.00 0.00 H new ATOM 0 HB3 CYS A 47 7.983 -2.846 -1.005 1.00 0.00 H new ATOM 0 HG CYS A 47 7.390 0.204 -1.262 1.00 0.00 H new ATOM 756 N GLU A 48 5.790 -4.884 -3.284 1.00 0.00 N ATOM 757 CA GLU A 48 5.366 -6.277 -3.273 1.00 0.00 C ATOM 758 C GLU A 48 6.087 -7.018 -4.394 1.00 0.00 C ATOM 759 O GLU A 48 6.491 -8.162 -4.226 1.00 0.00 O ATOM 760 CB GLU A 48 3.845 -6.432 -3.414 1.00 0.00 C ATOM 761 CG GLU A 48 3.038 -5.548 -2.472 1.00 0.00 C ATOM 762 CD GLU A 48 3.452 -5.714 -1.021 1.00 0.00 C ATOM 763 OE1 GLU A 48 3.038 -6.706 -0.388 1.00 0.00 O ATOM 764 OE2 GLU A 48 4.222 -4.872 -0.509 1.00 0.00 O ATOM 0 H GLU A 48 5.100 -4.226 -3.646 1.00 0.00 H new ATOM 0 HA GLU A 48 5.629 -6.706 -2.306 1.00 0.00 H new ATOM 0 HB2 GLU A 48 3.561 -6.203 -4.441 1.00 0.00 H new ATOM 0 HB3 GLU A 48 3.579 -7.474 -3.234 1.00 0.00 H new ATOM 0 HG2 GLU A 48 3.160 -4.505 -2.764 1.00 0.00 H new ATOM 0 HG3 GLU A 48 1.979 -5.786 -2.574 1.00 0.00 H new ATOM 771 N ASP A 49 6.274 -6.346 -5.534 1.00 0.00 N ATOM 772 CA ASP A 49 7.101 -6.893 -6.617 1.00 0.00 C ATOM 773 C ASP A 49 8.513 -7.139 -6.103 1.00 0.00 C ATOM 774 O ASP A 49 9.218 -8.032 -6.576 1.00 0.00 O ATOM 775 CB ASP A 49 7.154 -5.949 -7.827 1.00 0.00 C ATOM 776 CG ASP A 49 5.894 -5.983 -8.676 1.00 0.00 C ATOM 777 OD1 ASP A 49 5.793 -6.852 -9.573 1.00 0.00 O ATOM 778 OD2 ASP A 49 5.006 -5.133 -8.468 1.00 0.00 O ATOM 0 H ASP A 49 5.869 -5.431 -5.731 1.00 0.00 H new ATOM 0 HA ASP A 49 6.649 -7.830 -6.943 1.00 0.00 H new ATOM 0 HB2 ASP A 49 7.319 -4.930 -7.476 1.00 0.00 H new ATOM 0 HB3 ASP A 49 8.009 -6.215 -8.449 1.00 0.00 H new ATOM 783 N PHE A 50 8.922 -6.329 -5.131 1.00 0.00 N ATOM 784 CA PHE A 50 10.195 -6.525 -4.450 1.00 0.00 C ATOM 785 C PHE A 50 10.179 -7.849 -3.683 1.00 0.00 C ATOM 786 O PHE A 50 11.158 -8.592 -3.698 1.00 0.00 O ATOM 787 CB PHE A 50 10.484 -5.336 -3.515 1.00 0.00 C ATOM 788 CG PHE A 50 11.753 -5.453 -2.708 1.00 0.00 C ATOM 789 CD1 PHE A 50 12.993 -5.325 -3.315 1.00 0.00 C ATOM 790 CD2 PHE A 50 11.705 -5.670 -1.336 1.00 0.00 C ATOM 791 CE1 PHE A 50 14.155 -5.413 -2.575 1.00 0.00 C ATOM 792 CE2 PHE A 50 12.865 -5.762 -0.594 1.00 0.00 C ATOM 793 CZ PHE A 50 14.092 -5.634 -1.215 1.00 0.00 C ATOM 0 H PHE A 50 8.387 -5.528 -4.797 1.00 0.00 H new ATOM 0 HA PHE A 50 10.996 -6.573 -5.187 1.00 0.00 H new ATOM 0 HB2 PHE A 50 10.535 -4.426 -4.114 1.00 0.00 H new ATOM 0 HB3 PHE A 50 9.645 -5.220 -2.829 1.00 0.00 H new ATOM 0 HD1 PHE A 50 13.050 -5.154 -4.380 1.00 0.00 H new ATOM 0 HD2 PHE A 50 10.748 -5.768 -0.845 1.00 0.00 H new ATOM 0 HE1 PHE A 50 15.114 -5.309 -3.061 1.00 0.00 H new ATOM 0 HE2 PHE A 50 12.813 -5.934 0.471 1.00 0.00 H new ATOM 0 HZ PHE A 50 15.001 -5.707 -0.636 1.00 0.00 H new ATOM 803 N LYS A 51 9.045 -8.151 -3.044 1.00 0.00 N ATOM 804 CA LYS A 51 8.848 -9.449 -2.389 1.00 0.00 C ATOM 805 C LYS A 51 8.991 -10.586 -3.410 1.00 0.00 C ATOM 806 O LYS A 51 9.419 -11.695 -3.074 1.00 0.00 O ATOM 807 CB LYS A 51 7.453 -9.534 -1.741 1.00 0.00 C ATOM 808 CG LYS A 51 7.187 -8.541 -0.608 1.00 0.00 C ATOM 809 CD LYS A 51 5.760 -8.703 -0.069 1.00 0.00 C ATOM 810 CE LYS A 51 5.531 -7.946 1.236 1.00 0.00 C ATOM 811 NZ LYS A 51 5.522 -6.473 1.063 1.00 0.00 N ATOM 0 H LYS A 51 8.250 -7.516 -2.966 1.00 0.00 H new ATOM 0 HA LYS A 51 9.608 -9.548 -1.614 1.00 0.00 H new ATOM 0 HB2 LYS A 51 6.702 -9.382 -2.517 1.00 0.00 H new ATOM 0 HB3 LYS A 51 7.313 -10.544 -1.355 1.00 0.00 H new ATOM 0 HG2 LYS A 51 7.905 -8.699 0.197 1.00 0.00 H new ATOM 0 HG3 LYS A 51 7.331 -7.523 -0.969 1.00 0.00 H new ATOM 0 HD2 LYS A 51 5.051 -8.349 -0.818 1.00 0.00 H new ATOM 0 HD3 LYS A 51 5.554 -9.762 0.090 1.00 0.00 H new ATOM 0 HE2 LYS A 51 4.581 -8.260 1.669 1.00 0.00 H new ATOM 0 HE3 LYS A 51 6.311 -8.217 1.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 5.618 -6.014 1.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 6.315 -6.190 0.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 4.626 -6.181 0.623 1.00 0.00 H new ATOM 825 N LYS A 52 8.606 -10.298 -4.654 1.00 0.00 N ATOM 826 CA LYS A 52 8.675 -11.274 -5.747 1.00 0.00 C ATOM 827 C LYS A 52 10.122 -11.564 -6.146 1.00 0.00 C ATOM 828 O LYS A 52 10.416 -12.627 -6.696 1.00 0.00 O ATOM 829 CB LYS A 52 7.902 -10.770 -6.982 1.00 0.00 C ATOM 830 CG LYS A 52 6.413 -11.134 -7.042 1.00 0.00 C ATOM 831 CD LYS A 52 5.537 -10.365 -6.048 1.00 0.00 C ATOM 832 CE LYS A 52 5.565 -10.954 -4.641 1.00 0.00 C ATOM 833 NZ LYS A 52 5.040 -12.344 -4.592 1.00 0.00 N ATOM 0 H LYS A 52 8.239 -9.388 -4.933 1.00 0.00 H new ATOM 0 HA LYS A 52 8.218 -12.195 -5.383 1.00 0.00 H new ATOM 0 HB2 LYS A 52 7.992 -9.684 -7.023 1.00 0.00 H new ATOM 0 HB3 LYS A 52 8.388 -11.164 -7.875 1.00 0.00 H new ATOM 0 HG2 LYS A 52 6.046 -10.949 -8.051 1.00 0.00 H new ATOM 0 HG3 LYS A 52 6.304 -12.202 -6.854 1.00 0.00 H new ATOM 0 HD2 LYS A 52 5.870 -9.328 -6.007 1.00 0.00 H new ATOM 0 HD3 LYS A 52 4.509 -10.356 -6.411 1.00 0.00 H new ATOM 0 HE2 LYS A 52 6.589 -10.943 -4.267 1.00 0.00 H new ATOM 0 HE3 LYS A 52 4.976 -10.323 -3.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 4.794 -12.588 -3.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 4.192 -12.416 -5.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 5.766 -13.002 -4.941 1.00 0.00 H new ATOM 847 N SER A 53 11.013 -10.615 -5.879 1.00 0.00 N ATOM 848 CA SER A 53 12.414 -10.749 -6.264 1.00 0.00 C ATOM 849 C SER A 53 13.047 -11.957 -5.598 1.00 0.00 C ATOM 850 O SER A 53 12.973 -12.139 -4.381 1.00 0.00 O ATOM 851 CB SER A 53 13.189 -9.476 -5.923 1.00 0.00 C ATOM 852 OG SER A 53 12.605 -8.339 -6.547 1.00 0.00 O ATOM 0 H SER A 53 10.790 -9.744 -5.397 1.00 0.00 H new ATOM 0 HA SER A 53 12.456 -10.899 -7.343 1.00 0.00 H new ATOM 0 HB2 SER A 53 13.204 -9.334 -4.842 1.00 0.00 H new ATOM 0 HB3 SER A 53 14.225 -9.580 -6.245 1.00 0.00 H new ATOM 0 HG SER A 53 11.824 -8.618 -7.069 1.00 0.00 H new ATOM 858 N LYS A 54 13.653 -12.785 -6.424 1.00 0.00 N ATOM 859 CA LYS A 54 14.243 -14.031 -5.994 1.00 0.00 C ATOM 860 C LYS A 54 15.766 -13.952 -6.087 1.00 0.00 C ATOM 861 O LYS A 54 16.310 -13.575 -7.127 1.00 0.00 O ATOM 862 CB LYS A 54 13.698 -15.158 -6.877 1.00 0.00 C ATOM 863 CG LYS A 54 14.357 -16.500 -6.639 1.00 0.00 C ATOM 864 CD LYS A 54 14.076 -17.046 -5.240 1.00 0.00 C ATOM 865 CE LYS A 54 14.657 -18.443 -5.050 1.00 0.00 C ATOM 866 NZ LYS A 54 16.122 -18.478 -5.305 1.00 0.00 N ATOM 0 H LYS A 54 13.749 -12.607 -7.424 1.00 0.00 H new ATOM 0 HA LYS A 54 13.984 -14.230 -4.954 1.00 0.00 H new ATOM 0 HB2 LYS A 54 12.626 -15.255 -6.704 1.00 0.00 H new ATOM 0 HB3 LYS A 54 13.828 -14.881 -7.923 1.00 0.00 H new ATOM 0 HG2 LYS A 54 14.002 -17.213 -7.383 1.00 0.00 H new ATOM 0 HG3 LYS A 54 15.434 -16.403 -6.779 1.00 0.00 H new ATOM 0 HD2 LYS A 54 14.499 -16.372 -4.495 1.00 0.00 H new ATOM 0 HD3 LYS A 54 13.000 -17.074 -5.070 1.00 0.00 H new ATOM 0 HE2 LYS A 54 14.458 -18.783 -4.034 1.00 0.00 H new ATOM 0 HE3 LYS A 54 14.155 -19.139 -5.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 16.505 -19.397 -5.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 16.301 -18.345 -6.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 16.586 -17.717 -4.769 1.00 0.00 H new ATOM 880 N GLY A 55 16.444 -14.301 -4.999 1.00 0.00 N ATOM 881 CA GLY A 55 17.895 -14.230 -4.960 1.00 0.00 C ATOM 882 C GLY A 55 18.377 -12.987 -4.233 1.00 0.00 C ATOM 883 O GLY A 55 17.895 -11.887 -4.511 1.00 0.00 O ATOM 0 H GLY A 55 16.012 -14.634 -4.137 1.00 0.00 H new ATOM 0 HA2 GLY A 55 18.290 -15.117 -4.465 1.00 0.00 H new ATOM 0 HA3 GLY A 55 18.287 -14.232 -5.977 1.00 0.00 H new ATOM 887 N PRO A 56 19.330 -13.127 -3.288 1.00 0.00 N ATOM 888 CA PRO A 56 19.844 -11.997 -2.503 1.00 0.00 C ATOM 889 C PRO A 56 20.354 -10.868 -3.398 1.00 0.00 C ATOM 890 O PRO A 56 20.022 -9.702 -3.183 1.00 0.00 O ATOM 891 CB PRO A 56 20.987 -12.608 -1.669 1.00 0.00 C ATOM 892 CG PRO A 56 21.281 -13.925 -2.311 1.00 0.00 C ATOM 893 CD PRO A 56 19.982 -14.391 -2.909 1.00 0.00 C ATOM 0 HA PRO A 56 19.070 -11.541 -1.885 1.00 0.00 H new ATOM 0 HB2 PRO A 56 21.866 -11.963 -1.673 1.00 0.00 H new ATOM 0 HB3 PRO A 56 20.690 -12.735 -0.628 1.00 0.00 H new ATOM 0 HG2 PRO A 56 22.049 -13.823 -3.077 1.00 0.00 H new ATOM 0 HG3 PRO A 56 21.654 -14.642 -1.579 1.00 0.00 H new ATOM 0 HD2 PRO A 56 20.142 -15.039 -3.771 1.00 0.00 H new ATOM 0 HD3 PRO A 56 19.386 -14.956 -2.192 1.00 0.00 H new ATOM 901 N GLN A 57 21.141 -11.225 -4.413 1.00 0.00 N ATOM 902 CA GLN A 57 21.681 -10.246 -5.360 1.00 0.00 C ATOM 903 C GLN A 57 20.551 -9.406 -5.956 1.00 0.00 C ATOM 904 O GLN A 57 20.621 -8.174 -5.986 1.00 0.00 O ATOM 905 CB GLN A 57 22.456 -10.959 -6.477 1.00 0.00 C ATOM 906 CG GLN A 57 23.656 -11.757 -5.981 1.00 0.00 C ATOM 907 CD GLN A 57 24.336 -12.552 -7.085 1.00 0.00 C ATOM 908 OE1 GLN A 57 24.331 -12.157 -8.254 1.00 0.00 O ATOM 909 NE2 GLN A 57 24.924 -13.680 -6.728 1.00 0.00 N ATOM 0 H GLN A 57 21.420 -12.188 -4.602 1.00 0.00 H new ATOM 0 HA GLN A 57 22.364 -9.585 -4.826 1.00 0.00 H new ATOM 0 HB2 GLN A 57 21.779 -11.630 -7.005 1.00 0.00 H new ATOM 0 HB3 GLN A 57 22.798 -10.218 -7.199 1.00 0.00 H new ATOM 0 HG2 GLN A 57 24.379 -11.075 -5.533 1.00 0.00 H new ATOM 0 HG3 GLN A 57 23.332 -12.440 -5.195 1.00 0.00 H new ATOM 0 HE21 GLN A 57 24.909 -13.976 -5.752 1.00 0.00 H new ATOM 0 HE22 GLN A 57 25.393 -14.254 -7.428 1.00 0.00 H new ATOM 918 N GLN A 58 19.504 -10.093 -6.403 1.00 0.00 N ATOM 919 CA GLN A 58 18.314 -9.447 -6.943 1.00 0.00 C ATOM 920 C GLN A 58 17.742 -8.463 -5.924 1.00 0.00 C ATOM 921 O GLN A 58 17.367 -7.342 -6.266 1.00 0.00 O ATOM 922 CB GLN A 58 17.267 -10.511 -7.307 1.00 0.00 C ATOM 923 CG GLN A 58 16.056 -9.975 -8.061 1.00 0.00 C ATOM 924 CD GLN A 58 16.403 -9.402 -9.428 1.00 0.00 C ATOM 925 OE1 GLN A 58 15.731 -8.494 -9.916 1.00 0.00 O ATOM 926 NE2 GLN A 58 17.442 -9.931 -10.060 1.00 0.00 N ATOM 0 H GLN A 58 19.457 -11.112 -6.401 1.00 0.00 H new ATOM 0 HA GLN A 58 18.583 -8.894 -7.843 1.00 0.00 H new ATOM 0 HB2 GLN A 58 17.745 -11.280 -7.913 1.00 0.00 H new ATOM 0 HB3 GLN A 58 16.925 -10.994 -6.392 1.00 0.00 H new ATOM 0 HG2 GLN A 58 15.329 -10.778 -8.185 1.00 0.00 H new ATOM 0 HG3 GLN A 58 15.577 -9.201 -7.461 1.00 0.00 H new ATOM 0 HE21 GLN A 58 17.976 -10.683 -9.624 1.00 0.00 H new ATOM 0 HE22 GLN A 58 17.708 -9.586 -10.982 1.00 0.00 H new ATOM 935 N ILE A 59 17.706 -8.889 -4.663 1.00 0.00 N ATOM 936 CA ILE A 59 17.200 -8.057 -3.573 1.00 0.00 C ATOM 937 C ILE A 59 18.029 -6.775 -3.429 1.00 0.00 C ATOM 938 O ILE A 59 17.478 -5.697 -3.208 1.00 0.00 O ATOM 939 CB ILE A 59 17.195 -8.835 -2.227 1.00 0.00 C ATOM 940 CG1 ILE A 59 16.279 -10.071 -2.320 1.00 0.00 C ATOM 941 CG2 ILE A 59 16.762 -7.934 -1.071 1.00 0.00 C ATOM 942 CD1 ILE A 59 14.826 -9.740 -2.602 1.00 0.00 C ATOM 0 H ILE A 59 18.024 -9.813 -4.369 1.00 0.00 H new ATOM 0 HA ILE A 59 16.174 -7.786 -3.821 1.00 0.00 H new ATOM 0 HB ILE A 59 18.213 -9.170 -2.029 1.00 0.00 H new ATOM 0 HG12 ILE A 59 16.651 -10.728 -3.106 1.00 0.00 H new ATOM 0 HG13 ILE A 59 16.340 -10.627 -1.385 1.00 0.00 H new ATOM 0 HG21 ILE A 59 16.768 -8.505 -0.143 1.00 0.00 H new ATOM 0 HG22 ILE A 59 17.452 -7.095 -0.985 1.00 0.00 H new ATOM 0 HG23 ILE A 59 15.756 -7.558 -1.259 1.00 0.00 H new ATOM 0 HD11 ILE A 59 14.246 -10.662 -2.653 1.00 0.00 H new ATOM 0 HD12 ILE A 59 14.435 -9.109 -1.804 1.00 0.00 H new ATOM 0 HD13 ILE A 59 14.751 -9.211 -3.552 1.00 0.00 H new ATOM 954 N HIS A 60 19.351 -6.893 -3.581 1.00 0.00 N ATOM 955 CA HIS A 60 20.249 -5.740 -3.449 1.00 0.00 C ATOM 956 C HIS A 60 19.933 -4.679 -4.507 1.00 0.00 C ATOM 957 O HIS A 60 19.673 -3.519 -4.177 1.00 0.00 O ATOM 958 CB HIS A 60 21.729 -6.159 -3.562 1.00 0.00 C ATOM 959 CG HIS A 60 22.259 -6.912 -2.374 1.00 0.00 C ATOM 960 ND1 HIS A 60 22.203 -8.227 -2.059 1.00 0.00 N flip ATOM 961 CD2 HIS A 60 22.959 -6.310 -1.348 1.00 0.00 C flip ATOM 962 CE1 HIS A 60 22.857 -8.389 -0.866 1.00 0.00 C flip ATOM 963 NE2 HIS A 60 23.304 -7.222 -0.457 1.00 0.00 N flip ATOM 0 H HIS A 60 19.823 -7.772 -3.795 1.00 0.00 H new ATOM 0 HA HIS A 60 20.085 -5.317 -2.458 1.00 0.00 H new ATOM 0 HB2 HIS A 60 21.851 -6.777 -4.451 1.00 0.00 H new ATOM 0 HB3 HIS A 60 22.336 -5.265 -3.709 1.00 0.00 H new ATOM 0 HD1 HIS A 60 21.757 -8.962 -2.608 1.00 0.00 H new ATOM 0 HD2 HIS A 60 23.189 -5.257 -1.284 1.00 0.00 H new ATOM 0 HE1 HIS A 60 22.985 -9.326 -0.345 1.00 0.00 H new ATOM 972 N LEU A 61 19.942 -5.085 -5.775 1.00 0.00 N ATOM 973 CA LEU A 61 19.736 -4.147 -6.880 1.00 0.00 C ATOM 974 C LEU A 61 18.304 -3.598 -6.887 1.00 0.00 C ATOM 975 O LEU A 61 18.080 -2.426 -7.207 1.00 0.00 O ATOM 976 CB LEU A 61 20.115 -4.801 -8.228 1.00 0.00 C ATOM 977 CG LEU A 61 19.424 -6.140 -8.569 1.00 0.00 C ATOM 978 CD1 LEU A 61 18.042 -5.920 -9.184 1.00 0.00 C ATOM 979 CD2 LEU A 61 20.299 -6.979 -9.500 1.00 0.00 C ATOM 0 H LEU A 61 20.089 -6.052 -6.064 1.00 0.00 H new ATOM 0 HA LEU A 61 20.398 -3.294 -6.733 1.00 0.00 H new ATOM 0 HB2 LEU A 61 19.893 -4.091 -9.025 1.00 0.00 H new ATOM 0 HB3 LEU A 61 21.193 -4.963 -8.236 1.00 0.00 H new ATOM 0 HG LEU A 61 19.287 -6.685 -7.635 1.00 0.00 H new ATOM 0 HD11 LEU A 61 17.587 -6.884 -9.411 1.00 0.00 H new ATOM 0 HD12 LEU A 61 17.412 -5.378 -8.479 1.00 0.00 H new ATOM 0 HD13 LEU A 61 18.140 -5.341 -10.102 1.00 0.00 H new ATOM 0 HD21 LEU A 61 19.793 -7.917 -9.727 1.00 0.00 H new ATOM 0 HD22 LEU A 61 20.477 -6.430 -10.425 1.00 0.00 H new ATOM 0 HD23 LEU A 61 21.251 -7.189 -9.013 1.00 0.00 H new ATOM 991 N LYS A 62 17.336 -4.437 -6.516 1.00 0.00 N ATOM 992 CA LYS A 62 15.944 -3.998 -6.410 1.00 0.00 C ATOM 993 C LYS A 62 15.804 -2.973 -5.289 1.00 0.00 C ATOM 994 O LYS A 62 15.066 -1.991 -5.415 1.00 0.00 O ATOM 995 CB LYS A 62 15.007 -5.188 -6.147 1.00 0.00 C ATOM 996 CG LYS A 62 14.771 -6.085 -7.358 1.00 0.00 C ATOM 997 CD LYS A 62 14.017 -5.353 -8.467 1.00 0.00 C ATOM 998 CE LYS A 62 13.609 -6.298 -9.591 1.00 0.00 C ATOM 999 NZ LYS A 62 12.685 -7.360 -9.110 1.00 0.00 N ATOM 0 H LYS A 62 17.489 -5.419 -6.285 1.00 0.00 H new ATOM 0 HA LYS A 62 15.660 -3.541 -7.358 1.00 0.00 H new ATOM 0 HB2 LYS A 62 15.423 -5.791 -5.340 1.00 0.00 H new ATOM 0 HB3 LYS A 62 14.046 -4.808 -5.799 1.00 0.00 H new ATOM 0 HG2 LYS A 62 15.728 -6.438 -7.741 1.00 0.00 H new ATOM 0 HG3 LYS A 62 14.205 -6.966 -7.054 1.00 0.00 H new ATOM 0 HD2 LYS A 62 13.129 -4.878 -8.051 1.00 0.00 H new ATOM 0 HD3 LYS A 62 14.644 -4.558 -8.870 1.00 0.00 H new ATOM 0 HE2 LYS A 62 13.127 -5.730 -10.387 1.00 0.00 H new ATOM 0 HE3 LYS A 62 14.499 -6.758 -10.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 12.984 -8.280 -9.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 12.706 -7.394 -8.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 11.718 -7.150 -9.430 1.00 0.00 H new ATOM 1013 N ALA A 63 16.529 -3.211 -4.200 1.00 0.00 N ATOM 1014 CA ALA A 63 16.506 -2.320 -3.051 1.00 0.00 C ATOM 1015 C ALA A 63 16.987 -0.928 -3.438 1.00 0.00 C ATOM 1016 O ALA A 63 16.327 0.060 -3.133 1.00 0.00 O ATOM 1017 CB ALA A 63 17.350 -2.886 -1.915 1.00 0.00 C ATOM 0 H ALA A 63 17.142 -4.019 -4.092 1.00 0.00 H new ATOM 0 HA ALA A 63 15.476 -2.239 -2.703 1.00 0.00 H new ATOM 0 HB1 ALA A 63 17.320 -2.205 -1.065 1.00 0.00 H new ATOM 0 HB2 ALA A 63 16.954 -3.857 -1.616 1.00 0.00 H new ATOM 0 HB3 ALA A 63 18.381 -3.002 -2.250 1.00 0.00 H new ATOM 1023 N LYS A 64 18.129 -0.862 -4.126 1.00 0.00 N ATOM 1024 CA LYS A 64 18.684 0.412 -4.593 1.00 0.00 C ATOM 1025 C LYS A 64 17.658 1.193 -5.420 1.00 0.00 C ATOM 1026 O LYS A 64 17.508 2.405 -5.249 1.00 0.00 O ATOM 1027 CB LYS A 64 19.960 0.177 -5.421 1.00 0.00 C ATOM 1028 CG LYS A 64 21.241 0.069 -4.592 1.00 0.00 C ATOM 1029 CD LYS A 64 21.642 1.420 -3.991 1.00 0.00 C ATOM 1030 CE LYS A 64 22.987 1.350 -3.268 1.00 0.00 C ATOM 1031 NZ LYS A 64 23.432 2.685 -2.780 1.00 0.00 N ATOM 0 H LYS A 64 18.689 -1.678 -4.373 1.00 0.00 H new ATOM 0 HA LYS A 64 18.938 1.005 -3.714 1.00 0.00 H new ATOM 0 HB2 LYS A 64 19.839 -0.738 -6.001 1.00 0.00 H new ATOM 0 HB3 LYS A 64 20.071 0.994 -6.134 1.00 0.00 H new ATOM 0 HG2 LYS A 64 21.097 -0.657 -3.792 1.00 0.00 H new ATOM 0 HG3 LYS A 64 22.050 -0.305 -5.219 1.00 0.00 H new ATOM 0 HD2 LYS A 64 21.695 2.167 -4.783 1.00 0.00 H new ATOM 0 HD3 LYS A 64 20.872 1.749 -3.293 1.00 0.00 H new ATOM 0 HE2 LYS A 64 22.909 0.664 -2.425 1.00 0.00 H new ATOM 0 HE3 LYS A 64 23.740 0.942 -3.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 24.348 2.590 -2.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 23.532 3.334 -3.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 22.727 3.064 -2.116 1.00 0.00 H new ATOM 1045 N ALA A 65 16.949 0.489 -6.302 1.00 0.00 N ATOM 1046 CA ALA A 65 15.938 1.111 -7.157 1.00 0.00 C ATOM 1047 C ALA A 65 14.904 1.870 -6.323 1.00 0.00 C ATOM 1048 O ALA A 65 14.770 3.092 -6.441 1.00 0.00 O ATOM 1049 CB ALA A 65 15.259 0.054 -8.025 1.00 0.00 C ATOM 0 H ALA A 65 17.057 -0.515 -6.443 1.00 0.00 H new ATOM 0 HA ALA A 65 16.435 1.831 -7.807 1.00 0.00 H new ATOM 0 HB1 ALA A 65 14.509 0.529 -8.657 1.00 0.00 H new ATOM 0 HB2 ALA A 65 16.004 -0.435 -8.652 1.00 0.00 H new ATOM 0 HB3 ALA A 65 14.779 -0.687 -7.386 1.00 0.00 H new ATOM 1055 N ILE A 66 14.200 1.142 -5.457 1.00 0.00 N ATOM 1056 CA ILE A 66 13.158 1.731 -4.612 1.00 0.00 C ATOM 1057 C ILE A 66 13.763 2.748 -3.642 1.00 0.00 C ATOM 1058 O ILE A 66 13.181 3.800 -3.371 1.00 0.00 O ATOM 1059 CB ILE A 66 12.404 0.638 -3.809 1.00 0.00 C ATOM 1060 CG1 ILE A 66 11.776 -0.393 -4.766 1.00 0.00 C ATOM 1061 CG2 ILE A 66 11.336 1.264 -2.908 1.00 0.00 C ATOM 1062 CD1 ILE A 66 11.045 -1.520 -4.064 1.00 0.00 C ATOM 0 H ILE A 66 14.332 0.140 -5.321 1.00 0.00 H new ATOM 0 HA ILE A 66 12.449 2.236 -5.268 1.00 0.00 H new ATOM 0 HB ILE A 66 13.122 0.123 -3.171 1.00 0.00 H new ATOM 0 HG12 ILE A 66 11.080 0.120 -5.430 1.00 0.00 H new ATOM 0 HG13 ILE A 66 12.561 -0.817 -5.392 1.00 0.00 H new ATOM 0 HG21 ILE A 66 10.821 0.479 -2.355 1.00 0.00 H new ATOM 0 HG22 ILE A 66 11.809 1.951 -2.207 1.00 0.00 H new ATOM 0 HG23 ILE A 66 10.617 1.808 -3.520 1.00 0.00 H new ATOM 0 HD11 ILE A 66 10.632 -2.203 -4.806 1.00 0.00 H new ATOM 0 HD12 ILE A 66 11.740 -2.060 -3.421 1.00 0.00 H new ATOM 0 HD13 ILE A 66 10.237 -1.108 -3.459 1.00 0.00 H new ATOM 1074 N TYR A 67 14.946 2.426 -3.149 1.00 0.00 N ATOM 1075 CA TYR A 67 15.646 3.245 -2.164 1.00 0.00 C ATOM 1076 C TYR A 67 15.862 4.669 -2.682 1.00 0.00 C ATOM 1077 O TYR A 67 15.401 5.638 -2.076 1.00 0.00 O ATOM 1078 CB TYR A 67 16.989 2.579 -1.833 1.00 0.00 C ATOM 1079 CG TYR A 67 17.864 3.322 -0.842 1.00 0.00 C ATOM 1080 CD1 TYR A 67 17.473 3.486 0.483 1.00 0.00 C ATOM 1081 CD2 TYR A 67 19.099 3.829 -1.229 1.00 0.00 C ATOM 1082 CE1 TYR A 67 18.288 4.134 1.389 1.00 0.00 C ATOM 1083 CE2 TYR A 67 19.915 4.480 -0.329 1.00 0.00 C ATOM 1084 CZ TYR A 67 19.508 4.630 0.978 1.00 0.00 C ATOM 1085 OH TYR A 67 20.329 5.270 1.878 1.00 0.00 O ATOM 0 H TYR A 67 15.455 1.584 -3.420 1.00 0.00 H new ATOM 0 HA TYR A 67 15.039 3.318 -1.262 1.00 0.00 H new ATOM 0 HB2 TYR A 67 16.792 1.582 -1.440 1.00 0.00 H new ATOM 0 HB3 TYR A 67 17.549 2.451 -2.760 1.00 0.00 H new ATOM 0 HD1 TYR A 67 16.518 3.101 0.807 1.00 0.00 H new ATOM 0 HD2 TYR A 67 19.425 3.711 -2.252 1.00 0.00 H new ATOM 0 HE1 TYR A 67 17.972 4.252 2.415 1.00 0.00 H new ATOM 0 HE2 TYR A 67 20.870 4.871 -0.648 1.00 0.00 H new ATOM 0 HH TYR A 67 21.150 5.557 1.426 1.00 0.00 H new ATOM 1095 N GLU A 68 16.530 4.774 -3.824 1.00 0.00 N ATOM 1096 CA GLU A 68 16.949 6.066 -4.366 1.00 0.00 C ATOM 1097 C GLU A 68 15.792 6.804 -5.042 1.00 0.00 C ATOM 1098 O GLU A 68 15.822 8.029 -5.176 1.00 0.00 O ATOM 1099 CB GLU A 68 18.091 5.852 -5.370 1.00 0.00 C ATOM 1100 CG GLU A 68 19.247 5.031 -4.807 1.00 0.00 C ATOM 1101 CD GLU A 68 20.294 4.692 -5.854 1.00 0.00 C ATOM 1102 OE1 GLU A 68 19.948 4.027 -6.851 1.00 0.00 O ATOM 1103 OE2 GLU A 68 21.471 5.071 -5.678 1.00 0.00 O ATOM 0 H GLU A 68 16.796 3.974 -4.399 1.00 0.00 H new ATOM 0 HA GLU A 68 17.291 6.684 -3.536 1.00 0.00 H new ATOM 0 HB2 GLU A 68 17.698 5.352 -6.255 1.00 0.00 H new ATOM 0 HB3 GLU A 68 18.468 6.823 -5.693 1.00 0.00 H new ATOM 0 HG2 GLU A 68 19.718 5.585 -3.995 1.00 0.00 H new ATOM 0 HG3 GLU A 68 18.856 4.108 -4.379 1.00 0.00 H new ATOM 1110 N LYS A 69 14.772 6.062 -5.470 1.00 0.00 N ATOM 1111 CA LYS A 69 13.665 6.653 -6.226 1.00 0.00 C ATOM 1112 C LYS A 69 12.442 6.918 -5.340 1.00 0.00 C ATOM 1113 O LYS A 69 11.559 7.690 -5.714 1.00 0.00 O ATOM 1114 CB LYS A 69 13.287 5.741 -7.406 1.00 0.00 C ATOM 1115 CG LYS A 69 12.268 6.349 -8.368 1.00 0.00 C ATOM 1116 CD LYS A 69 12.076 5.478 -9.609 1.00 0.00 C ATOM 1117 CE LYS A 69 11.136 6.121 -10.626 1.00 0.00 C ATOM 1118 NZ LYS A 69 9.729 6.162 -10.144 1.00 0.00 N ATOM 0 H LYS A 69 14.687 5.058 -5.309 1.00 0.00 H new ATOM 0 HA LYS A 69 14.002 7.617 -6.609 1.00 0.00 H new ATOM 0 HB2 LYS A 69 14.191 5.492 -7.962 1.00 0.00 H new ATOM 0 HB3 LYS A 69 12.887 4.806 -7.014 1.00 0.00 H new ATOM 0 HG2 LYS A 69 11.313 6.471 -7.857 1.00 0.00 H new ATOM 0 HG3 LYS A 69 12.599 7.343 -8.668 1.00 0.00 H new ATOM 0 HD2 LYS A 69 13.044 5.296 -10.076 1.00 0.00 H new ATOM 0 HD3 LYS A 69 11.678 4.508 -9.312 1.00 0.00 H new ATOM 0 HE2 LYS A 69 11.474 7.135 -10.841 1.00 0.00 H new ATOM 0 HE3 LYS A 69 11.181 5.565 -11.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 9.096 5.810 -10.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 9.634 5.564 -9.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 9.472 7.141 -9.906 1.00 0.00 H new ATOM 1132 N PHE A 70 12.393 6.296 -4.161 1.00 0.00 N ATOM 1133 CA PHE A 70 11.225 6.428 -3.281 1.00 0.00 C ATOM 1134 C PHE A 70 11.616 6.737 -1.831 1.00 0.00 C ATOM 1135 O PHE A 70 11.075 7.663 -1.225 1.00 0.00 O ATOM 1136 CB PHE A 70 10.376 5.145 -3.319 1.00 0.00 C ATOM 1137 CG PHE A 70 9.767 4.843 -4.668 1.00 0.00 C ATOM 1138 CD1 PHE A 70 8.513 5.333 -5.004 1.00 0.00 C ATOM 1139 CD2 PHE A 70 10.445 4.065 -5.595 1.00 0.00 C ATOM 1140 CE1 PHE A 70 7.951 5.054 -6.236 1.00 0.00 C ATOM 1141 CE2 PHE A 70 9.887 3.784 -6.827 1.00 0.00 C ATOM 1142 CZ PHE A 70 8.638 4.280 -7.148 1.00 0.00 C ATOM 0 H PHE A 70 13.137 5.702 -3.794 1.00 0.00 H new ATOM 0 HA PHE A 70 10.643 7.270 -3.656 1.00 0.00 H new ATOM 0 HB2 PHE A 70 10.998 4.302 -3.017 1.00 0.00 H new ATOM 0 HB3 PHE A 70 9.576 5.230 -2.583 1.00 0.00 H new ATOM 0 HD1 PHE A 70 7.970 5.940 -4.295 1.00 0.00 H new ATOM 0 HD2 PHE A 70 11.422 3.674 -5.350 1.00 0.00 H new ATOM 0 HE1 PHE A 70 6.974 5.442 -6.484 1.00 0.00 H new ATOM 0 HE2 PHE A 70 10.427 3.177 -7.539 1.00 0.00 H new ATOM 0 HZ PHE A 70 8.200 4.062 -8.111 1.00 0.00 H new ATOM 1152 N ILE A 71 12.556 5.967 -1.281 1.00 0.00 N ATOM 1153 CA ILE A 71 12.855 6.019 0.157 1.00 0.00 C ATOM 1154 C ILE A 71 13.647 7.275 0.541 1.00 0.00 C ATOM 1155 O ILE A 71 13.497 7.795 1.651 1.00 0.00 O ATOM 1156 CB ILE A 71 13.632 4.753 0.611 1.00 0.00 C ATOM 1157 CG1 ILE A 71 12.827 3.484 0.277 1.00 0.00 C ATOM 1158 CG2 ILE A 71 13.954 4.808 2.109 1.00 0.00 C ATOM 1159 CD1 ILE A 71 11.475 3.409 0.962 1.00 0.00 C ATOM 0 H ILE A 71 13.124 5.301 -1.805 1.00 0.00 H new ATOM 0 HA ILE A 71 11.895 6.056 0.672 1.00 0.00 H new ATOM 0 HB ILE A 71 14.576 4.722 0.068 1.00 0.00 H new ATOM 0 HG12 ILE A 71 12.679 3.434 -0.802 1.00 0.00 H new ATOM 0 HG13 ILE A 71 13.414 2.610 0.559 1.00 0.00 H new ATOM 0 HG21 ILE A 71 14.498 3.909 2.397 1.00 0.00 H new ATOM 0 HG22 ILE A 71 14.567 5.685 2.318 1.00 0.00 H new ATOM 0 HG23 ILE A 71 13.027 4.869 2.678 1.00 0.00 H new ATOM 0 HD11 ILE A 71 10.972 2.486 0.674 1.00 0.00 H new ATOM 0 HD12 ILE A 71 11.613 3.425 2.043 1.00 0.00 H new ATOM 0 HD13 ILE A 71 10.867 4.262 0.661 1.00 0.00 H new ATOM 1171 N GLN A 72 14.493 7.749 -0.366 1.00 0.00 N ATOM 1172 CA GLN A 72 15.299 8.944 -0.112 1.00 0.00 C ATOM 1173 C GLN A 72 14.424 10.188 0.050 1.00 0.00 C ATOM 1174 O GLN A 72 13.407 10.340 -0.627 1.00 0.00 O ATOM 1175 CB GLN A 72 16.324 9.162 -1.238 1.00 0.00 C ATOM 1176 CG GLN A 72 17.597 8.340 -1.075 1.00 0.00 C ATOM 1177 CD GLN A 72 18.354 8.691 0.197 1.00 0.00 C ATOM 1178 OE1 GLN A 72 18.292 9.821 0.682 1.00 0.00 O ATOM 1179 NE2 GLN A 72 19.070 7.728 0.749 1.00 0.00 N ATOM 0 H GLN A 72 14.641 7.327 -1.283 1.00 0.00 H new ATOM 0 HA GLN A 72 15.833 8.782 0.824 1.00 0.00 H new ATOM 0 HB2 GLN A 72 15.861 8.912 -2.192 1.00 0.00 H new ATOM 0 HB3 GLN A 72 16.587 10.219 -1.278 1.00 0.00 H new ATOM 0 HG2 GLN A 72 17.343 7.280 -1.063 1.00 0.00 H new ATOM 0 HG3 GLN A 72 18.244 8.503 -1.937 1.00 0.00 H new ATOM 0 HE21 GLN A 72 19.098 6.803 0.319 1.00 0.00 H new ATOM 0 HE22 GLN A 72 19.595 7.909 1.605 1.00 0.00 H new ATOM 1188 N THR A 73 14.837 11.074 0.952 1.00 0.00 N ATOM 1189 CA THR A 73 14.144 12.337 1.180 1.00 0.00 C ATOM 1190 C THR A 73 14.177 13.195 -0.088 1.00 0.00 C ATOM 1191 O THR A 73 13.271 13.991 -0.348 1.00 0.00 O ATOM 1192 CB THR A 73 14.807 13.108 2.343 1.00 0.00 C ATOM 1193 OG1 THR A 73 14.956 12.240 3.478 1.00 0.00 O ATOM 1194 CG2 THR A 73 13.988 14.335 2.742 1.00 0.00 C ATOM 0 H THR A 73 15.657 10.937 1.542 1.00 0.00 H new ATOM 0 HA THR A 73 13.108 12.120 1.439 1.00 0.00 H new ATOM 0 HB THR A 73 15.785 13.449 2.004 1.00 0.00 H new ATOM 0 HG1 THR A 73 15.378 12.732 4.213 1.00 0.00 H new ATOM 0 HG21 THR A 73 14.485 14.853 3.563 1.00 0.00 H new ATOM 0 HG22 THR A 73 13.901 15.007 1.889 1.00 0.00 H new ATOM 0 HG23 THR A 73 12.994 14.021 3.060 1.00 0.00 H new ATOM 1202 N ASP A 74 15.228 13.003 -0.879 1.00 0.00 N ATOM 1203 CA ASP A 74 15.441 13.763 -2.111 1.00 0.00 C ATOM 1204 C ASP A 74 14.972 12.959 -3.324 1.00 0.00 C ATOM 1205 O ASP A 74 15.446 13.171 -4.444 1.00 0.00 O ATOM 1206 CB ASP A 74 16.930 14.104 -2.261 1.00 0.00 C ATOM 1207 CG ASP A 74 17.496 14.854 -1.065 1.00 0.00 C ATOM 1208 OD1 ASP A 74 17.849 14.197 -0.058 1.00 0.00 O ATOM 1209 OD2 ASP A 74 17.614 16.098 -1.132 1.00 0.00 O ATOM 0 H ASP A 74 15.957 12.317 -0.686 1.00 0.00 H new ATOM 0 HA ASP A 74 14.861 14.684 -2.056 1.00 0.00 H new ATOM 0 HB2 ASP A 74 17.495 13.183 -2.404 1.00 0.00 H new ATOM 0 HB3 ASP A 74 17.070 14.706 -3.159 1.00 0.00 H new ATOM 1214 N ALA A 75 14.048 12.031 -3.092 1.00 0.00 N ATOM 1215 CA ALA A 75 13.506 11.187 -4.154 1.00 0.00 C ATOM 1216 C ALA A 75 12.282 11.847 -4.794 1.00 0.00 C ATOM 1217 O ALA A 75 11.567 12.597 -4.130 1.00 0.00 O ATOM 1218 CB ALA A 75 13.143 9.817 -3.594 1.00 0.00 C ATOM 0 H ALA A 75 13.656 11.843 -2.169 1.00 0.00 H new ATOM 0 HA ALA A 75 14.266 11.062 -4.925 1.00 0.00 H new ATOM 0 HB1 ALA A 75 12.740 9.193 -4.392 1.00 0.00 H new ATOM 0 HB2 ALA A 75 14.034 9.345 -3.180 1.00 0.00 H new ATOM 0 HB3 ALA A 75 12.395 9.931 -2.809 1.00 0.00 H new ATOM 1224 N PRO A 76 12.002 11.549 -6.084 1.00 0.00 N ATOM 1225 CA PRO A 76 10.886 12.165 -6.835 1.00 0.00 C ATOM 1226 C PRO A 76 9.496 11.760 -6.320 1.00 0.00 C ATOM 1227 O PRO A 76 8.489 11.950 -7.009 1.00 0.00 O ATOM 1228 CB PRO A 76 11.092 11.652 -8.278 1.00 0.00 C ATOM 1229 CG PRO A 76 12.483 11.107 -8.312 1.00 0.00 C ATOM 1230 CD PRO A 76 12.755 10.602 -6.925 1.00 0.00 C ATOM 0 HA PRO A 76 10.904 13.250 -6.737 1.00 0.00 H new ATOM 0 HB2 PRO A 76 10.362 10.882 -8.529 1.00 0.00 H new ATOM 0 HB3 PRO A 76 10.968 12.457 -9.002 1.00 0.00 H new ATOM 0 HG2 PRO A 76 12.572 10.305 -9.045 1.00 0.00 H new ATOM 0 HG3 PRO A 76 13.199 11.878 -8.595 1.00 0.00 H new ATOM 0 HD2 PRO A 76 12.408 9.577 -6.792 1.00 0.00 H new ATOM 0 HD3 PRO A 76 13.820 10.611 -6.692 1.00 0.00 H new ATOM 1238 N LYS A 77 9.438 11.201 -5.114 1.00 0.00 N ATOM 1239 CA LYS A 77 8.171 10.817 -4.500 1.00 0.00 C ATOM 1240 C LYS A 77 8.065 11.347 -3.076 1.00 0.00 C ATOM 1241 O LYS A 77 6.958 11.575 -2.585 1.00 0.00 O ATOM 1242 CB LYS A 77 7.997 9.289 -4.526 1.00 0.00 C ATOM 1243 CG LYS A 77 7.670 8.725 -5.915 1.00 0.00 C ATOM 1244 CD LYS A 77 6.160 8.605 -6.174 1.00 0.00 C ATOM 1245 CE LYS A 77 5.410 9.924 -5.991 1.00 0.00 C ATOM 1246 NZ LYS A 77 5.890 10.990 -6.910 1.00 0.00 N ATOM 0 H LYS A 77 10.258 11.003 -4.541 1.00 0.00 H new ATOM 0 HA LYS A 77 7.367 11.266 -5.083 1.00 0.00 H new ATOM 0 HB2 LYS A 77 8.912 8.823 -4.161 1.00 0.00 H new ATOM 0 HB3 LYS A 77 7.201 9.012 -3.835 1.00 0.00 H new ATOM 0 HG2 LYS A 77 8.114 9.368 -6.676 1.00 0.00 H new ATOM 0 HG3 LYS A 77 8.130 7.742 -6.020 1.00 0.00 H new ATOM 0 HD2 LYS A 77 6.000 8.242 -7.189 1.00 0.00 H new ATOM 0 HD3 LYS A 77 5.740 7.859 -5.499 1.00 0.00 H new ATOM 0 HE2 LYS A 77 4.346 9.758 -6.158 1.00 0.00 H new ATOM 0 HE3 LYS A 77 5.522 10.261 -4.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 5.513 11.909 -6.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 6.929 11.020 -6.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 5.564 10.788 -7.877 1.00 0.00 H new ATOM 1260 N GLU A 78 9.216 11.540 -2.423 1.00 0.00 N ATOM 1261 CA GLU A 78 9.263 12.105 -1.071 1.00 0.00 C ATOM 1262 C GLU A 78 8.269 11.395 -0.146 1.00 0.00 C ATOM 1263 O GLU A 78 7.590 12.031 0.666 1.00 0.00 O ATOM 1264 CB GLU A 78 8.963 13.608 -1.134 1.00 0.00 C ATOM 1265 CG GLU A 78 9.946 14.388 -1.998 1.00 0.00 C ATOM 1266 CD GLU A 78 9.537 15.837 -2.179 1.00 0.00 C ATOM 1267 OE1 GLU A 78 9.542 16.588 -1.181 1.00 0.00 O ATOM 1268 OE2 GLU A 78 9.202 16.233 -3.317 1.00 0.00 O ATOM 0 H GLU A 78 10.131 11.312 -2.812 1.00 0.00 H new ATOM 0 HA GLU A 78 10.262 11.956 -0.661 1.00 0.00 H new ATOM 0 HB2 GLU A 78 7.955 13.753 -1.523 1.00 0.00 H new ATOM 0 HB3 GLU A 78 8.977 14.016 -0.123 1.00 0.00 H new ATOM 0 HG2 GLU A 78 10.936 14.347 -1.544 1.00 0.00 H new ATOM 0 HG3 GLU A 78 10.024 13.911 -2.975 1.00 0.00 H new ATOM 1275 N VAL A 79 8.220 10.069 -0.274 1.00 0.00 N ATOM 1276 CA VAL A 79 7.255 9.234 0.440 1.00 0.00 C ATOM 1277 C VAL A 79 7.184 9.590 1.927 1.00 0.00 C ATOM 1278 O VAL A 79 8.213 9.737 2.591 1.00 0.00 O ATOM 1279 CB VAL A 79 7.601 7.733 0.286 1.00 0.00 C ATOM 1280 CG1 VAL A 79 6.583 6.859 1.017 1.00 0.00 C ATOM 1281 CG2 VAL A 79 7.687 7.351 -1.191 1.00 0.00 C ATOM 0 H VAL A 79 8.851 9.542 -0.878 1.00 0.00 H new ATOM 0 HA VAL A 79 6.280 9.427 -0.007 1.00 0.00 H new ATOM 0 HB VAL A 79 8.576 7.560 0.741 1.00 0.00 H new ATOM 0 HG11 VAL A 79 6.849 5.809 0.893 1.00 0.00 H new ATOM 0 HG12 VAL A 79 6.583 7.110 2.078 1.00 0.00 H new ATOM 0 HG13 VAL A 79 5.590 7.033 0.603 1.00 0.00 H new ATOM 0 HG21 VAL A 79 7.931 6.292 -1.279 1.00 0.00 H new ATOM 0 HG22 VAL A 79 6.729 7.544 -1.673 1.00 0.00 H new ATOM 0 HG23 VAL A 79 8.463 7.944 -1.676 1.00 0.00 H new ATOM 1291 N ASN A 80 5.959 9.724 2.438 1.00 0.00 N ATOM 1292 CA ASN A 80 5.732 10.092 3.835 1.00 0.00 C ATOM 1293 C ASN A 80 6.111 8.944 4.770 1.00 0.00 C ATOM 1294 O ASN A 80 5.249 8.210 5.268 1.00 0.00 O ATOM 1295 CB ASN A 80 4.268 10.512 4.057 1.00 0.00 C ATOM 1296 CG ASN A 80 3.925 11.872 3.455 1.00 0.00 C ATOM 1297 OD1 ASN A 80 4.615 12.259 2.388 1.00 0.00 O flip ATOM 1298 ND2 ASN A 80 3.044 12.575 3.950 1.00 0.00 N flip ATOM 0 H ASN A 80 5.104 9.582 1.900 1.00 0.00 H new ATOM 0 HA ASN A 80 6.371 10.944 4.068 1.00 0.00 H new ATOM 0 HB2 ASN A 80 3.612 9.757 3.624 1.00 0.00 H new ATOM 0 HB3 ASN A 80 4.064 10.536 5.127 1.00 0.00 H new ATOM 0 HD21 ASN A 80 2.532 12.249 4.770 1.00 0.00 H new ATOM 0 HD22 ASN A 80 2.826 13.483 3.540 1.00 0.00 H new ATOM 1305 N LEU A 81 7.411 8.776 4.963 1.00 0.00 N ATOM 1306 CA LEU A 81 7.961 7.776 5.867 1.00 0.00 C ATOM 1307 C LEU A 81 8.661 8.463 7.040 1.00 0.00 C ATOM 1308 O LEU A 81 9.255 9.532 6.868 1.00 0.00 O ATOM 1309 CB LEU A 81 8.947 6.886 5.098 1.00 0.00 C ATOM 1310 CG LEU A 81 9.686 5.828 5.931 1.00 0.00 C ATOM 1311 CD1 LEU A 81 8.694 4.898 6.617 1.00 0.00 C ATOM 1312 CD2 LEU A 81 10.658 5.041 5.055 1.00 0.00 C ATOM 0 H LEU A 81 8.121 9.336 4.491 1.00 0.00 H new ATOM 0 HA LEU A 81 7.156 7.156 6.262 1.00 0.00 H new ATOM 0 HB2 LEU A 81 8.403 6.378 4.301 1.00 0.00 H new ATOM 0 HB3 LEU A 81 9.688 7.527 4.620 1.00 0.00 H new ATOM 0 HG LEU A 81 10.262 6.336 6.704 1.00 0.00 H new ATOM 0 HD11 LEU A 81 9.236 4.155 7.202 1.00 0.00 H new ATOM 0 HD12 LEU A 81 8.047 5.478 7.276 1.00 0.00 H new ATOM 0 HD13 LEU A 81 8.087 4.394 5.865 1.00 0.00 H new ATOM 0 HD21 LEU A 81 11.173 4.296 5.661 1.00 0.00 H new ATOM 0 HD22 LEU A 81 10.107 4.542 4.258 1.00 0.00 H new ATOM 0 HD23 LEU A 81 11.389 5.722 4.620 1.00 0.00 H new ATOM 1324 N ASP A 82 8.574 7.860 8.225 1.00 0.00 N ATOM 1325 CA ASP A 82 9.224 8.399 9.421 1.00 0.00 C ATOM 1326 C ASP A 82 10.739 8.327 9.295 1.00 0.00 C ATOM 1327 O ASP A 82 11.282 7.382 8.710 1.00 0.00 O ATOM 1328 CB ASP A 82 8.772 7.651 10.686 1.00 0.00 C ATOM 1329 CG ASP A 82 7.384 8.062 11.148 1.00 0.00 C ATOM 1330 OD1 ASP A 82 7.176 9.265 11.415 1.00 0.00 O ATOM 1331 OD2 ASP A 82 6.502 7.188 11.269 1.00 0.00 O ATOM 0 H ASP A 82 8.058 6.995 8.384 1.00 0.00 H new ATOM 0 HA ASP A 82 8.926 9.444 9.510 1.00 0.00 H new ATOM 0 HB2 ASP A 82 8.783 6.578 10.492 1.00 0.00 H new ATOM 0 HB3 ASP A 82 9.487 7.837 11.488 1.00 0.00 H new ATOM 1336 N PHE A 83 11.413 9.324 9.866 1.00 0.00 N ATOM 1337 CA PHE A 83 12.862 9.439 9.772 1.00 0.00 C ATOM 1338 C PHE A 83 13.558 8.203 10.335 1.00 0.00 C ATOM 1339 O PHE A 83 14.415 7.619 9.676 1.00 0.00 O ATOM 1340 CB PHE A 83 13.359 10.692 10.507 1.00 0.00 C ATOM 1341 CG PHE A 83 14.861 10.836 10.483 1.00 0.00 C ATOM 1342 CD1 PHE A 83 15.504 11.344 9.363 1.00 0.00 C ATOM 1343 CD2 PHE A 83 15.632 10.447 11.571 1.00 0.00 C ATOM 1344 CE1 PHE A 83 16.879 11.464 9.330 1.00 0.00 C ATOM 1345 CE2 PHE A 83 17.006 10.563 11.540 1.00 0.00 C ATOM 1346 CZ PHE A 83 17.631 11.073 10.419 1.00 0.00 C ATOM 0 H PHE A 83 10.970 10.069 10.403 1.00 0.00 H new ATOM 0 HA PHE A 83 13.111 9.523 8.714 1.00 0.00 H new ATOM 0 HB2 PHE A 83 12.908 11.575 10.053 1.00 0.00 H new ATOM 0 HB3 PHE A 83 13.020 10.657 11.542 1.00 0.00 H new ATOM 0 HD1 PHE A 83 14.921 11.649 8.506 1.00 0.00 H new ATOM 0 HD2 PHE A 83 15.150 10.049 12.452 1.00 0.00 H new ATOM 0 HE1 PHE A 83 17.366 11.864 8.453 1.00 0.00 H new ATOM 0 HE2 PHE A 83 17.593 10.255 12.392 1.00 0.00 H new ATOM 0 HZ PHE A 83 18.707 11.166 10.395 1.00 0.00 H new ATOM 1356 N HIS A 84 13.187 7.809 11.548 1.00 0.00 N ATOM 1357 CA HIS A 84 13.849 6.698 12.226 1.00 0.00 C ATOM 1358 C HIS A 84 13.700 5.398 11.432 1.00 0.00 C ATOM 1359 O HIS A 84 14.602 4.557 11.429 1.00 0.00 O ATOM 1360 CB HIS A 84 13.305 6.526 13.648 1.00 0.00 C ATOM 1361 CG HIS A 84 13.925 5.381 14.394 1.00 0.00 C ATOM 1362 ND1 HIS A 84 15.245 5.367 14.800 1.00 0.00 N ATOM 1363 CD2 HIS A 84 13.398 4.202 14.802 1.00 0.00 C ATOM 1364 CE1 HIS A 84 15.499 4.232 15.424 1.00 0.00 C ATOM 1365 NE2 HIS A 84 14.396 3.508 15.439 1.00 0.00 N ATOM 0 H HIS A 84 12.433 8.241 12.082 1.00 0.00 H new ATOM 0 HA HIS A 84 14.911 6.933 12.290 1.00 0.00 H new ATOM 0 HB2 HIS A 84 13.474 7.447 14.207 1.00 0.00 H new ATOM 0 HB3 HIS A 84 12.226 6.376 13.600 1.00 0.00 H new ATOM 0 HD1 HIS A 84 15.918 6.117 14.642 1.00 0.00 H new ATOM 0 HD2 HIS A 84 12.381 3.870 14.654 1.00 0.00 H new ATOM 0 HE1 HIS A 84 16.449 3.945 15.850 1.00 0.00 H new ATOM 1374 N THR A 85 12.572 5.244 10.751 1.00 0.00 N ATOM 1375 CA THR A 85 12.327 4.062 9.935 1.00 0.00 C ATOM 1376 C THR A 85 13.247 4.047 8.709 1.00 0.00 C ATOM 1377 O THR A 85 13.925 3.052 8.440 1.00 0.00 O ATOM 1378 CB THR A 85 10.851 3.993 9.491 1.00 0.00 C ATOM 1379 OG1 THR A 85 10.003 4.138 10.638 1.00 0.00 O ATOM 1380 CG2 THR A 85 10.544 2.667 8.797 1.00 0.00 C ATOM 0 H THR A 85 11.811 5.924 10.748 1.00 0.00 H new ATOM 0 HA THR A 85 12.545 3.186 10.546 1.00 0.00 H new ATOM 0 HB THR A 85 10.667 4.801 8.782 1.00 0.00 H new ATOM 0 HG1 THR A 85 9.065 4.096 10.358 1.00 0.00 H new ATOM 0 HG21 THR A 85 9.497 2.648 8.496 1.00 0.00 H new ATOM 0 HG22 THR A 85 11.177 2.562 7.916 1.00 0.00 H new ATOM 0 HG23 THR A 85 10.739 1.843 9.484 1.00 0.00 H new ATOM 1388 N LYS A 86 13.288 5.164 7.977 1.00 0.00 N ATOM 1389 CA LYS A 86 14.154 5.273 6.801 1.00 0.00 C ATOM 1390 C LYS A 86 15.620 5.344 7.227 1.00 0.00 C ATOM 1391 O LYS A 86 16.525 5.061 6.441 1.00 0.00 O ATOM 1392 CB LYS A 86 13.759 6.482 5.932 1.00 0.00 C ATOM 1393 CG LYS A 86 13.801 7.828 6.652 1.00 0.00 C ATOM 1394 CD LYS A 86 12.989 8.897 5.916 1.00 0.00 C ATOM 1395 CE LYS A 86 13.542 9.204 4.525 1.00 0.00 C ATOM 1396 NZ LYS A 86 14.865 9.878 4.589 1.00 0.00 N ATOM 0 H LYS A 86 12.736 5.999 8.176 1.00 0.00 H new ATOM 0 HA LYS A 86 14.022 4.380 6.190 1.00 0.00 H new ATOM 0 HB2 LYS A 86 14.425 6.526 5.070 1.00 0.00 H new ATOM 0 HB3 LYS A 86 12.751 6.322 5.548 1.00 0.00 H new ATOM 0 HG2 LYS A 86 13.413 7.710 7.664 1.00 0.00 H new ATOM 0 HG3 LYS A 86 14.836 8.158 6.744 1.00 0.00 H new ATOM 0 HD2 LYS A 86 11.955 8.564 5.826 1.00 0.00 H new ATOM 0 HD3 LYS A 86 12.979 9.812 6.509 1.00 0.00 H new ATOM 0 HE2 LYS A 86 13.634 8.277 3.959 1.00 0.00 H new ATOM 0 HE3 LYS A 86 12.838 9.838 3.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 14.875 10.687 3.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 15.037 10.214 5.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 15.611 9.205 4.319 1.00 0.00 H new ATOM 1410 N GLU A 87 15.840 5.708 8.486 1.00 0.00 N ATOM 1411 CA GLU A 87 17.171 5.691 9.082 1.00 0.00 C ATOM 1412 C GLU A 87 17.713 4.265 9.084 1.00 0.00 C ATOM 1413 O GLU A 87 18.789 3.998 8.543 1.00 0.00 O ATOM 1414 CB GLU A 87 17.114 6.243 10.514 1.00 0.00 C ATOM 1415 CG GLU A 87 18.430 6.151 11.278 1.00 0.00 C ATOM 1416 CD GLU A 87 18.310 6.681 12.697 1.00 0.00 C ATOM 1417 OE1 GLU A 87 17.937 5.901 13.601 1.00 0.00 O ATOM 1418 OE2 GLU A 87 18.577 7.881 12.913 1.00 0.00 O ATOM 0 H GLU A 87 15.105 6.022 9.119 1.00 0.00 H new ATOM 0 HA GLU A 87 17.837 6.322 8.494 1.00 0.00 H new ATOM 0 HB2 GLU A 87 16.803 7.287 10.476 1.00 0.00 H new ATOM 0 HB3 GLU A 87 16.347 5.702 11.069 1.00 0.00 H new ATOM 0 HG2 GLU A 87 18.759 5.112 11.307 1.00 0.00 H new ATOM 0 HG3 GLU A 87 19.197 6.714 10.746 1.00 0.00 H new ATOM 1425 N VAL A 88 16.941 3.350 9.667 1.00 0.00 N ATOM 1426 CA VAL A 88 17.308 1.936 9.710 1.00 0.00 C ATOM 1427 C VAL A 88 17.574 1.416 8.297 1.00 0.00 C ATOM 1428 O VAL A 88 18.532 0.673 8.062 1.00 0.00 O ATOM 1429 CB VAL A 88 16.197 1.080 10.374 1.00 0.00 C ATOM 1430 CG1 VAL A 88 16.605 -0.394 10.432 1.00 0.00 C ATOM 1431 CG2 VAL A 88 15.866 1.611 11.771 1.00 0.00 C ATOM 0 H VAL A 88 16.052 3.565 10.119 1.00 0.00 H new ATOM 0 HA VAL A 88 18.214 1.849 10.310 1.00 0.00 H new ATOM 0 HB VAL A 88 15.299 1.156 9.761 1.00 0.00 H new ATOM 0 HG11 VAL A 88 15.810 -0.973 10.902 1.00 0.00 H new ATOM 0 HG12 VAL A 88 16.775 -0.764 9.421 1.00 0.00 H new ATOM 0 HG13 VAL A 88 17.521 -0.495 11.015 1.00 0.00 H new ATOM 0 HG21 VAL A 88 15.085 0.996 12.218 1.00 0.00 H new ATOM 0 HG22 VAL A 88 16.759 1.574 12.395 1.00 0.00 H new ATOM 0 HG23 VAL A 88 15.518 2.641 11.696 1.00 0.00 H new ATOM 1441 N ILE A 89 16.728 1.838 7.360 1.00 0.00 N ATOM 1442 CA ILE A 89 16.853 1.435 5.963 1.00 0.00 C ATOM 1443 C ILE A 89 18.199 1.871 5.382 1.00 0.00 C ATOM 1444 O ILE A 89 18.945 1.048 4.858 1.00 0.00 O ATOM 1445 CB ILE A 89 15.702 2.015 5.098 1.00 0.00 C ATOM 1446 CG1 ILE A 89 14.346 1.466 5.579 1.00 0.00 C ATOM 1447 CG2 ILE A 89 15.923 1.696 3.617 1.00 0.00 C ATOM 1448 CD1 ILE A 89 13.157 2.008 4.812 1.00 0.00 C ATOM 0 H ILE A 89 15.944 2.463 7.546 1.00 0.00 H new ATOM 0 HA ILE A 89 16.791 0.347 5.940 1.00 0.00 H new ATOM 0 HB ILE A 89 15.696 3.099 5.211 1.00 0.00 H new ATOM 0 HG12 ILE A 89 14.355 0.379 5.496 1.00 0.00 H new ATOM 0 HG13 ILE A 89 14.223 1.704 6.636 1.00 0.00 H new ATOM 0 HG21 ILE A 89 15.105 2.112 3.029 1.00 0.00 H new ATOM 0 HG22 ILE A 89 16.865 2.133 3.287 1.00 0.00 H new ATOM 0 HG23 ILE A 89 15.957 0.615 3.479 1.00 0.00 H new ATOM 0 HD11 ILE A 89 12.239 1.574 5.209 1.00 0.00 H new ATOM 0 HD12 ILE A 89 13.121 3.092 4.916 1.00 0.00 H new ATOM 0 HD13 ILE A 89 13.254 1.748 3.758 1.00 0.00 H new ATOM 1460 N THR A 90 18.519 3.159 5.507 1.00 0.00 N ATOM 1461 CA THR A 90 19.743 3.710 4.918 1.00 0.00 C ATOM 1462 C THR A 90 20.992 3.000 5.447 1.00 0.00 C ATOM 1463 O THR A 90 21.998 2.888 4.746 1.00 0.00 O ATOM 1464 CB THR A 90 19.876 5.231 5.179 1.00 0.00 C ATOM 1465 OG1 THR A 90 19.900 5.491 6.589 1.00 0.00 O ATOM 1466 CG2 THR A 90 18.730 6.008 4.535 1.00 0.00 C ATOM 0 H THR A 90 17.950 3.840 6.009 1.00 0.00 H new ATOM 0 HA THR A 90 19.665 3.543 3.844 1.00 0.00 H new ATOM 0 HB THR A 90 20.812 5.564 4.730 1.00 0.00 H new ATOM 0 HG1 THR A 90 19.443 4.765 7.063 1.00 0.00 H new ATOM 0 HG21 THR A 90 18.853 7.072 4.737 1.00 0.00 H new ATOM 0 HG22 THR A 90 18.736 5.840 3.458 1.00 0.00 H new ATOM 0 HG23 THR A 90 17.781 5.667 4.950 1.00 0.00 H new ATOM 1474 N ASN A 91 20.925 2.523 6.687 1.00 0.00 N ATOM 1475 CA ASN A 91 22.057 1.834 7.308 1.00 0.00 C ATOM 1476 C ASN A 91 22.100 0.358 6.912 1.00 0.00 C ATOM 1477 O ASN A 91 23.175 -0.240 6.838 1.00 0.00 O ATOM 1478 CB ASN A 91 22.003 1.969 8.840 1.00 0.00 C ATOM 1479 CG ASN A 91 22.384 3.360 9.323 1.00 0.00 C ATOM 1480 OD1 ASN A 91 23.557 3.644 9.571 1.00 0.00 O ATOM 1481 ND2 ASN A 91 21.404 4.237 9.461 1.00 0.00 N ATOM 0 H ASN A 91 20.101 2.600 7.283 1.00 0.00 H new ATOM 0 HA ASN A 91 22.968 2.309 6.944 1.00 0.00 H new ATOM 0 HB2 ASN A 91 20.997 1.732 9.186 1.00 0.00 H new ATOM 0 HB3 ASN A 91 22.675 1.237 9.289 1.00 0.00 H new ATOM 0 HD21 ASN A 91 21.608 5.183 9.782 1.00 0.00 H new ATOM 0 HD22 ASN A 91 20.444 3.967 9.246 1.00 0.00 H new ATOM 1488 N SER A 92 20.936 -0.222 6.643 1.00 0.00 N ATOM 1489 CA SER A 92 20.835 -1.652 6.346 1.00 0.00 C ATOM 1490 C SER A 92 20.704 -1.902 4.842 1.00 0.00 C ATOM 1491 O SER A 92 20.652 -3.050 4.397 1.00 0.00 O ATOM 1492 CB SER A 92 19.636 -2.245 7.096 1.00 0.00 C ATOM 1493 OG SER A 92 19.697 -1.919 8.479 1.00 0.00 O ATOM 0 H SER A 92 20.045 0.275 6.624 1.00 0.00 H new ATOM 0 HA SER A 92 21.750 -2.141 6.679 1.00 0.00 H new ATOM 0 HB2 SER A 92 18.709 -1.864 6.668 1.00 0.00 H new ATOM 0 HB3 SER A 92 19.623 -3.328 6.973 1.00 0.00 H new ATOM 0 HG SER A 92 19.336 -1.019 8.619 1.00 0.00 H new ATOM 1499 N ILE A 93 20.681 -0.823 4.060 1.00 0.00 N ATOM 1500 CA ILE A 93 20.488 -0.909 2.611 1.00 0.00 C ATOM 1501 C ILE A 93 21.619 -1.700 1.943 1.00 0.00 C ATOM 1502 O ILE A 93 21.459 -2.220 0.837 1.00 0.00 O ATOM 1503 CB ILE A 93 20.388 0.504 1.969 1.00 0.00 C ATOM 1504 CG1 ILE A 93 19.960 0.409 0.491 1.00 0.00 C ATOM 1505 CG2 ILE A 93 21.715 1.253 2.100 1.00 0.00 C ATOM 1506 CD1 ILE A 93 18.594 -0.221 0.284 1.00 0.00 C ATOM 0 H ILE A 93 20.795 0.129 4.409 1.00 0.00 H new ATOM 0 HA ILE A 93 19.548 -1.436 2.446 1.00 0.00 H new ATOM 0 HB ILE A 93 19.624 1.065 2.507 1.00 0.00 H new ATOM 0 HG12 ILE A 93 19.957 1.410 0.059 1.00 0.00 H new ATOM 0 HG13 ILE A 93 20.703 -0.171 -0.055 1.00 0.00 H new ATOM 0 HG21 ILE A 93 21.623 2.239 1.644 1.00 0.00 H new ATOM 0 HG22 ILE A 93 21.968 1.363 3.154 1.00 0.00 H new ATOM 0 HG23 ILE A 93 22.501 0.692 1.595 1.00 0.00 H new ATOM 0 HD11 ILE A 93 18.365 -0.252 -0.781 1.00 0.00 H new ATOM 0 HD12 ILE A 93 18.597 -1.235 0.684 1.00 0.00 H new ATOM 0 HD13 ILE A 93 17.838 0.371 0.800 1.00 0.00 H new ATOM 1518 N THR A 94 22.758 -1.794 2.627 1.00 0.00 N ATOM 1519 CA THR A 94 23.907 -2.531 2.114 1.00 0.00 C ATOM 1520 C THR A 94 23.565 -4.015 1.946 1.00 0.00 C ATOM 1521 O THR A 94 23.977 -4.652 0.976 1.00 0.00 O ATOM 1522 CB THR A 94 25.145 -2.367 3.036 1.00 0.00 C ATOM 1523 OG1 THR A 94 26.263 -3.093 2.505 1.00 0.00 O ATOM 1524 CG2 THR A 94 24.853 -2.846 4.457 1.00 0.00 C ATOM 0 H THR A 94 22.908 -1.367 3.541 1.00 0.00 H new ATOM 0 HA THR A 94 24.156 -2.114 1.138 1.00 0.00 H new ATOM 0 HB THR A 94 25.386 -1.305 3.075 1.00 0.00 H new ATOM 0 HG1 THR A 94 27.037 -2.980 3.095 1.00 0.00 H new ATOM 0 HG21 THR A 94 25.742 -2.716 5.075 1.00 0.00 H new ATOM 0 HG22 THR A 94 24.032 -2.264 4.876 1.00 0.00 H new ATOM 0 HG23 THR A 94 24.576 -3.900 4.436 1.00 0.00 H new ATOM 1532 N GLN A 95 22.782 -4.549 2.885 1.00 0.00 N ATOM 1533 CA GLN A 95 22.360 -5.947 2.848 1.00 0.00 C ATOM 1534 C GLN A 95 20.892 -6.052 3.254 1.00 0.00 C ATOM 1535 O GLN A 95 20.577 -6.411 4.392 1.00 0.00 O ATOM 1536 CB GLN A 95 23.224 -6.811 3.781 1.00 0.00 C ATOM 1537 CG GLN A 95 24.707 -6.840 3.430 1.00 0.00 C ATOM 1538 CD GLN A 95 25.528 -7.648 4.424 1.00 0.00 C ATOM 1539 OE1 GLN A 95 25.098 -7.665 5.680 1.00 0.00 O flip ATOM 1540 NE2 GLN A 95 26.546 -8.247 4.071 1.00 0.00 N flip ATOM 0 H GLN A 95 22.426 -4.028 3.686 1.00 0.00 H new ATOM 0 HA GLN A 95 22.485 -6.317 1.830 1.00 0.00 H new ATOM 0 HB2 GLN A 95 23.113 -6.443 4.801 1.00 0.00 H new ATOM 0 HB3 GLN A 95 22.841 -7.831 3.767 1.00 0.00 H new ATOM 0 HG2 GLN A 95 24.832 -7.262 2.433 1.00 0.00 H new ATOM 0 HG3 GLN A 95 25.088 -5.819 3.394 1.00 0.00 H new ATOM 0 HE21 GLN A 95 26.847 -8.212 3.097 1.00 0.00 H new ATOM 0 HE22 GLN A 95 27.088 -8.778 4.753 1.00 0.00 H new ATOM 1549 N PRO A 96 19.976 -5.705 2.334 1.00 0.00 N ATOM 1550 CA PRO A 96 18.538 -5.722 2.606 1.00 0.00 C ATOM 1551 C PRO A 96 17.965 -7.139 2.583 1.00 0.00 C ATOM 1552 O PRO A 96 18.491 -8.024 1.900 1.00 0.00 O ATOM 1553 CB PRO A 96 17.961 -4.878 1.464 1.00 0.00 C ATOM 1554 CG PRO A 96 18.911 -5.085 0.332 1.00 0.00 C ATOM 1555 CD PRO A 96 20.273 -5.268 0.953 1.00 0.00 C ATOM 0 HA PRO A 96 18.296 -5.340 3.598 1.00 0.00 H new ATOM 0 HB2 PRO A 96 16.954 -5.201 1.201 1.00 0.00 H new ATOM 0 HB3 PRO A 96 17.896 -3.826 1.741 1.00 0.00 H new ATOM 0 HG2 PRO A 96 18.631 -5.959 -0.256 1.00 0.00 H new ATOM 0 HG3 PRO A 96 18.903 -4.230 -0.344 1.00 0.00 H new ATOM 0 HD2 PRO A 96 20.861 -6.012 0.416 1.00 0.00 H new ATOM 0 HD3 PRO A 96 20.846 -4.341 0.941 1.00 0.00 H new ATOM 1563 N THR A 97 16.898 -7.348 3.343 1.00 0.00 N ATOM 1564 CA THR A 97 16.222 -8.637 3.396 1.00 0.00 C ATOM 1565 C THR A 97 15.022 -8.636 2.436 1.00 0.00 C ATOM 1566 O THR A 97 14.645 -7.579 1.925 1.00 0.00 O ATOM 1567 CB THR A 97 15.773 -8.938 4.848 1.00 0.00 C ATOM 1568 OG1 THR A 97 16.838 -8.602 5.754 1.00 0.00 O ATOM 1569 CG2 THR A 97 15.403 -10.409 5.039 1.00 0.00 C ATOM 0 H THR A 97 16.479 -6.633 3.937 1.00 0.00 H new ATOM 0 HA THR A 97 16.910 -9.422 3.083 1.00 0.00 H new ATOM 0 HB THR A 97 14.887 -8.337 5.053 1.00 0.00 H new ATOM 0 HG1 THR A 97 16.556 -8.790 6.674 1.00 0.00 H new ATOM 0 HG21 THR A 97 15.094 -10.575 6.071 1.00 0.00 H new ATOM 0 HG22 THR A 97 14.583 -10.668 4.369 1.00 0.00 H new ATOM 0 HG23 THR A 97 16.267 -11.034 4.814 1.00 0.00 H new ATOM 1577 N LEU A 98 14.439 -9.815 2.195 1.00 0.00 N ATOM 1578 CA LEU A 98 13.349 -9.992 1.226 1.00 0.00 C ATOM 1579 C LEU A 98 12.260 -8.916 1.346 1.00 0.00 C ATOM 1580 O LEU A 98 11.688 -8.494 0.341 1.00 0.00 O ATOM 1581 CB LEU A 98 12.719 -11.382 1.404 1.00 0.00 C ATOM 1582 CG LEU A 98 11.579 -11.723 0.427 1.00 0.00 C ATOM 1583 CD1 LEU A 98 12.083 -11.728 -1.013 1.00 0.00 C ATOM 1584 CD2 LEU A 98 10.946 -13.065 0.787 1.00 0.00 C ATOM 0 H LEU A 98 14.710 -10.677 2.668 1.00 0.00 H new ATOM 0 HA LEU A 98 13.788 -9.895 0.233 1.00 0.00 H new ATOM 0 HB2 LEU A 98 13.502 -12.133 1.298 1.00 0.00 H new ATOM 0 HB3 LEU A 98 12.338 -11.461 2.422 1.00 0.00 H new ATOM 0 HG LEU A 98 10.813 -10.952 0.513 1.00 0.00 H new ATOM 0 HD11 LEU A 98 11.260 -11.971 -1.686 1.00 0.00 H new ATOM 0 HD12 LEU A 98 12.478 -10.743 -1.264 1.00 0.00 H new ATOM 0 HD13 LEU A 98 12.872 -12.473 -1.120 1.00 0.00 H new ATOM 0 HD21 LEU A 98 10.143 -13.288 0.085 1.00 0.00 H new ATOM 0 HD22 LEU A 98 11.701 -13.849 0.735 1.00 0.00 H new ATOM 0 HD23 LEU A 98 10.542 -13.017 1.798 1.00 0.00 H new ATOM 1596 N HIS A 99 11.959 -8.484 2.569 1.00 0.00 N ATOM 1597 CA HIS A 99 10.923 -7.472 2.782 1.00 0.00 C ATOM 1598 C HIS A 99 11.543 -6.083 2.939 1.00 0.00 C ATOM 1599 O HIS A 99 11.142 -5.148 2.247 1.00 0.00 O ATOM 1600 CB HIS A 99 10.051 -7.834 3.993 1.00 0.00 C ATOM 1601 CG HIS A 99 9.114 -8.975 3.724 1.00 0.00 C ATOM 1602 ND1 HIS A 99 7.768 -8.800 3.473 1.00 0.00 N ATOM 1603 CD2 HIS A 99 9.341 -10.308 3.619 1.00 0.00 C ATOM 1604 CE1 HIS A 99 7.211 -9.971 3.223 1.00 0.00 C ATOM 1605 NE2 HIS A 99 8.143 -10.899 3.308 1.00 0.00 N ATOM 0 H HIS A 99 12.412 -8.814 3.421 1.00 0.00 H new ATOM 0 HA HIS A 99 10.280 -7.450 1.902 1.00 0.00 H new ATOM 0 HB2 HIS A 99 10.696 -8.092 4.833 1.00 0.00 H new ATOM 0 HB3 HIS A 99 9.473 -6.959 4.291 1.00 0.00 H new ATOM 0 HD1 HIS A 99 7.279 -7.905 3.480 1.00 0.00 H new ATOM 0 HD2 HIS A 99 10.288 -10.810 3.755 1.00 0.00 H new ATOM 0 HE1 HIS A 99 6.170 -10.139 2.989 1.00 0.00 H new ATOM 1614 N SER A 100 12.509 -5.962 3.851 1.00 0.00 N ATOM 1615 CA SER A 100 13.278 -4.724 4.047 1.00 0.00 C ATOM 1616 C SER A 100 12.374 -3.491 4.227 1.00 0.00 C ATOM 1617 O SER A 100 12.082 -3.078 5.353 1.00 0.00 O ATOM 1618 CB SER A 100 14.251 -4.520 2.872 1.00 0.00 C ATOM 1619 OG SER A 100 15.071 -3.381 3.063 1.00 0.00 O ATOM 0 H SER A 100 12.783 -6.719 4.477 1.00 0.00 H new ATOM 0 HA SER A 100 13.845 -4.833 4.972 1.00 0.00 H new ATOM 0 HB2 SER A 100 14.878 -5.405 2.760 1.00 0.00 H new ATOM 0 HB3 SER A 100 13.686 -4.411 1.946 1.00 0.00 H new ATOM 0 HG SER A 100 15.677 -3.283 2.299 1.00 0.00 H new ATOM 1625 N PHE A 101 11.899 -2.932 3.111 1.00 0.00 N ATOM 1626 CA PHE A 101 11.117 -1.695 3.119 1.00 0.00 C ATOM 1627 C PHE A 101 9.697 -1.940 3.625 1.00 0.00 C ATOM 1628 O PHE A 101 8.900 -1.006 3.730 1.00 0.00 O ATOM 1629 CB PHE A 101 11.055 -1.101 1.704 1.00 0.00 C ATOM 1630 CG PHE A 101 12.403 -0.962 1.042 1.00 0.00 C ATOM 1631 CD1 PHE A 101 13.258 0.074 1.385 1.00 0.00 C ATOM 1632 CD2 PHE A 101 12.813 -1.870 0.075 1.00 0.00 C ATOM 1633 CE1 PHE A 101 14.493 0.202 0.776 1.00 0.00 C ATOM 1634 CE2 PHE A 101 14.045 -1.746 -0.534 1.00 0.00 C ATOM 1635 CZ PHE A 101 14.886 -0.707 -0.183 1.00 0.00 C ATOM 0 H PHE A 101 12.045 -3.323 2.180 1.00 0.00 H new ATOM 0 HA PHE A 101 11.610 -0.995 3.793 1.00 0.00 H new ATOM 0 HB2 PHE A 101 10.419 -1.732 1.083 1.00 0.00 H new ATOM 0 HB3 PHE A 101 10.582 -0.120 1.752 1.00 0.00 H new ATOM 0 HD1 PHE A 101 12.956 0.789 2.136 1.00 0.00 H new ATOM 0 HD2 PHE A 101 12.160 -2.683 -0.204 1.00 0.00 H new ATOM 0 HE1 PHE A 101 15.150 1.014 1.052 1.00 0.00 H new ATOM 0 HE2 PHE A 101 14.352 -2.460 -1.284 1.00 0.00 H new ATOM 0 HZ PHE A 101 15.850 -0.607 -0.660 1.00 0.00 H new ATOM 1645 N ASP A 102 9.394 -3.196 3.936 1.00 0.00 N ATOM 1646 CA ASP A 102 8.051 -3.608 4.358 1.00 0.00 C ATOM 1647 C ASP A 102 7.530 -2.732 5.499 1.00 0.00 C ATOM 1648 O ASP A 102 6.374 -2.299 5.490 1.00 0.00 O ATOM 1649 CB ASP A 102 8.078 -5.076 4.791 1.00 0.00 C ATOM 1650 CG ASP A 102 6.701 -5.719 4.797 1.00 0.00 C ATOM 1651 OD1 ASP A 102 6.285 -6.241 3.738 1.00 0.00 O ATOM 1652 OD2 ASP A 102 6.045 -5.729 5.855 1.00 0.00 O ATOM 0 H ASP A 102 10.069 -3.960 3.904 1.00 0.00 H new ATOM 0 HA ASP A 102 7.374 -3.488 3.512 1.00 0.00 H new ATOM 0 HB2 ASP A 102 8.731 -5.635 4.121 1.00 0.00 H new ATOM 0 HB3 ASP A 102 8.510 -5.147 5.789 1.00 0.00 H new ATOM 1657 N ALA A 103 8.398 -2.457 6.471 1.00 0.00 N ATOM 1658 CA ALA A 103 8.052 -1.583 7.593 1.00 0.00 C ATOM 1659 C ALA A 103 7.660 -0.194 7.085 1.00 0.00 C ATOM 1660 O ALA A 103 6.692 0.410 7.555 1.00 0.00 O ATOM 1661 CB ALA A 103 9.222 -1.490 8.568 1.00 0.00 C ATOM 0 H ALA A 103 9.348 -2.827 6.505 1.00 0.00 H new ATOM 0 HA ALA A 103 7.197 -2.008 8.119 1.00 0.00 H new ATOM 0 HB1 ALA A 103 8.953 -0.837 9.398 1.00 0.00 H new ATOM 0 HB2 ALA A 103 9.458 -2.484 8.949 1.00 0.00 H new ATOM 0 HB3 ALA A 103 10.093 -1.083 8.054 1.00 0.00 H new ATOM 1667 N ALA A 104 8.408 0.290 6.099 1.00 0.00 N ATOM 1668 CA ALA A 104 8.136 1.584 5.482 1.00 0.00 C ATOM 1669 C ALA A 104 6.783 1.562 4.778 1.00 0.00 C ATOM 1670 O ALA A 104 6.040 2.551 4.789 1.00 0.00 O ATOM 1671 CB ALA A 104 9.245 1.943 4.497 1.00 0.00 C ATOM 0 H ALA A 104 9.213 -0.198 5.707 1.00 0.00 H new ATOM 0 HA ALA A 104 8.106 2.344 6.263 1.00 0.00 H new ATOM 0 HB1 ALA A 104 9.030 2.911 4.044 1.00 0.00 H new ATOM 0 HB2 ALA A 104 10.198 1.993 5.024 1.00 0.00 H new ATOM 0 HB3 ALA A 104 9.301 1.182 3.719 1.00 0.00 H new ATOM 1677 N GLN A 105 6.463 0.416 4.185 1.00 0.00 N ATOM 1678 CA GLN A 105 5.199 0.243 3.481 1.00 0.00 C ATOM 1679 C GLN A 105 4.050 0.305 4.479 1.00 0.00 C ATOM 1680 O GLN A 105 2.990 0.858 4.190 1.00 0.00 O ATOM 1681 CB GLN A 105 5.170 -1.091 2.718 1.00 0.00 C ATOM 1682 CG GLN A 105 6.388 -1.339 1.825 1.00 0.00 C ATOM 1683 CD GLN A 105 6.843 -0.100 1.070 1.00 0.00 C ATOM 1684 OE1 GLN A 105 6.354 0.201 -0.012 1.00 0.00 O ATOM 1685 NE2 GLN A 105 7.813 0.611 1.624 1.00 0.00 N ATOM 0 H GLN A 105 7.064 -0.408 4.179 1.00 0.00 H new ATOM 0 HA GLN A 105 5.092 1.047 2.753 1.00 0.00 H new ATOM 0 HB2 GLN A 105 5.092 -1.905 3.438 1.00 0.00 H new ATOM 0 HB3 GLN A 105 4.271 -1.123 2.102 1.00 0.00 H new ATOM 0 HG2 GLN A 105 7.211 -1.705 2.439 1.00 0.00 H new ATOM 0 HG3 GLN A 105 6.151 -2.126 1.109 1.00 0.00 H new ATOM 0 HE21 GLN A 105 8.198 0.332 2.527 1.00 0.00 H new ATOM 0 HE22 GLN A 105 8.175 1.437 1.148 1.00 0.00 H new ATOM 1694 N SER A 106 4.285 -0.248 5.667 1.00 0.00 N ATOM 1695 CA SER A 106 3.303 -0.218 6.744 1.00 0.00 C ATOM 1696 C SER A 106 3.003 1.224 7.158 1.00 0.00 C ATOM 1697 O SER A 106 1.866 1.558 7.498 1.00 0.00 O ATOM 1698 CB SER A 106 3.810 -1.024 7.946 1.00 0.00 C ATOM 1699 OG SER A 106 4.044 -2.379 7.596 1.00 0.00 O ATOM 0 H SER A 106 5.154 -0.725 5.907 1.00 0.00 H new ATOM 0 HA SER A 106 2.379 -0.671 6.383 1.00 0.00 H new ATOM 0 HB2 SER A 106 4.731 -0.579 8.323 1.00 0.00 H new ATOM 0 HB3 SER A 106 3.079 -0.976 8.753 1.00 0.00 H new ATOM 0 HG SER A 106 4.765 -2.426 6.934 1.00 0.00 H new ATOM 1705 N ARG A 107 4.029 2.076 7.114 1.00 0.00 N ATOM 1706 CA ARG A 107 3.871 3.491 7.447 1.00 0.00 C ATOM 1707 C ARG A 107 2.870 4.145 6.495 1.00 0.00 C ATOM 1708 O ARG A 107 1.937 4.825 6.924 1.00 0.00 O ATOM 1709 CB ARG A 107 5.229 4.221 7.385 1.00 0.00 C ATOM 1710 CG ARG A 107 5.611 4.941 8.679 1.00 0.00 C ATOM 1711 CD ARG A 107 4.593 6.011 9.069 1.00 0.00 C ATOM 1712 NE ARG A 107 4.537 7.120 8.107 1.00 0.00 N ATOM 1713 CZ ARG A 107 4.552 8.412 8.454 1.00 0.00 C ATOM 1714 NH1 ARG A 107 4.757 8.762 9.718 1.00 0.00 N ATOM 1715 NH2 ARG A 107 4.403 9.349 7.527 1.00 0.00 N ATOM 0 H ARG A 107 4.978 1.810 6.851 1.00 0.00 H new ATOM 0 HA ARG A 107 3.490 3.567 8.465 1.00 0.00 H new ATOM 0 HB2 ARG A 107 6.007 3.498 7.141 1.00 0.00 H new ATOM 0 HB3 ARG A 107 5.202 4.947 6.572 1.00 0.00 H new ATOM 0 HG2 ARG A 107 5.697 4.213 9.486 1.00 0.00 H new ATOM 0 HG3 ARG A 107 6.592 5.402 8.560 1.00 0.00 H new ATOM 0 HD2 ARG A 107 3.606 5.555 9.149 1.00 0.00 H new ATOM 0 HD3 ARG A 107 4.844 6.403 10.055 1.00 0.00 H new ATOM 0 HE ARG A 107 4.483 6.891 7.114 1.00 0.00 H new ATOM 0 HH11 ARG A 107 4.904 8.045 10.428 1.00 0.00 H new ATOM 0 HH12 ARG A 107 4.768 9.748 9.979 1.00 0.00 H new ATOM 0 HH21 ARG A 107 4.277 9.084 6.550 1.00 0.00 H new ATOM 0 HH22 ARG A 107 4.414 10.334 7.791 1.00 0.00 H new ATOM 1729 N VAL A 108 3.066 3.927 5.199 1.00 0.00 N ATOM 1730 CA VAL A 108 2.156 4.460 4.189 1.00 0.00 C ATOM 1731 C VAL A 108 0.767 3.836 4.344 1.00 0.00 C ATOM 1732 O VAL A 108 -0.247 4.533 4.338 1.00 0.00 O ATOM 1733 CB VAL A 108 2.688 4.195 2.760 1.00 0.00 C ATOM 1734 CG1 VAL A 108 1.691 4.667 1.698 1.00 0.00 C ATOM 1735 CG2 VAL A 108 4.044 4.869 2.568 1.00 0.00 C ATOM 0 H VAL A 108 3.845 3.386 4.823 1.00 0.00 H new ATOM 0 HA VAL A 108 2.088 5.538 4.338 1.00 0.00 H new ATOM 0 HB VAL A 108 2.812 3.119 2.639 1.00 0.00 H new ATOM 0 HG11 VAL A 108 2.095 4.467 0.705 1.00 0.00 H new ATOM 0 HG12 VAL A 108 0.749 4.133 1.821 1.00 0.00 H new ATOM 0 HG13 VAL A 108 1.519 5.737 1.810 1.00 0.00 H new ATOM 0 HG21 VAL A 108 4.407 4.675 1.559 1.00 0.00 H new ATOM 0 HG22 VAL A 108 3.940 5.944 2.716 1.00 0.00 H new ATOM 0 HG23 VAL A 108 4.754 4.470 3.292 1.00 0.00 H new ATOM 1745 N TYR A 109 0.753 2.516 4.509 1.00 0.00 N ATOM 1746 CA TYR A 109 -0.479 1.745 4.675 1.00 0.00 C ATOM 1747 C TYR A 109 -1.355 2.316 5.794 1.00 0.00 C ATOM 1748 O TYR A 109 -2.559 2.501 5.609 1.00 0.00 O ATOM 1749 CB TYR A 109 -0.115 0.265 4.942 1.00 0.00 C ATOM 1750 CG TYR A 109 -1.184 -0.556 5.658 1.00 0.00 C ATOM 1751 CD1 TYR A 109 -1.298 -0.525 7.048 1.00 0.00 C ATOM 1752 CD2 TYR A 109 -2.069 -1.362 4.949 1.00 0.00 C ATOM 1753 CE1 TYR A 109 -2.261 -1.267 7.703 1.00 0.00 C ATOM 1754 CE2 TYR A 109 -3.035 -2.108 5.602 1.00 0.00 C ATOM 1755 CZ TYR A 109 -3.127 -2.055 6.978 1.00 0.00 C ATOM 1756 OH TYR A 109 -4.095 -2.782 7.632 1.00 0.00 O ATOM 0 H TYR A 109 1.599 1.947 4.532 1.00 0.00 H new ATOM 0 HA TYR A 109 -1.066 1.811 3.759 1.00 0.00 H new ATOM 0 HB2 TYR A 109 0.108 -0.214 3.989 1.00 0.00 H new ATOM 0 HB3 TYR A 109 0.799 0.235 5.535 1.00 0.00 H new ATOM 0 HD1 TYR A 109 -0.621 0.090 7.622 1.00 0.00 H new ATOM 0 HD2 TYR A 109 -2.001 -1.406 3.872 1.00 0.00 H new ATOM 0 HE1 TYR A 109 -2.335 -1.229 8.780 1.00 0.00 H new ATOM 0 HE2 TYR A 109 -3.714 -2.729 5.037 1.00 0.00 H new ATOM 0 HH TYR A 109 -4.660 -2.177 8.156 1.00 0.00 H new ATOM 1766 N GLN A 110 -0.752 2.606 6.950 1.00 0.00 N ATOM 1767 CA GLN A 110 -1.518 3.076 8.107 1.00 0.00 C ATOM 1768 C GLN A 110 -2.034 4.497 7.875 1.00 0.00 C ATOM 1769 O GLN A 110 -3.103 4.862 8.371 1.00 0.00 O ATOM 1770 CB GLN A 110 -0.692 2.964 9.409 1.00 0.00 C ATOM 1771 CG GLN A 110 0.500 3.915 9.525 1.00 0.00 C ATOM 1772 CD GLN A 110 0.154 5.223 10.222 1.00 0.00 C ATOM 1773 OE1 GLN A 110 -0.218 6.205 9.588 1.00 0.00 O ATOM 1774 NE2 GLN A 110 0.264 5.234 11.542 1.00 0.00 N ATOM 0 H GLN A 110 0.252 2.525 7.109 1.00 0.00 H new ATOM 0 HA GLN A 110 -2.387 2.429 8.227 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -1.357 3.140 10.255 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -0.327 1.941 9.498 1.00 0.00 H new ATOM 0 HG2 GLN A 110 1.301 3.419 10.073 1.00 0.00 H new ATOM 0 HG3 GLN A 110 0.883 4.132 8.528 1.00 0.00 H new ATOM 0 HE21 GLN A 110 0.577 4.397 12.035 1.00 0.00 H new ATOM 0 HE22 GLN A 110 0.036 6.079 12.066 1.00 0.00 H new ATOM 1783 N LEU A 111 -1.279 5.290 7.110 1.00 0.00 N ATOM 1784 CA LEU A 111 -1.738 6.616 6.688 1.00 0.00 C ATOM 1785 C LEU A 111 -2.987 6.467 5.823 1.00 0.00 C ATOM 1786 O LEU A 111 -4.006 7.119 6.048 1.00 0.00 O ATOM 1787 CB LEU A 111 -0.640 7.347 5.894 1.00 0.00 C ATOM 1788 CG LEU A 111 0.636 7.695 6.679 1.00 0.00 C ATOM 1789 CD1 LEU A 111 1.713 8.237 5.742 1.00 0.00 C ATOM 1790 CD2 LEU A 111 0.332 8.704 7.785 1.00 0.00 C ATOM 0 H LEU A 111 -0.350 5.038 6.771 1.00 0.00 H new ATOM 0 HA LEU A 111 -1.971 7.205 7.575 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -0.362 6.728 5.041 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -1.061 8.270 5.494 1.00 0.00 H new ATOM 0 HG LEU A 111 1.010 6.782 7.142 1.00 0.00 H new ATOM 0 HD11 LEU A 111 2.608 8.477 6.316 1.00 0.00 H new ATOM 0 HD12 LEU A 111 1.955 7.484 4.992 1.00 0.00 H new ATOM 0 HD13 LEU A 111 1.346 9.137 5.248 1.00 0.00 H new ATOM 0 HD21 LEU A 111 1.248 8.936 8.328 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -0.070 9.616 7.345 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -0.400 8.280 8.473 1.00 0.00 H new ATOM 1802 N MET A 112 -2.890 5.572 4.847 1.00 0.00 N ATOM 1803 CA MET A 112 -3.992 5.277 3.937 1.00 0.00 C ATOM 1804 C MET A 112 -5.197 4.756 4.716 1.00 0.00 C ATOM 1805 O MET A 112 -6.341 5.088 4.414 1.00 0.00 O ATOM 1806 CB MET A 112 -3.539 4.235 2.903 1.00 0.00 C ATOM 1807 CG MET A 112 -2.353 4.689 2.057 1.00 0.00 C ATOM 1808 SD MET A 112 -1.512 3.321 1.231 1.00 0.00 S ATOM 1809 CE MET A 112 -2.839 2.638 0.249 1.00 0.00 C ATOM 0 H MET A 112 -2.046 5.030 4.664 1.00 0.00 H new ATOM 0 HA MET A 112 -4.284 6.192 3.421 1.00 0.00 H new ATOM 0 HB2 MET A 112 -3.273 3.313 3.421 1.00 0.00 H new ATOM 0 HB3 MET A 112 -4.376 4.001 2.245 1.00 0.00 H new ATOM 0 HG2 MET A 112 -2.699 5.401 1.308 1.00 0.00 H new ATOM 0 HG3 MET A 112 -1.641 5.216 2.692 1.00 0.00 H new ATOM 0 HE1 MET A 112 -2.437 2.255 -0.689 1.00 0.00 H new ATOM 0 HE2 MET A 112 -3.317 1.826 0.798 1.00 0.00 H new ATOM 0 HE3 MET A 112 -3.573 3.416 0.039 1.00 0.00 H new ATOM 1819 N GLU A 113 -4.922 3.952 5.735 1.00 0.00 N ATOM 1820 CA GLU A 113 -5.966 3.356 6.556 1.00 0.00 C ATOM 1821 C GLU A 113 -6.795 4.442 7.252 1.00 0.00 C ATOM 1822 O GLU A 113 -7.976 4.631 6.941 1.00 0.00 O ATOM 1823 CB GLU A 113 -5.339 2.401 7.586 1.00 0.00 C ATOM 1824 CG GLU A 113 -6.353 1.607 8.404 1.00 0.00 C ATOM 1825 CD GLU A 113 -5.689 0.614 9.351 1.00 0.00 C ATOM 1826 OE1 GLU A 113 -5.367 0.998 10.495 1.00 0.00 O ATOM 1827 OE2 GLU A 113 -5.481 -0.552 8.951 1.00 0.00 O ATOM 0 H GLU A 113 -3.975 3.696 6.014 1.00 0.00 H new ATOM 0 HA GLU A 113 -6.637 2.786 5.913 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -4.683 1.703 7.065 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -4.713 2.979 8.266 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -6.970 2.296 8.980 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -7.020 1.070 7.729 1.00 0.00 H new ATOM 1834 N GLN A 114 -6.158 5.181 8.155 1.00 0.00 N ATOM 1835 CA GLN A 114 -6.853 6.170 8.979 1.00 0.00 C ATOM 1836 C GLN A 114 -7.506 7.264 8.128 1.00 0.00 C ATOM 1837 O GLN A 114 -8.562 7.793 8.489 1.00 0.00 O ATOM 1838 CB GLN A 114 -5.884 6.790 9.998 1.00 0.00 C ATOM 1839 CG GLN A 114 -4.655 7.440 9.371 1.00 0.00 C ATOM 1840 CD GLN A 114 -3.669 7.964 10.403 1.00 0.00 C ATOM 1841 OE1 GLN A 114 -2.389 7.923 10.074 1.00 0.00 O flip ATOM 1842 NE2 GLN A 114 -4.057 8.382 11.497 1.00 0.00 N flip ATOM 0 H GLN A 114 -5.157 5.115 8.337 1.00 0.00 H new ATOM 0 HA GLN A 114 -7.650 5.652 9.513 1.00 0.00 H new ATOM 0 HB2 GLN A 114 -6.419 7.538 10.584 1.00 0.00 H new ATOM 0 HB3 GLN A 114 -5.558 6.015 10.692 1.00 0.00 H new ATOM 0 HG2 GLN A 114 -4.152 6.714 8.732 1.00 0.00 H new ATOM 0 HG3 GLN A 114 -4.973 8.262 8.730 1.00 0.00 H new ATOM 0 HE21 GLN A 114 -5.054 8.397 11.713 1.00 0.00 H new ATOM 0 HE22 GLN A 114 -3.381 8.712 12.186 1.00 0.00 H new ATOM 1851 N ASP A 115 -6.888 7.593 6.999 1.00 0.00 N ATOM 1852 CA ASP A 115 -7.394 8.658 6.133 1.00 0.00 C ATOM 1853 C ASP A 115 -8.371 8.129 5.080 1.00 0.00 C ATOM 1854 O ASP A 115 -9.571 8.386 5.159 1.00 0.00 O ATOM 1855 CB ASP A 115 -6.238 9.412 5.454 1.00 0.00 C ATOM 1856 CG ASP A 115 -5.535 10.385 6.394 1.00 0.00 C ATOM 1857 OD1 ASP A 115 -4.620 9.962 7.127 1.00 0.00 O ATOM 1858 OD2 ASP A 115 -5.903 11.582 6.405 1.00 0.00 O ATOM 0 H ASP A 115 -6.039 7.141 6.661 1.00 0.00 H new ATOM 0 HA ASP A 115 -7.940 9.352 6.772 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -5.513 8.692 5.075 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -6.623 9.959 4.593 1.00 0.00 H new ATOM 1863 N SER A 116 -7.865 7.381 4.103 1.00 0.00 N ATOM 1864 CA SER A 116 -8.664 7.027 2.930 1.00 0.00 C ATOM 1865 C SER A 116 -9.515 5.765 3.136 1.00 0.00 C ATOM 1866 O SER A 116 -10.551 5.617 2.485 1.00 0.00 O ATOM 1867 CB SER A 116 -7.757 6.889 1.697 1.00 0.00 C ATOM 1868 OG SER A 116 -6.558 6.198 2.007 1.00 0.00 O ATOM 0 H SER A 116 -6.915 7.011 4.098 1.00 0.00 H new ATOM 0 HA SER A 116 -9.371 7.840 2.768 1.00 0.00 H new ATOM 0 HB2 SER A 116 -8.291 6.358 0.909 1.00 0.00 H new ATOM 0 HB3 SER A 116 -7.517 7.879 1.308 1.00 0.00 H new ATOM 0 HG SER A 116 -6.709 5.611 2.777 1.00 0.00 H new ATOM 1874 N TYR A 117 -9.113 4.868 4.042 1.00 0.00 N ATOM 1875 CA TYR A 117 -9.869 3.628 4.255 1.00 0.00 C ATOM 1876 C TYR A 117 -11.192 3.918 4.961 1.00 0.00 C ATOM 1877 O TYR A 117 -12.227 3.347 4.614 1.00 0.00 O ATOM 1878 CB TYR A 117 -9.043 2.605 5.045 1.00 0.00 C ATOM 1879 CG TYR A 117 -9.831 1.390 5.509 1.00 0.00 C ATOM 1880 CD1 TYR A 117 -10.418 0.521 4.596 1.00 0.00 C ATOM 1881 CD2 TYR A 117 -9.989 1.120 6.866 1.00 0.00 C ATOM 1882 CE1 TYR A 117 -11.136 -0.581 5.020 1.00 0.00 C ATOM 1883 CE2 TYR A 117 -10.704 0.020 7.296 1.00 0.00 C ATOM 1884 CZ TYR A 117 -11.274 -0.827 6.370 1.00 0.00 C ATOM 1885 OH TYR A 117 -11.990 -1.920 6.798 1.00 0.00 O ATOM 0 H TYR A 117 -8.286 4.972 4.629 1.00 0.00 H new ATOM 0 HA TYR A 117 -10.089 3.196 3.279 1.00 0.00 H new ATOM 0 HB2 TYR A 117 -8.212 2.269 4.425 1.00 0.00 H new ATOM 0 HB3 TYR A 117 -8.612 3.098 5.916 1.00 0.00 H new ATOM 0 HD1 TYR A 117 -10.311 0.710 3.538 1.00 0.00 H new ATOM 0 HD2 TYR A 117 -9.545 1.782 7.594 1.00 0.00 H new ATOM 0 HE1 TYR A 117 -11.587 -1.246 4.298 1.00 0.00 H new ATOM 0 HE2 TYR A 117 -10.816 -0.176 8.352 1.00 0.00 H new ATOM 0 HH TYR A 117 -11.990 -2.606 6.098 1.00 0.00 H new ATOM 1895 N THR A 118 -11.154 4.808 5.942 1.00 0.00 N ATOM 1896 CA THR A 118 -12.360 5.224 6.649 1.00 0.00 C ATOM 1897 C THR A 118 -13.352 5.858 5.671 1.00 0.00 C ATOM 1898 O THR A 118 -14.520 5.455 5.587 1.00 0.00 O ATOM 1899 CB THR A 118 -12.018 6.227 7.775 1.00 0.00 C ATOM 1900 OG1 THR A 118 -11.217 7.293 7.246 1.00 0.00 O ATOM 1901 CG2 THR A 118 -11.263 5.541 8.911 1.00 0.00 C ATOM 0 H THR A 118 -10.299 5.258 6.268 1.00 0.00 H new ATOM 0 HA THR A 118 -12.814 4.341 7.098 1.00 0.00 H new ATOM 0 HB THR A 118 -12.952 6.625 8.171 1.00 0.00 H new ATOM 0 HG1 THR A 118 -10.382 7.358 7.755 1.00 0.00 H new ATOM 0 HG21 THR A 118 -11.035 6.270 9.689 1.00 0.00 H new ATOM 0 HG22 THR A 118 -11.879 4.745 9.329 1.00 0.00 H new ATOM 0 HG23 THR A 118 -10.335 5.118 8.527 1.00 0.00 H new ATOM 1909 N ARG A 119 -12.861 6.832 4.909 1.00 0.00 N ATOM 1910 CA ARG A 119 -13.666 7.496 3.891 1.00 0.00 C ATOM 1911 C ARG A 119 -14.174 6.480 2.864 1.00 0.00 C ATOM 1912 O ARG A 119 -15.298 6.588 2.374 1.00 0.00 O ATOM 1913 CB ARG A 119 -12.853 8.602 3.201 1.00 0.00 C ATOM 1914 CG ARG A 119 -12.322 9.668 4.156 1.00 0.00 C ATOM 1915 CD ARG A 119 -11.670 10.835 3.417 1.00 0.00 C ATOM 1916 NE ARG A 119 -10.535 10.422 2.578 1.00 0.00 N ATOM 1917 CZ ARG A 119 -9.268 10.798 2.790 1.00 0.00 C ATOM 1918 NH1 ARG A 119 -8.951 11.509 3.866 1.00 0.00 N ATOM 1919 NH2 ARG A 119 -8.318 10.450 1.933 1.00 0.00 N ATOM 0 H ARG A 119 -11.905 7.179 4.979 1.00 0.00 H new ATOM 0 HA ARG A 119 -14.528 7.955 4.376 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -12.013 8.148 2.676 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -13.478 9.082 2.448 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -13.141 10.042 4.771 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -11.595 9.218 4.832 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -12.417 11.325 2.792 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -11.328 11.572 4.143 1.00 0.00 H new ATOM 0 HE ARG A 119 -10.725 9.810 1.784 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -9.675 11.771 4.535 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -7.984 11.793 4.023 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -8.552 9.895 1.110 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -7.353 10.738 2.097 1.00 0.00 H new ATOM 1933 N PHE A 120 -13.343 5.483 2.558 1.00 0.00 N ATOM 1934 CA PHE A 120 -13.724 4.416 1.635 1.00 0.00 C ATOM 1935 C PHE A 120 -14.908 3.622 2.189 1.00 0.00 C ATOM 1936 O PHE A 120 -15.800 3.226 1.446 1.00 0.00 O ATOM 1937 CB PHE A 120 -12.539 3.477 1.361 1.00 0.00 C ATOM 1938 CG PHE A 120 -12.898 2.274 0.521 1.00 0.00 C ATOM 1939 CD1 PHE A 120 -13.251 2.422 -0.814 1.00 0.00 C ATOM 1940 CD2 PHE A 120 -12.894 0.997 1.069 1.00 0.00 C ATOM 1941 CE1 PHE A 120 -13.589 1.323 -1.582 1.00 0.00 C ATOM 1942 CE2 PHE A 120 -13.232 -0.103 0.303 1.00 0.00 C ATOM 1943 CZ PHE A 120 -13.580 0.060 -1.024 1.00 0.00 C ATOM 0 H PHE A 120 -12.400 5.393 2.937 1.00 0.00 H new ATOM 0 HA PHE A 120 -14.022 4.878 0.694 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -11.751 4.038 0.858 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -12.130 3.136 2.312 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -13.262 3.407 -1.257 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -12.624 0.862 2.106 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -13.860 1.453 -2.619 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -13.224 -1.090 0.742 1.00 0.00 H new ATOM 0 HZ PHE A 120 -13.844 -0.798 -1.624 1.00 0.00 H new ATOM 1953 N LEU A 121 -14.921 3.401 3.497 1.00 0.00 N ATOM 1954 CA LEU A 121 -16.021 2.680 4.132 1.00 0.00 C ATOM 1955 C LEU A 121 -17.322 3.474 4.019 1.00 0.00 C ATOM 1956 O LEU A 121 -18.411 2.902 4.022 1.00 0.00 O ATOM 1957 CB LEU A 121 -15.701 2.384 5.604 1.00 0.00 C ATOM 1958 CG LEU A 121 -14.524 1.423 5.834 1.00 0.00 C ATOM 1959 CD1 LEU A 121 -14.297 1.194 7.326 1.00 0.00 C ATOM 1960 CD2 LEU A 121 -14.759 0.096 5.110 1.00 0.00 C ATOM 0 H LEU A 121 -14.188 3.708 4.137 1.00 0.00 H new ATOM 0 HA LEU A 121 -16.149 1.731 3.611 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -15.486 3.325 6.109 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -16.590 1.965 6.076 1.00 0.00 H new ATOM 0 HG LEU A 121 -13.625 1.880 5.421 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -13.459 0.511 7.466 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -14.075 2.145 7.810 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -15.195 0.763 7.769 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -13.914 -0.569 5.286 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -15.671 -0.368 5.487 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -14.860 0.278 4.040 1.00 0.00 H new ATOM 1972 N LYS A 122 -17.202 4.798 3.926 1.00 0.00 N ATOM 1973 CA LYS A 122 -18.372 5.669 3.785 1.00 0.00 C ATOM 1974 C LYS A 122 -18.552 6.151 2.340 1.00 0.00 C ATOM 1975 O LYS A 122 -19.474 6.918 2.044 1.00 0.00 O ATOM 1976 CB LYS A 122 -18.255 6.868 4.741 1.00 0.00 C ATOM 1977 CG LYS A 122 -18.169 6.497 6.228 1.00 0.00 C ATOM 1978 CD LYS A 122 -19.514 6.038 6.819 1.00 0.00 C ATOM 1979 CE LYS A 122 -19.919 4.634 6.370 1.00 0.00 C ATOM 1980 NZ LYS A 122 -21.205 4.204 6.974 1.00 0.00 N ATOM 0 H LYS A 122 -16.310 5.291 3.946 1.00 0.00 H new ATOM 0 HA LYS A 122 -19.255 5.086 4.047 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -17.370 7.444 4.473 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -19.116 7.519 4.592 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -17.434 5.702 6.355 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -17.808 7.358 6.790 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -19.453 6.061 7.907 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -20.292 6.744 6.528 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -20.004 4.612 5.284 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -19.136 3.927 6.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -21.441 3.247 6.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -21.118 4.200 8.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -21.958 4.864 6.693 1.00 0.00 H new ATOM 1994 N SER A 123 -17.679 5.699 1.441 1.00 0.00 N ATOM 1995 CA SER A 123 -17.746 6.103 0.037 1.00 0.00 C ATOM 1996 C SER A 123 -18.927 5.431 -0.663 1.00 0.00 C ATOM 1997 O SER A 123 -19.238 4.268 -0.398 1.00 0.00 O ATOM 1998 CB SER A 123 -16.447 5.743 -0.690 1.00 0.00 C ATOM 1999 OG SER A 123 -16.323 4.340 -0.847 1.00 0.00 O ATOM 0 H SER A 123 -16.919 5.055 1.659 1.00 0.00 H new ATOM 0 HA SER A 123 -17.884 7.184 0.006 1.00 0.00 H new ATOM 0 HB2 SER A 123 -16.428 6.225 -1.668 1.00 0.00 H new ATOM 0 HB3 SER A 123 -15.594 6.126 -0.129 1.00 0.00 H new ATOM 0 HG SER A 123 -16.445 3.902 0.021 1.00 0.00 H new ATOM 2005 N ASP A 124 -19.568 6.163 -1.567 1.00 0.00 N ATOM 2006 CA ASP A 124 -20.700 5.642 -2.331 1.00 0.00 C ATOM 2007 C ASP A 124 -20.295 4.418 -3.156 1.00 0.00 C ATOM 2008 O ASP A 124 -21.134 3.567 -3.467 1.00 0.00 O ATOM 2009 CB ASP A 124 -21.270 6.734 -3.244 1.00 0.00 C ATOM 2010 CG ASP A 124 -21.857 7.898 -2.459 1.00 0.00 C ATOM 2011 OD1 ASP A 124 -21.094 8.581 -1.744 1.00 0.00 O ATOM 2012 OD2 ASP A 124 -23.084 8.134 -2.543 1.00 0.00 O ATOM 0 H ASP A 124 -19.322 7.127 -1.791 1.00 0.00 H new ATOM 0 HA ASP A 124 -21.470 5.332 -1.625 1.00 0.00 H new ATOM 0 HB2 ASP A 124 -20.482 7.103 -3.901 1.00 0.00 H new ATOM 0 HB3 ASP A 124 -22.042 6.304 -3.882 1.00 0.00 H new ATOM 2017 N ILE A 125 -19.009 4.326 -3.503 1.00 0.00 N ATOM 2018 CA ILE A 125 -18.501 3.177 -4.251 1.00 0.00 C ATOM 2019 C ILE A 125 -18.572 1.924 -3.370 1.00 0.00 C ATOM 2020 O ILE A 125 -18.894 0.836 -3.848 1.00 0.00 O ATOM 2021 CB ILE A 125 -17.052 3.427 -4.787 1.00 0.00 C ATOM 2022 CG1 ILE A 125 -16.653 2.406 -5.883 1.00 0.00 C ATOM 2023 CG2 ILE A 125 -16.028 3.421 -3.654 1.00 0.00 C ATOM 2024 CD1 ILE A 125 -16.234 1.038 -5.373 1.00 0.00 C ATOM 0 H ILE A 125 -18.305 5.030 -3.279 1.00 0.00 H new ATOM 0 HA ILE A 125 -19.129 3.025 -5.129 1.00 0.00 H new ATOM 0 HB ILE A 125 -17.054 4.418 -5.242 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -17.495 2.280 -6.563 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -15.833 2.825 -6.466 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -15.033 3.598 -4.062 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -16.272 4.207 -2.939 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -16.048 2.454 -3.151 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -15.975 0.399 -6.217 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -15.369 1.143 -4.718 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -17.057 0.589 -4.817 1.00 0.00 H new ATOM 2036 N TYR A 126 -18.312 2.086 -2.070 1.00 0.00 N ATOM 2037 CA TYR A 126 -18.465 0.979 -1.127 1.00 0.00 C ATOM 2038 C TYR A 126 -19.935 0.561 -1.048 1.00 0.00 C ATOM 2039 O TYR A 126 -20.255 -0.626 -0.967 1.00 0.00 O ATOM 2040 CB TYR A 126 -17.945 1.359 0.265 1.00 0.00 C ATOM 2041 CG TYR A 126 -18.101 0.248 1.291 1.00 0.00 C ATOM 2042 CD1 TYR A 126 -17.302 -0.891 1.238 1.00 0.00 C ATOM 2043 CD2 TYR A 126 -19.056 0.331 2.302 1.00 0.00 C ATOM 2044 CE1 TYR A 126 -17.449 -1.911 2.160 1.00 0.00 C ATOM 2045 CE2 TYR A 126 -19.208 -0.686 3.226 1.00 0.00 C ATOM 2046 CZ TYR A 126 -18.402 -1.804 3.151 1.00 0.00 C ATOM 2047 OH TYR A 126 -18.554 -2.820 4.065 1.00 0.00 O ATOM 0 H TYR A 126 -17.999 2.962 -1.652 1.00 0.00 H new ATOM 0 HA TYR A 126 -17.872 0.139 -1.488 1.00 0.00 H new ATOM 0 HB2 TYR A 126 -16.892 1.629 0.190 1.00 0.00 H new ATOM 0 HB3 TYR A 126 -18.477 2.244 0.615 1.00 0.00 H new ATOM 0 HD1 TYR A 126 -16.555 -0.979 0.463 1.00 0.00 H new ATOM 0 HD2 TYR A 126 -19.688 1.204 2.365 1.00 0.00 H new ATOM 0 HE1 TYR A 126 -16.820 -2.787 2.104 1.00 0.00 H new ATOM 0 HE2 TYR A 126 -19.954 -0.606 4.003 1.00 0.00 H new ATOM 0 HH TYR A 126 -17.853 -3.491 3.928 1.00 0.00 H new ATOM 2057 N LEU A 127 -20.828 1.548 -1.090 1.00 0.00 N ATOM 2058 CA LEU A 127 -22.269 1.285 -1.088 1.00 0.00 C ATOM 2059 C LEU A 127 -22.688 0.547 -2.364 1.00 0.00 C ATOM 2060 O LEU A 127 -23.721 -0.128 -2.390 1.00 0.00 O ATOM 2061 CB LEU A 127 -23.065 2.593 -0.925 1.00 0.00 C ATOM 2062 CG LEU A 127 -23.192 3.122 0.519 1.00 0.00 C ATOM 2063 CD1 LEU A 127 -23.901 2.106 1.410 1.00 0.00 C ATOM 2064 CD2 LEU A 127 -21.827 3.489 1.098 1.00 0.00 C ATOM 0 H LEU A 127 -20.581 2.537 -1.126 1.00 0.00 H new ATOM 0 HA LEU A 127 -22.495 0.644 -0.236 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -22.592 3.363 -1.534 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -24.067 2.440 -1.326 1.00 0.00 H new ATOM 0 HG LEU A 127 -23.796 4.029 0.487 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -23.978 2.502 2.423 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -24.900 1.913 1.018 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -23.332 1.177 1.426 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -21.951 3.858 2.116 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -21.187 2.607 1.107 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -21.368 4.264 0.484 1.00 0.00 H new ATOM 2076 N ASP A 128 -21.877 0.676 -3.412 1.00 0.00 N ATOM 2077 CA ASP A 128 -22.084 -0.076 -4.652 1.00 0.00 C ATOM 2078 C ASP A 128 -21.686 -1.536 -4.441 1.00 0.00 C ATOM 2079 O ASP A 128 -22.287 -2.450 -5.009 1.00 0.00 O ATOM 2080 CB ASP A 128 -21.264 0.545 -5.798 1.00 0.00 C ATOM 2081 CG ASP A 128 -21.456 -0.170 -7.131 1.00 0.00 C ATOM 2082 OD1 ASP A 128 -22.449 0.125 -7.830 1.00 0.00 O ATOM 2083 OD2 ASP A 128 -20.613 -1.023 -7.494 1.00 0.00 O ATOM 0 H ASP A 128 -21.067 1.296 -3.429 1.00 0.00 H new ATOM 0 HA ASP A 128 -23.139 -0.032 -4.923 1.00 0.00 H new ATOM 0 HB2 ASP A 128 -21.545 1.592 -5.911 1.00 0.00 H new ATOM 0 HB3 ASP A 128 -20.207 0.526 -5.532 1.00 0.00 H new ATOM 2088 N LEU A 129 -20.673 -1.739 -3.599 1.00 0.00 N ATOM 2089 CA LEU A 129 -20.192 -3.078 -3.253 1.00 0.00 C ATOM 2090 C LEU A 129 -21.185 -3.791 -2.333 1.00 0.00 C ATOM 2091 O LEU A 129 -21.197 -5.018 -2.250 1.00 0.00 O ATOM 2092 CB LEU A 129 -18.827 -2.992 -2.556 1.00 0.00 C ATOM 2093 CG LEU A 129 -17.738 -2.223 -3.326 1.00 0.00 C ATOM 2094 CD1 LEU A 129 -16.455 -2.134 -2.503 1.00 0.00 C ATOM 2095 CD2 LEU A 129 -17.469 -2.871 -4.682 1.00 0.00 C ATOM 0 H LEU A 129 -20.164 -0.984 -3.139 1.00 0.00 H new ATOM 0 HA LEU A 129 -20.092 -3.647 -4.177 1.00 0.00 H new ATOM 0 HB2 LEU A 129 -18.964 -2.518 -1.584 1.00 0.00 H new ATOM 0 HB3 LEU A 129 -18.469 -4.005 -2.369 1.00 0.00 H new ATOM 0 HG LEU A 129 -18.100 -1.210 -3.503 1.00 0.00 H new ATOM 0 HD11 LEU A 129 -15.699 -1.587 -3.066 1.00 0.00 H new ATOM 0 HD12 LEU A 129 -16.658 -1.613 -1.567 1.00 0.00 H new ATOM 0 HD13 LEU A 129 -16.091 -3.138 -2.287 1.00 0.00 H new ATOM 0 HD21 LEU A 129 -16.696 -2.309 -5.207 1.00 0.00 H new ATOM 0 HD22 LEU A 129 -17.135 -3.898 -4.535 1.00 0.00 H new ATOM 0 HD23 LEU A 129 -18.384 -2.869 -5.274 1.00 0.00 H new ATOM 2107 N MET A 130 -21.998 -3.003 -1.629 1.00 0.00 N ATOM 2108 CA MET A 130 -22.998 -3.543 -0.709 1.00 0.00 C ATOM 2109 C MET A 130 -24.002 -4.427 -1.450 1.00 0.00 C ATOM 2110 O MET A 130 -24.013 -5.644 -1.272 1.00 0.00 O ATOM 2111 CB MET A 130 -23.738 -2.405 0.018 1.00 0.00 C ATOM 2112 CG MET A 130 -22.887 -1.614 1.013 1.00 0.00 C ATOM 2113 SD MET A 130 -22.906 -2.302 2.687 1.00 0.00 S ATOM 2114 CE MET A 130 -21.970 -3.816 2.483 1.00 0.00 C ATOM 0 H MET A 130 -21.983 -1.984 -1.679 1.00 0.00 H new ATOM 0 HA MET A 130 -22.477 -4.153 0.029 1.00 0.00 H new ATOM 0 HB2 MET A 130 -24.135 -1.715 -0.727 1.00 0.00 H new ATOM 0 HB3 MET A 130 -24.592 -2.827 0.548 1.00 0.00 H new ATOM 0 HG2 MET A 130 -21.858 -1.582 0.654 1.00 0.00 H new ATOM 0 HG3 MET A 130 -23.245 -0.585 1.048 1.00 0.00 H new ATOM 0 HE1 MET A 130 -21.373 -3.998 3.377 1.00 0.00 H new ATOM 0 HE2 MET A 130 -22.655 -4.649 2.329 1.00 0.00 H new ATOM 0 HE3 MET A 130 -21.312 -3.723 1.619 1.00 0.00 H new ATOM 2124 N GLU A 131 -24.842 -3.801 -2.281 1.00 0.00 N ATOM 2125 CA GLU A 131 -25.888 -4.519 -3.018 1.00 0.00 C ATOM 2126 C GLU A 131 -26.729 -5.360 -2.044 1.00 0.00 C ATOM 2127 O GLU A 131 -27.213 -6.447 -2.372 1.00 0.00 O ATOM 2128 CB GLU A 131 -25.252 -5.387 -4.124 1.00 0.00 C ATOM 2129 CG GLU A 131 -26.256 -6.046 -5.073 1.00 0.00 C ATOM 2130 CD GLU A 131 -27.230 -5.055 -5.692 1.00 0.00 C ATOM 2131 OE1 GLU A 131 -26.860 -4.385 -6.681 1.00 0.00 O ATOM 2132 OE2 GLU A 131 -28.376 -4.950 -5.200 1.00 0.00 O ATOM 0 H GLU A 131 -24.818 -2.797 -2.460 1.00 0.00 H new ATOM 0 HA GLU A 131 -26.554 -3.804 -3.501 1.00 0.00 H new ATOM 0 HB2 GLU A 131 -24.572 -4.767 -4.709 1.00 0.00 H new ATOM 0 HB3 GLU A 131 -24.650 -6.165 -3.656 1.00 0.00 H new ATOM 0 HG2 GLU A 131 -25.714 -6.558 -5.868 1.00 0.00 H new ATOM 0 HG3 GLU A 131 -26.817 -6.806 -4.529 1.00 0.00 H new ATOM 2139 N GLY A 132 -26.907 -4.824 -0.839 1.00 0.00 N ATOM 2140 CA GLY A 132 -27.651 -5.514 0.197 1.00 0.00 C ATOM 2141 C GLY A 132 -29.142 -5.288 0.069 1.00 0.00 C ATOM 2142 O GLY A 132 -29.774 -4.714 0.961 1.00 0.00 O ATOM 0 H GLY A 132 -26.543 -3.912 -0.561 1.00 0.00 H new ATOM 0 HA2 GLY A 132 -27.440 -6.582 0.145 1.00 0.00 H new ATOM 0 HA3 GLY A 132 -27.315 -5.170 1.175 1.00 0.00 H new ATOM 2146 N ARG A 133 -29.695 -5.713 -1.060 1.00 0.00 N ATOM 2147 CA ARG A 133 -31.125 -5.582 -1.325 1.00 0.00 C ATOM 2148 C ARG A 133 -31.912 -6.641 -0.548 1.00 0.00 C ATOM 2149 O ARG A 133 -31.730 -7.840 -0.775 1.00 0.00 O ATOM 2150 CB ARG A 133 -31.401 -5.723 -2.826 1.00 0.00 C ATOM 2151 CG ARG A 133 -32.873 -5.566 -3.195 1.00 0.00 C ATOM 2152 CD ARG A 133 -33.112 -5.793 -4.682 1.00 0.00 C ATOM 2153 NE ARG A 133 -32.339 -4.868 -5.518 1.00 0.00 N ATOM 2154 CZ ARG A 133 -32.651 -4.563 -6.778 1.00 0.00 C ATOM 2155 NH1 ARG A 133 -33.738 -5.076 -7.337 1.00 0.00 N ATOM 2156 NH2 ARG A 133 -31.878 -3.738 -7.472 1.00 0.00 N ATOM 0 H ARG A 133 -29.170 -6.156 -1.814 1.00 0.00 H new ATOM 0 HA ARG A 133 -31.448 -4.594 -0.996 1.00 0.00 H new ATOM 0 HB2 ARG A 133 -30.818 -4.976 -3.366 1.00 0.00 H new ATOM 0 HB3 ARG A 133 -31.054 -6.701 -3.160 1.00 0.00 H new ATOM 0 HG2 ARG A 133 -33.469 -6.274 -2.619 1.00 0.00 H new ATOM 0 HG3 ARG A 133 -33.212 -4.567 -2.921 1.00 0.00 H new ATOM 0 HD2 ARG A 133 -32.847 -6.819 -4.938 1.00 0.00 H new ATOM 0 HD3 ARG A 133 -34.174 -5.675 -4.899 1.00 0.00 H new ATOM 0 HE ARG A 133 -31.512 -4.431 -5.110 1.00 0.00 H new ATOM 0 HH11 ARG A 133 -34.337 -5.705 -6.803 1.00 0.00 H new ATOM 0 HH12 ARG A 133 -33.975 -4.841 -8.301 1.00 0.00 H new ATOM 0 HH21 ARG A 133 -31.045 -3.337 -7.042 1.00 0.00 H new ATOM 0 HH22 ARG A 133 -32.117 -3.505 -8.436 1.00 0.00 H new ATOM 2170 N PRO A 134 -32.790 -6.218 0.382 1.00 0.00 N ATOM 2171 CA PRO A 134 -33.592 -7.140 1.188 1.00 0.00 C ATOM 2172 C PRO A 134 -34.848 -7.628 0.457 1.00 0.00 C ATOM 2173 O PRO A 134 -35.237 -7.075 -0.576 1.00 0.00 O ATOM 2174 CB PRO A 134 -33.966 -6.283 2.401 1.00 0.00 C ATOM 2175 CG PRO A 134 -34.077 -4.900 1.852 1.00 0.00 C ATOM 2176 CD PRO A 134 -33.067 -4.807 0.730 1.00 0.00 C ATOM 0 HA PRO A 134 -33.051 -8.054 1.435 1.00 0.00 H new ATOM 0 HB2 PRO A 134 -34.905 -6.611 2.846 1.00 0.00 H new ATOM 0 HB3 PRO A 134 -33.206 -6.342 3.180 1.00 0.00 H new ATOM 0 HG2 PRO A 134 -35.085 -4.707 1.485 1.00 0.00 H new ATOM 0 HG3 PRO A 134 -33.871 -4.158 2.623 1.00 0.00 H new ATOM 0 HD2 PRO A 134 -33.466 -4.256 -0.122 1.00 0.00 H new ATOM 0 HD3 PRO A 134 -32.162 -4.289 1.049 1.00 0.00 H new TER 2184 PRO A 134