USER MOD reduce.3.24.130724 H: found=0, std=0, add=1338, rem=0, adj=47 USER MOD reduce.3.24.130724 removed 1338 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 4 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 167 LYS NZ :NH3+ 161:sc= 1.54 (180deg=1.35) USER MOD Set 2.1: A 145 SER OG : rot 127:sc= 1.34 USER MOD Set 2.2: A 148 THR OG1 : rot 180:sc= -0.916 USER MOD Set 3.1: A 118 CYS SG : rot -140:sc= -1.3 USER MOD Set 3.2: A 150 GLN : amide:sc= -0.461 K(o=-1.8,f=0.8) USER MOD Set 4.1: A 95 HIS : no HE2:sc= 1.08 K(o=0.91,f=-4.2!) USER MOD Set 4.2: A 99 GLN : amide:sc= -0.162 K(o=0.91,f=1.6) USER MOD Set 5.1: A 32 TYR OH : rot 180:sc= 0 USER MOD Set 5.2: A 40 TYR OH : rot 180:sc= 0 USER MOD Set 6.1: A 16 LYS NZ :NH3+ -144:sc= 1.68 (180deg=0.0459) USER MOD Set 6.2: A 58 THR OG1 : rot -88:sc= 2.27 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ -118:sc= 0.694 (180deg=-1.81) USER MOD Single : A 17 SER OG : rot -78:sc= 0.663 USER MOD Single : A 20 THR OG1 : rot 92:sc= 1.24 USER MOD Single : A 22 GLN : amide:sc= 1.21 K(o=1.2,f=-3.2!) USER MOD Single : A 25 GLN : amide:sc= -1.37 K(o=-1.4,f=0) USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 HIS : no HE2:sc= -1.03 K(o=-1,f=-2.5!) USER MOD Single : A 35 THR OG1 : rot 84:sc= 1.34 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 173:sc= 0.211 (180deg=0.095) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0.00509 USER MOD Single : A 51 CYS SG : rot 49:sc= 1.67 USER MOD Single : A 61 GLN : amide:sc= -0.108 K(o=-0.11,f=-0.96) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0.0798 USER MOD Single : A 67 MET CE :methyl 162:sc= -0.0886 (180deg=-0.559) USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl 165:sc= 0 (180deg=-0.208) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.474 USER MOD Single : A 80 CYS SG : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= -0.109 K(o=-0.11,f=-3.7!) USER MOD Single : A 86 ASN : amide:sc= -0.873 K(o=-0.87,f=-7.2!) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0.153 USER MOD Single : A 88 LYS NZ :NH3+ -161:sc= -0.0201 (180deg=-0.219) USER MOD Single : A 89 SER OG : rot -52:sc= 2.08 USER MOD Single : A 94 HIS : no HD1:sc= 0 X(o=0,f=-0.0048) USER MOD Single : A 96 TYR OH : rot -131:sc= 0.0332 USER MOD Single : A 101 LYS NZ :NH3+ -119:sc= 1.3 (180deg=0.192) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0.859 (180deg=0.859) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 111 MET CE :methyl 169:sc= -0.257 (180deg=-0.337) USER MOD Single : A 116 ASN : amide:sc= -0.531 K(o=-0.53,f=-6.8!) USER MOD Single : A 117 LYS NZ :NH3+ -163:sc= 1.13 (180deg=0.928) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 124 THR OG1 : rot 180:sc= 0 USER MOD Single : A 127 THR OG1 : rot 180:sc= 0.17 USER MOD Single : A 128 LYS NZ :NH3+ -119:sc= 1.26 (180deg=-0.404) USER MOD Single : A 129 GLN : amide:sc= 0.0057 K(o=0.0057,f=-1.5!) USER MOD Single : A 131 GLN : amide:sc= -0.0413 X(o=-0.041,f=-0.43) USER MOD Single : A 136 SER OG : rot 50:sc= 0.681 USER MOD Single : A 137 TYR OH : rot 180:sc= 0 USER MOD Single : A 144 THR OG1 : rot 180:sc= -0.0125 USER MOD Single : A 147 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 157 TYR OH : rot 180:sc= 0 USER MOD Single : A 158 THR OG1 : rot 88:sc= 1.25 USER MOD Single : A 165 LYS NZ :NH3+ 157:sc= 1.18 (180deg=0.458) USER MOD Single : A 166 HIS : no HE2:sc= 0.782 K(o=0.78,f=-5.6!) USER MOD Single : A 169 LYS NZ :NH3+ 155:sc= -0.113 (180deg=-0.64) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 20.051 9.072 8.225 1.00 0.55 N ATOM 2 CA MET A 1 18.724 9.064 7.572 1.00 0.44 C ATOM 3 C MET A 1 18.686 8.023 6.463 1.00 0.43 C ATOM 4 O MET A 1 19.281 8.216 5.405 1.00 0.60 O ATOM 5 CB MET A 1 18.405 10.442 6.989 1.00 0.50 C ATOM 6 CG MET A 1 17.004 10.537 6.401 1.00 0.53 C ATOM 7 SD MET A 1 16.849 11.825 5.144 1.00 1.04 S ATOM 8 CE MET A 1 16.954 13.305 6.146 1.00 1.48 C ATOM 0 H1 MET A 1 20.062 9.787 8.980 1.00 0.55 H new ATOM 0 H2 MET A 1 20.243 8.135 8.633 1.00 0.55 H new ATOM 0 H3 MET A 1 20.783 9.299 7.522 1.00 0.55 H new ATOM 0 HA MET A 1 17.976 8.814 8.325 1.00 0.44 H new ATOM 0 HB2 MET A 1 18.515 11.194 7.770 1.00 0.50 H new ATOM 0 HB3 MET A 1 19.134 10.679 6.214 1.00 0.50 H new ATOM 0 HG2 MET A 1 16.734 9.576 5.963 1.00 0.53 H new ATOM 0 HG3 MET A 1 16.292 10.733 7.203 1.00 0.53 H new ATOM 0 HE1 MET A 1 16.873 14.184 5.506 1.00 1.48 H new ATOM 0 HE2 MET A 1 16.142 13.310 6.874 1.00 1.48 H new ATOM 0 HE3 MET A 1 17.910 13.323 6.669 1.00 1.48 H new ATOM 20 N THR A 2 17.986 6.927 6.706 1.00 0.36 N ATOM 21 CA THR A 2 17.874 5.864 5.723 1.00 0.41 C ATOM 22 C THR A 2 16.625 6.055 4.861 1.00 0.33 C ATOM 23 O THR A 2 15.545 6.373 5.375 1.00 0.35 O ATOM 24 CB THR A 2 17.839 4.482 6.409 1.00 0.57 C ATOM 25 OG1 THR A 2 19.000 4.326 7.233 1.00 1.04 O ATOM 26 CG2 THR A 2 17.788 3.355 5.384 1.00 0.91 C ATOM 0 H THR A 2 17.486 6.751 7.578 1.00 0.36 H new ATOM 0 HA THR A 2 18.753 5.909 5.080 1.00 0.41 H new ATOM 0 HB THR A 2 16.938 4.429 7.019 1.00 0.57 H new ATOM 0 HG1 THR A 2 18.976 3.449 7.669 1.00 1.04 H new ATOM 0 HG21 THR A 2 17.764 2.395 5.900 1.00 0.91 H new ATOM 0 HG22 THR A 2 16.892 3.460 4.772 1.00 0.91 H new ATOM 0 HG23 THR A 2 18.671 3.403 4.747 1.00 0.91 H new ATOM 34 N GLU A 3 16.782 5.891 3.555 1.00 0.31 N ATOM 35 CA GLU A 3 15.670 6.029 2.627 1.00 0.26 C ATOM 36 C GLU A 3 14.951 4.696 2.482 1.00 0.24 C ATOM 37 O GLU A 3 15.576 3.675 2.189 1.00 0.37 O ATOM 38 CB GLU A 3 16.159 6.491 1.253 1.00 0.37 C ATOM 39 CG GLU A 3 15.042 6.654 0.225 1.00 0.42 C ATOM 40 CD GLU A 3 15.523 6.453 -1.197 1.00 0.62 C ATOM 41 OE1 GLU A 3 15.932 7.445 -1.839 1.00 1.15 O ATOM 42 OE2 GLU A 3 15.502 5.299 -1.680 1.00 1.27 O ATOM 0 H GLU A 3 17.672 5.661 3.114 1.00 0.31 H new ATOM 0 HA GLU A 3 14.985 6.778 3.025 1.00 0.26 H new ATOM 0 HB2 GLU A 3 16.680 7.442 1.364 1.00 0.37 H new ATOM 0 HB3 GLU A 3 16.886 5.772 0.875 1.00 0.37 H new ATOM 0 HG2 GLU A 3 14.248 5.939 0.440 1.00 0.42 H new ATOM 0 HG3 GLU A 3 14.608 7.649 0.320 1.00 0.42 H new ATOM 49 N TYR A 4 13.648 4.708 2.682 1.00 0.19 N ATOM 50 CA TYR A 4 12.851 3.498 2.573 1.00 0.25 C ATOM 51 C TYR A 4 11.926 3.597 1.376 1.00 0.21 C ATOM 52 O TYR A 4 11.186 4.569 1.234 1.00 0.21 O ATOM 53 CB TYR A 4 12.046 3.268 3.852 1.00 0.37 C ATOM 54 CG TYR A 4 12.838 2.556 4.921 1.00 0.53 C ATOM 55 CD1 TYR A 4 12.714 1.184 5.105 1.00 0.91 C ATOM 56 CD2 TYR A 4 13.732 3.249 5.728 1.00 0.78 C ATOM 57 CE1 TYR A 4 13.457 0.524 6.061 1.00 1.06 C ATOM 58 CE2 TYR A 4 14.475 2.593 6.690 1.00 0.93 C ATOM 59 CZ TYR A 4 14.334 1.229 6.849 1.00 0.91 C ATOM 60 OH TYR A 4 15.084 0.566 7.790 1.00 1.11 O ATOM 0 H TYR A 4 13.115 5.544 2.922 1.00 0.19 H new ATOM 0 HA TYR A 4 13.520 2.648 2.434 1.00 0.25 H new ATOM 0 HB2 TYR A 4 11.704 4.228 4.238 1.00 0.37 H new ATOM 0 HB3 TYR A 4 11.156 2.684 3.616 1.00 0.37 H new ATOM 0 HD1 TYR A 4 12.024 0.626 4.489 1.00 0.91 H new ATOM 0 HD2 TYR A 4 13.848 4.315 5.601 1.00 0.78 H new ATOM 0 HE1 TYR A 4 13.350 -0.543 6.190 1.00 1.06 H new ATOM 0 HE2 TYR A 4 15.163 3.144 7.314 1.00 0.93 H new ATOM 0 HH TYR A 4 15.655 1.206 8.263 1.00 1.11 H new ATOM 70 N LYS A 5 11.964 2.586 0.526 1.00 0.24 N ATOM 71 CA LYS A 5 11.145 2.577 -0.676 1.00 0.26 C ATOM 72 C LYS A 5 9.864 1.783 -0.467 1.00 0.24 C ATOM 73 O LYS A 5 9.898 0.601 -0.115 1.00 0.29 O ATOM 74 CB LYS A 5 11.948 2.017 -1.854 1.00 0.40 C ATOM 75 CG LYS A 5 13.283 2.720 -2.057 1.00 0.81 C ATOM 76 CD LYS A 5 13.951 2.314 -3.359 1.00 0.65 C ATOM 77 CE LYS A 5 13.574 3.250 -4.495 1.00 0.62 C ATOM 78 NZ LYS A 5 13.947 4.669 -4.215 1.00 0.71 N ATOM 0 H LYS A 5 12.552 1.761 0.644 1.00 0.24 H new ATOM 0 HA LYS A 5 10.859 3.604 -0.903 1.00 0.26 H new ATOM 0 HB2 LYS A 5 12.125 0.954 -1.692 1.00 0.40 H new ATOM 0 HB3 LYS A 5 11.355 2.106 -2.765 1.00 0.40 H new ATOM 0 HG2 LYS A 5 13.129 3.799 -2.051 1.00 0.81 H new ATOM 0 HG3 LYS A 5 13.945 2.488 -1.223 1.00 0.81 H new ATOM 0 HD2 LYS A 5 15.033 2.315 -3.229 1.00 0.65 H new ATOM 0 HD3 LYS A 5 13.662 1.295 -3.615 1.00 0.65 H new ATOM 0 HE2 LYS A 5 14.067 2.922 -5.410 1.00 0.62 H new ATOM 0 HE3 LYS A 5 12.500 3.188 -4.671 1.00 0.62 H new ATOM 0 HZ1 LYS A 5 13.089 5.256 -4.193 1.00 0.71 H new ATOM 0 HZ2 LYS A 5 14.429 4.726 -3.295 1.00 0.71 H new ATOM 0 HZ3 LYS A 5 14.583 5.014 -4.961 1.00 0.71 H new ATOM 92 N LEU A 6 8.734 2.439 -0.685 1.00 0.26 N ATOM 93 CA LEU A 6 7.437 1.810 -0.513 1.00 0.33 C ATOM 94 C LEU A 6 6.565 2.033 -1.738 1.00 0.27 C ATOM 95 O LEU A 6 6.530 3.132 -2.293 1.00 0.29 O ATOM 96 CB LEU A 6 6.735 2.369 0.721 1.00 0.45 C ATOM 97 CG LEU A 6 7.484 2.168 2.039 1.00 0.70 C ATOM 98 CD1 LEU A 6 7.959 3.501 2.593 1.00 1.39 C ATOM 99 CD2 LEU A 6 6.598 1.459 3.048 1.00 1.08 C ATOM 0 H LEU A 6 8.692 3.413 -0.983 1.00 0.26 H new ATOM 0 HA LEU A 6 7.596 0.740 -0.382 1.00 0.33 H new ATOM 0 HB2 LEU A 6 6.570 3.436 0.574 1.00 0.45 H new ATOM 0 HB3 LEU A 6 5.753 1.903 0.804 1.00 0.45 H new ATOM 0 HG LEU A 6 8.358 1.546 1.847 1.00 0.70 H new ATOM 0 HD11 LEU A 6 8.490 3.337 3.531 1.00 1.39 H new ATOM 0 HD12 LEU A 6 8.629 3.975 1.876 1.00 1.39 H new ATOM 0 HD13 LEU A 6 7.100 4.148 2.771 1.00 1.39 H new ATOM 0 HD21 LEU A 6 7.145 1.323 3.981 1.00 1.08 H new ATOM 0 HD22 LEU A 6 5.707 2.058 3.234 1.00 1.08 H new ATOM 0 HD23 LEU A 6 6.305 0.486 2.654 1.00 1.08 H new ATOM 111 N VAL A 7 5.862 0.990 -2.155 1.00 0.26 N ATOM 112 CA VAL A 7 4.995 1.073 -3.314 1.00 0.26 C ATOM 113 C VAL A 7 3.582 0.663 -2.944 1.00 0.30 C ATOM 114 O VAL A 7 3.370 -0.391 -2.340 1.00 0.39 O ATOM 115 CB VAL A 7 5.500 0.177 -4.460 1.00 0.32 C ATOM 116 CG1 VAL A 7 4.569 0.248 -5.657 1.00 0.81 C ATOM 117 CG2 VAL A 7 6.912 0.560 -4.865 1.00 0.74 C ATOM 0 H VAL A 7 5.877 0.075 -1.704 1.00 0.26 H new ATOM 0 HA VAL A 7 5.001 2.108 -3.655 1.00 0.26 H new ATOM 0 HB VAL A 7 5.513 -0.851 -4.097 1.00 0.32 H new ATOM 0 HG11 VAL A 7 4.949 -0.394 -6.452 1.00 0.81 H new ATOM 0 HG12 VAL A 7 3.574 -0.087 -5.364 1.00 0.81 H new ATOM 0 HG13 VAL A 7 4.515 1.276 -6.015 1.00 0.81 H new ATOM 0 HG21 VAL A 7 7.246 -0.087 -5.676 1.00 0.74 H new ATOM 0 HG22 VAL A 7 6.926 1.597 -5.199 1.00 0.74 H new ATOM 0 HG23 VAL A 7 7.579 0.445 -4.011 1.00 0.74 H new ATOM 127 N VAL A 8 2.622 1.510 -3.278 1.00 0.28 N ATOM 128 CA VAL A 8 1.225 1.222 -3.003 1.00 0.33 C ATOM 129 C VAL A 8 0.631 0.466 -4.177 1.00 0.37 C ATOM 130 O VAL A 8 0.691 0.928 -5.316 1.00 0.41 O ATOM 131 CB VAL A 8 0.412 2.510 -2.769 1.00 0.37 C ATOM 132 CG1 VAL A 8 -1.014 2.187 -2.351 1.00 0.44 C ATOM 133 CG2 VAL A 8 1.079 3.390 -1.732 1.00 0.37 C ATOM 0 H VAL A 8 2.786 2.404 -3.741 1.00 0.28 H new ATOM 0 HA VAL A 8 1.177 0.622 -2.094 1.00 0.33 H new ATOM 0 HB VAL A 8 0.377 3.056 -3.712 1.00 0.37 H new ATOM 0 HG11 VAL A 8 -1.565 3.114 -2.192 1.00 0.44 H new ATOM 0 HG12 VAL A 8 -1.500 1.605 -3.134 1.00 0.44 H new ATOM 0 HG13 VAL A 8 -1.000 1.610 -1.426 1.00 0.44 H new ATOM 0 HG21 VAL A 8 0.486 4.293 -1.585 1.00 0.37 H new ATOM 0 HG22 VAL A 8 1.155 2.848 -0.789 1.00 0.37 H new ATOM 0 HG23 VAL A 8 2.077 3.664 -2.075 1.00 0.37 H new ATOM 143 N VAL A 9 0.072 -0.699 -3.908 1.00 0.40 N ATOM 144 CA VAL A 9 -0.512 -1.520 -4.954 1.00 0.46 C ATOM 145 C VAL A 9 -2.013 -1.667 -4.744 1.00 0.52 C ATOM 146 O VAL A 9 -2.492 -1.647 -3.608 1.00 0.70 O ATOM 147 CB VAL A 9 0.136 -2.918 -5.013 1.00 0.49 C ATOM 148 CG1 VAL A 9 1.541 -2.833 -5.593 1.00 0.51 C ATOM 149 CG2 VAL A 9 0.160 -3.569 -3.633 1.00 0.59 C ATOM 0 H VAL A 9 0.010 -1.099 -2.972 1.00 0.40 H new ATOM 0 HA VAL A 9 -0.323 -1.014 -5.901 1.00 0.46 H new ATOM 0 HB VAL A 9 -0.469 -3.544 -5.669 1.00 0.49 H new ATOM 0 HG11 VAL A 9 1.982 -3.829 -5.626 1.00 0.51 H new ATOM 0 HG12 VAL A 9 1.494 -2.423 -6.602 1.00 0.51 H new ATOM 0 HG13 VAL A 9 2.155 -2.186 -4.967 1.00 0.51 H new ATOM 0 HG21 VAL A 9 0.622 -4.554 -3.703 1.00 0.59 H new ATOM 0 HG22 VAL A 9 0.735 -2.947 -2.947 1.00 0.59 H new ATOM 0 HG23 VAL A 9 -0.860 -3.672 -3.262 1.00 0.59 H new ATOM 159 N GLY A 10 -2.746 -1.800 -5.836 1.00 0.44 N ATOM 160 CA GLY A 10 -4.188 -1.945 -5.755 1.00 0.51 C ATOM 161 C GLY A 10 -4.856 -1.752 -7.099 1.00 0.51 C ATOM 162 O GLY A 10 -4.181 -1.476 -8.097 1.00 0.53 O ATOM 0 H GLY A 10 -2.369 -1.811 -6.784 1.00 0.44 H new ATOM 0 HA2 GLY A 10 -4.431 -2.935 -5.369 1.00 0.51 H new ATOM 0 HA3 GLY A 10 -4.586 -1.219 -5.046 1.00 0.51 H new ATOM 166 N ALA A 11 -6.176 -1.903 -7.126 1.00 0.52 N ATOM 167 CA ALA A 11 -6.942 -1.747 -8.356 1.00 0.53 C ATOM 168 C ALA A 11 -7.150 -0.273 -8.697 1.00 0.50 C ATOM 169 O ALA A 11 -6.885 0.612 -7.879 1.00 0.50 O ATOM 170 CB ALA A 11 -8.283 -2.462 -8.233 1.00 0.58 C ATOM 0 H ALA A 11 -6.738 -2.134 -6.307 1.00 0.52 H new ATOM 0 HA ALA A 11 -6.374 -2.198 -9.169 1.00 0.53 H new ATOM 0 HB1 ALA A 11 -8.847 -2.339 -9.158 1.00 0.58 H new ATOM 0 HB2 ALA A 11 -8.114 -3.523 -8.049 1.00 0.58 H new ATOM 0 HB3 ALA A 11 -8.848 -2.036 -7.404 1.00 0.58 H new ATOM 176 N GLY A 12 -7.627 -0.016 -9.905 1.00 0.55 N ATOM 177 CA GLY A 12 -7.857 1.347 -10.341 1.00 0.54 C ATOM 178 C GLY A 12 -9.115 1.942 -9.741 1.00 0.54 C ATOM 179 O GLY A 12 -10.230 1.602 -10.146 1.00 0.80 O ATOM 0 H GLY A 12 -7.860 -0.730 -10.595 1.00 0.55 H new ATOM 0 HA2 GLY A 12 -7.001 1.963 -10.066 1.00 0.54 H new ATOM 0 HA3 GLY A 12 -7.930 1.370 -11.428 1.00 0.54 H new ATOM 183 N GLY A 13 -8.939 2.817 -8.764 1.00 0.34 N ATOM 184 CA GLY A 13 -10.078 3.454 -8.133 1.00 0.40 C ATOM 185 C GLY A 13 -10.139 3.201 -6.642 1.00 0.40 C ATOM 186 O GLY A 13 -11.088 3.618 -5.979 1.00 0.42 O ATOM 0 H GLY A 13 -8.030 3.098 -8.396 1.00 0.34 H new ATOM 0 HA2 GLY A 13 -10.034 4.528 -8.313 1.00 0.40 H new ATOM 0 HA3 GLY A 13 -10.995 3.090 -8.597 1.00 0.40 H new ATOM 190 N VAL A 14 -9.129 2.521 -6.105 1.00 0.39 N ATOM 191 CA VAL A 14 -9.092 2.225 -4.673 1.00 0.41 C ATOM 192 C VAL A 14 -8.744 3.467 -3.861 1.00 0.44 C ATOM 193 O VAL A 14 -9.160 3.608 -2.714 1.00 0.57 O ATOM 194 CB VAL A 14 -8.095 1.099 -4.330 1.00 0.42 C ATOM 195 CG1 VAL A 14 -8.605 -0.231 -4.852 1.00 0.41 C ATOM 196 CG2 VAL A 14 -6.709 1.406 -4.880 1.00 0.43 C ATOM 0 H VAL A 14 -8.331 2.167 -6.633 1.00 0.39 H new ATOM 0 HA VAL A 14 -10.094 1.886 -4.409 1.00 0.41 H new ATOM 0 HB VAL A 14 -8.011 1.035 -3.245 1.00 0.42 H new ATOM 0 HG11 VAL A 14 -7.892 -1.017 -4.603 1.00 0.41 H new ATOM 0 HG12 VAL A 14 -9.568 -0.456 -4.394 1.00 0.41 H new ATOM 0 HG13 VAL A 14 -8.722 -0.176 -5.934 1.00 0.41 H new ATOM 0 HG21 VAL A 14 -6.028 0.595 -4.623 1.00 0.43 H new ATOM 0 HG22 VAL A 14 -6.762 1.506 -5.964 1.00 0.43 H new ATOM 0 HG23 VAL A 14 -6.344 2.337 -4.447 1.00 0.43 H new ATOM 206 N GLY A 15 -7.983 4.364 -4.463 1.00 0.39 N ATOM 207 CA GLY A 15 -7.608 5.587 -3.787 1.00 0.42 C ATOM 208 C GLY A 15 -6.122 5.705 -3.517 1.00 0.43 C ATOM 209 O GLY A 15 -5.718 6.468 -2.644 1.00 0.49 O ATOM 0 H GLY A 15 -7.617 4.268 -5.410 1.00 0.39 H new ATOM 0 HA2 GLY A 15 -7.927 6.437 -4.390 1.00 0.42 H new ATOM 0 HA3 GLY A 15 -8.146 5.648 -2.841 1.00 0.42 H new ATOM 213 N LYS A 16 -5.308 4.973 -4.280 1.00 0.41 N ATOM 214 CA LYS A 16 -3.854 5.004 -4.107 1.00 0.45 C ATOM 215 C LYS A 16 -3.331 6.437 -4.144 1.00 0.47 C ATOM 216 O LYS A 16 -2.607 6.861 -3.250 1.00 0.58 O ATOM 217 CB LYS A 16 -3.151 4.160 -5.182 1.00 0.46 C ATOM 218 CG LYS A 16 -3.424 2.667 -5.073 1.00 0.65 C ATOM 219 CD LYS A 16 -2.599 1.864 -6.066 1.00 0.79 C ATOM 220 CE LYS A 16 -3.227 1.881 -7.452 1.00 0.78 C ATOM 221 NZ LYS A 16 -2.481 1.026 -8.413 1.00 0.81 N ATOM 0 H LYS A 16 -5.630 4.352 -5.023 1.00 0.41 H new ATOM 0 HA LYS A 16 -3.630 4.576 -3.130 1.00 0.45 H new ATOM 0 HB2 LYS A 16 -3.468 4.506 -6.166 1.00 0.46 H new ATOM 0 HB3 LYS A 16 -2.076 4.328 -5.116 1.00 0.46 H new ATOM 0 HG2 LYS A 16 -3.201 2.331 -4.060 1.00 0.65 H new ATOM 0 HG3 LYS A 16 -4.484 2.478 -5.246 1.00 0.65 H new ATOM 0 HD2 LYS A 16 -1.590 2.273 -6.117 1.00 0.79 H new ATOM 0 HD3 LYS A 16 -2.509 0.835 -5.718 1.00 0.79 H new ATOM 0 HE2 LYS A 16 -4.259 1.537 -7.386 1.00 0.78 H new ATOM 0 HE3 LYS A 16 -3.255 2.905 -7.824 1.00 0.78 H new ATOM 0 HZ1 LYS A 16 -2.491 1.470 -9.353 1.00 0.81 H new ATOM 0 HZ2 LYS A 16 -1.498 0.918 -8.091 1.00 0.81 H new ATOM 0 HZ3 LYS A 16 -2.932 0.090 -8.468 1.00 0.81 H new ATOM 235 N SER A 17 -3.726 7.187 -5.163 1.00 0.40 N ATOM 236 CA SER A 17 -3.282 8.567 -5.312 1.00 0.41 C ATOM 237 C SER A 17 -3.780 9.445 -4.159 1.00 0.40 C ATOM 238 O SER A 17 -3.028 10.241 -3.608 1.00 0.58 O ATOM 239 CB SER A 17 -3.778 9.117 -6.652 1.00 0.43 C ATOM 240 OG SER A 17 -3.627 8.162 -7.708 1.00 0.44 O ATOM 0 H SER A 17 -4.353 6.864 -5.899 1.00 0.40 H new ATOM 0 HA SER A 17 -2.192 8.584 -5.289 1.00 0.41 H new ATOM 0 HB2 SER A 17 -4.827 9.398 -6.563 1.00 0.43 H new ATOM 0 HB3 SER A 17 -3.225 10.023 -6.900 1.00 0.43 H new ATOM 0 HG SER A 17 -2.691 8.138 -7.996 1.00 0.44 H new ATOM 246 N ALA A 18 -5.042 9.273 -3.786 1.00 0.41 N ATOM 247 CA ALA A 18 -5.639 10.062 -2.713 1.00 0.40 C ATOM 248 C ALA A 18 -4.945 9.821 -1.378 1.00 0.41 C ATOM 249 O ALA A 18 -4.594 10.767 -0.673 1.00 0.43 O ATOM 250 CB ALA A 18 -7.124 9.757 -2.590 1.00 0.43 C ATOM 0 H ALA A 18 -5.673 8.594 -4.211 1.00 0.41 H new ATOM 0 HA ALA A 18 -5.508 11.113 -2.972 1.00 0.40 H new ATOM 0 HB1 ALA A 18 -7.553 10.354 -1.785 1.00 0.43 H new ATOM 0 HB2 ALA A 18 -7.624 9.999 -3.528 1.00 0.43 H new ATOM 0 HB3 ALA A 18 -7.261 8.698 -2.369 1.00 0.43 H new ATOM 256 N LEU A 19 -4.748 8.557 -1.032 1.00 0.44 N ATOM 257 CA LEU A 19 -4.099 8.203 0.221 1.00 0.50 C ATOM 258 C LEU A 19 -2.646 8.662 0.239 1.00 0.48 C ATOM 259 O LEU A 19 -2.138 9.097 1.269 1.00 0.51 O ATOM 260 CB LEU A 19 -4.186 6.696 0.460 1.00 0.60 C ATOM 261 CG LEU A 19 -5.415 6.249 1.252 1.00 0.76 C ATOM 262 CD1 LEU A 19 -5.852 4.853 0.851 1.00 0.92 C ATOM 263 CD2 LEU A 19 -5.134 6.306 2.745 1.00 0.79 C ATOM 0 H LEU A 19 -5.029 7.759 -1.602 1.00 0.44 H new ATOM 0 HA LEU A 19 -4.623 8.717 1.027 1.00 0.50 H new ATOM 0 HB2 LEU A 19 -4.186 6.188 -0.504 1.00 0.60 H new ATOM 0 HB3 LEU A 19 -3.290 6.373 0.991 1.00 0.60 H new ATOM 0 HG LEU A 19 -6.229 6.935 1.020 1.00 0.76 H new ATOM 0 HD11 LEU A 19 -6.728 4.565 1.432 1.00 0.92 H new ATOM 0 HD12 LEU A 19 -6.101 4.840 -0.210 1.00 0.92 H new ATOM 0 HD13 LEU A 19 -5.042 4.149 1.042 1.00 0.92 H new ATOM 0 HD21 LEU A 19 -6.019 5.985 3.294 1.00 0.79 H new ATOM 0 HD22 LEU A 19 -4.300 5.647 2.984 1.00 0.79 H new ATOM 0 HD23 LEU A 19 -4.882 7.328 3.029 1.00 0.79 H new ATOM 275 N THR A 20 -1.984 8.590 -0.906 1.00 0.49 N ATOM 276 CA THR A 20 -0.593 9.002 -0.996 1.00 0.54 C ATOM 277 C THR A 20 -0.461 10.515 -0.863 1.00 0.49 C ATOM 278 O THR A 20 0.431 11.011 -0.166 1.00 0.50 O ATOM 279 CB THR A 20 0.064 8.523 -2.309 1.00 0.64 C ATOM 280 OG1 THR A 20 -0.137 7.112 -2.459 1.00 0.89 O ATOM 281 CG2 THR A 20 1.554 8.814 -2.315 1.00 0.74 C ATOM 0 H THR A 20 -2.385 8.252 -1.781 1.00 0.49 H new ATOM 0 HA THR A 20 -0.066 8.530 -0.166 1.00 0.54 H new ATOM 0 HB THR A 20 -0.400 9.061 -3.136 1.00 0.64 H new ATOM 0 HG1 THR A 20 -0.955 6.951 -2.975 1.00 0.89 H new ATOM 0 HG21 THR A 20 1.989 8.466 -3.252 1.00 0.74 H new ATOM 0 HG22 THR A 20 1.715 9.888 -2.217 1.00 0.74 H new ATOM 0 HG23 THR A 20 2.029 8.298 -1.480 1.00 0.74 H new ATOM 289 N ILE A 21 -1.360 11.246 -1.513 1.00 0.48 N ATOM 290 CA ILE A 21 -1.344 12.701 -1.449 1.00 0.50 C ATOM 291 C ILE A 21 -1.730 13.166 -0.043 1.00 0.43 C ATOM 292 O ILE A 21 -1.244 14.190 0.442 1.00 0.43 O ATOM 293 CB ILE A 21 -2.297 13.331 -2.492 1.00 0.59 C ATOM 294 CG1 ILE A 21 -1.819 13.000 -3.906 1.00 0.63 C ATOM 295 CG2 ILE A 21 -2.391 14.842 -2.304 1.00 0.79 C ATOM 296 CD1 ILE A 21 -2.748 13.498 -4.994 1.00 0.76 C ATOM 0 H ILE A 21 -2.106 10.856 -2.088 1.00 0.48 H new ATOM 0 HA ILE A 21 -0.332 13.032 -1.680 1.00 0.50 H new ATOM 0 HB ILE A 21 -3.292 12.910 -2.346 1.00 0.59 H new ATOM 0 HG12 ILE A 21 -0.831 13.434 -4.057 1.00 0.63 H new ATOM 0 HG13 ILE A 21 -1.710 11.920 -4.000 1.00 0.63 H new ATOM 0 HG21 ILE A 21 -3.067 15.260 -3.050 1.00 0.79 H new ATOM 0 HG22 ILE A 21 -2.771 15.062 -1.306 1.00 0.79 H new ATOM 0 HG23 ILE A 21 -1.402 15.285 -2.422 1.00 0.79 H new ATOM 0 HD11 ILE A 21 -2.344 13.227 -5.969 1.00 0.76 H new ATOM 0 HD12 ILE A 21 -3.731 13.044 -4.869 1.00 0.76 H new ATOM 0 HD13 ILE A 21 -2.838 14.582 -4.927 1.00 0.76 H new ATOM 308 N GLN A 22 -2.589 12.390 0.612 1.00 0.41 N ATOM 309 CA GLN A 22 -3.043 12.689 1.966 1.00 0.37 C ATOM 310 C GLN A 22 -1.887 12.649 2.970 1.00 0.37 C ATOM 311 O GLN A 22 -1.966 13.234 4.049 1.00 0.46 O ATOM 312 CB GLN A 22 -4.126 11.693 2.387 1.00 0.40 C ATOM 313 CG GLN A 22 -5.540 12.203 2.181 1.00 0.43 C ATOM 314 CD GLN A 22 -5.993 13.124 3.301 1.00 0.36 C ATOM 315 OE1 GLN A 22 -5.193 13.842 3.899 1.00 0.35 O ATOM 316 NE2 GLN A 22 -7.282 13.099 3.597 1.00 0.41 N ATOM 0 H GLN A 22 -2.989 11.538 0.220 1.00 0.41 H new ATOM 0 HA GLN A 22 -3.453 13.699 1.963 1.00 0.37 H new ATOM 0 HB2 GLN A 22 -3.997 10.770 1.822 1.00 0.40 H new ATOM 0 HB3 GLN A 22 -3.989 11.445 3.439 1.00 0.40 H new ATOM 0 HG2 GLN A 22 -5.596 12.735 1.231 1.00 0.43 H new ATOM 0 HG3 GLN A 22 -6.222 11.356 2.113 1.00 0.43 H new ATOM 0 HE21 GLN A 22 -7.913 12.489 3.077 1.00 0.41 H new ATOM 0 HE22 GLN A 22 -7.645 13.690 4.345 1.00 0.41 H new ATOM 325 N LEU A 23 -0.814 11.957 2.611 1.00 0.41 N ATOM 326 CA LEU A 23 0.347 11.844 3.486 1.00 0.44 C ATOM 327 C LEU A 23 1.364 12.943 3.185 1.00 0.40 C ATOM 328 O LEU A 23 2.270 13.206 3.976 1.00 0.49 O ATOM 329 CB LEU A 23 0.994 10.466 3.323 1.00 0.54 C ATOM 330 CG LEU A 23 1.991 10.076 4.419 1.00 1.06 C ATOM 331 CD1 LEU A 23 1.292 9.964 5.766 1.00 1.37 C ATOM 332 CD2 LEU A 23 2.692 8.769 4.066 1.00 1.25 C ATOM 0 H LEU A 23 -0.723 11.466 1.722 1.00 0.41 H new ATOM 0 HA LEU A 23 0.014 11.962 4.517 1.00 0.44 H new ATOM 0 HB2 LEU A 23 0.205 9.715 3.288 1.00 0.54 H new ATOM 0 HB3 LEU A 23 1.506 10.435 2.361 1.00 0.54 H new ATOM 0 HG LEU A 23 2.745 10.860 4.491 1.00 1.06 H new ATOM 0 HD11 LEU A 23 2.018 9.686 6.530 1.00 1.37 H new ATOM 0 HD12 LEU A 23 0.843 10.923 6.024 1.00 1.37 H new ATOM 0 HD13 LEU A 23 0.514 9.202 5.710 1.00 1.37 H new ATOM 0 HD21 LEU A 23 3.396 8.509 4.856 1.00 1.25 H new ATOM 0 HD22 LEU A 23 1.952 7.975 3.963 1.00 1.25 H new ATOM 0 HD23 LEU A 23 3.230 8.887 3.125 1.00 1.25 H new ATOM 344 N ILE A 24 1.201 13.590 2.039 1.00 0.37 N ATOM 345 CA ILE A 24 2.112 14.649 1.626 1.00 0.39 C ATOM 346 C ILE A 24 1.478 16.023 1.813 1.00 0.46 C ATOM 347 O ILE A 24 1.934 16.822 2.628 1.00 0.58 O ATOM 348 CB ILE A 24 2.533 14.488 0.147 1.00 0.40 C ATOM 349 CG1 ILE A 24 3.246 13.151 -0.073 1.00 0.39 C ATOM 350 CG2 ILE A 24 3.423 15.644 -0.293 1.00 0.47 C ATOM 351 CD1 ILE A 24 4.460 12.950 0.815 1.00 0.37 C ATOM 0 H ILE A 24 0.447 13.400 1.379 1.00 0.37 H new ATOM 0 HA ILE A 24 2.996 14.568 2.259 1.00 0.39 H new ATOM 0 HB ILE A 24 1.629 14.500 -0.462 1.00 0.40 H new ATOM 0 HG12 ILE A 24 2.540 12.340 0.104 1.00 0.39 H new ATOM 0 HG13 ILE A 24 3.555 13.082 -1.116 1.00 0.39 H new ATOM 0 HG21 ILE A 24 3.706 15.508 -1.337 1.00 0.47 H new ATOM 0 HG22 ILE A 24 2.881 16.583 -0.183 1.00 0.47 H new ATOM 0 HG23 ILE A 24 4.320 15.669 0.326 1.00 0.47 H new ATOM 0 HD11 ILE A 24 4.911 11.981 0.601 1.00 0.37 H new ATOM 0 HD12 ILE A 24 5.187 13.739 0.622 1.00 0.37 H new ATOM 0 HD13 ILE A 24 4.156 12.985 1.861 1.00 0.37 H new ATOM 363 N GLN A 25 0.414 16.287 1.061 1.00 0.46 N ATOM 364 CA GLN A 25 -0.272 17.567 1.129 1.00 0.55 C ATOM 365 C GLN A 25 -1.288 17.578 2.267 1.00 0.50 C ATOM 366 O GLN A 25 -1.897 18.603 2.559 1.00 0.58 O ATOM 367 CB GLN A 25 -0.944 17.880 -0.207 1.00 0.65 C ATOM 368 CG GLN A 25 0.050 18.127 -1.334 1.00 0.82 C ATOM 369 CD GLN A 25 -0.616 18.469 -2.658 1.00 1.04 C ATOM 370 OE1 GLN A 25 -0.070 19.215 -3.468 1.00 1.68 O ATOM 371 NE2 GLN A 25 -1.792 17.916 -2.896 1.00 1.38 N ATOM 0 H GLN A 25 0.009 15.627 0.396 1.00 0.46 H new ATOM 0 HA GLN A 25 0.465 18.344 1.333 1.00 0.55 H new ATOM 0 HB2 GLN A 25 -1.596 17.051 -0.481 1.00 0.65 H new ATOM 0 HB3 GLN A 25 -1.578 18.759 -0.091 1.00 0.65 H new ATOM 0 HG2 GLN A 25 0.717 18.941 -1.049 1.00 0.82 H new ATOM 0 HG3 GLN A 25 0.669 17.239 -1.465 1.00 0.82 H new ATOM 0 HE21 GLN A 25 -2.217 17.301 -2.201 1.00 1.38 H new ATOM 0 HE22 GLN A 25 -2.275 18.104 -3.774 1.00 1.38 H new ATOM 380 N ASN A 26 -1.482 16.411 2.873 1.00 0.44 N ATOM 381 CA ASN A 26 -2.381 16.241 4.017 1.00 0.49 C ATOM 382 C ASN A 26 -3.818 16.695 3.740 1.00 0.46 C ATOM 383 O ASN A 26 -4.519 17.126 4.654 1.00 0.58 O ATOM 384 CB ASN A 26 -1.825 16.986 5.236 1.00 0.61 C ATOM 385 CG ASN A 26 -1.743 16.109 6.472 1.00 1.02 C ATOM 386 OD1 ASN A 26 -2.717 15.955 7.209 1.00 1.40 O ATOM 387 ND2 ASN A 26 -0.571 15.542 6.714 1.00 1.60 N ATOM 0 H ASN A 26 -1.019 15.549 2.585 1.00 0.44 H new ATOM 0 HA ASN A 26 -2.427 15.170 4.216 1.00 0.49 H new ATOM 0 HB2 ASN A 26 -0.832 17.369 5.001 1.00 0.61 H new ATOM 0 HB3 ASN A 26 -2.457 17.848 5.449 1.00 0.61 H new ATOM 0 HD21 ASN A 26 -0.450 14.952 7.537 1.00 1.60 H new ATOM 0 HD22 ASN A 26 0.211 15.696 6.077 1.00 1.60 H new ATOM 394 N HIS A 27 -4.263 16.595 2.491 1.00 0.41 N ATOM 395 CA HIS A 27 -5.634 16.972 2.149 1.00 0.44 C ATOM 396 C HIS A 27 -6.202 16.017 1.108 1.00 0.43 C ATOM 397 O HIS A 27 -5.472 15.514 0.253 1.00 0.46 O ATOM 398 CB HIS A 27 -5.737 18.441 1.688 1.00 0.51 C ATOM 399 CG HIS A 27 -5.302 18.714 0.276 1.00 0.55 C ATOM 400 ND1 HIS A 27 -6.102 18.480 -0.826 1.00 0.61 N ATOM 401 CD2 HIS A 27 -4.153 19.242 -0.206 1.00 0.67 C ATOM 402 CE1 HIS A 27 -5.462 18.848 -1.920 1.00 0.69 C ATOM 403 NE2 HIS A 27 -4.277 19.310 -1.571 1.00 0.74 N ATOM 0 H HIS A 27 -3.704 16.261 1.706 1.00 0.41 H new ATOM 0 HA HIS A 27 -6.236 16.891 3.054 1.00 0.44 H new ATOM 0 HB2 HIS A 27 -6.772 18.765 1.799 1.00 0.51 H new ATOM 0 HB3 HIS A 27 -5.137 19.056 2.359 1.00 0.51 H new ATOM 0 HD1 HIS A 27 -7.042 18.084 -0.798 1.00 0.61 H new ATOM 0 HD2 HIS A 27 -3.297 19.552 0.376 1.00 0.67 H new ATOM 0 HE1 HIS A 27 -5.843 18.782 -2.928 1.00 0.69 H new ATOM 412 N PHE A 28 -7.502 15.765 1.194 1.00 0.44 N ATOM 413 CA PHE A 28 -8.175 14.857 0.279 1.00 0.45 C ATOM 414 C PHE A 28 -8.221 15.425 -1.137 1.00 0.45 C ATOM 415 O PHE A 28 -8.352 16.636 -1.332 1.00 0.52 O ATOM 416 CB PHE A 28 -9.592 14.576 0.781 1.00 0.52 C ATOM 417 CG PHE A 28 -10.283 13.451 0.065 1.00 0.47 C ATOM 418 CD1 PHE A 28 -9.772 12.168 0.121 1.00 0.48 C ATOM 419 CD2 PHE A 28 -11.448 13.676 -0.652 1.00 0.60 C ATOM 420 CE1 PHE A 28 -10.409 11.126 -0.528 1.00 0.49 C ATOM 421 CE2 PHE A 28 -12.087 12.640 -1.303 1.00 0.60 C ATOM 422 CZ PHE A 28 -11.568 11.363 -1.241 1.00 0.48 C ATOM 0 H PHE A 28 -8.114 16.182 1.895 1.00 0.44 H new ATOM 0 HA PHE A 28 -7.609 13.926 0.245 1.00 0.45 H new ATOM 0 HB2 PHE A 28 -9.550 14.344 1.845 1.00 0.52 H new ATOM 0 HB3 PHE A 28 -10.190 15.481 0.676 1.00 0.52 H new ATOM 0 HD1 PHE A 28 -8.866 11.977 0.677 1.00 0.48 H new ATOM 0 HD2 PHE A 28 -11.860 14.673 -0.702 1.00 0.60 H new ATOM 0 HE1 PHE A 28 -10.000 10.128 -0.477 1.00 0.49 H new ATOM 0 HE2 PHE A 28 -12.993 12.829 -1.860 1.00 0.60 H new ATOM 0 HZ PHE A 28 -12.067 10.551 -1.749 1.00 0.48 H new ATOM 432 N VAL A 29 -8.075 14.547 -2.122 1.00 0.46 N ATOM 433 CA VAL A 29 -8.116 14.940 -3.523 1.00 0.49 C ATOM 434 C VAL A 29 -9.066 14.017 -4.273 1.00 0.52 C ATOM 435 O VAL A 29 -8.700 12.896 -4.633 1.00 0.61 O ATOM 436 CB VAL A 29 -6.724 14.889 -4.187 1.00 0.53 C ATOM 437 CG1 VAL A 29 -6.775 15.439 -5.607 1.00 0.55 C ATOM 438 CG2 VAL A 29 -5.704 15.651 -3.360 1.00 0.64 C ATOM 0 H VAL A 29 -7.926 13.549 -1.973 1.00 0.46 H new ATOM 0 HA VAL A 29 -8.463 15.972 -3.568 1.00 0.49 H new ATOM 0 HB VAL A 29 -6.417 13.844 -4.237 1.00 0.53 H new ATOM 0 HG11 VAL A 29 -5.781 15.391 -6.052 1.00 0.55 H new ATOM 0 HG12 VAL A 29 -7.468 14.845 -6.203 1.00 0.55 H new ATOM 0 HG13 VAL A 29 -7.113 16.475 -5.584 1.00 0.55 H new ATOM 0 HG21 VAL A 29 -4.730 15.601 -3.847 1.00 0.64 H new ATOM 0 HG22 VAL A 29 -6.013 16.693 -3.271 1.00 0.64 H new ATOM 0 HG23 VAL A 29 -5.636 15.207 -2.367 1.00 0.64 H new ATOM 448 N ASP A 30 -10.284 14.486 -4.491 1.00 0.55 N ATOM 449 CA ASP A 30 -11.299 13.693 -5.177 1.00 0.63 C ATOM 450 C ASP A 30 -11.035 13.643 -6.681 1.00 0.60 C ATOM 451 O ASP A 30 -11.158 12.594 -7.311 1.00 0.72 O ATOM 452 CB ASP A 30 -12.689 14.273 -4.907 1.00 0.75 C ATOM 453 CG ASP A 30 -13.801 13.270 -5.153 1.00 0.93 C ATOM 454 OD1 ASP A 30 -14.245 13.132 -6.312 1.00 1.12 O ATOM 455 OD2 ASP A 30 -14.252 12.621 -4.183 1.00 0.99 O ATOM 0 H ASP A 30 -10.597 15.413 -4.203 1.00 0.55 H new ATOM 0 HA ASP A 30 -11.253 12.675 -4.790 1.00 0.63 H new ATOM 0 HB2 ASP A 30 -12.739 14.619 -3.875 1.00 0.75 H new ATOM 0 HB3 ASP A 30 -12.844 15.144 -5.543 1.00 0.75 H new ATOM 460 N GLU A 31 -10.649 14.778 -7.242 1.00 0.54 N ATOM 461 CA GLU A 31 -10.371 14.867 -8.667 1.00 0.59 C ATOM 462 C GLU A 31 -8.886 14.664 -8.959 1.00 0.53 C ATOM 463 O GLU A 31 -8.077 15.588 -8.833 1.00 0.53 O ATOM 464 CB GLU A 31 -10.833 16.219 -9.217 1.00 0.69 C ATOM 465 CG GLU A 31 -10.803 16.308 -10.736 1.00 0.83 C ATOM 466 CD GLU A 31 -11.750 15.330 -11.403 1.00 0.99 C ATOM 467 OE1 GLU A 31 -11.332 14.184 -11.679 1.00 1.18 O ATOM 468 OE2 GLU A 31 -12.920 15.700 -11.650 1.00 1.16 O ATOM 0 H GLU A 31 -10.521 15.652 -6.732 1.00 0.54 H new ATOM 0 HA GLU A 31 -10.925 14.070 -9.163 1.00 0.59 H new ATOM 0 HB2 GLU A 31 -11.848 16.413 -8.871 1.00 0.69 H new ATOM 0 HB3 GLU A 31 -10.200 17.004 -8.804 1.00 0.69 H new ATOM 0 HG2 GLU A 31 -11.062 17.322 -11.041 1.00 0.83 H new ATOM 0 HG3 GLU A 31 -9.788 16.119 -11.086 1.00 0.83 H new ATOM 475 N TYR A 32 -8.532 13.444 -9.328 1.00 0.50 N ATOM 476 CA TYR A 32 -7.158 13.113 -9.668 1.00 0.46 C ATOM 477 C TYR A 32 -7.161 11.968 -10.671 1.00 0.44 C ATOM 478 O TYR A 32 -7.921 11.008 -10.517 1.00 0.48 O ATOM 479 CB TYR A 32 -6.345 12.731 -8.429 1.00 0.46 C ATOM 480 CG TYR A 32 -4.855 12.898 -8.621 1.00 0.46 C ATOM 481 CD1 TYR A 32 -4.266 14.153 -8.544 1.00 0.51 C ATOM 482 CD2 TYR A 32 -4.041 11.806 -8.881 1.00 0.46 C ATOM 483 CE1 TYR A 32 -2.910 14.315 -8.721 1.00 0.55 C ATOM 484 CE2 TYR A 32 -2.680 11.960 -9.058 1.00 0.50 C ATOM 485 CZ TYR A 32 -2.121 13.217 -8.977 1.00 0.54 C ATOM 486 OH TYR A 32 -0.768 13.375 -9.155 1.00 0.60 O ATOM 0 H TYR A 32 -9.182 12.661 -9.400 1.00 0.50 H new ATOM 0 HA TYR A 32 -6.685 13.993 -10.105 1.00 0.46 H new ATOM 0 HB2 TYR A 32 -6.667 13.344 -7.587 1.00 0.46 H new ATOM 0 HB3 TYR A 32 -6.557 11.694 -8.168 1.00 0.46 H new ATOM 0 HD1 TYR A 32 -4.882 15.017 -8.342 1.00 0.51 H new ATOM 0 HD2 TYR A 32 -4.478 10.820 -8.946 1.00 0.46 H new ATOM 0 HE1 TYR A 32 -2.468 15.299 -8.659 1.00 0.55 H new ATOM 0 HE2 TYR A 32 -2.058 11.101 -9.259 1.00 0.50 H new ATOM 0 HH TYR A 32 -0.356 12.502 -9.326 1.00 0.60 H new ATOM 496 N ASP A 33 -6.324 12.076 -11.692 1.00 0.43 N ATOM 497 CA ASP A 33 -6.254 11.064 -12.739 1.00 0.42 C ATOM 498 C ASP A 33 -5.594 9.782 -12.235 1.00 0.39 C ATOM 499 O ASP A 33 -4.488 9.810 -11.687 1.00 0.42 O ATOM 500 CB ASP A 33 -5.497 11.619 -13.949 1.00 0.50 C ATOM 501 CG ASP A 33 -5.732 10.811 -15.210 1.00 0.55 C ATOM 502 OD1 ASP A 33 -5.459 9.598 -15.206 1.00 0.80 O ATOM 503 OD2 ASP A 33 -6.185 11.389 -16.221 1.00 0.60 O ATOM 0 H ASP A 33 -5.681 12.857 -11.819 1.00 0.43 H new ATOM 0 HA ASP A 33 -7.272 10.812 -13.038 1.00 0.42 H new ATOM 0 HB2 ASP A 33 -5.803 12.651 -14.122 1.00 0.50 H new ATOM 0 HB3 ASP A 33 -4.430 11.636 -13.728 1.00 0.50 H new ATOM 508 N PRO A 34 -6.277 8.639 -12.408 1.00 0.38 N ATOM 509 CA PRO A 34 -5.767 7.330 -11.974 1.00 0.41 C ATOM 510 C PRO A 34 -4.524 6.894 -12.744 1.00 0.42 C ATOM 511 O PRO A 34 -3.675 6.175 -12.214 1.00 0.52 O ATOM 512 CB PRO A 34 -6.931 6.374 -12.272 1.00 0.50 C ATOM 513 CG PRO A 34 -7.779 7.072 -13.280 1.00 0.49 C ATOM 514 CD PRO A 34 -7.615 8.541 -13.023 1.00 0.42 C ATOM 0 HA PRO A 34 -5.461 7.349 -10.928 1.00 0.41 H new ATOM 0 HB2 PRO A 34 -6.567 5.422 -12.659 1.00 0.50 H new ATOM 0 HB3 PRO A 34 -7.499 6.154 -11.368 1.00 0.50 H new ATOM 0 HG2 PRO A 34 -7.468 6.817 -14.293 1.00 0.49 H new ATOM 0 HG3 PRO A 34 -8.823 6.774 -13.183 1.00 0.49 H new ATOM 0 HD2 PRO A 34 -7.675 9.118 -13.945 1.00 0.42 H new ATOM 0 HD3 PRO A 34 -8.391 8.921 -12.358 1.00 0.42 H new ATOM 522 N THR A 35 -4.412 7.367 -13.978 1.00 0.37 N ATOM 523 CA THR A 35 -3.300 7.013 -14.850 1.00 0.42 C ATOM 524 C THR A 35 -2.037 7.794 -14.497 1.00 0.40 C ATOM 525 O THR A 35 -0.944 7.483 -14.980 1.00 0.41 O ATOM 526 CB THR A 35 -3.657 7.285 -16.321 1.00 0.52 C ATOM 527 OG1 THR A 35 -5.079 7.416 -16.458 1.00 0.74 O ATOM 528 CG2 THR A 35 -3.158 6.171 -17.229 1.00 0.89 C ATOM 0 H THR A 35 -5.086 8.004 -14.401 1.00 0.37 H new ATOM 0 HA THR A 35 -3.108 5.950 -14.705 1.00 0.42 H new ATOM 0 HB THR A 35 -3.168 8.212 -16.620 1.00 0.52 H new ATOM 0 HG1 THR A 35 -5.345 8.335 -16.244 1.00 0.74 H new ATOM 0 HG21 THR A 35 -3.427 6.395 -18.261 1.00 0.89 H new ATOM 0 HG22 THR A 35 -2.074 6.092 -17.146 1.00 0.89 H new ATOM 0 HG23 THR A 35 -3.615 5.227 -16.932 1.00 0.89 H new ATOM 536 N ILE A 36 -2.184 8.824 -13.671 1.00 0.45 N ATOM 537 CA ILE A 36 -1.038 9.628 -13.271 1.00 0.48 C ATOM 538 C ILE A 36 -0.223 8.898 -12.214 1.00 0.47 C ATOM 539 O ILE A 36 -0.733 8.532 -11.151 1.00 0.54 O ATOM 540 CB ILE A 36 -1.445 11.032 -12.761 1.00 0.54 C ATOM 541 CG1 ILE A 36 -1.843 11.917 -13.946 1.00 0.62 C ATOM 542 CG2 ILE A 36 -0.306 11.685 -11.975 1.00 0.65 C ATOM 543 CD1 ILE A 36 -2.347 13.287 -13.549 1.00 0.73 C ATOM 0 H ILE A 36 -3.074 9.119 -13.270 1.00 0.45 H new ATOM 0 HA ILE A 36 -0.427 9.777 -14.161 1.00 0.48 H new ATOM 0 HB ILE A 36 -2.296 10.921 -12.090 1.00 0.54 H new ATOM 0 HG12 ILE A 36 -0.982 12.035 -14.604 1.00 0.62 H new ATOM 0 HG13 ILE A 36 -2.617 11.409 -14.522 1.00 0.62 H new ATOM 0 HG21 ILE A 36 -0.620 12.670 -11.629 1.00 0.65 H new ATOM 0 HG22 ILE A 36 -0.053 11.063 -11.117 1.00 0.65 H new ATOM 0 HG23 ILE A 36 0.568 11.788 -12.619 1.00 0.65 H new ATOM 0 HD11 ILE A 36 -2.608 13.852 -14.444 1.00 0.73 H new ATOM 0 HD12 ILE A 36 -3.228 13.181 -12.917 1.00 0.73 H new ATOM 0 HD13 ILE A 36 -1.568 13.816 -13.000 1.00 0.73 H new ATOM 555 N GLU A 37 1.041 8.683 -12.538 1.00 0.49 N ATOM 556 CA GLU A 37 1.977 8.001 -11.661 1.00 0.48 C ATOM 557 C GLU A 37 3.052 8.986 -11.232 1.00 0.50 C ATOM 558 O GLU A 37 3.654 9.642 -12.082 1.00 0.79 O ATOM 559 CB GLU A 37 2.602 6.824 -12.419 1.00 0.51 C ATOM 560 CG GLU A 37 3.433 5.881 -11.567 1.00 0.57 C ATOM 561 CD GLU A 37 3.498 4.498 -12.177 1.00 0.59 C ATOM 562 OE1 GLU A 37 2.560 3.703 -11.958 1.00 0.64 O ATOM 563 OE2 GLU A 37 4.470 4.207 -12.906 1.00 0.81 O ATOM 0 H GLU A 37 1.449 8.979 -13.424 1.00 0.49 H new ATOM 0 HA GLU A 37 1.466 7.621 -10.776 1.00 0.48 H new ATOM 0 HB2 GLU A 37 1.805 6.253 -12.894 1.00 0.51 H new ATOM 0 HB3 GLU A 37 3.231 7.218 -13.217 1.00 0.51 H new ATOM 0 HG2 GLU A 37 4.441 6.280 -11.458 1.00 0.57 H new ATOM 0 HG3 GLU A 37 3.005 5.819 -10.567 1.00 0.57 H new ATOM 570 N ASP A 38 3.277 9.118 -9.927 1.00 0.30 N ATOM 571 CA ASP A 38 4.284 10.049 -9.430 1.00 0.33 C ATOM 572 C ASP A 38 4.956 9.520 -8.166 1.00 0.31 C ATOM 573 O ASP A 38 4.376 8.729 -7.413 1.00 0.34 O ATOM 574 CB ASP A 38 3.669 11.425 -9.145 1.00 0.42 C ATOM 575 CG ASP A 38 4.724 12.509 -8.959 1.00 0.54 C ATOM 576 OD1 ASP A 38 5.752 12.473 -9.670 1.00 1.29 O ATOM 577 OD2 ASP A 38 4.520 13.415 -8.119 1.00 1.12 O ATOM 0 H ASP A 38 2.782 8.598 -9.203 1.00 0.30 H new ATOM 0 HA ASP A 38 5.038 10.151 -10.210 1.00 0.33 H new ATOM 0 HB2 ASP A 38 3.009 11.702 -9.967 1.00 0.42 H new ATOM 0 HB3 ASP A 38 3.052 11.365 -8.248 1.00 0.42 H new ATOM 582 N SER A 39 6.181 9.970 -7.941 1.00 0.33 N ATOM 583 CA SER A 39 6.964 9.570 -6.783 1.00 0.35 C ATOM 584 C SER A 39 7.010 10.707 -5.768 1.00 0.27 C ATOM 585 O SER A 39 7.317 11.850 -6.119 1.00 0.35 O ATOM 586 CB SER A 39 8.373 9.190 -7.236 1.00 0.51 C ATOM 587 OG SER A 39 8.426 9.048 -8.650 1.00 0.78 O ATOM 0 H SER A 39 6.661 10.625 -8.558 1.00 0.33 H new ATOM 0 HA SER A 39 6.501 8.706 -6.305 1.00 0.35 H new ATOM 0 HB2 SER A 39 9.082 9.954 -6.916 1.00 0.51 H new ATOM 0 HB3 SER A 39 8.674 8.256 -6.760 1.00 0.51 H new ATOM 0 HG SER A 39 9.336 8.806 -8.921 1.00 0.78 H new ATOM 593 N TYR A 40 6.689 10.400 -4.520 1.00 0.32 N ATOM 594 CA TYR A 40 6.671 11.400 -3.461 1.00 0.33 C ATOM 595 C TYR A 40 7.692 11.062 -2.375 1.00 0.31 C ATOM 596 O TYR A 40 7.952 9.893 -2.099 1.00 0.35 O ATOM 597 CB TYR A 40 5.270 11.484 -2.843 1.00 0.44 C ATOM 598 CG TYR A 40 4.155 11.674 -3.851 1.00 0.53 C ATOM 599 CD1 TYR A 40 3.560 10.583 -4.469 1.00 0.68 C ATOM 600 CD2 TYR A 40 3.694 12.941 -4.177 1.00 0.67 C ATOM 601 CE1 TYR A 40 2.539 10.750 -5.384 1.00 0.79 C ATOM 602 CE2 TYR A 40 2.675 13.117 -5.092 1.00 0.80 C ATOM 603 CZ TYR A 40 2.101 12.019 -5.692 1.00 0.80 C ATOM 604 OH TYR A 40 1.082 12.189 -6.600 1.00 0.94 O ATOM 0 H TYR A 40 6.436 9.461 -4.214 1.00 0.32 H new ATOM 0 HA TYR A 40 6.934 12.363 -3.898 1.00 0.33 H new ATOM 0 HB2 TYR A 40 5.080 10.572 -2.276 1.00 0.44 H new ATOM 0 HB3 TYR A 40 5.247 12.311 -2.133 1.00 0.44 H new ATOM 0 HD1 TYR A 40 3.901 9.586 -4.230 1.00 0.68 H new ATOM 0 HD2 TYR A 40 4.140 13.805 -3.707 1.00 0.67 H new ATOM 0 HE1 TYR A 40 2.086 9.890 -5.855 1.00 0.79 H new ATOM 0 HE2 TYR A 40 2.330 14.111 -5.336 1.00 0.80 H new ATOM 0 HH TYR A 40 0.893 13.145 -6.704 1.00 0.94 H new ATOM 614 N ARG A 41 8.261 12.093 -1.759 1.00 0.33 N ATOM 615 CA ARG A 41 9.241 11.910 -0.693 1.00 0.34 C ATOM 616 C ARG A 41 8.749 12.548 0.594 1.00 0.40 C ATOM 617 O ARG A 41 8.191 13.649 0.578 1.00 0.53 O ATOM 618 CB ARG A 41 10.590 12.517 -1.077 1.00 0.40 C ATOM 619 CG ARG A 41 11.631 11.477 -1.437 1.00 0.38 C ATOM 620 CD ARG A 41 11.280 10.786 -2.735 1.00 0.36 C ATOM 621 NE ARG A 41 11.454 11.668 -3.887 1.00 0.40 N ATOM 622 CZ ARG A 41 11.808 11.237 -5.092 1.00 0.48 C ATOM 623 NH1 ARG A 41 12.011 9.942 -5.298 1.00 0.56 N ATOM 624 NH2 ARG A 41 11.983 12.104 -6.082 1.00 0.56 N ATOM 0 H ARG A 41 8.060 13.068 -1.981 1.00 0.33 H new ATOM 0 HA ARG A 41 9.369 10.838 -0.541 1.00 0.34 H new ATOM 0 HB2 ARG A 41 10.451 13.190 -1.923 1.00 0.40 H new ATOM 0 HB3 ARG A 41 10.959 13.120 -0.247 1.00 0.40 H new ATOM 0 HG2 ARG A 41 12.608 11.951 -1.526 1.00 0.38 H new ATOM 0 HG3 ARG A 41 11.706 10.740 -0.637 1.00 0.38 H new ATOM 0 HD2 ARG A 41 11.906 9.902 -2.857 1.00 0.36 H new ATOM 0 HD3 ARG A 41 10.247 10.441 -2.695 1.00 0.36 H new ATOM 0 HE ARG A 41 11.295 12.667 -3.759 1.00 0.40 H new ATOM 0 HH11 ARG A 41 11.895 9.279 -4.531 1.00 0.56 H new ATOM 0 HH12 ARG A 41 12.283 9.609 -6.223 1.00 0.56 H new ATOM 0 HH21 ARG A 41 11.846 13.101 -5.917 1.00 0.56 H new ATOM 0 HH22 ARG A 41 12.255 11.773 -7.008 1.00 0.56 H new ATOM 638 N LYS A 42 8.957 11.860 1.706 1.00 0.36 N ATOM 639 CA LYS A 42 8.528 12.356 3.002 1.00 0.44 C ATOM 640 C LYS A 42 9.499 11.925 4.094 1.00 0.36 C ATOM 641 O LYS A 42 9.747 10.735 4.274 1.00 0.32 O ATOM 642 CB LYS A 42 7.122 11.838 3.317 1.00 0.56 C ATOM 643 CG LYS A 42 6.544 12.375 4.615 1.00 0.72 C ATOM 644 CD LYS A 42 5.222 11.707 4.946 1.00 1.07 C ATOM 645 CE LYS A 42 4.623 12.255 6.232 1.00 1.33 C ATOM 646 NZ LYS A 42 4.340 13.710 6.137 1.00 1.46 N ATOM 0 H LYS A 42 9.422 10.953 1.735 1.00 0.36 H new ATOM 0 HA LYS A 42 8.512 13.445 2.968 1.00 0.44 H new ATOM 0 HB2 LYS A 42 6.455 12.104 2.497 1.00 0.56 H new ATOM 0 HB3 LYS A 42 7.149 10.749 3.366 1.00 0.56 H new ATOM 0 HG2 LYS A 42 7.252 12.209 5.427 1.00 0.72 H new ATOM 0 HG3 LYS A 42 6.400 13.452 4.533 1.00 0.72 H new ATOM 0 HD2 LYS A 42 4.522 11.858 4.125 1.00 1.07 H new ATOM 0 HD3 LYS A 42 5.372 10.632 5.043 1.00 1.07 H new ATOM 0 HE2 LYS A 42 3.701 11.720 6.459 1.00 1.33 H new ATOM 0 HE3 LYS A 42 5.310 12.072 7.059 1.00 1.33 H new ATOM 0 HZ1 LYS A 42 3.826 14.020 6.986 1.00 1.46 H new ATOM 0 HZ2 LYS A 42 5.236 14.234 6.064 1.00 1.46 H new ATOM 0 HZ3 LYS A 42 3.760 13.897 5.294 1.00 1.46 H new ATOM 660 N GLN A 43 10.059 12.894 4.804 1.00 0.46 N ATOM 661 CA GLN A 43 10.986 12.605 5.890 1.00 0.42 C ATOM 662 C GLN A 43 10.232 12.600 7.216 1.00 0.48 C ATOM 663 O GLN A 43 9.661 13.613 7.627 1.00 0.63 O ATOM 664 CB GLN A 43 12.148 13.613 5.922 1.00 0.53 C ATOM 665 CG GLN A 43 11.727 15.079 5.869 1.00 0.73 C ATOM 666 CD GLN A 43 12.270 15.798 4.650 1.00 1.26 C ATOM 667 OE1 GLN A 43 13.436 16.195 4.620 1.00 1.75 O ATOM 668 NE2 GLN A 43 11.427 15.994 3.648 1.00 1.89 N ATOM 0 H GLN A 43 9.888 13.887 4.648 1.00 0.46 H new ATOM 0 HA GLN A 43 11.421 11.620 5.722 1.00 0.42 H new ATOM 0 HB2 GLN A 43 12.728 13.449 6.830 1.00 0.53 H new ATOM 0 HB3 GLN A 43 12.810 13.409 5.080 1.00 0.53 H new ATOM 0 HG2 GLN A 43 10.639 15.141 5.868 1.00 0.73 H new ATOM 0 HG3 GLN A 43 12.074 15.586 6.770 1.00 0.73 H new ATOM 0 HE21 GLN A 43 10.469 15.649 3.712 1.00 1.89 H new ATOM 0 HE22 GLN A 43 11.735 16.490 2.812 1.00 1.89 H new ATOM 677 N VAL A 44 10.206 11.445 7.868 1.00 0.41 N ATOM 678 CA VAL A 44 9.499 11.298 9.131 1.00 0.50 C ATOM 679 C VAL A 44 10.403 10.706 10.202 1.00 0.41 C ATOM 680 O VAL A 44 11.149 9.759 9.946 1.00 0.38 O ATOM 681 CB VAL A 44 8.257 10.386 8.983 1.00 0.65 C ATOM 682 CG1 VAL A 44 7.288 10.600 10.132 1.00 0.92 C ATOM 683 CG2 VAL A 44 7.560 10.625 7.656 1.00 1.09 C ATOM 0 H VAL A 44 10.667 10.596 7.542 1.00 0.41 H new ATOM 0 HA VAL A 44 9.182 12.298 9.427 1.00 0.50 H new ATOM 0 HB VAL A 44 8.601 9.352 9.008 1.00 0.65 H new ATOM 0 HG11 VAL A 44 6.424 9.948 10.005 1.00 0.92 H new ATOM 0 HG12 VAL A 44 7.784 10.366 11.074 1.00 0.92 H new ATOM 0 HG13 VAL A 44 6.960 11.639 10.143 1.00 0.92 H new ATOM 0 HG21 VAL A 44 6.691 9.971 7.578 1.00 1.09 H new ATOM 0 HG22 VAL A 44 7.238 11.665 7.596 1.00 1.09 H new ATOM 0 HG23 VAL A 44 8.249 10.411 6.839 1.00 1.09 H new ATOM 693 N VAL A 45 10.328 11.266 11.401 1.00 0.46 N ATOM 694 CA VAL A 45 11.115 10.780 12.523 1.00 0.41 C ATOM 695 C VAL A 45 10.300 9.739 13.282 1.00 0.46 C ATOM 696 O VAL A 45 9.756 10.006 14.353 1.00 0.65 O ATOM 697 CB VAL A 45 11.525 11.929 13.473 1.00 0.43 C ATOM 698 CG1 VAL A 45 12.583 11.462 14.460 1.00 0.47 C ATOM 699 CG2 VAL A 45 12.027 13.124 12.678 1.00 0.54 C ATOM 0 H VAL A 45 9.727 12.060 11.621 1.00 0.46 H new ATOM 0 HA VAL A 45 12.032 10.334 12.138 1.00 0.41 H new ATOM 0 HB VAL A 45 10.644 12.235 14.038 1.00 0.43 H new ATOM 0 HG11 VAL A 45 12.856 12.287 15.118 1.00 0.47 H new ATOM 0 HG12 VAL A 45 12.187 10.639 15.055 1.00 0.47 H new ATOM 0 HG13 VAL A 45 13.465 11.125 13.916 1.00 0.47 H new ATOM 0 HG21 VAL A 45 12.311 13.923 13.363 1.00 0.54 H new ATOM 0 HG22 VAL A 45 12.893 12.829 12.085 1.00 0.54 H new ATOM 0 HG23 VAL A 45 11.237 13.478 12.015 1.00 0.54 H new ATOM 709 N ILE A 46 10.192 8.556 12.694 1.00 0.45 N ATOM 710 CA ILE A 46 9.420 7.471 13.280 1.00 0.52 C ATOM 711 C ILE A 46 10.229 6.717 14.322 1.00 0.47 C ATOM 712 O ILE A 46 11.229 6.070 13.995 1.00 0.47 O ATOM 713 CB ILE A 46 8.930 6.484 12.197 1.00 0.65 C ATOM 714 CG1 ILE A 46 8.154 7.244 11.119 1.00 0.79 C ATOM 715 CG2 ILE A 46 8.058 5.396 12.814 1.00 1.06 C ATOM 716 CD1 ILE A 46 8.018 6.493 9.816 1.00 0.81 C ATOM 0 H ILE A 46 10.633 8.323 11.804 1.00 0.45 H new ATOM 0 HA ILE A 46 8.555 7.923 13.765 1.00 0.52 H new ATOM 0 HB ILE A 46 9.796 6.004 11.741 1.00 0.65 H new ATOM 0 HG12 ILE A 46 7.159 7.477 11.498 1.00 0.79 H new ATOM 0 HG13 ILE A 46 8.653 8.194 10.929 1.00 0.79 H new ATOM 0 HG21 ILE A 46 7.724 4.712 12.034 1.00 1.06 H new ATOM 0 HG22 ILE A 46 8.635 4.845 13.557 1.00 1.06 H new ATOM 0 HG23 ILE A 46 7.191 5.852 13.293 1.00 1.06 H new ATOM 0 HD11 ILE A 46 7.456 7.098 9.104 1.00 0.81 H new ATOM 0 HD12 ILE A 46 9.008 6.283 9.412 1.00 0.81 H new ATOM 0 HD13 ILE A 46 7.491 5.555 9.990 1.00 0.81 H new ATOM 728 N ASP A 47 9.789 6.828 15.575 1.00 0.48 N ATOM 729 CA ASP A 47 10.429 6.154 16.707 1.00 0.50 C ATOM 730 C ASP A 47 11.829 6.703 16.949 1.00 0.45 C ATOM 731 O ASP A 47 12.704 5.999 17.450 1.00 0.53 O ATOM 732 CB ASP A 47 10.488 4.631 16.498 1.00 0.56 C ATOM 733 CG ASP A 47 9.129 4.016 16.226 1.00 0.65 C ATOM 734 OD1 ASP A 47 8.118 4.522 16.762 1.00 0.97 O ATOM 735 OD2 ASP A 47 9.064 3.026 15.468 1.00 0.79 O ATOM 0 H ASP A 47 8.978 7.388 15.835 1.00 0.48 H new ATOM 0 HA ASP A 47 9.818 6.353 17.587 1.00 0.50 H new ATOM 0 HB2 ASP A 47 11.154 4.410 15.664 1.00 0.56 H new ATOM 0 HB3 ASP A 47 10.921 4.165 17.383 1.00 0.56 H new ATOM 740 N GLY A 48 12.028 7.968 16.598 1.00 0.41 N ATOM 741 CA GLY A 48 13.316 8.605 16.789 1.00 0.43 C ATOM 742 C GLY A 48 14.231 8.435 15.592 1.00 0.43 C ATOM 743 O GLY A 48 15.258 9.102 15.490 1.00 0.60 O ATOM 0 H GLY A 48 11.315 8.567 16.182 1.00 0.41 H new ATOM 0 HA2 GLY A 48 13.167 9.668 16.981 1.00 0.43 H new ATOM 0 HA3 GLY A 48 13.797 8.186 17.673 1.00 0.43 H new ATOM 747 N GLU A 49 13.850 7.548 14.686 1.00 0.40 N ATOM 748 CA GLU A 49 14.637 7.276 13.494 1.00 0.43 C ATOM 749 C GLU A 49 14.161 8.123 12.318 1.00 0.34 C ATOM 750 O GLU A 49 13.054 7.930 11.809 1.00 0.36 O ATOM 751 CB GLU A 49 14.539 5.792 13.130 1.00 0.52 C ATOM 752 CG GLU A 49 15.096 4.853 14.190 1.00 0.72 C ATOM 753 CD GLU A 49 16.579 4.611 14.013 1.00 0.96 C ATOM 754 OE1 GLU A 49 17.383 5.371 14.587 1.00 1.30 O ATOM 755 OE2 GLU A 49 16.945 3.665 13.285 1.00 1.41 O ATOM 0 H GLU A 49 12.993 7.000 14.755 1.00 0.40 H new ATOM 0 HA GLU A 49 15.675 7.533 13.708 1.00 0.43 H new ATOM 0 HB2 GLU A 49 13.493 5.541 12.951 1.00 0.52 H new ATOM 0 HB3 GLU A 49 15.072 5.623 12.194 1.00 0.52 H new ATOM 0 HG2 GLU A 49 14.913 5.274 15.179 1.00 0.72 H new ATOM 0 HG3 GLU A 49 14.566 3.902 14.146 1.00 0.72 H new ATOM 762 N THR A 50 14.988 9.072 11.905 1.00 0.35 N ATOM 763 CA THR A 50 14.656 9.926 10.778 1.00 0.32 C ATOM 764 C THR A 50 14.779 9.137 9.475 1.00 0.30 C ATOM 765 O THR A 50 15.882 8.862 8.998 1.00 0.38 O ATOM 766 CB THR A 50 15.574 11.156 10.727 1.00 0.45 C ATOM 767 OG1 THR A 50 15.891 11.585 12.062 1.00 0.63 O ATOM 768 CG2 THR A 50 14.905 12.293 9.968 1.00 0.47 C ATOM 0 H THR A 50 15.892 9.269 12.334 1.00 0.35 H new ATOM 0 HA THR A 50 13.629 10.269 10.902 1.00 0.32 H new ATOM 0 HB THR A 50 16.492 10.881 10.207 1.00 0.45 H new ATOM 0 HG1 THR A 50 16.478 12.369 12.023 1.00 0.63 H new ATOM 0 HG21 THR A 50 15.571 13.155 9.943 1.00 0.47 H new ATOM 0 HG22 THR A 50 14.688 11.972 8.949 1.00 0.47 H new ATOM 0 HG23 THR A 50 13.976 12.567 10.468 1.00 0.47 H new ATOM 776 N CYS A 51 13.643 8.764 8.909 1.00 0.31 N ATOM 777 CA CYS A 51 13.622 7.987 7.682 1.00 0.40 C ATOM 778 C CYS A 51 13.005 8.784 6.539 1.00 0.34 C ATOM 779 O CYS A 51 12.079 9.573 6.740 1.00 0.35 O ATOM 780 CB CYS A 51 12.831 6.694 7.902 1.00 0.53 C ATOM 781 SG CYS A 51 13.119 5.927 9.517 1.00 0.71 S ATOM 0 H CYS A 51 12.720 8.988 9.282 1.00 0.31 H new ATOM 0 HA CYS A 51 14.650 7.745 7.412 1.00 0.40 H new ATOM 0 HB2 CYS A 51 11.767 6.907 7.796 1.00 0.53 H new ATOM 0 HB3 CYS A 51 13.093 5.981 7.120 1.00 0.53 H new ATOM 0 HG CYS A 51 12.996 6.823 10.451 1.00 0.71 H new ATOM 787 N LEU A 52 13.544 8.587 5.348 1.00 0.32 N ATOM 788 CA LEU A 52 13.041 9.256 4.163 1.00 0.30 C ATOM 789 C LEU A 52 12.200 8.270 3.368 1.00 0.28 C ATOM 790 O LEU A 52 12.721 7.310 2.804 1.00 0.35 O ATOM 791 CB LEU A 52 14.196 9.797 3.312 1.00 0.37 C ATOM 792 CG LEU A 52 13.777 10.612 2.085 1.00 0.40 C ATOM 793 CD1 LEU A 52 13.014 11.865 2.500 1.00 0.48 C ATOM 794 CD2 LEU A 52 14.993 10.971 1.236 1.00 0.47 C ATOM 0 H LEU A 52 14.334 7.965 5.177 1.00 0.32 H new ATOM 0 HA LEU A 52 12.426 10.107 4.457 1.00 0.30 H new ATOM 0 HB2 LEU A 52 14.830 10.420 3.943 1.00 0.37 H new ATOM 0 HB3 LEU A 52 14.805 8.957 2.979 1.00 0.37 H new ATOM 0 HG LEU A 52 13.110 9.998 1.480 1.00 0.40 H new ATOM 0 HD11 LEU A 52 12.727 12.427 1.611 1.00 0.48 H new ATOM 0 HD12 LEU A 52 12.119 11.580 3.053 1.00 0.48 H new ATOM 0 HD13 LEU A 52 13.649 12.485 3.132 1.00 0.48 H new ATOM 0 HD21 LEU A 52 14.674 11.550 0.369 1.00 0.47 H new ATOM 0 HD22 LEU A 52 15.690 11.562 1.830 1.00 0.47 H new ATOM 0 HD23 LEU A 52 15.485 10.058 0.901 1.00 0.47 H new ATOM 806 N LEU A 53 10.898 8.490 3.354 1.00 0.27 N ATOM 807 CA LEU A 53 9.989 7.603 2.654 1.00 0.29 C ATOM 808 C LEU A 53 9.920 7.928 1.167 1.00 0.25 C ATOM 809 O LEU A 53 9.536 9.035 0.777 1.00 0.30 O ATOM 810 CB LEU A 53 8.592 7.682 3.274 1.00 0.37 C ATOM 811 CG LEU A 53 8.544 7.486 4.788 1.00 0.39 C ATOM 812 CD1 LEU A 53 7.130 7.692 5.301 1.00 0.59 C ATOM 813 CD2 LEU A 53 9.056 6.104 5.166 1.00 0.87 C ATOM 0 H LEU A 53 10.446 9.277 3.820 1.00 0.27 H new ATOM 0 HA LEU A 53 10.373 6.588 2.756 1.00 0.29 H new ATOM 0 HB2 LEU A 53 8.160 8.654 3.035 1.00 0.37 H new ATOM 0 HB3 LEU A 53 7.960 6.928 2.805 1.00 0.37 H new ATOM 0 HG LEU A 53 9.193 8.228 5.254 1.00 0.39 H new ATOM 0 HD11 LEU A 53 7.111 7.549 6.381 1.00 0.59 H new ATOM 0 HD12 LEU A 53 6.800 8.703 5.063 1.00 0.59 H new ATOM 0 HD13 LEU A 53 6.463 6.972 4.828 1.00 0.59 H new ATOM 0 HD21 LEU A 53 9.014 5.984 6.249 1.00 0.87 H new ATOM 0 HD22 LEU A 53 8.435 5.344 4.692 1.00 0.87 H new ATOM 0 HD23 LEU A 53 10.086 5.993 4.829 1.00 0.87 H new ATOM 825 N ASP A 54 10.327 6.959 0.358 1.00 0.23 N ATOM 826 CA ASP A 54 10.299 7.067 -1.091 1.00 0.24 C ATOM 827 C ASP A 54 9.073 6.301 -1.586 1.00 0.24 C ATOM 828 O ASP A 54 9.146 5.113 -1.906 1.00 0.28 O ATOM 829 CB ASP A 54 11.586 6.477 -1.676 1.00 0.26 C ATOM 830 CG ASP A 54 11.809 6.841 -3.128 1.00 0.39 C ATOM 831 OD1 ASP A 54 11.575 5.982 -4.003 1.00 0.96 O ATOM 832 OD2 ASP A 54 12.241 7.977 -3.402 1.00 1.03 O ATOM 0 H ASP A 54 10.689 6.067 0.695 1.00 0.23 H new ATOM 0 HA ASP A 54 10.237 8.108 -1.407 1.00 0.24 H new ATOM 0 HB2 ASP A 54 12.436 6.823 -1.088 1.00 0.26 H new ATOM 0 HB3 ASP A 54 11.555 5.392 -1.582 1.00 0.26 H new ATOM 837 N ILE A 55 7.939 6.986 -1.608 1.00 0.24 N ATOM 838 CA ILE A 55 6.670 6.375 -1.996 1.00 0.27 C ATOM 839 C ILE A 55 6.315 6.656 -3.457 1.00 0.26 C ATOM 840 O ILE A 55 6.684 7.692 -4.006 1.00 0.34 O ATOM 841 CB ILE A 55 5.539 6.885 -1.076 1.00 0.34 C ATOM 842 CG1 ILE A 55 6.035 6.927 0.375 1.00 0.46 C ATOM 843 CG2 ILE A 55 4.309 5.995 -1.192 1.00 0.40 C ATOM 844 CD1 ILE A 55 5.136 7.704 1.311 1.00 0.68 C ATOM 0 H ILE A 55 7.869 7.973 -1.360 1.00 0.24 H new ATOM 0 HA ILE A 55 6.781 5.296 -1.887 1.00 0.27 H new ATOM 0 HB ILE A 55 5.258 7.891 -1.387 1.00 0.34 H new ATOM 0 HG12 ILE A 55 6.131 5.906 0.745 1.00 0.46 H new ATOM 0 HG13 ILE A 55 7.031 7.369 0.395 1.00 0.46 H new ATOM 0 HG21 ILE A 55 3.524 6.372 -0.536 1.00 0.40 H new ATOM 0 HG22 ILE A 55 3.953 5.998 -2.222 1.00 0.40 H new ATOM 0 HG23 ILE A 55 4.568 4.977 -0.901 1.00 0.40 H new ATOM 0 HD11 ILE A 55 5.556 7.686 2.317 1.00 0.68 H new ATOM 0 HD12 ILE A 55 5.059 8.736 0.968 1.00 0.68 H new ATOM 0 HD13 ILE A 55 4.145 7.251 1.324 1.00 0.68 H new ATOM 856 N LEU A 56 5.590 5.732 -4.077 1.00 0.30 N ATOM 857 CA LEU A 56 5.194 5.875 -5.469 1.00 0.32 C ATOM 858 C LEU A 56 3.741 5.444 -5.673 1.00 0.33 C ATOM 859 O LEU A 56 3.331 4.379 -5.203 1.00 0.39 O ATOM 860 CB LEU A 56 6.128 5.035 -6.347 1.00 0.37 C ATOM 861 CG LEU A 56 5.702 4.870 -7.809 1.00 0.42 C ATOM 862 CD1 LEU A 56 6.132 6.071 -8.639 1.00 0.45 C ATOM 863 CD2 LEU A 56 6.272 3.580 -8.376 1.00 0.46 C ATOM 0 H LEU A 56 5.264 4.873 -3.634 1.00 0.30 H new ATOM 0 HA LEU A 56 5.271 6.925 -5.753 1.00 0.32 H new ATOM 0 HB2 LEU A 56 7.119 5.488 -6.326 1.00 0.37 H new ATOM 0 HB3 LEU A 56 6.221 4.044 -5.902 1.00 0.37 H new ATOM 0 HG LEU A 56 4.614 4.814 -7.851 1.00 0.42 H new ATOM 0 HD11 LEU A 56 5.818 5.930 -9.673 1.00 0.45 H new ATOM 0 HD12 LEU A 56 5.670 6.974 -8.239 1.00 0.45 H new ATOM 0 HD13 LEU A 56 7.217 6.171 -8.600 1.00 0.45 H new ATOM 0 HD21 LEU A 56 5.963 3.472 -9.416 1.00 0.46 H new ATOM 0 HD22 LEU A 56 7.360 3.608 -8.322 1.00 0.46 H new ATOM 0 HD23 LEU A 56 5.902 2.733 -7.798 1.00 0.46 H new ATOM 875 N ASP A 57 2.958 6.290 -6.339 1.00 0.32 N ATOM 876 CA ASP A 57 1.557 5.977 -6.627 1.00 0.34 C ATOM 877 C ASP A 57 1.455 5.299 -7.985 1.00 0.36 C ATOM 878 O ASP A 57 1.619 5.944 -9.019 1.00 0.40 O ATOM 879 CB ASP A 57 0.693 7.251 -6.610 1.00 0.35 C ATOM 880 CG ASP A 57 -0.655 7.078 -7.305 1.00 0.37 C ATOM 881 OD1 ASP A 57 -1.522 6.312 -6.864 1.00 0.37 O ATOM 882 OD2 ASP A 57 -0.936 7.730 -8.314 1.00 0.44 O ATOM 0 H ASP A 57 3.268 7.196 -6.690 1.00 0.32 H new ATOM 0 HA ASP A 57 1.186 5.304 -5.854 1.00 0.34 H new ATOM 0 HB2 ASP A 57 0.524 7.553 -5.576 1.00 0.35 H new ATOM 0 HB3 ASP A 57 1.241 8.060 -7.093 1.00 0.35 H new ATOM 887 N THR A 58 1.187 4.007 -7.977 1.00 0.40 N ATOM 888 CA THR A 58 1.084 3.243 -9.208 1.00 0.44 C ATOM 889 C THR A 58 -0.194 3.567 -9.976 1.00 0.41 C ATOM 890 O THR A 58 -1.277 3.711 -9.388 1.00 0.49 O ATOM 891 CB THR A 58 1.130 1.732 -8.923 1.00 0.53 C ATOM 892 OG1 THR A 58 0.208 1.403 -7.874 1.00 0.61 O ATOM 893 CG2 THR A 58 2.533 1.301 -8.526 1.00 0.73 C ATOM 0 H THR A 58 1.036 3.462 -7.128 1.00 0.40 H new ATOM 0 HA THR A 58 1.939 3.526 -9.822 1.00 0.44 H new ATOM 0 HB THR A 58 0.848 1.203 -9.833 1.00 0.53 H new ATOM 0 HG1 THR A 58 0.651 1.504 -7.006 1.00 0.61 H new ATOM 0 HG21 THR A 58 2.542 0.229 -8.329 1.00 0.73 H new ATOM 0 HG22 THR A 58 3.226 1.527 -9.336 1.00 0.73 H new ATOM 0 HG23 THR A 58 2.838 1.838 -7.628 1.00 0.73 H new ATOM 901 N ALA A 59 -0.054 3.703 -11.287 1.00 0.41 N ATOM 902 CA ALA A 59 -1.178 3.988 -12.163 1.00 0.39 C ATOM 903 C ALA A 59 -2.052 2.748 -12.319 1.00 0.40 C ATOM 904 O ALA A 59 -3.277 2.839 -12.373 1.00 0.56 O ATOM 905 CB ALA A 59 -0.667 4.458 -13.516 1.00 0.43 C ATOM 0 H ALA A 59 0.840 3.619 -11.771 1.00 0.41 H new ATOM 0 HA ALA A 59 -1.784 4.780 -11.723 1.00 0.39 H new ATOM 0 HB1 ALA A 59 -1.512 4.671 -14.170 1.00 0.43 H new ATOM 0 HB2 ALA A 59 -0.072 5.362 -13.386 1.00 0.43 H new ATOM 0 HB3 ALA A 59 -0.050 3.678 -13.963 1.00 0.43 H new ATOM 911 N GLY A 60 -1.412 1.590 -12.386 1.00 0.42 N ATOM 912 CA GLY A 60 -2.137 0.345 -12.529 1.00 0.46 C ATOM 913 C GLY A 60 -1.574 -0.510 -13.638 1.00 0.47 C ATOM 914 O GLY A 60 -1.149 -1.642 -13.409 1.00 0.72 O ATOM 0 H GLY A 60 -0.398 1.491 -12.344 1.00 0.42 H new ATOM 0 HA2 GLY A 60 -2.099 -0.207 -11.590 1.00 0.46 H new ATOM 0 HA3 GLY A 60 -3.187 0.557 -12.732 1.00 0.46 H new ATOM 918 N GLN A 61 -1.565 0.032 -14.843 1.00 0.43 N ATOM 919 CA GLN A 61 -1.040 -0.684 -15.989 1.00 0.51 C ATOM 920 C GLN A 61 0.270 -0.054 -16.418 1.00 0.44 C ATOM 921 O GLN A 61 0.413 1.169 -16.398 1.00 0.63 O ATOM 922 CB GLN A 61 -2.039 -0.677 -17.140 1.00 0.71 C ATOM 923 CG GLN A 61 -3.160 -1.687 -16.972 1.00 0.80 C ATOM 924 CD GLN A 61 -2.688 -3.117 -17.122 1.00 1.04 C ATOM 925 OE1 GLN A 61 -1.750 -3.405 -17.865 1.00 1.23 O ATOM 926 NE2 GLN A 61 -3.340 -4.022 -16.415 1.00 1.26 N ATOM 0 H GLN A 61 -1.916 0.967 -15.052 1.00 0.43 H new ATOM 0 HA GLN A 61 -0.866 -1.723 -15.708 1.00 0.51 H new ATOM 0 HB2 GLN A 61 -2.469 0.320 -17.232 1.00 0.71 H new ATOM 0 HB3 GLN A 61 -1.511 -0.883 -18.071 1.00 0.71 H new ATOM 0 HG2 GLN A 61 -3.613 -1.560 -15.989 1.00 0.80 H new ATOM 0 HG3 GLN A 61 -3.937 -1.486 -17.709 1.00 0.80 H new ATOM 0 HE21 GLN A 61 -4.112 -3.739 -15.812 1.00 1.26 H new ATOM 0 HE22 GLN A 61 -3.072 -5.004 -16.472 1.00 1.26 H new ATOM 935 N GLU A 62 1.219 -0.891 -16.800 1.00 0.51 N ATOM 936 CA GLU A 62 2.533 -0.419 -17.203 1.00 0.54 C ATOM 937 C GLU A 62 2.714 -0.512 -18.711 1.00 0.54 C ATOM 938 O GLU A 62 1.932 -1.165 -19.405 1.00 0.59 O ATOM 939 CB GLU A 62 3.618 -1.248 -16.510 1.00 0.70 C ATOM 940 CG GLU A 62 4.407 -0.481 -15.466 1.00 0.81 C ATOM 941 CD GLU A 62 5.088 0.747 -16.043 1.00 0.96 C ATOM 942 OE1 GLU A 62 5.439 0.732 -17.243 1.00 1.57 O ATOM 943 OE2 GLU A 62 5.266 1.735 -15.303 1.00 1.43 O ATOM 0 H GLU A 62 1.104 -1.904 -16.840 1.00 0.51 H new ATOM 0 HA GLU A 62 2.619 0.627 -16.908 1.00 0.54 H new ATOM 0 HB2 GLU A 62 3.153 -2.113 -16.037 1.00 0.70 H new ATOM 0 HB3 GLU A 62 4.307 -1.629 -17.264 1.00 0.70 H new ATOM 0 HG2 GLU A 62 3.739 -0.178 -14.660 1.00 0.81 H new ATOM 0 HG3 GLU A 62 5.158 -1.138 -15.027 1.00 0.81 H new ATOM 950 N GLU A 63 3.743 0.151 -19.214 1.00 0.55 N ATOM 951 CA GLU A 63 4.053 0.121 -20.630 1.00 0.59 C ATOM 952 C GLU A 63 4.771 -1.185 -20.929 1.00 0.47 C ATOM 953 O GLU A 63 4.494 -1.867 -21.918 1.00 0.50 O ATOM 954 CB GLU A 63 4.931 1.320 -21.009 1.00 0.70 C ATOM 955 CG GLU A 63 5.235 1.415 -22.497 1.00 0.96 C ATOM 956 CD GLU A 63 6.146 2.578 -22.832 1.00 1.10 C ATOM 957 OE1 GLU A 63 7.345 2.531 -22.477 1.00 1.32 O ATOM 958 OE2 GLU A 63 5.669 3.547 -23.458 1.00 1.38 O ATOM 0 H GLU A 63 4.380 0.720 -18.656 1.00 0.55 H new ATOM 0 HA GLU A 63 3.137 0.184 -21.217 1.00 0.59 H new ATOM 0 HB2 GLU A 63 4.435 2.237 -20.690 1.00 0.70 H new ATOM 0 HB3 GLU A 63 5.870 1.258 -20.459 1.00 0.70 H new ATOM 0 HG2 GLU A 63 5.700 0.487 -22.829 1.00 0.96 H new ATOM 0 HG3 GLU A 63 4.301 1.519 -23.049 1.00 0.96 H new ATOM 965 N TYR A 64 5.677 -1.539 -20.033 1.00 0.40 N ATOM 966 CA TYR A 64 6.440 -2.762 -20.144 1.00 0.34 C ATOM 967 C TYR A 64 6.297 -3.557 -18.858 1.00 0.30 C ATOM 968 O TYR A 64 6.484 -3.020 -17.768 1.00 0.30 O ATOM 969 CB TYR A 64 7.907 -2.450 -20.433 1.00 0.36 C ATOM 970 CG TYR A 64 8.135 -1.935 -21.835 1.00 0.44 C ATOM 971 CD1 TYR A 64 7.733 -2.678 -22.938 1.00 0.59 C ATOM 972 CD2 TYR A 64 8.744 -0.711 -22.056 1.00 0.66 C ATOM 973 CE1 TYR A 64 7.930 -2.214 -24.221 1.00 0.68 C ATOM 974 CE2 TYR A 64 8.946 -0.239 -23.340 1.00 0.76 C ATOM 975 CZ TYR A 64 8.537 -0.996 -24.418 1.00 0.67 C ATOM 976 OH TYR A 64 8.736 -0.533 -25.698 1.00 0.81 O ATOM 0 H TYR A 64 5.901 -0.983 -19.208 1.00 0.40 H new ATOM 0 HA TYR A 64 6.058 -3.357 -20.973 1.00 0.34 H new ATOM 0 HB2 TYR A 64 8.263 -1.709 -19.717 1.00 0.36 H new ATOM 0 HB3 TYR A 64 8.501 -3.351 -20.282 1.00 0.36 H new ATOM 0 HD1 TYR A 64 7.258 -3.636 -22.788 1.00 0.59 H new ATOM 0 HD2 TYR A 64 9.066 -0.117 -21.214 1.00 0.66 H new ATOM 0 HE1 TYR A 64 7.609 -2.804 -25.067 1.00 0.68 H new ATOM 0 HE2 TYR A 64 9.422 0.718 -23.498 1.00 0.76 H new ATOM 0 HH TYR A 64 9.176 0.342 -25.665 1.00 0.81 H new ATOM 986 N SER A 65 5.958 -4.830 -18.992 1.00 0.32 N ATOM 987 CA SER A 65 5.760 -5.708 -17.846 1.00 0.34 C ATOM 988 C SER A 65 6.997 -5.751 -16.956 1.00 0.30 C ATOM 989 O SER A 65 6.888 -5.853 -15.731 1.00 0.35 O ATOM 990 CB SER A 65 5.404 -7.108 -18.341 1.00 0.40 C ATOM 991 OG SER A 65 4.701 -7.035 -19.573 1.00 0.63 O ATOM 0 H SER A 65 5.813 -5.283 -19.894 1.00 0.32 H new ATOM 0 HA SER A 65 4.942 -5.316 -17.242 1.00 0.34 H new ATOM 0 HB2 SER A 65 6.312 -7.697 -18.468 1.00 0.40 H new ATOM 0 HB3 SER A 65 4.794 -7.619 -17.597 1.00 0.40 H new ATOM 0 HG SER A 65 4.481 -7.940 -19.878 1.00 0.63 H new ATOM 997 N ALA A 66 8.167 -5.639 -17.573 1.00 0.26 N ATOM 998 CA ALA A 66 9.429 -5.658 -16.846 1.00 0.26 C ATOM 999 C ALA A 66 9.523 -4.484 -15.870 1.00 0.26 C ATOM 1000 O ALA A 66 10.073 -4.618 -14.781 1.00 0.32 O ATOM 1001 CB ALA A 66 10.599 -5.631 -17.818 1.00 0.26 C ATOM 0 H ALA A 66 8.267 -5.533 -18.583 1.00 0.26 H new ATOM 0 HA ALA A 66 9.471 -6.581 -16.268 1.00 0.26 H new ATOM 0 HB1 ALA A 66 11.536 -5.646 -17.261 1.00 0.26 H new ATOM 0 HB2 ALA A 66 10.551 -6.503 -18.470 1.00 0.26 H new ATOM 0 HB3 ALA A 66 10.550 -4.725 -18.421 1.00 0.26 H new ATOM 1007 N MET A 67 8.965 -3.340 -16.262 1.00 0.25 N ATOM 1008 CA MET A 67 8.992 -2.140 -15.426 1.00 0.30 C ATOM 1009 C MET A 67 8.101 -2.311 -14.204 1.00 0.30 C ATOM 1010 O MET A 67 8.423 -1.833 -13.114 1.00 0.34 O ATOM 1011 CB MET A 67 8.536 -0.913 -16.217 1.00 0.36 C ATOM 1012 CG MET A 67 9.585 -0.382 -17.176 1.00 0.50 C ATOM 1013 SD MET A 67 8.986 1.016 -18.145 1.00 0.63 S ATOM 1014 CE MET A 67 8.685 2.227 -16.856 1.00 0.69 C ATOM 0 H MET A 67 8.488 -3.218 -17.155 1.00 0.25 H new ATOM 0 HA MET A 67 10.021 -1.991 -15.100 1.00 0.30 H new ATOM 0 HB2 MET A 67 7.638 -1.167 -16.779 1.00 0.36 H new ATOM 0 HB3 MET A 67 8.262 -0.123 -15.518 1.00 0.36 H new ATOM 0 HG2 MET A 67 10.468 -0.079 -16.613 1.00 0.50 H new ATOM 0 HG3 MET A 67 9.895 -1.181 -17.849 1.00 0.50 H new ATOM 0 HE1 MET A 67 8.623 3.221 -17.298 1.00 0.69 H new ATOM 0 HE2 MET A 67 7.747 1.995 -16.351 1.00 0.69 H new ATOM 0 HE3 MET A 67 9.502 2.201 -16.135 1.00 0.69 H new ATOM 1024 N ARG A 68 6.986 -3.005 -14.394 1.00 0.31 N ATOM 1025 CA ARG A 68 6.042 -3.254 -13.312 1.00 0.36 C ATOM 1026 C ARG A 68 6.672 -4.155 -12.261 1.00 0.37 C ATOM 1027 O ARG A 68 6.568 -3.900 -11.064 1.00 0.41 O ATOM 1028 CB ARG A 68 4.770 -3.912 -13.852 1.00 0.43 C ATOM 1029 CG ARG A 68 3.771 -4.309 -12.771 1.00 0.55 C ATOM 1030 CD ARG A 68 2.889 -5.465 -13.227 1.00 0.62 C ATOM 1031 NE ARG A 68 3.678 -6.661 -13.533 1.00 0.64 N ATOM 1032 CZ ARG A 68 3.351 -7.558 -14.460 1.00 0.76 C ATOM 1033 NH1 ARG A 68 2.246 -7.412 -15.182 1.00 0.90 N ATOM 1034 NH2 ARG A 68 4.146 -8.600 -14.677 1.00 0.86 N ATOM 0 H ARG A 68 6.713 -3.407 -15.291 1.00 0.31 H new ATOM 0 HA ARG A 68 5.783 -2.298 -12.858 1.00 0.36 H new ATOM 0 HB2 ARG A 68 4.285 -3.226 -14.546 1.00 0.43 H new ATOM 0 HB3 ARG A 68 5.046 -4.800 -14.421 1.00 0.43 H new ATOM 0 HG2 ARG A 68 4.307 -4.593 -11.865 1.00 0.55 H new ATOM 0 HG3 ARG A 68 3.148 -3.452 -12.517 1.00 0.55 H new ATOM 0 HD2 ARG A 68 2.163 -5.698 -12.448 1.00 0.62 H new ATOM 0 HD3 ARG A 68 2.325 -5.166 -14.110 1.00 0.62 H new ATOM 0 HE ARG A 68 4.534 -6.816 -13.001 1.00 0.64 H new ATOM 0 HH11 ARG A 68 1.639 -6.607 -15.028 1.00 0.90 H new ATOM 0 HH12 ARG A 68 2.004 -8.105 -15.890 1.00 0.90 H new ATOM 0 HH21 ARG A 68 5.003 -8.710 -14.134 1.00 0.86 H new ATOM 0 HH22 ARG A 68 3.900 -9.290 -15.386 1.00 0.86 H new ATOM 1048 N ASP A 69 7.341 -5.202 -12.722 1.00 0.37 N ATOM 1049 CA ASP A 69 7.987 -6.151 -11.823 1.00 0.42 C ATOM 1050 C ASP A 69 9.330 -5.611 -11.345 1.00 0.36 C ATOM 1051 O ASP A 69 9.945 -6.158 -10.427 1.00 0.42 O ATOM 1052 CB ASP A 69 8.179 -7.502 -12.527 1.00 0.58 C ATOM 1053 CG ASP A 69 6.867 -8.159 -12.920 1.00 0.78 C ATOM 1054 OD1 ASP A 69 5.811 -7.799 -12.353 1.00 0.94 O ATOM 1055 OD2 ASP A 69 6.880 -9.037 -13.811 1.00 1.41 O ATOM 0 H ASP A 69 7.451 -5.417 -13.713 1.00 0.37 H new ATOM 0 HA ASP A 69 7.345 -6.294 -10.954 1.00 0.42 H new ATOM 0 HB2 ASP A 69 8.788 -7.357 -13.419 1.00 0.58 H new ATOM 0 HB3 ASP A 69 8.732 -8.173 -11.869 1.00 0.58 H new ATOM 1060 N GLN A 70 9.771 -4.520 -11.963 1.00 0.32 N ATOM 1061 CA GLN A 70 11.042 -3.896 -11.620 1.00 0.31 C ATOM 1062 C GLN A 70 10.991 -3.312 -10.217 1.00 0.26 C ATOM 1063 O GLN A 70 11.763 -3.714 -9.349 1.00 0.33 O ATOM 1064 CB GLN A 70 11.392 -2.802 -12.630 1.00 0.34 C ATOM 1065 CG GLN A 70 12.735 -2.136 -12.381 1.00 0.43 C ATOM 1066 CD GLN A 70 13.120 -1.178 -13.490 1.00 0.96 C ATOM 1067 OE1 GLN A 70 13.750 -1.565 -14.475 1.00 1.51 O ATOM 1068 NE2 GLN A 70 12.743 0.081 -13.332 1.00 1.30 N ATOM 0 H GLN A 70 9.261 -4.047 -12.710 1.00 0.32 H new ATOM 0 HA GLN A 70 11.816 -4.663 -11.651 1.00 0.31 H new ATOM 0 HB2 GLN A 70 11.392 -3.233 -13.631 1.00 0.34 H new ATOM 0 HB3 GLN A 70 10.612 -2.041 -12.611 1.00 0.34 H new ATOM 0 HG2 GLN A 70 12.700 -1.596 -11.435 1.00 0.43 H new ATOM 0 HG3 GLN A 70 13.504 -2.902 -12.283 1.00 0.43 H new ATOM 0 HE21 GLN A 70 12.222 0.357 -12.499 1.00 1.30 H new ATOM 0 HE22 GLN A 70 12.973 0.775 -14.043 1.00 1.30 H new ATOM 1077 N TYR A 71 10.047 -2.394 -9.990 1.00 0.23 N ATOM 1078 CA TYR A 71 9.911 -1.744 -8.684 1.00 0.27 C ATOM 1079 C TYR A 71 9.461 -2.734 -7.616 1.00 0.24 C ATOM 1080 O TYR A 71 9.595 -2.480 -6.419 1.00 0.29 O ATOM 1081 CB TYR A 71 8.949 -0.543 -8.750 1.00 0.37 C ATOM 1082 CG TYR A 71 7.520 -0.876 -9.125 1.00 0.44 C ATOM 1083 CD1 TYR A 71 6.647 -1.462 -8.212 1.00 0.53 C ATOM 1084 CD2 TYR A 71 7.039 -0.587 -10.391 1.00 0.67 C ATOM 1085 CE1 TYR A 71 5.343 -1.750 -8.553 1.00 0.77 C ATOM 1086 CE2 TYR A 71 5.734 -0.869 -10.741 1.00 0.86 C ATOM 1087 CZ TYR A 71 4.890 -1.450 -9.819 1.00 0.90 C ATOM 1088 OH TYR A 71 3.591 -1.740 -10.166 1.00 1.17 O ATOM 0 H TYR A 71 9.370 -2.086 -10.688 1.00 0.23 H new ATOM 0 HA TYR A 71 10.896 -1.371 -8.406 1.00 0.27 H new ATOM 0 HB2 TYR A 71 8.946 -0.048 -7.779 1.00 0.37 H new ATOM 0 HB3 TYR A 71 9.339 0.174 -9.473 1.00 0.37 H new ATOM 0 HD1 TYR A 71 6.998 -1.695 -7.218 1.00 0.53 H new ATOM 0 HD2 TYR A 71 7.697 -0.133 -11.117 1.00 0.67 H new ATOM 0 HE1 TYR A 71 4.681 -2.208 -7.833 1.00 0.77 H new ATOM 0 HE2 TYR A 71 5.376 -0.635 -11.733 1.00 0.86 H new ATOM 0 HH TYR A 71 3.431 -1.465 -11.093 1.00 1.17 H new ATOM 1098 N MET A 72 8.925 -3.862 -8.057 1.00 0.24 N ATOM 1099 CA MET A 72 8.471 -4.891 -7.135 1.00 0.28 C ATOM 1100 C MET A 72 9.659 -5.534 -6.441 1.00 0.31 C ATOM 1101 O MET A 72 9.545 -6.033 -5.326 1.00 0.44 O ATOM 1102 CB MET A 72 7.648 -5.964 -7.848 1.00 0.36 C ATOM 1103 CG MET A 72 6.270 -5.486 -8.261 1.00 0.39 C ATOM 1104 SD MET A 72 5.181 -6.833 -8.771 1.00 0.51 S ATOM 1105 CE MET A 72 3.647 -5.948 -9.058 1.00 0.70 C ATOM 0 H MET A 72 8.794 -4.087 -9.043 1.00 0.24 H new ATOM 0 HA MET A 72 7.831 -4.410 -6.395 1.00 0.28 H new ATOM 0 HB2 MET A 72 8.189 -6.299 -8.733 1.00 0.36 H new ATOM 0 HB3 MET A 72 7.544 -6.828 -7.192 1.00 0.36 H new ATOM 0 HG2 MET A 72 5.812 -4.951 -7.429 1.00 0.39 H new ATOM 0 HG3 MET A 72 6.369 -4.775 -9.081 1.00 0.39 H new ATOM 0 HE1 MET A 72 2.963 -6.580 -9.624 1.00 0.70 H new ATOM 0 HE2 MET A 72 3.193 -5.687 -8.102 1.00 0.70 H new ATOM 0 HE3 MET A 72 3.852 -5.038 -9.623 1.00 0.70 H new ATOM 1115 N ARG A 73 10.806 -5.513 -7.109 1.00 0.25 N ATOM 1116 CA ARG A 73 12.026 -6.091 -6.561 1.00 0.30 C ATOM 1117 C ARG A 73 12.731 -5.084 -5.659 1.00 0.27 C ATOM 1118 O ARG A 73 13.210 -5.429 -4.575 1.00 0.34 O ATOM 1119 CB ARG A 73 12.973 -6.518 -7.686 1.00 0.37 C ATOM 1120 CG ARG A 73 12.321 -7.394 -8.743 1.00 0.45 C ATOM 1121 CD ARG A 73 13.284 -7.734 -9.867 1.00 0.50 C ATOM 1122 NE ARG A 73 13.853 -6.540 -10.491 1.00 0.80 N ATOM 1123 CZ ARG A 73 14.771 -6.577 -11.458 1.00 0.81 C ATOM 1124 NH1 ARG A 73 15.216 -7.744 -11.904 1.00 1.19 N ATOM 1125 NH2 ARG A 73 15.243 -5.449 -11.970 1.00 1.29 N ATOM 0 H ARG A 73 10.916 -5.100 -8.035 1.00 0.25 H new ATOM 0 HA ARG A 73 11.751 -6.969 -5.976 1.00 0.30 H new ATOM 0 HB2 ARG A 73 13.376 -5.626 -8.166 1.00 0.37 H new ATOM 0 HB3 ARG A 73 13.816 -7.056 -7.253 1.00 0.37 H new ATOM 0 HG2 ARG A 73 11.962 -8.314 -8.282 1.00 0.45 H new ATOM 0 HG3 ARG A 73 11.450 -6.882 -9.153 1.00 0.45 H new ATOM 0 HD2 ARG A 73 14.089 -8.356 -9.477 1.00 0.50 H new ATOM 0 HD3 ARG A 73 12.764 -8.323 -10.622 1.00 0.50 H new ATOM 0 HE ARG A 73 13.530 -5.628 -10.169 1.00 0.80 H new ATOM 0 HH11 ARG A 73 14.856 -8.612 -11.508 1.00 1.19 H new ATOM 0 HH12 ARG A 73 15.918 -7.773 -12.643 1.00 1.19 H new ATOM 0 HH21 ARG A 73 14.904 -4.551 -11.625 1.00 1.29 H new ATOM 0 HH22 ARG A 73 15.945 -5.479 -12.709 1.00 1.29 H new ATOM 1139 N THR A 74 12.786 -3.837 -6.117 1.00 0.23 N ATOM 1140 CA THR A 74 13.435 -2.763 -5.378 1.00 0.23 C ATOM 1141 C THR A 74 12.614 -2.333 -4.163 1.00 0.20 C ATOM 1142 O THR A 74 13.163 -1.848 -3.173 1.00 0.24 O ATOM 1143 CB THR A 74 13.660 -1.550 -6.294 1.00 0.26 C ATOM 1144 OG1 THR A 74 13.011 -1.775 -7.553 1.00 0.64 O ATOM 1145 CG2 THR A 74 15.144 -1.311 -6.518 1.00 0.72 C ATOM 0 H THR A 74 12.383 -3.545 -7.007 1.00 0.23 H new ATOM 0 HA THR A 74 14.393 -3.145 -5.025 1.00 0.23 H new ATOM 0 HB THR A 74 13.238 -0.667 -5.814 1.00 0.26 H new ATOM 0 HG1 THR A 74 13.153 -1.001 -8.137 1.00 0.64 H new ATOM 0 HG21 THR A 74 15.279 -0.448 -7.169 1.00 0.72 H new ATOM 0 HG22 THR A 74 15.631 -1.123 -5.561 1.00 0.72 H new ATOM 0 HG23 THR A 74 15.588 -2.190 -6.985 1.00 0.72 H new ATOM 1153 N GLY A 75 11.304 -2.517 -4.242 1.00 0.17 N ATOM 1154 CA GLY A 75 10.430 -2.137 -3.149 1.00 0.16 C ATOM 1155 C GLY A 75 10.695 -2.933 -1.883 1.00 0.14 C ATOM 1156 O GLY A 75 10.939 -4.145 -1.942 1.00 0.19 O ATOM 0 H GLY A 75 10.828 -2.924 -5.047 1.00 0.17 H new ATOM 0 HA2 GLY A 75 10.558 -1.075 -2.939 1.00 0.16 H new ATOM 0 HA3 GLY A 75 9.393 -2.279 -3.452 1.00 0.16 H new ATOM 1160 N GLU A 76 10.649 -2.257 -0.738 1.00 0.16 N ATOM 1161 CA GLU A 76 10.895 -2.900 0.547 1.00 0.20 C ATOM 1162 C GLU A 76 9.586 -3.358 1.188 1.00 0.23 C ATOM 1163 O GLU A 76 9.439 -4.523 1.557 1.00 0.34 O ATOM 1164 CB GLU A 76 11.641 -1.947 1.487 1.00 0.26 C ATOM 1165 CG GLU A 76 13.009 -1.526 0.968 1.00 0.30 C ATOM 1166 CD GLU A 76 13.788 -0.689 1.963 1.00 0.34 C ATOM 1167 OE1 GLU A 76 13.831 0.550 1.794 1.00 0.43 O ATOM 1168 OE2 GLU A 76 14.374 -1.263 2.911 1.00 0.54 O ATOM 0 H GLU A 76 10.443 -1.260 -0.675 1.00 0.16 H new ATOM 0 HA GLU A 76 11.515 -3.779 0.373 1.00 0.20 H new ATOM 0 HB2 GLU A 76 11.032 -1.057 1.646 1.00 0.26 H new ATOM 0 HB3 GLU A 76 11.762 -2.428 2.457 1.00 0.26 H new ATOM 0 HG2 GLU A 76 13.587 -2.416 0.719 1.00 0.30 H new ATOM 0 HG3 GLU A 76 12.883 -0.960 0.045 1.00 0.30 H new ATOM 1175 N GLY A 77 8.641 -2.437 1.322 1.00 0.21 N ATOM 1176 CA GLY A 77 7.360 -2.770 1.920 1.00 0.23 C ATOM 1177 C GLY A 77 6.210 -2.462 0.989 1.00 0.17 C ATOM 1178 O GLY A 77 6.210 -1.424 0.325 1.00 0.26 O ATOM 0 H GLY A 77 8.737 -1.465 1.028 1.00 0.21 H new ATOM 0 HA2 GLY A 77 7.344 -3.828 2.180 1.00 0.23 H new ATOM 0 HA3 GLY A 77 7.236 -2.212 2.848 1.00 0.23 H new ATOM 1182 N PHE A 78 5.231 -3.352 0.929 1.00 0.11 N ATOM 1183 CA PHE A 78 4.086 -3.161 0.051 1.00 0.17 C ATOM 1184 C PHE A 78 2.796 -3.064 0.849 1.00 0.17 C ATOM 1185 O PHE A 78 2.559 -3.842 1.777 1.00 0.20 O ATOM 1186 CB PHE A 78 3.993 -4.302 -0.964 1.00 0.24 C ATOM 1187 CG PHE A 78 5.119 -4.310 -1.958 1.00 0.28 C ATOM 1188 CD1 PHE A 78 6.350 -4.859 -1.625 1.00 0.29 C ATOM 1189 CD2 PHE A 78 4.950 -3.765 -3.225 1.00 0.43 C ATOM 1190 CE1 PHE A 78 7.386 -4.866 -2.532 1.00 0.35 C ATOM 1191 CE2 PHE A 78 5.986 -3.772 -4.136 1.00 0.48 C ATOM 1192 CZ PHE A 78 7.203 -4.322 -3.788 1.00 0.40 C ATOM 0 H PHE A 78 5.206 -4.212 1.477 1.00 0.11 H new ATOM 0 HA PHE A 78 4.228 -2.223 -0.485 1.00 0.17 H new ATOM 0 HB2 PHE A 78 3.982 -5.253 -0.431 1.00 0.24 H new ATOM 0 HB3 PHE A 78 3.046 -4.226 -1.499 1.00 0.24 H new ATOM 0 HD1 PHE A 78 6.497 -5.285 -0.644 1.00 0.29 H new ATOM 0 HD2 PHE A 78 3.999 -3.332 -3.499 1.00 0.43 H new ATOM 0 HE1 PHE A 78 8.339 -5.296 -2.262 1.00 0.35 H new ATOM 0 HE2 PHE A 78 5.845 -3.348 -5.119 1.00 0.48 H new ATOM 0 HZ PHE A 78 8.015 -4.327 -4.500 1.00 0.40 H new ATOM 1202 N LEU A 79 1.971 -2.101 0.488 1.00 0.19 N ATOM 1203 CA LEU A 79 0.701 -1.893 1.162 1.00 0.20 C ATOM 1204 C LEU A 79 -0.431 -2.464 0.320 1.00 0.21 C ATOM 1205 O LEU A 79 -0.704 -1.978 -0.778 1.00 0.24 O ATOM 1206 CB LEU A 79 0.473 -0.403 1.431 1.00 0.23 C ATOM 1207 CG LEU A 79 -0.498 -0.089 2.570 1.00 0.26 C ATOM 1208 CD1 LEU A 79 0.043 -0.614 3.889 1.00 0.37 C ATOM 1209 CD2 LEU A 79 -0.747 1.407 2.650 1.00 0.27 C ATOM 0 H LEU A 79 2.157 -1.446 -0.272 1.00 0.19 H new ATOM 0 HA LEU A 79 0.722 -2.411 2.121 1.00 0.20 H new ATOM 0 HB2 LEU A 79 1.434 0.061 1.655 1.00 0.23 H new ATOM 0 HB3 LEU A 79 0.100 0.062 0.518 1.00 0.23 H new ATOM 0 HG LEU A 79 -1.446 -0.587 2.368 1.00 0.26 H new ATOM 0 HD11 LEU A 79 -0.660 -0.382 4.689 1.00 0.37 H new ATOM 0 HD12 LEU A 79 0.175 -1.694 3.824 1.00 0.37 H new ATOM 0 HD13 LEU A 79 1.003 -0.143 4.102 1.00 0.37 H new ATOM 0 HD21 LEU A 79 -1.440 1.617 3.465 1.00 0.27 H new ATOM 0 HD22 LEU A 79 0.195 1.923 2.832 1.00 0.27 H new ATOM 0 HD23 LEU A 79 -1.176 1.755 1.710 1.00 0.27 H new ATOM 1221 N CYS A 80 -1.072 -3.503 0.835 1.00 0.21 N ATOM 1222 CA CYS A 80 -2.167 -4.154 0.132 1.00 0.25 C ATOM 1223 C CYS A 80 -3.497 -3.501 0.490 1.00 0.24 C ATOM 1224 O CYS A 80 -4.167 -3.905 1.442 1.00 0.28 O ATOM 1225 CB CYS A 80 -2.199 -5.644 0.476 1.00 0.31 C ATOM 1226 SG CYS A 80 -0.564 -6.400 0.616 1.00 0.61 S ATOM 0 H CYS A 80 -0.851 -3.915 1.742 1.00 0.21 H new ATOM 0 HA CYS A 80 -2.007 -4.042 -0.940 1.00 0.25 H new ATOM 0 HB2 CYS A 80 -2.732 -5.778 1.417 1.00 0.31 H new ATOM 0 HB3 CYS A 80 -2.768 -6.171 -0.290 1.00 0.31 H new ATOM 0 HG CYS A 80 -0.692 -7.660 0.911 1.00 0.61 H new ATOM 1232 N VAL A 81 -3.869 -2.484 -0.273 1.00 0.29 N ATOM 1233 CA VAL A 81 -5.108 -1.762 -0.032 1.00 0.33 C ATOM 1234 C VAL A 81 -6.229 -2.278 -0.926 1.00 0.30 C ATOM 1235 O VAL A 81 -6.055 -2.417 -2.138 1.00 0.36 O ATOM 1236 CB VAL A 81 -4.934 -0.245 -0.270 1.00 0.44 C ATOM 1237 CG1 VAL A 81 -6.137 0.525 0.258 1.00 0.59 C ATOM 1238 CG2 VAL A 81 -3.641 0.258 0.363 1.00 0.42 C ATOM 0 H VAL A 81 -3.328 -2.140 -1.066 1.00 0.29 H new ATOM 0 HA VAL A 81 -5.372 -1.931 1.012 1.00 0.33 H new ATOM 0 HB VAL A 81 -4.870 -0.074 -1.345 1.00 0.44 H new ATOM 0 HG11 VAL A 81 -5.993 1.591 0.080 1.00 0.59 H new ATOM 0 HG12 VAL A 81 -7.038 0.189 -0.256 1.00 0.59 H new ATOM 0 HG13 VAL A 81 -6.242 0.347 1.328 1.00 0.59 H new ATOM 0 HG21 VAL A 81 -3.540 1.328 0.183 1.00 0.42 H new ATOM 0 HG22 VAL A 81 -3.665 0.072 1.437 1.00 0.42 H new ATOM 0 HG23 VAL A 81 -2.793 -0.266 -0.077 1.00 0.42 H new ATOM 1248 N PHE A 82 -7.367 -2.583 -0.317 1.00 0.26 N ATOM 1249 CA PHE A 82 -8.533 -3.056 -1.045 1.00 0.26 C ATOM 1250 C PHE A 82 -9.752 -2.235 -0.628 1.00 0.25 C ATOM 1251 O PHE A 82 -9.642 -1.337 0.214 1.00 0.25 O ATOM 1252 CB PHE A 82 -8.771 -4.557 -0.795 1.00 0.28 C ATOM 1253 CG PHE A 82 -9.304 -4.897 0.574 1.00 0.27 C ATOM 1254 CD1 PHE A 82 -8.455 -4.987 1.662 1.00 0.31 C ATOM 1255 CD2 PHE A 82 -10.656 -5.133 0.764 1.00 0.30 C ATOM 1256 CE1 PHE A 82 -8.944 -5.303 2.918 1.00 0.34 C ATOM 1257 CE2 PHE A 82 -11.152 -5.451 2.013 1.00 0.30 C ATOM 1258 CZ PHE A 82 -10.296 -5.536 3.093 1.00 0.30 C ATOM 0 H PHE A 82 -7.506 -2.509 0.691 1.00 0.26 H new ATOM 0 HA PHE A 82 -8.361 -2.928 -2.114 1.00 0.26 H new ATOM 0 HB2 PHE A 82 -9.471 -4.928 -1.544 1.00 0.28 H new ATOM 0 HB3 PHE A 82 -7.831 -5.089 -0.945 1.00 0.28 H new ATOM 0 HD1 PHE A 82 -7.398 -4.809 1.530 1.00 0.31 H new ATOM 0 HD2 PHE A 82 -11.331 -5.067 -0.076 1.00 0.30 H new ATOM 0 HE1 PHE A 82 -8.271 -5.367 3.760 1.00 0.34 H new ATOM 0 HE2 PHE A 82 -12.208 -5.633 2.145 1.00 0.30 H new ATOM 0 HZ PHE A 82 -10.681 -5.784 4.071 1.00 0.30 H new ATOM 1268 N ALA A 83 -10.905 -2.523 -1.209 1.00 0.28 N ATOM 1269 CA ALA A 83 -12.118 -1.800 -0.863 1.00 0.27 C ATOM 1270 C ALA A 83 -13.097 -2.716 -0.153 1.00 0.28 C ATOM 1271 O ALA A 83 -13.385 -3.818 -0.624 1.00 0.31 O ATOM 1272 CB ALA A 83 -12.758 -1.200 -2.101 1.00 0.32 C ATOM 0 H ALA A 83 -11.027 -3.247 -1.917 1.00 0.28 H new ATOM 0 HA ALA A 83 -11.850 -0.987 -0.188 1.00 0.27 H new ATOM 0 HB1 ALA A 83 -13.664 -0.664 -1.819 1.00 0.32 H new ATOM 0 HB2 ALA A 83 -12.060 -0.509 -2.573 1.00 0.32 H new ATOM 0 HB3 ALA A 83 -13.011 -1.996 -2.802 1.00 0.32 H new ATOM 1278 N ILE A 84 -13.615 -2.253 0.977 1.00 0.28 N ATOM 1279 CA ILE A 84 -14.562 -3.037 1.765 1.00 0.31 C ATOM 1280 C ILE A 84 -15.886 -3.228 1.023 1.00 0.31 C ATOM 1281 O ILE A 84 -16.658 -4.132 1.344 1.00 0.33 O ATOM 1282 CB ILE A 84 -14.837 -2.393 3.143 1.00 0.37 C ATOM 1283 CG1 ILE A 84 -15.476 -1.018 2.977 1.00 0.54 C ATOM 1284 CG2 ILE A 84 -13.553 -2.288 3.950 1.00 0.53 C ATOM 1285 CD1 ILE A 84 -16.549 -0.721 4.002 1.00 0.78 C ATOM 0 H ILE A 84 -13.396 -1.338 1.370 1.00 0.28 H new ATOM 0 HA ILE A 84 -14.098 -4.011 1.922 1.00 0.31 H new ATOM 0 HB ILE A 84 -15.534 -3.032 3.685 1.00 0.37 H new ATOM 0 HG12 ILE A 84 -14.700 -0.255 3.044 1.00 0.54 H new ATOM 0 HG13 ILE A 84 -15.908 -0.946 1.979 1.00 0.54 H new ATOM 0 HG21 ILE A 84 -13.767 -1.832 4.917 1.00 0.53 H new ATOM 0 HG22 ILE A 84 -13.137 -3.284 4.103 1.00 0.53 H new ATOM 0 HG23 ILE A 84 -12.833 -1.673 3.410 1.00 0.53 H new ATOM 0 HD11 ILE A 84 -16.958 0.273 3.822 1.00 0.78 H new ATOM 0 HD12 ILE A 84 -17.345 -1.461 3.921 1.00 0.78 H new ATOM 0 HD13 ILE A 84 -16.118 -0.760 5.002 1.00 0.78 H new ATOM 1297 N ASN A 85 -16.143 -2.383 0.032 1.00 0.33 N ATOM 1298 CA ASN A 85 -17.374 -2.464 -0.748 1.00 0.38 C ATOM 1299 C ASN A 85 -17.103 -3.060 -2.132 1.00 0.36 C ATOM 1300 O ASN A 85 -17.928 -2.957 -3.044 1.00 0.48 O ATOM 1301 CB ASN A 85 -18.023 -1.079 -0.879 1.00 0.51 C ATOM 1302 CG ASN A 85 -17.287 -0.151 -1.835 1.00 0.62 C ATOM 1303 OD1 ASN A 85 -16.067 -0.226 -1.994 1.00 0.68 O ATOM 1304 ND2 ASN A 85 -18.027 0.741 -2.474 1.00 0.82 N ATOM 0 H ASN A 85 -15.514 -1.632 -0.252 1.00 0.33 H new ATOM 0 HA ASN A 85 -18.066 -3.122 -0.222 1.00 0.38 H new ATOM 0 HB2 ASN A 85 -19.051 -1.199 -1.221 1.00 0.51 H new ATOM 0 HB3 ASN A 85 -18.067 -0.613 0.105 1.00 0.51 H new ATOM 0 HD21 ASN A 85 -17.590 1.395 -3.123 1.00 0.82 H new ATOM 0 HD22 ASN A 85 -19.034 0.774 -2.318 1.00 0.82 H new ATOM 1311 N ASN A 86 -15.939 -3.684 -2.280 1.00 0.34 N ATOM 1312 CA ASN A 86 -15.559 -4.302 -3.546 1.00 0.39 C ATOM 1313 C ASN A 86 -14.849 -5.629 -3.293 1.00 0.33 C ATOM 1314 O ASN A 86 -13.630 -5.671 -3.104 1.00 0.33 O ATOM 1315 CB ASN A 86 -14.650 -3.366 -4.354 1.00 0.53 C ATOM 1316 CG ASN A 86 -14.514 -3.778 -5.811 1.00 0.64 C ATOM 1317 OD1 ASN A 86 -14.687 -4.942 -6.162 1.00 1.07 O ATOM 1318 ND2 ASN A 86 -14.181 -2.827 -6.668 1.00 0.98 N ATOM 0 H ASN A 86 -15.243 -3.775 -1.540 1.00 0.34 H new ATOM 0 HA ASN A 86 -16.465 -4.488 -4.122 1.00 0.39 H new ATOM 0 HB2 ASN A 86 -15.047 -2.352 -4.305 1.00 0.53 H new ATOM 0 HB3 ASN A 86 -13.662 -3.344 -3.895 1.00 0.53 H new ATOM 0 HD21 ASN A 86 -14.060 -3.050 -7.656 1.00 0.98 H new ATOM 0 HD22 ASN A 86 -14.045 -1.870 -6.341 1.00 0.98 H new ATOM 1325 N THR A 87 -15.611 -6.711 -3.289 1.00 0.33 N ATOM 1326 CA THR A 87 -15.064 -8.037 -3.052 1.00 0.32 C ATOM 1327 C THR A 87 -14.082 -8.438 -4.151 1.00 0.30 C ATOM 1328 O THR A 87 -13.179 -9.241 -3.923 1.00 0.30 O ATOM 1329 CB THR A 87 -16.194 -9.072 -2.958 1.00 0.38 C ATOM 1330 OG1 THR A 87 -17.457 -8.399 -3.053 1.00 0.65 O ATOM 1331 CG2 THR A 87 -16.116 -9.834 -1.643 1.00 0.57 C ATOM 0 H THR A 87 -16.618 -6.696 -3.449 1.00 0.33 H new ATOM 0 HA THR A 87 -14.523 -8.009 -2.106 1.00 0.32 H new ATOM 0 HB THR A 87 -16.090 -9.785 -3.776 1.00 0.38 H new ATOM 0 HG1 THR A 87 -18.183 -9.055 -2.995 1.00 0.65 H new ATOM 0 HG21 THR A 87 -16.925 -10.562 -1.596 1.00 0.57 H new ATOM 0 HG22 THR A 87 -15.158 -10.351 -1.578 1.00 0.57 H new ATOM 0 HG23 THR A 87 -16.208 -9.135 -0.812 1.00 0.57 H new ATOM 1339 N LYS A 88 -14.247 -7.859 -5.337 1.00 0.33 N ATOM 1340 CA LYS A 88 -13.364 -8.164 -6.457 1.00 0.35 C ATOM 1341 C LYS A 88 -11.956 -7.635 -6.187 1.00 0.30 C ATOM 1342 O LYS A 88 -10.967 -8.230 -6.621 1.00 0.36 O ATOM 1343 CB LYS A 88 -13.925 -7.579 -7.753 1.00 0.42 C ATOM 1344 CG LYS A 88 -13.134 -7.958 -9.000 1.00 0.49 C ATOM 1345 CD LYS A 88 -12.948 -9.462 -9.116 1.00 0.71 C ATOM 1346 CE LYS A 88 -12.530 -9.866 -10.523 1.00 0.89 C ATOM 1347 NZ LYS A 88 -13.634 -9.684 -11.505 1.00 0.82 N ATOM 0 H LYS A 88 -14.979 -7.180 -5.546 1.00 0.33 H new ATOM 0 HA LYS A 88 -13.305 -9.247 -6.569 1.00 0.35 H new ATOM 0 HB2 LYS A 88 -14.955 -7.913 -7.874 1.00 0.42 H new ATOM 0 HB3 LYS A 88 -13.950 -6.493 -7.668 1.00 0.42 H new ATOM 0 HG2 LYS A 88 -13.651 -7.587 -9.885 1.00 0.49 H new ATOM 0 HG3 LYS A 88 -12.159 -7.472 -8.973 1.00 0.49 H new ATOM 0 HD2 LYS A 88 -12.193 -9.792 -8.402 1.00 0.71 H new ATOM 0 HD3 LYS A 88 -13.878 -9.966 -8.853 1.00 0.71 H new ATOM 0 HE2 LYS A 88 -11.669 -9.272 -10.830 1.00 0.89 H new ATOM 0 HE3 LYS A 88 -12.213 -10.909 -10.522 1.00 0.89 H new ATOM 0 HZ1 LYS A 88 -13.439 -10.251 -12.355 1.00 0.82 H new ATOM 0 HZ2 LYS A 88 -14.531 -9.994 -11.080 1.00 0.82 H new ATOM 0 HZ3 LYS A 88 -13.704 -8.680 -11.767 1.00 0.82 H new ATOM 1361 N SER A 89 -11.867 -6.518 -5.465 1.00 0.27 N ATOM 1362 CA SER A 89 -10.573 -5.942 -5.122 1.00 0.27 C ATOM 1363 C SER A 89 -9.903 -6.819 -4.070 1.00 0.25 C ATOM 1364 O SER A 89 -8.678 -6.943 -4.028 1.00 0.32 O ATOM 1365 CB SER A 89 -10.718 -4.491 -4.622 1.00 0.33 C ATOM 1366 OG SER A 89 -11.311 -4.425 -3.332 1.00 0.64 O ATOM 0 H SER A 89 -12.671 -6.000 -5.110 1.00 0.27 H new ATOM 0 HA SER A 89 -9.950 -5.909 -6.016 1.00 0.27 H new ATOM 0 HB2 SER A 89 -9.736 -4.018 -4.593 1.00 0.33 H new ATOM 0 HB3 SER A 89 -11.324 -3.924 -5.328 1.00 0.33 H new ATOM 0 HG SER A 89 -12.147 -4.936 -3.330 1.00 0.64 H new ATOM 1372 N PHE A 90 -10.731 -7.458 -3.247 1.00 0.24 N ATOM 1373 CA PHE A 90 -10.254 -8.353 -2.206 1.00 0.25 C ATOM 1374 C PHE A 90 -9.671 -9.616 -2.842 1.00 0.27 C ATOM 1375 O PHE A 90 -8.746 -10.231 -2.309 1.00 0.28 O ATOM 1376 CB PHE A 90 -11.410 -8.694 -1.260 1.00 0.29 C ATOM 1377 CG PHE A 90 -11.015 -9.507 -0.061 1.00 0.29 C ATOM 1378 CD1 PHE A 90 -10.112 -9.013 0.864 1.00 0.26 C ATOM 1379 CD2 PHE A 90 -11.557 -10.765 0.143 1.00 0.38 C ATOM 1380 CE1 PHE A 90 -9.755 -9.758 1.970 1.00 0.31 C ATOM 1381 CE2 PHE A 90 -11.202 -11.515 1.246 1.00 0.42 C ATOM 1382 CZ PHE A 90 -10.301 -11.012 2.161 1.00 0.39 C ATOM 0 H PHE A 90 -11.746 -7.368 -3.286 1.00 0.24 H new ATOM 0 HA PHE A 90 -9.467 -7.868 -1.629 1.00 0.25 H new ATOM 0 HB2 PHE A 90 -11.869 -7.766 -0.919 1.00 0.29 H new ATOM 0 HB3 PHE A 90 -12.171 -9.240 -1.818 1.00 0.29 H new ATOM 0 HD1 PHE A 90 -9.682 -8.033 0.719 1.00 0.26 H new ATOM 0 HD2 PHE A 90 -12.265 -11.163 -0.569 1.00 0.38 H new ATOM 0 HE1 PHE A 90 -9.050 -9.361 2.685 1.00 0.31 H new ATOM 0 HE2 PHE A 90 -11.630 -12.496 1.393 1.00 0.42 H new ATOM 0 HZ PHE A 90 -10.023 -11.597 3.025 1.00 0.39 H new ATOM 1392 N GLU A 91 -10.209 -9.979 -4.002 1.00 0.32 N ATOM 1393 CA GLU A 91 -9.755 -11.149 -4.737 1.00 0.40 C ATOM 1394 C GLU A 91 -8.371 -10.895 -5.323 1.00 0.39 C ATOM 1395 O GLU A 91 -7.508 -11.781 -5.325 1.00 0.49 O ATOM 1396 CB GLU A 91 -10.733 -11.487 -5.867 1.00 0.51 C ATOM 1397 CG GLU A 91 -12.048 -12.076 -5.390 1.00 0.59 C ATOM 1398 CD GLU A 91 -11.869 -13.413 -4.708 1.00 0.75 C ATOM 1399 OE1 GLU A 91 -12.745 -13.793 -3.904 1.00 1.44 O ATOM 1400 OE2 GLU A 91 -10.857 -14.097 -4.981 1.00 1.09 O ATOM 0 H GLU A 91 -10.969 -9.471 -4.455 1.00 0.32 H new ATOM 0 HA GLU A 91 -9.707 -11.990 -4.046 1.00 0.40 H new ATOM 0 HB2 GLU A 91 -10.938 -10.582 -6.439 1.00 0.51 H new ATOM 0 HB3 GLU A 91 -10.256 -12.193 -6.547 1.00 0.51 H new ATOM 0 HG2 GLU A 91 -12.525 -11.380 -4.700 1.00 0.59 H new ATOM 0 HG3 GLU A 91 -12.720 -12.192 -6.240 1.00 0.59 H new ATOM 1407 N ASP A 92 -8.163 -9.666 -5.794 1.00 0.35 N ATOM 1408 CA ASP A 92 -6.888 -9.272 -6.395 1.00 0.37 C ATOM 1409 C ASP A 92 -5.776 -9.332 -5.359 1.00 0.31 C ATOM 1410 O ASP A 92 -4.617 -9.584 -5.690 1.00 0.31 O ATOM 1411 CB ASP A 92 -6.979 -7.864 -6.996 1.00 0.43 C ATOM 1412 CG ASP A 92 -6.410 -7.814 -8.400 1.00 0.53 C ATOM 1413 OD1 ASP A 92 -5.336 -7.208 -8.598 1.00 1.02 O ATOM 1414 OD2 ASP A 92 -7.044 -8.385 -9.317 1.00 0.99 O ATOM 0 H ASP A 92 -8.862 -8.924 -5.771 1.00 0.35 H new ATOM 0 HA ASP A 92 -6.659 -9.972 -7.199 1.00 0.37 H new ATOM 0 HB2 ASP A 92 -8.021 -7.543 -7.014 1.00 0.43 H new ATOM 0 HB3 ASP A 92 -6.440 -7.162 -6.360 1.00 0.43 H new ATOM 1419 N ILE A 93 -6.150 -9.116 -4.099 1.00 0.28 N ATOM 1420 CA ILE A 93 -5.210 -9.159 -2.981 1.00 0.25 C ATOM 1421 C ILE A 93 -4.489 -10.507 -2.943 1.00 0.24 C ATOM 1422 O ILE A 93 -3.297 -10.578 -2.640 1.00 0.25 O ATOM 1423 CB ILE A 93 -5.940 -8.926 -1.635 1.00 0.29 C ATOM 1424 CG1 ILE A 93 -6.515 -7.505 -1.576 1.00 0.32 C ATOM 1425 CG2 ILE A 93 -5.007 -9.177 -0.455 1.00 0.35 C ATOM 1426 CD1 ILE A 93 -5.467 -6.423 -1.431 1.00 0.42 C ATOM 0 H ILE A 93 -7.110 -8.907 -3.825 1.00 0.28 H new ATOM 0 HA ILE A 93 -4.480 -8.363 -3.127 1.00 0.25 H new ATOM 0 HB ILE A 93 -6.764 -9.637 -1.569 1.00 0.29 H new ATOM 0 HG12 ILE A 93 -7.091 -7.319 -2.482 1.00 0.32 H new ATOM 0 HG13 ILE A 93 -7.209 -7.439 -0.738 1.00 0.32 H new ATOM 0 HG21 ILE A 93 -5.545 -9.006 0.477 1.00 0.35 H new ATOM 0 HG22 ILE A 93 -4.651 -10.207 -0.485 1.00 0.35 H new ATOM 0 HG23 ILE A 93 -4.157 -8.498 -0.513 1.00 0.35 H new ATOM 0 HD11 ILE A 93 -5.953 -5.448 -1.397 1.00 0.42 H new ATOM 0 HD12 ILE A 93 -4.906 -6.581 -0.510 1.00 0.42 H new ATOM 0 HD13 ILE A 93 -4.786 -6.459 -2.282 1.00 0.42 H new ATOM 1438 N HIS A 94 -5.218 -11.563 -3.291 1.00 0.26 N ATOM 1439 CA HIS A 94 -4.668 -12.915 -3.297 1.00 0.30 C ATOM 1440 C HIS A 94 -3.565 -13.061 -4.339 1.00 0.30 C ATOM 1441 O HIS A 94 -2.574 -13.755 -4.116 1.00 0.38 O ATOM 1442 CB HIS A 94 -5.770 -13.937 -3.580 1.00 0.35 C ATOM 1443 CG HIS A 94 -6.516 -14.376 -2.362 1.00 0.46 C ATOM 1444 ND1 HIS A 94 -6.313 -15.596 -1.755 1.00 0.73 N ATOM 1445 CD2 HIS A 94 -7.478 -13.752 -1.640 1.00 0.70 C ATOM 1446 CE1 HIS A 94 -7.121 -15.708 -0.719 1.00 0.83 C ATOM 1447 NE2 HIS A 94 -7.839 -14.604 -0.629 1.00 0.79 N ATOM 0 H HIS A 94 -6.196 -11.508 -3.574 1.00 0.26 H new ATOM 0 HA HIS A 94 -4.242 -13.100 -2.311 1.00 0.30 H new ATOM 0 HB2 HIS A 94 -6.476 -13.508 -4.291 1.00 0.35 H new ATOM 0 HB3 HIS A 94 -5.327 -14.811 -4.058 1.00 0.35 H new ATOM 0 HD2 HIS A 94 -7.884 -12.769 -1.826 1.00 0.70 H new ATOM 0 HE1 HIS A 94 -7.185 -16.559 -0.057 1.00 0.83 H new ATOM 0 HE2 HIS A 94 -8.548 -14.415 0.079 1.00 0.79 H new ATOM 1456 N HIS A 95 -3.734 -12.393 -5.473 1.00 0.27 N ATOM 1457 CA HIS A 95 -2.757 -12.466 -6.553 1.00 0.30 C ATOM 1458 C HIS A 95 -1.579 -11.532 -6.290 1.00 0.26 C ATOM 1459 O HIS A 95 -0.454 -11.833 -6.679 1.00 0.26 O ATOM 1460 CB HIS A 95 -3.414 -12.129 -7.899 1.00 0.37 C ATOM 1461 CG HIS A 95 -2.450 -12.078 -9.048 1.00 0.50 C ATOM 1462 ND1 HIS A 95 -1.650 -13.144 -9.418 1.00 0.72 N ATOM 1463 CD2 HIS A 95 -2.145 -11.071 -9.900 1.00 0.65 C ATOM 1464 CE1 HIS A 95 -0.898 -12.789 -10.441 1.00 0.79 C ATOM 1465 NE2 HIS A 95 -1.174 -11.539 -10.750 1.00 0.72 N ATOM 0 H HIS A 95 -4.537 -11.795 -5.669 1.00 0.27 H new ATOM 0 HA HIS A 95 -2.379 -13.488 -6.595 1.00 0.30 H new ATOM 0 HB2 HIS A 95 -4.182 -12.872 -8.114 1.00 0.37 H new ATOM 0 HB3 HIS A 95 -3.917 -11.166 -7.816 1.00 0.37 H new ATOM 0 HD1 HIS A 95 -1.643 -14.060 -8.970 1.00 0.72 H new ATOM 0 HD2 HIS A 95 -2.584 -10.084 -9.909 1.00 0.65 H new ATOM 0 HE1 HIS A 95 -0.177 -13.418 -10.942 1.00 0.79 H new ATOM 1474 N TYR A 96 -1.838 -10.408 -5.627 1.00 0.29 N ATOM 1475 CA TYR A 96 -0.781 -9.442 -5.326 1.00 0.29 C ATOM 1476 C TYR A 96 0.303 -10.064 -4.447 1.00 0.24 C ATOM 1477 O TYR A 96 1.488 -9.999 -4.776 1.00 0.24 O ATOM 1478 CB TYR A 96 -1.360 -8.191 -4.653 1.00 0.38 C ATOM 1479 CG TYR A 96 -1.625 -7.063 -5.624 1.00 0.47 C ATOM 1480 CD1 TYR A 96 -0.574 -6.427 -6.276 1.00 1.04 C ATOM 1481 CD2 TYR A 96 -2.922 -6.640 -5.900 1.00 0.76 C ATOM 1482 CE1 TYR A 96 -0.806 -5.408 -7.177 1.00 1.17 C ATOM 1483 CE2 TYR A 96 -3.158 -5.617 -6.797 1.00 0.81 C ATOM 1484 CZ TYR A 96 -2.097 -5.009 -7.432 1.00 0.75 C ATOM 1485 OH TYR A 96 -2.331 -4.002 -8.337 1.00 0.91 O ATOM 0 H TYR A 96 -2.763 -10.143 -5.289 1.00 0.29 H new ATOM 0 HA TYR A 96 -0.325 -9.148 -6.271 1.00 0.29 H new ATOM 0 HB2 TYR A 96 -2.290 -8.454 -4.149 1.00 0.38 H new ATOM 0 HB3 TYR A 96 -0.668 -7.846 -3.885 1.00 0.38 H new ATOM 0 HD1 TYR A 96 0.441 -6.736 -6.074 1.00 1.04 H new ATOM 0 HD2 TYR A 96 -3.755 -7.118 -5.406 1.00 0.76 H new ATOM 0 HE1 TYR A 96 0.021 -4.927 -7.679 1.00 1.17 H new ATOM 0 HE2 TYR A 96 -4.169 -5.295 -7.000 1.00 0.81 H new ATOM 0 HH TYR A 96 -2.939 -3.343 -7.943 1.00 0.91 H new ATOM 1495 N ARG A 97 -0.115 -10.685 -3.348 1.00 0.25 N ATOM 1496 CA ARG A 97 0.813 -11.337 -2.422 1.00 0.25 C ATOM 1497 C ARG A 97 1.558 -12.470 -3.124 1.00 0.22 C ATOM 1498 O ARG A 97 2.706 -12.776 -2.803 1.00 0.29 O ATOM 1499 CB ARG A 97 0.042 -11.886 -1.209 1.00 0.32 C ATOM 1500 CG ARG A 97 0.880 -12.724 -0.247 1.00 0.36 C ATOM 1501 CD ARG A 97 1.865 -11.873 0.538 1.00 0.39 C ATOM 1502 NE ARG A 97 2.566 -12.641 1.571 1.00 0.45 N ATOM 1503 CZ ARG A 97 3.349 -12.093 2.500 1.00 0.48 C ATOM 1504 NH1 ARG A 97 3.544 -10.777 2.529 1.00 0.48 N ATOM 1505 NH2 ARG A 97 3.937 -12.867 3.403 1.00 0.60 N ATOM 0 H ARG A 97 -1.095 -10.752 -3.074 1.00 0.25 H new ATOM 0 HA ARG A 97 1.541 -10.601 -2.080 1.00 0.25 H new ATOM 0 HB2 ARG A 97 -0.388 -11.049 -0.660 1.00 0.32 H new ATOM 0 HB3 ARG A 97 -0.789 -12.493 -1.568 1.00 0.32 H new ATOM 0 HG2 ARG A 97 0.221 -13.248 0.445 1.00 0.36 H new ATOM 0 HG3 ARG A 97 1.424 -13.484 -0.807 1.00 0.36 H new ATOM 0 HD2 ARG A 97 2.594 -11.440 -0.147 1.00 0.39 H new ATOM 0 HD3 ARG A 97 1.334 -11.043 1.004 1.00 0.39 H new ATOM 0 HE ARG A 97 2.448 -13.654 1.579 1.00 0.45 H new ATOM 0 HH11 ARG A 97 3.093 -10.179 1.837 1.00 0.48 H new ATOM 0 HH12 ARG A 97 4.145 -10.366 3.244 1.00 0.48 H new ATOM 0 HH21 ARG A 97 3.789 -13.876 3.384 1.00 0.60 H new ATOM 0 HH22 ARG A 97 4.537 -12.453 4.116 1.00 0.60 H new ATOM 1519 N GLU A 98 0.889 -13.067 -4.100 1.00 0.22 N ATOM 1520 CA GLU A 98 1.437 -14.177 -4.867 1.00 0.24 C ATOM 1521 C GLU A 98 2.466 -13.708 -5.898 1.00 0.23 C ATOM 1522 O GLU A 98 3.593 -14.206 -5.927 1.00 0.26 O ATOM 1523 CB GLU A 98 0.287 -14.916 -5.559 1.00 0.30 C ATOM 1524 CG GLU A 98 0.703 -15.811 -6.714 1.00 0.46 C ATOM 1525 CD GLU A 98 -0.490 -16.204 -7.559 1.00 0.94 C ATOM 1526 OE1 GLU A 98 -0.720 -15.560 -8.608 1.00 1.21 O ATOM 1527 OE2 GLU A 98 -1.218 -17.137 -7.158 1.00 1.35 O ATOM 0 H GLU A 98 -0.052 -12.794 -4.383 1.00 0.22 H new ATOM 0 HA GLU A 98 1.957 -14.847 -4.182 1.00 0.24 H new ATOM 0 HB2 GLU A 98 -0.233 -15.523 -4.818 1.00 0.30 H new ATOM 0 HB3 GLU A 98 -0.428 -14.181 -5.928 1.00 0.30 H new ATOM 0 HG2 GLU A 98 1.436 -15.293 -7.333 1.00 0.46 H new ATOM 0 HG3 GLU A 98 1.189 -16.707 -6.327 1.00 0.46 H new ATOM 1534 N GLN A 99 2.081 -12.745 -6.734 1.00 0.23 N ATOM 1535 CA GLN A 99 2.961 -12.237 -7.784 1.00 0.25 C ATOM 1536 C GLN A 99 4.220 -11.590 -7.215 1.00 0.24 C ATOM 1537 O GLN A 99 5.332 -12.020 -7.518 1.00 0.26 O ATOM 1538 CB GLN A 99 2.223 -11.231 -8.672 1.00 0.30 C ATOM 1539 CG GLN A 99 3.061 -10.724 -9.834 1.00 0.33 C ATOM 1540 CD GLN A 99 2.352 -9.674 -10.661 1.00 0.63 C ATOM 1541 OE1 GLN A 99 1.123 -9.666 -10.761 1.00 1.15 O ATOM 1542 NE2 GLN A 99 3.117 -8.783 -11.266 1.00 1.08 N ATOM 0 H GLN A 99 1.163 -12.300 -6.704 1.00 0.23 H new ATOM 0 HA GLN A 99 3.264 -13.096 -8.383 1.00 0.25 H new ATOM 0 HB2 GLN A 99 1.318 -11.697 -9.062 1.00 0.30 H new ATOM 0 HB3 GLN A 99 1.908 -10.383 -8.064 1.00 0.30 H new ATOM 0 HG2 GLN A 99 3.992 -10.308 -9.449 1.00 0.33 H new ATOM 0 HG3 GLN A 99 3.329 -11.564 -10.475 1.00 0.33 H new ATOM 0 HE21 GLN A 99 4.130 -8.824 -11.158 1.00 1.08 H new ATOM 0 HE22 GLN A 99 2.694 -8.054 -11.841 1.00 1.08 H new ATOM 1551 N ILE A 100 4.040 -10.576 -6.377 1.00 0.24 N ATOM 1552 CA ILE A 100 5.166 -9.849 -5.790 1.00 0.26 C ATOM 1553 C ILE A 100 6.149 -10.790 -5.084 1.00 0.24 C ATOM 1554 O ILE A 100 7.364 -10.623 -5.194 1.00 0.24 O ATOM 1555 CB ILE A 100 4.682 -8.759 -4.804 1.00 0.32 C ATOM 1556 CG1 ILE A 100 3.801 -7.741 -5.539 1.00 0.39 C ATOM 1557 CG2 ILE A 100 5.871 -8.066 -4.140 1.00 0.34 C ATOM 1558 CD1 ILE A 100 3.120 -6.753 -4.620 1.00 0.51 C ATOM 0 H ILE A 100 3.123 -10.236 -6.086 1.00 0.24 H new ATOM 0 HA ILE A 100 5.689 -9.367 -6.616 1.00 0.26 H new ATOM 0 HB ILE A 100 4.089 -9.233 -4.022 1.00 0.32 H new ATOM 0 HG12 ILE A 100 4.413 -7.194 -6.256 1.00 0.39 H new ATOM 0 HG13 ILE A 100 3.042 -8.276 -6.110 1.00 0.39 H new ATOM 0 HG21 ILE A 100 5.509 -7.303 -3.451 1.00 0.34 H new ATOM 0 HG22 ILE A 100 6.460 -8.801 -3.591 1.00 0.34 H new ATOM 0 HG23 ILE A 100 6.493 -7.599 -4.904 1.00 0.34 H new ATOM 0 HD11 ILE A 100 2.515 -6.065 -5.210 1.00 0.51 H new ATOM 0 HD12 ILE A 100 2.481 -7.289 -3.919 1.00 0.51 H new ATOM 0 HD13 ILE A 100 3.873 -6.191 -4.067 1.00 0.51 H new ATOM 1570 N LYS A 101 5.627 -11.792 -4.387 1.00 0.25 N ATOM 1571 CA LYS A 101 6.479 -12.742 -3.677 1.00 0.27 C ATOM 1572 C LYS A 101 7.299 -13.575 -4.660 1.00 0.23 C ATOM 1573 O LYS A 101 8.455 -13.907 -4.394 1.00 0.27 O ATOM 1574 CB LYS A 101 5.642 -13.657 -2.786 1.00 0.34 C ATOM 1575 CG LYS A 101 6.114 -13.678 -1.342 1.00 0.78 C ATOM 1576 CD LYS A 101 5.307 -14.651 -0.497 1.00 0.76 C ATOM 1577 CE LYS A 101 5.588 -16.096 -0.881 1.00 0.97 C ATOM 1578 NZ LYS A 101 4.810 -17.053 -0.048 1.00 1.05 N ATOM 0 H LYS A 101 4.626 -11.968 -4.297 1.00 0.25 H new ATOM 0 HA LYS A 101 7.164 -12.173 -3.048 1.00 0.27 H new ATOM 0 HB2 LYS A 101 4.602 -13.332 -2.817 1.00 0.34 H new ATOM 0 HB3 LYS A 101 5.672 -14.670 -3.186 1.00 0.34 H new ATOM 0 HG2 LYS A 101 7.168 -13.955 -1.308 1.00 0.78 H new ATOM 0 HG3 LYS A 101 6.034 -12.677 -0.919 1.00 0.78 H new ATOM 0 HD2 LYS A 101 5.544 -14.502 0.556 1.00 0.76 H new ATOM 0 HD3 LYS A 101 4.244 -14.443 -0.617 1.00 0.76 H new ATOM 0 HE2 LYS A 101 5.342 -16.247 -1.932 1.00 0.97 H new ATOM 0 HE3 LYS A 101 6.653 -16.301 -0.770 1.00 0.97 H new ATOM 0 HZ1 LYS A 101 5.464 -17.666 0.479 1.00 1.05 H new ATOM 0 HZ2 LYS A 101 4.215 -16.526 0.622 1.00 1.05 H new ATOM 0 HZ3 LYS A 101 4.207 -17.637 -0.662 1.00 1.05 H new ATOM 1592 N ARG A 102 6.699 -13.900 -5.797 1.00 0.22 N ATOM 1593 CA ARG A 102 7.377 -14.684 -6.825 1.00 0.23 C ATOM 1594 C ARG A 102 8.363 -13.814 -7.598 1.00 0.21 C ATOM 1595 O ARG A 102 9.342 -14.307 -8.157 1.00 0.26 O ATOM 1596 CB ARG A 102 6.355 -15.301 -7.781 1.00 0.29 C ATOM 1597 CG ARG A 102 5.661 -16.529 -7.217 1.00 0.35 C ATOM 1598 CD ARG A 102 4.598 -17.062 -8.164 1.00 0.44 C ATOM 1599 NE ARG A 102 3.970 -18.277 -7.644 1.00 0.58 N ATOM 1600 CZ ARG A 102 2.849 -18.807 -8.128 1.00 0.75 C ATOM 1601 NH1 ARG A 102 2.219 -18.238 -9.147 1.00 0.89 N ATOM 1602 NH2 ARG A 102 2.356 -19.915 -7.590 1.00 0.91 N ATOM 0 H ARG A 102 5.743 -13.633 -6.033 1.00 0.22 H new ATOM 0 HA ARG A 102 7.931 -15.486 -6.338 1.00 0.23 H new ATOM 0 HB2 ARG A 102 5.604 -14.551 -8.030 1.00 0.29 H new ATOM 0 HB3 ARG A 102 6.856 -15.571 -8.710 1.00 0.29 H new ATOM 0 HG2 ARG A 102 6.399 -17.307 -7.024 1.00 0.35 H new ATOM 0 HG3 ARG A 102 5.203 -16.280 -6.260 1.00 0.35 H new ATOM 0 HD2 ARG A 102 3.837 -16.298 -8.323 1.00 0.44 H new ATOM 0 HD3 ARG A 102 5.047 -17.271 -9.135 1.00 0.44 H new ATOM 0 HE ARG A 102 4.421 -18.748 -6.860 1.00 0.58 H new ATOM 0 HH11 ARG A 102 2.593 -17.387 -9.567 1.00 0.89 H new ATOM 0 HH12 ARG A 102 1.361 -18.652 -9.511 1.00 0.89 H new ATOM 0 HH21 ARG A 102 2.836 -20.359 -6.807 1.00 0.91 H new ATOM 0 HH22 ARG A 102 1.497 -20.323 -7.959 1.00 0.91 H new ATOM 1616 N VAL A 103 8.086 -12.519 -7.640 1.00 0.21 N ATOM 1617 CA VAL A 103 8.951 -11.573 -8.329 1.00 0.23 C ATOM 1618 C VAL A 103 10.183 -11.278 -7.480 1.00 0.19 C ATOM 1619 O VAL A 103 11.296 -11.189 -7.991 1.00 0.21 O ATOM 1620 CB VAL A 103 8.200 -10.261 -8.649 1.00 0.27 C ATOM 1621 CG1 VAL A 103 9.150 -9.197 -9.180 1.00 0.35 C ATOM 1622 CG2 VAL A 103 7.084 -10.517 -9.650 1.00 0.35 C ATOM 0 H VAL A 103 7.266 -12.098 -7.203 1.00 0.21 H new ATOM 0 HA VAL A 103 9.263 -12.022 -9.272 1.00 0.23 H new ATOM 0 HB VAL A 103 7.763 -9.892 -7.721 1.00 0.27 H new ATOM 0 HG11 VAL A 103 8.592 -8.286 -9.396 1.00 0.35 H new ATOM 0 HG12 VAL A 103 9.914 -8.986 -8.432 1.00 0.35 H new ATOM 0 HG13 VAL A 103 9.625 -9.556 -10.093 1.00 0.35 H new ATOM 0 HG21 VAL A 103 6.566 -9.582 -9.864 1.00 0.35 H new ATOM 0 HG22 VAL A 103 7.507 -10.917 -10.572 1.00 0.35 H new ATOM 0 HG23 VAL A 103 6.379 -11.236 -9.233 1.00 0.35 H new ATOM 1632 N LYS A 104 9.981 -11.137 -6.179 1.00 0.17 N ATOM 1633 CA LYS A 104 11.089 -10.870 -5.270 1.00 0.16 C ATOM 1634 C LYS A 104 11.837 -12.151 -4.942 1.00 0.18 C ATOM 1635 O LYS A 104 13.026 -12.118 -4.621 1.00 0.28 O ATOM 1636 CB LYS A 104 10.586 -10.223 -3.979 1.00 0.18 C ATOM 1637 CG LYS A 104 10.460 -8.714 -4.071 1.00 0.26 C ATOM 1638 CD LYS A 104 9.889 -8.120 -2.793 1.00 0.32 C ATOM 1639 CE LYS A 104 10.955 -7.923 -1.728 1.00 0.51 C ATOM 1640 NZ LYS A 104 11.883 -6.814 -2.075 1.00 0.63 N ATOM 0 H LYS A 104 9.068 -11.202 -5.730 1.00 0.17 H new ATOM 0 HA LYS A 104 11.771 -10.181 -5.769 1.00 0.16 H new ATOM 0 HB2 LYS A 104 9.615 -10.646 -3.724 1.00 0.18 H new ATOM 0 HB3 LYS A 104 11.267 -10.474 -3.166 1.00 0.18 H new ATOM 0 HG2 LYS A 104 11.439 -8.278 -4.269 1.00 0.26 H new ATOM 0 HG3 LYS A 104 9.818 -8.453 -4.912 1.00 0.26 H new ATOM 0 HD2 LYS A 104 9.420 -7.162 -3.017 1.00 0.32 H new ATOM 0 HD3 LYS A 104 9.108 -8.775 -2.407 1.00 0.32 H new ATOM 0 HE2 LYS A 104 10.478 -7.712 -0.771 1.00 0.51 H new ATOM 0 HE3 LYS A 104 11.521 -8.846 -1.605 1.00 0.51 H new ATOM 0 HZ1 LYS A 104 12.596 -6.710 -1.325 1.00 0.63 H new ATOM 0 HZ2 LYS A 104 12.357 -7.027 -2.976 1.00 0.63 H new ATOM 0 HZ3 LYS A 104 11.346 -5.928 -2.167 1.00 0.63 H new ATOM 1654 N ASP A 105 11.126 -13.270 -5.028 1.00 0.17 N ATOM 1655 CA ASP A 105 11.683 -14.587 -4.738 1.00 0.21 C ATOM 1656 C ASP A 105 12.032 -14.701 -3.256 1.00 0.23 C ATOM 1657 O ASP A 105 13.149 -15.059 -2.884 1.00 0.28 O ATOM 1658 CB ASP A 105 12.912 -14.881 -5.605 1.00 0.24 C ATOM 1659 CG ASP A 105 13.190 -16.363 -5.702 1.00 0.34 C ATOM 1660 OD1 ASP A 105 12.304 -17.105 -6.175 1.00 0.43 O ATOM 1661 OD2 ASP A 105 14.297 -16.797 -5.310 1.00 0.47 O ATOM 0 H ASP A 105 10.144 -13.290 -5.302 1.00 0.17 H new ATOM 0 HA ASP A 105 10.924 -15.331 -4.979 1.00 0.21 H new ATOM 0 HB2 ASP A 105 12.757 -14.474 -6.604 1.00 0.24 H new ATOM 0 HB3 ASP A 105 13.782 -14.375 -5.186 1.00 0.24 H new ATOM 1666 N SER A 106 11.068 -14.363 -2.415 1.00 0.28 N ATOM 1667 CA SER A 106 11.250 -14.427 -0.972 1.00 0.33 C ATOM 1668 C SER A 106 10.011 -15.030 -0.319 1.00 0.36 C ATOM 1669 O SER A 106 8.957 -15.125 -0.948 1.00 0.56 O ATOM 1670 CB SER A 106 11.508 -13.027 -0.403 1.00 0.36 C ATOM 1671 OG SER A 106 12.205 -12.211 -1.330 1.00 1.14 O ATOM 0 H SER A 106 10.146 -14.040 -2.708 1.00 0.28 H new ATOM 0 HA SER A 106 12.113 -15.057 -0.757 1.00 0.33 H new ATOM 0 HB2 SER A 106 10.559 -12.557 -0.145 1.00 0.36 H new ATOM 0 HB3 SER A 106 12.085 -13.108 0.518 1.00 0.36 H new ATOM 0 HG SER A 106 12.353 -11.325 -0.939 1.00 1.14 H new ATOM 1677 N GLU A 107 10.145 -15.470 0.922 1.00 0.42 N ATOM 1678 CA GLU A 107 9.019 -16.041 1.647 1.00 0.54 C ATOM 1679 C GLU A 107 8.376 -14.984 2.534 1.00 0.42 C ATOM 1680 O GLU A 107 7.151 -14.888 2.615 1.00 0.54 O ATOM 1681 CB GLU A 107 9.463 -17.234 2.492 1.00 0.74 C ATOM 1682 CG GLU A 107 8.301 -18.051 3.030 1.00 1.11 C ATOM 1683 CD GLU A 107 7.384 -18.554 1.930 1.00 1.17 C ATOM 1684 OE1 GLU A 107 6.185 -18.204 1.939 1.00 1.74 O ATOM 1685 OE2 GLU A 107 7.860 -19.299 1.047 1.00 1.46 O ATOM 0 H GLU A 107 11.019 -15.443 1.448 1.00 0.42 H new ATOM 0 HA GLU A 107 8.287 -16.390 0.919 1.00 0.54 H new ATOM 0 HB2 GLU A 107 10.104 -17.878 1.891 1.00 0.74 H new ATOM 0 HB3 GLU A 107 10.065 -16.876 3.327 1.00 0.74 H new ATOM 0 HG2 GLU A 107 8.688 -18.901 3.592 1.00 1.11 H new ATOM 0 HG3 GLU A 107 7.726 -17.443 3.728 1.00 1.11 H new ATOM 1692 N ASP A 108 9.211 -14.191 3.193 1.00 0.35 N ATOM 1693 CA ASP A 108 8.724 -13.141 4.072 1.00 0.37 C ATOM 1694 C ASP A 108 8.827 -11.794 3.380 1.00 0.29 C ATOM 1695 O ASP A 108 9.919 -11.338 3.043 1.00 0.39 O ATOM 1696 CB ASP A 108 9.516 -13.122 5.385 1.00 0.54 C ATOM 1697 CG ASP A 108 8.968 -12.117 6.377 1.00 0.65 C ATOM 1698 OD1 ASP A 108 7.892 -12.372 6.959 1.00 0.77 O ATOM 1699 OD2 ASP A 108 9.609 -11.064 6.585 1.00 0.78 O ATOM 0 H ASP A 108 10.227 -14.256 3.134 1.00 0.35 H new ATOM 0 HA ASP A 108 7.678 -13.343 4.305 1.00 0.37 H new ATOM 0 HB2 ASP A 108 9.497 -14.116 5.832 1.00 0.54 H new ATOM 0 HB3 ASP A 108 10.559 -12.887 5.173 1.00 0.54 H new ATOM 1704 N VAL A 109 7.687 -11.171 3.150 1.00 0.25 N ATOM 1705 CA VAL A 109 7.648 -9.875 2.500 1.00 0.21 C ATOM 1706 C VAL A 109 6.828 -8.901 3.339 1.00 0.18 C ATOM 1707 O VAL A 109 5.662 -9.176 3.642 1.00 0.25 O ATOM 1708 CB VAL A 109 7.046 -9.963 1.076 1.00 0.27 C ATOM 1709 CG1 VAL A 109 6.875 -8.577 0.468 1.00 0.31 C ATOM 1710 CG2 VAL A 109 7.916 -10.824 0.174 1.00 0.47 C ATOM 0 H VAL A 109 6.772 -11.543 3.405 1.00 0.25 H new ATOM 0 HA VAL A 109 8.674 -9.519 2.410 1.00 0.21 H new ATOM 0 HB VAL A 109 6.063 -10.427 1.160 1.00 0.27 H new ATOM 0 HG11 VAL A 109 6.451 -8.668 -0.532 1.00 0.31 H new ATOM 0 HG12 VAL A 109 6.207 -7.985 1.093 1.00 0.31 H new ATOM 0 HG13 VAL A 109 7.845 -8.084 0.407 1.00 0.31 H new ATOM 0 HG21 VAL A 109 7.473 -10.871 -0.821 1.00 0.47 H new ATOM 0 HG22 VAL A 109 8.913 -10.389 0.107 1.00 0.47 H new ATOM 0 HG23 VAL A 109 7.986 -11.830 0.588 1.00 0.47 H new ATOM 1720 N PRO A 110 7.435 -7.770 3.753 1.00 0.15 N ATOM 1721 CA PRO A 110 6.750 -6.747 4.548 1.00 0.15 C ATOM 1722 C PRO A 110 5.524 -6.202 3.827 1.00 0.14 C ATOM 1723 O PRO A 110 5.636 -5.420 2.878 1.00 0.17 O ATOM 1724 CB PRO A 110 7.803 -5.646 4.723 1.00 0.18 C ATOM 1725 CG PRO A 110 9.109 -6.303 4.464 1.00 0.25 C ATOM 1726 CD PRO A 110 8.836 -7.402 3.476 1.00 0.23 C ATOM 0 HA PRO A 110 6.383 -7.144 5.495 1.00 0.15 H new ATOM 0 HB2 PRO A 110 7.632 -4.825 4.027 1.00 0.18 H new ATOM 0 HB3 PRO A 110 7.768 -5.225 5.728 1.00 0.18 H new ATOM 0 HG2 PRO A 110 9.831 -5.591 4.064 1.00 0.25 H new ATOM 0 HG3 PRO A 110 9.533 -6.704 5.385 1.00 0.25 H new ATOM 0 HD2 PRO A 110 8.966 -7.061 2.449 1.00 0.23 H new ATOM 0 HD3 PRO A 110 9.509 -8.247 3.619 1.00 0.23 H new ATOM 1734 N MET A 111 4.357 -6.636 4.272 1.00 0.13 N ATOM 1735 CA MET A 111 3.104 -6.216 3.682 1.00 0.14 C ATOM 1736 C MET A 111 2.076 -5.963 4.765 1.00 0.15 C ATOM 1737 O MET A 111 2.143 -6.551 5.842 1.00 0.17 O ATOM 1738 CB MET A 111 2.577 -7.288 2.729 1.00 0.17 C ATOM 1739 CG MET A 111 3.132 -7.195 1.315 1.00 0.24 C ATOM 1740 SD MET A 111 2.785 -8.668 0.335 1.00 0.34 S ATOM 1741 CE MET A 111 3.427 -8.176 -1.263 1.00 0.79 C ATOM 0 H MET A 111 4.255 -7.287 5.050 1.00 0.13 H new ATOM 0 HA MET A 111 3.280 -5.296 3.125 1.00 0.14 H new ATOM 0 HB2 MET A 111 2.816 -8.270 3.137 1.00 0.17 H new ATOM 0 HB3 MET A 111 1.490 -7.217 2.686 1.00 0.17 H new ATOM 0 HG2 MET A 111 2.705 -6.324 0.818 1.00 0.24 H new ATOM 0 HG3 MET A 111 4.210 -7.040 1.361 1.00 0.24 H new ATOM 0 HE1 MET A 111 3.465 -9.043 -1.923 1.00 0.79 H new ATOM 0 HE2 MET A 111 2.777 -7.417 -1.698 1.00 0.79 H new ATOM 0 HE3 MET A 111 4.431 -7.768 -1.142 1.00 0.79 H new ATOM 1751 N VAL A 112 1.146 -5.074 4.482 1.00 0.16 N ATOM 1752 CA VAL A 112 0.082 -4.750 5.422 1.00 0.16 C ATOM 1753 C VAL A 112 -1.244 -4.655 4.675 1.00 0.17 C ATOM 1754 O VAL A 112 -1.352 -3.935 3.678 1.00 0.17 O ATOM 1755 CB VAL A 112 0.359 -3.423 6.179 1.00 0.17 C ATOM 1756 CG1 VAL A 112 -0.869 -2.963 6.952 1.00 0.22 C ATOM 1757 CG2 VAL A 112 1.543 -3.568 7.124 1.00 0.21 C ATOM 0 H VAL A 112 1.102 -4.558 3.603 1.00 0.16 H new ATOM 0 HA VAL A 112 0.037 -5.546 6.165 1.00 0.16 H new ATOM 0 HB VAL A 112 0.601 -2.668 5.431 1.00 0.17 H new ATOM 0 HG11 VAL A 112 -0.644 -2.032 7.472 1.00 0.22 H new ATOM 0 HG12 VAL A 112 -1.695 -2.802 6.260 1.00 0.22 H new ATOM 0 HG13 VAL A 112 -1.148 -3.726 7.679 1.00 0.22 H new ATOM 0 HG21 VAL A 112 1.714 -2.624 7.641 1.00 0.21 H new ATOM 0 HG22 VAL A 112 1.332 -4.348 7.855 1.00 0.21 H new ATOM 0 HG23 VAL A 112 2.433 -3.836 6.554 1.00 0.21 H new ATOM 1767 N LEU A 113 -2.235 -5.400 5.139 1.00 0.18 N ATOM 1768 CA LEU A 113 -3.542 -5.393 4.508 1.00 0.19 C ATOM 1769 C LEU A 113 -4.337 -4.194 4.994 1.00 0.20 C ATOM 1770 O LEU A 113 -4.558 -4.023 6.194 1.00 0.23 O ATOM 1771 CB LEU A 113 -4.290 -6.690 4.811 1.00 0.23 C ATOM 1772 CG LEU A 113 -5.618 -6.866 4.067 1.00 0.23 C ATOM 1773 CD1 LEU A 113 -5.395 -6.919 2.562 1.00 0.26 C ATOM 1774 CD2 LEU A 113 -6.331 -8.121 4.546 1.00 0.29 C ATOM 0 H LEU A 113 -2.158 -6.015 5.949 1.00 0.18 H new ATOM 0 HA LEU A 113 -3.414 -5.320 3.428 1.00 0.19 H new ATOM 0 HB2 LEU A 113 -3.641 -7.531 4.567 1.00 0.23 H new ATOM 0 HB3 LEU A 113 -4.483 -6.737 5.883 1.00 0.23 H new ATOM 0 HG LEU A 113 -6.248 -6.004 4.285 1.00 0.23 H new ATOM 0 HD11 LEU A 113 -6.353 -7.044 2.056 1.00 0.26 H new ATOM 0 HD12 LEU A 113 -4.928 -5.991 2.230 1.00 0.26 H new ATOM 0 HD13 LEU A 113 -4.744 -7.759 2.320 1.00 0.26 H new ATOM 0 HD21 LEU A 113 -7.273 -8.232 4.008 1.00 0.29 H new ATOM 0 HD22 LEU A 113 -5.701 -8.991 4.359 1.00 0.29 H new ATOM 0 HD23 LEU A 113 -6.531 -8.041 5.615 1.00 0.29 H new ATOM 1786 N VAL A 114 -4.761 -3.364 4.063 1.00 0.23 N ATOM 1787 CA VAL A 114 -5.508 -2.172 4.403 1.00 0.28 C ATOM 1788 C VAL A 114 -6.846 -2.125 3.686 1.00 0.24 C ATOM 1789 O VAL A 114 -6.920 -2.275 2.466 1.00 0.30 O ATOM 1790 CB VAL A 114 -4.709 -0.900 4.063 1.00 0.38 C ATOM 1791 CG1 VAL A 114 -5.535 0.347 4.328 1.00 0.82 C ATOM 1792 CG2 VAL A 114 -3.413 -0.858 4.850 1.00 0.59 C ATOM 0 H VAL A 114 -4.600 -3.494 3.064 1.00 0.23 H new ATOM 0 HA VAL A 114 -5.686 -2.210 5.478 1.00 0.28 H new ATOM 0 HB VAL A 114 -4.467 -0.926 3.001 1.00 0.38 H new ATOM 0 HG11 VAL A 114 -4.948 1.232 4.080 1.00 0.82 H new ATOM 0 HG12 VAL A 114 -6.435 0.325 3.714 1.00 0.82 H new ATOM 0 HG13 VAL A 114 -5.815 0.381 5.381 1.00 0.82 H new ATOM 0 HG21 VAL A 114 -2.862 0.048 4.596 1.00 0.59 H new ATOM 0 HG22 VAL A 114 -3.635 -0.861 5.917 1.00 0.59 H new ATOM 0 HG23 VAL A 114 -2.809 -1.731 4.603 1.00 0.59 H new ATOM 1802 N GLY A 115 -7.901 -1.923 4.452 1.00 0.20 N ATOM 1803 CA GLY A 115 -9.224 -1.822 3.881 1.00 0.19 C ATOM 1804 C GLY A 115 -9.667 -0.376 3.812 1.00 0.19 C ATOM 1805 O GLY A 115 -10.040 0.205 4.829 1.00 0.27 O ATOM 0 H GLY A 115 -7.865 -1.826 5.467 1.00 0.20 H new ATOM 0 HA2 GLY A 115 -9.229 -2.257 2.882 1.00 0.19 H new ATOM 0 HA3 GLY A 115 -9.930 -2.396 4.482 1.00 0.19 H new ATOM 1809 N ASN A 116 -9.595 0.213 2.627 1.00 0.16 N ATOM 1810 CA ASN A 116 -9.986 1.607 2.449 1.00 0.15 C ATOM 1811 C ASN A 116 -11.483 1.708 2.186 1.00 0.16 C ATOM 1812 O ASN A 116 -12.136 0.699 1.911 1.00 0.16 O ATOM 1813 CB ASN A 116 -9.202 2.250 1.297 1.00 0.16 C ATOM 1814 CG ASN A 116 -9.391 3.759 1.227 1.00 0.17 C ATOM 1815 OD1 ASN A 116 -9.557 4.425 2.249 1.00 0.19 O ATOM 1816 ND2 ASN A 116 -9.382 4.312 0.023 1.00 0.21 N ATOM 0 H ASN A 116 -9.271 -0.249 1.777 1.00 0.16 H new ATOM 0 HA ASN A 116 -9.752 2.146 3.367 1.00 0.15 H new ATOM 0 HB2 ASN A 116 -8.142 2.026 1.415 1.00 0.16 H new ATOM 0 HB3 ASN A 116 -9.519 1.804 0.354 1.00 0.16 H new ATOM 0 HD21 ASN A 116 -9.515 5.318 -0.077 1.00 0.21 H new ATOM 0 HD22 ASN A 116 -9.242 3.731 -0.804 1.00 0.21 H new ATOM 1823 N LYS A 117 -12.012 2.929 2.298 1.00 0.18 N ATOM 1824 CA LYS A 117 -13.430 3.203 2.078 1.00 0.21 C ATOM 1825 C LYS A 117 -14.272 2.600 3.198 1.00 0.23 C ATOM 1826 O LYS A 117 -15.434 2.243 2.996 1.00 0.26 O ATOM 1827 CB LYS A 117 -13.880 2.668 0.709 1.00 0.21 C ATOM 1828 CG LYS A 117 -13.188 3.339 -0.467 1.00 0.25 C ATOM 1829 CD LYS A 117 -13.529 2.661 -1.787 1.00 0.31 C ATOM 1830 CE LYS A 117 -12.797 3.316 -2.948 1.00 0.42 C ATOM 1831 NZ LYS A 117 -13.156 2.711 -4.261 1.00 0.54 N ATOM 0 H LYS A 117 -11.467 3.755 2.544 1.00 0.18 H new ATOM 0 HA LYS A 117 -13.576 4.283 2.085 1.00 0.21 H new ATOM 0 HB2 LYS A 117 -13.690 1.596 0.667 1.00 0.21 H new ATOM 0 HB3 LYS A 117 -14.957 2.805 0.612 1.00 0.21 H new ATOM 0 HG2 LYS A 117 -13.481 4.388 -0.511 1.00 0.25 H new ATOM 0 HG3 LYS A 117 -12.109 3.316 -0.315 1.00 0.25 H new ATOM 0 HD2 LYS A 117 -13.263 1.605 -1.736 1.00 0.31 H new ATOM 0 HD3 LYS A 117 -14.604 2.711 -1.957 1.00 0.31 H new ATOM 0 HE2 LYS A 117 -13.030 4.381 -2.966 1.00 0.42 H new ATOM 0 HE3 LYS A 117 -11.722 3.227 -2.792 1.00 0.42 H new ATOM 0 HZ1 LYS A 117 -12.444 2.976 -4.971 1.00 0.54 H new ATOM 0 HZ2 LYS A 117 -13.186 1.675 -4.170 1.00 0.54 H new ATOM 0 HZ3 LYS A 117 -14.089 3.059 -4.560 1.00 0.54 H new ATOM 1845 N CYS A 118 -13.681 2.514 4.387 1.00 0.27 N ATOM 1846 CA CYS A 118 -14.360 1.948 5.550 1.00 0.33 C ATOM 1847 C CYS A 118 -15.515 2.836 6.007 1.00 0.38 C ATOM 1848 O CYS A 118 -16.332 2.428 6.834 1.00 0.46 O ATOM 1849 CB CYS A 118 -13.367 1.761 6.697 1.00 0.36 C ATOM 1850 SG CYS A 118 -12.655 3.300 7.317 1.00 0.41 S ATOM 0 H CYS A 118 -12.729 2.831 4.571 1.00 0.27 H new ATOM 0 HA CYS A 118 -14.769 0.980 5.260 1.00 0.33 H new ATOM 0 HB2 CYS A 118 -13.869 1.249 7.518 1.00 0.36 H new ATOM 0 HB3 CYS A 118 -12.560 1.109 6.362 1.00 0.36 H new ATOM 0 HG CYS A 118 -11.394 3.121 7.576 1.00 0.41 H new ATOM 1856 N ASP A 119 -15.578 4.050 5.478 1.00 0.38 N ATOM 1857 CA ASP A 119 -16.638 4.980 5.836 1.00 0.45 C ATOM 1858 C ASP A 119 -17.861 4.772 4.949 1.00 0.46 C ATOM 1859 O ASP A 119 -18.925 5.339 5.202 1.00 0.54 O ATOM 1860 CB ASP A 119 -16.149 6.429 5.742 1.00 0.52 C ATOM 1861 CG ASP A 119 -15.777 6.837 4.331 1.00 0.54 C ATOM 1862 OD1 ASP A 119 -14.691 6.426 3.862 1.00 0.44 O ATOM 1863 OD2 ASP A 119 -16.559 7.582 3.697 1.00 0.70 O ATOM 0 H ASP A 119 -14.908 4.413 4.800 1.00 0.38 H new ATOM 0 HA ASP A 119 -16.924 4.782 6.869 1.00 0.45 H new ATOM 0 HB2 ASP A 119 -16.928 7.095 6.113 1.00 0.52 H new ATOM 0 HB3 ASP A 119 -15.283 6.558 6.392 1.00 0.52 H new ATOM 1868 N LEU A 120 -17.713 3.941 3.923 1.00 0.42 N ATOM 1869 CA LEU A 120 -18.807 3.666 2.999 1.00 0.45 C ATOM 1870 C LEU A 120 -19.703 2.550 3.531 1.00 0.42 C ATOM 1871 O LEU A 120 -19.244 1.656 4.245 1.00 0.44 O ATOM 1872 CB LEU A 120 -18.270 3.271 1.616 1.00 0.53 C ATOM 1873 CG LEU A 120 -17.342 4.290 0.938 1.00 0.59 C ATOM 1874 CD1 LEU A 120 -17.043 3.859 -0.488 1.00 0.67 C ATOM 1875 CD2 LEU A 120 -17.965 5.676 0.951 1.00 0.62 C ATOM 0 H LEU A 120 -16.847 3.446 3.710 1.00 0.42 H new ATOM 0 HA LEU A 120 -19.394 4.580 2.906 1.00 0.45 H new ATOM 0 HB2 LEU A 120 -17.732 2.328 1.713 1.00 0.53 H new ATOM 0 HB3 LEU A 120 -19.119 3.088 0.957 1.00 0.53 H new ATOM 0 HG LEU A 120 -16.407 4.330 1.497 1.00 0.59 H new ATOM 0 HD11 LEU A 120 -16.384 4.589 -0.958 1.00 0.67 H new ATOM 0 HD12 LEU A 120 -16.556 2.884 -0.479 1.00 0.67 H new ATOM 0 HD13 LEU A 120 -17.974 3.794 -1.051 1.00 0.67 H new ATOM 0 HD21 LEU A 120 -17.291 6.382 0.466 1.00 0.62 H new ATOM 0 HD22 LEU A 120 -18.914 5.653 0.415 1.00 0.62 H new ATOM 0 HD23 LEU A 120 -18.137 5.988 1.981 1.00 0.62 H new ATOM 1887 N PRO A 121 -21.005 2.604 3.207 1.00 0.42 N ATOM 1888 CA PRO A 121 -21.963 1.587 3.628 1.00 0.43 C ATOM 1889 C PRO A 121 -21.932 0.368 2.706 1.00 0.48 C ATOM 1890 O PRO A 121 -21.129 0.319 1.770 1.00 0.53 O ATOM 1891 CB PRO A 121 -23.297 2.319 3.516 1.00 0.44 C ATOM 1892 CG PRO A 121 -23.107 3.294 2.408 1.00 0.54 C ATOM 1893 CD PRO A 121 -21.650 3.675 2.417 1.00 0.44 C ATOM 0 HA PRO A 121 -21.759 1.195 4.625 1.00 0.43 H new ATOM 0 HB2 PRO A 121 -24.110 1.627 3.298 1.00 0.44 H new ATOM 0 HB3 PRO A 121 -23.550 2.824 4.448 1.00 0.44 H new ATOM 0 HG2 PRO A 121 -23.386 2.853 1.451 1.00 0.54 H new ATOM 0 HG3 PRO A 121 -23.738 4.171 2.551 1.00 0.54 H new ATOM 0 HD2 PRO A 121 -21.244 3.725 1.407 1.00 0.44 H new ATOM 0 HD3 PRO A 121 -21.496 4.654 2.871 1.00 0.44 H new ATOM 1901 N SER A 122 -22.803 -0.603 2.975 1.00 0.52 N ATOM 1902 CA SER A 122 -22.883 -1.821 2.173 1.00 0.59 C ATOM 1903 C SER A 122 -21.546 -2.553 2.154 1.00 0.53 C ATOM 1904 O SER A 122 -20.987 -2.830 1.092 1.00 0.55 O ATOM 1905 CB SER A 122 -23.332 -1.503 0.743 1.00 0.68 C ATOM 1906 OG SER A 122 -24.696 -1.116 0.716 1.00 0.84 O ATOM 0 H SER A 122 -23.467 -0.568 3.748 1.00 0.52 H new ATOM 0 HA SER A 122 -23.625 -2.473 2.634 1.00 0.59 H new ATOM 0 HB2 SER A 122 -22.715 -0.704 0.333 1.00 0.68 H new ATOM 0 HB3 SER A 122 -23.185 -2.377 0.108 1.00 0.68 H new ATOM 0 HG SER A 122 -24.961 -0.916 -0.206 1.00 0.84 H new ATOM 1912 N ARG A 123 -21.035 -2.854 3.338 1.00 0.47 N ATOM 1913 CA ARG A 123 -19.766 -3.557 3.459 1.00 0.41 C ATOM 1914 C ARG A 123 -19.907 -4.978 2.925 1.00 0.36 C ATOM 1915 O ARG A 123 -20.584 -5.810 3.527 1.00 0.41 O ATOM 1916 CB ARG A 123 -19.307 -3.587 4.919 1.00 0.45 C ATOM 1917 CG ARG A 123 -17.882 -4.092 5.096 1.00 0.42 C ATOM 1918 CD ARG A 123 -17.459 -4.075 6.557 1.00 0.43 C ATOM 1919 NE ARG A 123 -17.348 -2.717 7.083 1.00 0.40 N ATOM 1920 CZ ARG A 123 -16.245 -2.217 7.638 1.00 0.45 C ATOM 1921 NH1 ARG A 123 -15.145 -2.954 7.749 1.00 0.55 N ATOM 1922 NH2 ARG A 123 -16.230 -0.962 8.072 1.00 0.58 N ATOM 0 H ARG A 123 -21.478 -2.623 4.227 1.00 0.47 H new ATOM 0 HA ARG A 123 -19.016 -3.028 2.871 1.00 0.41 H new ATOM 0 HB2 ARG A 123 -19.383 -2.583 5.336 1.00 0.45 H new ATOM 0 HB3 ARG A 123 -19.983 -4.222 5.491 1.00 0.45 H new ATOM 0 HG2 ARG A 123 -17.804 -5.107 4.706 1.00 0.42 H new ATOM 0 HG3 ARG A 123 -17.201 -3.473 4.512 1.00 0.42 H new ATOM 0 HD2 ARG A 123 -18.183 -4.634 7.150 1.00 0.43 H new ATOM 0 HD3 ARG A 123 -16.500 -4.583 6.662 1.00 0.43 H new ATOM 0 HE ARG A 123 -18.167 -2.113 7.021 1.00 0.40 H new ATOM 0 HH11 ARG A 123 -15.138 -3.915 7.407 1.00 0.55 H new ATOM 0 HH12 ARG A 123 -14.307 -2.559 8.176 1.00 0.55 H new ATOM 0 HH21 ARG A 123 -17.063 -0.381 7.980 1.00 0.58 H new ATOM 0 HH22 ARG A 123 -15.385 -0.579 8.497 1.00 0.58 H new ATOM 1936 N THR A 124 -19.284 -5.243 1.787 1.00 0.33 N ATOM 1937 CA THR A 124 -19.350 -6.557 1.172 1.00 0.32 C ATOM 1938 C THR A 124 -18.304 -7.490 1.782 1.00 0.30 C ATOM 1939 O THR A 124 -18.582 -8.656 2.065 1.00 0.33 O ATOM 1940 CB THR A 124 -19.133 -6.454 -0.348 1.00 0.38 C ATOM 1941 OG1 THR A 124 -19.596 -5.177 -0.820 1.00 0.65 O ATOM 1942 CG2 THR A 124 -19.872 -7.568 -1.074 1.00 0.81 C ATOM 0 H THR A 124 -18.726 -4.563 1.271 1.00 0.33 H new ATOM 0 HA THR A 124 -20.342 -6.969 1.360 1.00 0.32 H new ATOM 0 HB THR A 124 -18.067 -6.554 -0.553 1.00 0.38 H new ATOM 0 HG1 THR A 124 -19.455 -5.115 -1.788 1.00 0.65 H new ATOM 0 HG21 THR A 124 -19.705 -7.476 -2.147 1.00 0.81 H new ATOM 0 HG22 THR A 124 -19.502 -8.534 -0.731 1.00 0.81 H new ATOM 0 HG23 THR A 124 -20.939 -7.493 -0.865 1.00 0.81 H new ATOM 1950 N VAL A 125 -17.104 -6.969 1.990 1.00 0.33 N ATOM 1951 CA VAL A 125 -16.030 -7.751 2.579 1.00 0.32 C ATOM 1952 C VAL A 125 -16.127 -7.702 4.100 1.00 0.35 C ATOM 1953 O VAL A 125 -15.931 -6.647 4.707 1.00 0.37 O ATOM 1954 CB VAL A 125 -14.642 -7.239 2.138 1.00 0.31 C ATOM 1955 CG1 VAL A 125 -13.569 -8.263 2.474 1.00 0.34 C ATOM 1956 CG2 VAL A 125 -14.634 -6.917 0.647 1.00 0.28 C ATOM 0 H VAL A 125 -16.851 -6.008 1.759 1.00 0.33 H new ATOM 0 HA VAL A 125 -16.140 -8.778 2.230 1.00 0.32 H new ATOM 0 HB VAL A 125 -14.424 -6.320 2.683 1.00 0.31 H new ATOM 0 HG11 VAL A 125 -12.596 -7.888 2.157 1.00 0.34 H new ATOM 0 HG12 VAL A 125 -13.557 -8.438 3.550 1.00 0.34 H new ATOM 0 HG13 VAL A 125 -13.783 -9.198 1.956 1.00 0.34 H new ATOM 0 HG21 VAL A 125 -13.646 -6.558 0.358 1.00 0.28 H new ATOM 0 HG22 VAL A 125 -14.874 -7.816 0.079 1.00 0.28 H new ATOM 0 HG23 VAL A 125 -15.376 -6.147 0.437 1.00 0.28 H new ATOM 1966 N ASP A 126 -16.438 -8.840 4.709 1.00 0.37 N ATOM 1967 CA ASP A 126 -16.566 -8.913 6.162 1.00 0.41 C ATOM 1968 C ASP A 126 -15.220 -8.667 6.834 1.00 0.36 C ATOM 1969 O ASP A 126 -14.167 -9.007 6.287 1.00 0.34 O ATOM 1970 CB ASP A 126 -17.133 -10.270 6.593 1.00 0.47 C ATOM 1971 CG ASP A 126 -17.413 -10.331 8.085 1.00 0.89 C ATOM 1972 OD1 ASP A 126 -16.573 -10.877 8.834 1.00 1.36 O ATOM 1973 OD2 ASP A 126 -18.471 -9.828 8.519 1.00 1.69 O ATOM 0 H ASP A 126 -16.606 -9.721 4.224 1.00 0.37 H new ATOM 0 HA ASP A 126 -17.260 -8.134 6.477 1.00 0.41 H new ATOM 0 HB2 ASP A 126 -18.054 -10.467 6.045 1.00 0.47 H new ATOM 0 HB3 ASP A 126 -16.428 -11.057 6.325 1.00 0.47 H new ATOM 1978 N THR A 127 -15.264 -8.073 8.016 1.00 0.36 N ATOM 1979 CA THR A 127 -14.064 -7.749 8.772 1.00 0.33 C ATOM 1980 C THR A 127 -13.213 -8.985 9.070 1.00 0.27 C ATOM 1981 O THR A 127 -11.986 -8.932 8.983 1.00 0.26 O ATOM 1982 CB THR A 127 -14.442 -7.058 10.092 1.00 0.39 C ATOM 1983 OG1 THR A 127 -15.870 -7.078 10.250 1.00 0.82 O ATOM 1984 CG2 THR A 127 -13.953 -5.620 10.108 1.00 0.56 C ATOM 0 H THR A 127 -16.132 -7.802 8.478 1.00 0.36 H new ATOM 0 HA THR A 127 -13.469 -7.077 8.154 1.00 0.33 H new ATOM 0 HB THR A 127 -13.968 -7.596 10.913 1.00 0.39 H new ATOM 0 HG1 THR A 127 -16.112 -6.639 11.092 1.00 0.82 H new ATOM 0 HG21 THR A 127 -14.232 -5.151 11.052 1.00 0.56 H new ATOM 0 HG22 THR A 127 -12.868 -5.603 10.001 1.00 0.56 H new ATOM 0 HG23 THR A 127 -14.407 -5.072 9.282 1.00 0.56 H new ATOM 1992 N LYS A 128 -13.862 -10.104 9.392 1.00 0.28 N ATOM 1993 CA LYS A 128 -13.135 -11.323 9.713 1.00 0.27 C ATOM 1994 C LYS A 128 -12.445 -11.885 8.478 1.00 0.24 C ATOM 1995 O LYS A 128 -11.329 -12.375 8.569 1.00 0.24 O ATOM 1996 CB LYS A 128 -14.053 -12.390 10.315 1.00 0.34 C ATOM 1997 CG LYS A 128 -13.306 -13.673 10.665 1.00 0.39 C ATOM 1998 CD LYS A 128 -14.240 -14.781 11.120 1.00 0.46 C ATOM 1999 CE LYS A 128 -13.477 -16.061 11.434 1.00 0.54 C ATOM 2000 NZ LYS A 128 -12.862 -16.662 10.221 1.00 0.62 N ATOM 0 H LYS A 128 -14.878 -10.188 9.436 1.00 0.28 H new ATOM 0 HA LYS A 128 -12.383 -11.057 10.456 1.00 0.27 H new ATOM 0 HB2 LYS A 128 -14.527 -11.993 11.213 1.00 0.34 H new ATOM 0 HB3 LYS A 128 -14.851 -12.619 9.608 1.00 0.34 H new ATOM 0 HG2 LYS A 128 -12.742 -14.011 9.795 1.00 0.39 H new ATOM 0 HG3 LYS A 128 -12.582 -13.465 11.453 1.00 0.39 H new ATOM 0 HD2 LYS A 128 -14.787 -14.456 12.005 1.00 0.46 H new ATOM 0 HD3 LYS A 128 -14.978 -14.978 10.343 1.00 0.46 H new ATOM 0 HE2 LYS A 128 -12.698 -15.847 12.166 1.00 0.54 H new ATOM 0 HE3 LYS A 128 -14.154 -16.782 11.891 1.00 0.54 H new ATOM 0 HZ1 LYS A 128 -13.254 -17.613 10.068 1.00 0.62 H new ATOM 0 HZ2 LYS A 128 -13.069 -16.065 9.395 1.00 0.62 H new ATOM 0 HZ3 LYS A 128 -11.832 -16.729 10.351 1.00 0.62 H new ATOM 2014 N GLN A 129 -13.098 -11.790 7.324 1.00 0.25 N ATOM 2015 CA GLN A 129 -12.531 -12.313 6.080 1.00 0.26 C ATOM 2016 C GLN A 129 -11.160 -11.710 5.796 1.00 0.25 C ATOM 2017 O GLN A 129 -10.224 -12.420 5.422 1.00 0.31 O ATOM 2018 CB GLN A 129 -13.462 -12.033 4.902 1.00 0.30 C ATOM 2019 CG GLN A 129 -14.702 -12.905 4.887 1.00 0.54 C ATOM 2020 CD GLN A 129 -15.473 -12.793 3.591 1.00 0.68 C ATOM 2021 OE1 GLN A 129 -16.328 -11.920 3.432 1.00 0.89 O ATOM 2022 NE2 GLN A 129 -15.179 -13.681 2.656 1.00 0.93 N ATOM 0 H GLN A 129 -14.016 -11.358 7.221 1.00 0.25 H new ATOM 0 HA GLN A 129 -12.419 -13.390 6.204 1.00 0.26 H new ATOM 0 HB2 GLN A 129 -13.765 -10.986 4.930 1.00 0.30 H new ATOM 0 HB3 GLN A 129 -12.913 -12.181 3.972 1.00 0.30 H new ATOM 0 HG2 GLN A 129 -14.413 -13.944 5.046 1.00 0.54 H new ATOM 0 HG3 GLN A 129 -15.350 -12.624 5.717 1.00 0.54 H new ATOM 0 HE21 GLN A 129 -14.464 -14.387 2.830 1.00 0.93 H new ATOM 0 HE22 GLN A 129 -15.668 -13.660 1.761 1.00 0.93 H new ATOM 2031 N ALA A 130 -11.051 -10.402 5.988 1.00 0.24 N ATOM 2032 CA ALA A 130 -9.800 -9.697 5.753 1.00 0.27 C ATOM 2033 C ALA A 130 -8.779 -10.025 6.837 1.00 0.25 C ATOM 2034 O ALA A 130 -7.623 -10.324 6.539 1.00 0.27 O ATOM 2035 CB ALA A 130 -10.047 -8.199 5.693 1.00 0.30 C ATOM 0 H ALA A 130 -11.816 -9.808 6.307 1.00 0.24 H new ATOM 0 HA ALA A 130 -9.395 -10.026 4.796 1.00 0.27 H new ATOM 0 HB1 ALA A 130 -9.104 -7.682 5.517 1.00 0.30 H new ATOM 0 HB2 ALA A 130 -10.740 -7.977 4.882 1.00 0.30 H new ATOM 0 HB3 ALA A 130 -10.474 -7.863 6.638 1.00 0.30 H new ATOM 2041 N GLN A 131 -9.222 -9.978 8.090 1.00 0.23 N ATOM 2042 CA GLN A 131 -8.359 -10.273 9.234 1.00 0.26 C ATOM 2043 C GLN A 131 -7.816 -11.694 9.138 1.00 0.27 C ATOM 2044 O GLN A 131 -6.625 -11.934 9.339 1.00 0.28 O ATOM 2045 CB GLN A 131 -9.146 -10.099 10.540 1.00 0.28 C ATOM 2046 CG GLN A 131 -8.291 -10.190 11.797 1.00 0.34 C ATOM 2047 CD GLN A 131 -7.402 -8.977 11.999 1.00 0.39 C ATOM 2048 OE1 GLN A 131 -6.237 -8.974 11.607 1.00 0.47 O ATOM 2049 NE2 GLN A 131 -7.949 -7.933 12.607 1.00 0.42 N ATOM 0 H GLN A 131 -10.181 -9.737 8.342 1.00 0.23 H new ATOM 0 HA GLN A 131 -7.519 -9.578 9.227 1.00 0.26 H new ATOM 0 HB2 GLN A 131 -9.647 -9.131 10.524 1.00 0.28 H new ATOM 0 HB3 GLN A 131 -9.925 -10.860 10.587 1.00 0.28 H new ATOM 0 HG2 GLN A 131 -8.941 -10.305 12.664 1.00 0.34 H new ATOM 0 HG3 GLN A 131 -7.670 -11.084 11.743 1.00 0.34 H new ATOM 0 HE21 GLN A 131 -8.920 -7.975 12.918 1.00 0.42 H new ATOM 0 HE22 GLN A 131 -7.399 -7.088 12.764 1.00 0.42 H new ATOM 2058 N ASP A 132 -8.701 -12.620 8.805 1.00 0.29 N ATOM 2059 CA ASP A 132 -8.353 -14.031 8.678 1.00 0.33 C ATOM 2060 C ASP A 132 -7.314 -14.228 7.579 1.00 0.28 C ATOM 2061 O ASP A 132 -6.358 -14.985 7.743 1.00 0.30 O ATOM 2062 CB ASP A 132 -9.602 -14.855 8.355 1.00 0.41 C ATOM 2063 CG ASP A 132 -9.517 -16.277 8.866 1.00 0.58 C ATOM 2064 OD1 ASP A 132 -8.766 -17.081 8.274 1.00 1.17 O ATOM 2065 OD2 ASP A 132 -10.218 -16.604 9.850 1.00 1.18 O ATOM 0 H ASP A 132 -9.682 -12.417 8.614 1.00 0.29 H new ATOM 0 HA ASP A 132 -7.934 -14.368 9.626 1.00 0.33 H new ATOM 0 HB2 ASP A 132 -10.475 -14.369 8.791 1.00 0.41 H new ATOM 0 HB3 ASP A 132 -9.752 -14.870 7.275 1.00 0.41 H new ATOM 2070 N LEU A 133 -7.513 -13.538 6.457 1.00 0.27 N ATOM 2071 CA LEU A 133 -6.599 -13.639 5.326 1.00 0.26 C ATOM 2072 C LEU A 133 -5.238 -13.066 5.682 1.00 0.21 C ATOM 2073 O LEU A 133 -4.206 -13.620 5.308 1.00 0.20 O ATOM 2074 CB LEU A 133 -7.165 -12.910 4.106 1.00 0.32 C ATOM 2075 CG LEU A 133 -6.313 -13.026 2.838 1.00 0.34 C ATOM 2076 CD1 LEU A 133 -6.203 -14.475 2.390 1.00 0.44 C ATOM 2077 CD2 LEU A 133 -6.887 -12.162 1.731 1.00 0.44 C ATOM 0 H LEU A 133 -8.299 -12.904 6.309 1.00 0.27 H new ATOM 0 HA LEU A 133 -6.483 -14.695 5.083 1.00 0.26 H new ATOM 0 HB2 LEU A 133 -8.160 -13.301 3.895 1.00 0.32 H new ATOM 0 HB3 LEU A 133 -7.283 -11.855 4.353 1.00 0.32 H new ATOM 0 HG LEU A 133 -5.309 -12.668 3.067 1.00 0.34 H new ATOM 0 HD11 LEU A 133 -5.594 -14.532 1.488 1.00 0.44 H new ATOM 0 HD12 LEU A 133 -5.739 -15.066 3.180 1.00 0.44 H new ATOM 0 HD13 LEU A 133 -7.198 -14.868 2.181 1.00 0.44 H new ATOM 0 HD21 LEU A 133 -6.269 -12.257 0.838 1.00 0.44 H new ATOM 0 HD22 LEU A 133 -7.903 -12.487 1.506 1.00 0.44 H new ATOM 0 HD23 LEU A 133 -6.902 -11.121 2.053 1.00 0.44 H new ATOM 2089 N ALA A 134 -5.238 -11.947 6.390 1.00 0.21 N ATOM 2090 CA ALA A 134 -3.998 -11.311 6.787 1.00 0.21 C ATOM 2091 C ALA A 134 -3.238 -12.197 7.766 1.00 0.22 C ATOM 2092 O ALA A 134 -2.010 -12.264 7.733 1.00 0.25 O ATOM 2093 CB ALA A 134 -4.280 -9.947 7.394 1.00 0.25 C ATOM 0 H ALA A 134 -6.082 -11.464 6.699 1.00 0.21 H new ATOM 0 HA ALA A 134 -3.374 -11.170 5.904 1.00 0.21 H new ATOM 0 HB1 ALA A 134 -3.341 -9.479 7.689 1.00 0.25 H new ATOM 0 HB2 ALA A 134 -4.784 -9.319 6.659 1.00 0.25 H new ATOM 0 HB3 ALA A 134 -4.918 -10.064 8.270 1.00 0.25 H new ATOM 2099 N ARG A 135 -3.982 -12.898 8.614 1.00 0.24 N ATOM 2100 CA ARG A 135 -3.397 -13.784 9.609 1.00 0.30 C ATOM 2101 C ARG A 135 -2.642 -14.938 8.956 1.00 0.25 C ATOM 2102 O ARG A 135 -1.534 -15.272 9.371 1.00 0.28 O ATOM 2103 CB ARG A 135 -4.488 -14.330 10.527 1.00 0.41 C ATOM 2104 CG ARG A 135 -3.955 -15.186 11.664 1.00 1.21 C ATOM 2105 CD ARG A 135 -5.077 -15.721 12.533 1.00 1.34 C ATOM 2106 NE ARG A 135 -5.998 -14.669 12.942 1.00 1.20 N ATOM 2107 CZ ARG A 135 -7.253 -14.892 13.321 1.00 1.04 C ATOM 2108 NH1 ARG A 135 -7.724 -16.130 13.343 1.00 1.54 N ATOM 2109 NH2 ARG A 135 -8.029 -13.872 13.660 1.00 1.43 N ATOM 0 H ARG A 135 -5.001 -12.868 8.630 1.00 0.24 H new ATOM 0 HA ARG A 135 -2.683 -13.204 10.195 1.00 0.30 H new ATOM 0 HB2 ARG A 135 -5.051 -13.495 10.945 1.00 0.41 H new ATOM 0 HB3 ARG A 135 -5.187 -14.921 9.935 1.00 0.41 H new ATOM 0 HG2 ARG A 135 -3.382 -16.018 11.256 1.00 1.21 H new ATOM 0 HG3 ARG A 135 -3.271 -14.596 12.274 1.00 1.21 H new ATOM 0 HD2 ARG A 135 -5.624 -16.490 11.987 1.00 1.34 H new ATOM 0 HD3 ARG A 135 -4.655 -16.198 13.418 1.00 1.34 H new ATOM 0 HE ARG A 135 -5.661 -13.706 12.937 1.00 1.20 H new ATOM 0 HH11 ARG A 135 -7.124 -16.909 13.070 1.00 1.54 H new ATOM 0 HH12 ARG A 135 -8.686 -16.305 13.633 1.00 1.54 H new ATOM 0 HH21 ARG A 135 -7.663 -12.920 13.630 1.00 1.43 H new ATOM 0 HH22 ARG A 135 -8.992 -14.039 13.951 1.00 1.43 H new ATOM 2123 N SER A 136 -3.230 -15.537 7.924 1.00 0.30 N ATOM 2124 CA SER A 136 -2.599 -16.655 7.234 1.00 0.34 C ATOM 2125 C SER A 136 -1.337 -16.216 6.489 1.00 0.29 C ATOM 2126 O SER A 136 -0.506 -17.046 6.119 1.00 0.36 O ATOM 2127 CB SER A 136 -3.592 -17.315 6.279 1.00 0.43 C ATOM 2128 OG SER A 136 -4.639 -16.423 5.931 1.00 0.68 O ATOM 0 H SER A 136 -4.139 -15.267 7.549 1.00 0.30 H new ATOM 0 HA SER A 136 -2.296 -17.385 7.984 1.00 0.34 H new ATOM 0 HB2 SER A 136 -3.073 -17.640 5.377 1.00 0.43 H new ATOM 0 HB3 SER A 136 -4.010 -18.207 6.745 1.00 0.43 H new ATOM 0 HG SER A 136 -4.258 -15.568 5.641 1.00 0.68 H new ATOM 2134 N TYR A 137 -1.212 -14.914 6.263 1.00 0.27 N ATOM 2135 CA TYR A 137 -0.046 -14.357 5.585 1.00 0.26 C ATOM 2136 C TYR A 137 0.920 -13.762 6.602 1.00 0.25 C ATOM 2137 O TYR A 137 2.034 -13.365 6.261 1.00 0.38 O ATOM 2138 CB TYR A 137 -0.457 -13.284 4.575 1.00 0.30 C ATOM 2139 CG TYR A 137 -1.100 -13.823 3.310 1.00 0.38 C ATOM 2140 CD1 TYR A 137 -0.744 -15.065 2.789 1.00 0.66 C ATOM 2141 CD2 TYR A 137 -2.062 -13.087 2.635 1.00 0.54 C ATOM 2142 CE1 TYR A 137 -1.329 -15.550 1.634 1.00 0.74 C ATOM 2143 CE2 TYR A 137 -2.651 -13.572 1.479 1.00 0.65 C ATOM 2144 CZ TYR A 137 -2.280 -14.803 0.986 1.00 0.63 C ATOM 2145 OH TYR A 137 -2.858 -15.284 -0.167 1.00 0.77 O ATOM 0 H TYR A 137 -1.907 -14.221 6.540 1.00 0.27 H new ATOM 0 HA TYR A 137 0.448 -15.166 5.047 1.00 0.26 H new ATOM 0 HB2 TYR A 137 -1.153 -12.597 5.057 1.00 0.30 H new ATOM 0 HB3 TYR A 137 0.425 -12.704 4.301 1.00 0.30 H new ATOM 0 HD1 TYR A 137 0.002 -15.659 3.296 1.00 0.66 H new ATOM 0 HD2 TYR A 137 -2.357 -12.121 3.017 1.00 0.54 H new ATOM 0 HE1 TYR A 137 -1.038 -16.514 1.243 1.00 0.74 H new ATOM 0 HE2 TYR A 137 -3.399 -12.986 0.966 1.00 0.65 H new ATOM 0 HH TYR A 137 -3.512 -14.635 -0.501 1.00 0.77 H new ATOM 2155 N GLY A 138 0.476 -13.699 7.851 1.00 0.24 N ATOM 2156 CA GLY A 138 1.301 -13.164 8.914 1.00 0.23 C ATOM 2157 C GLY A 138 1.508 -11.667 8.793 1.00 0.21 C ATOM 2158 O GLY A 138 2.550 -11.144 9.190 1.00 0.25 O ATOM 0 H GLY A 138 -0.449 -14.012 8.147 1.00 0.24 H new ATOM 0 HA2 GLY A 138 0.838 -13.387 9.875 1.00 0.23 H new ATOM 0 HA3 GLY A 138 2.270 -13.663 8.903 1.00 0.23 H new ATOM 2162 N ILE A 139 0.520 -10.974 8.248 1.00 0.19 N ATOM 2163 CA ILE A 139 0.611 -9.537 8.077 1.00 0.20 C ATOM 2164 C ILE A 139 -0.533 -8.839 8.809 1.00 0.19 C ATOM 2165 O ILE A 139 -1.581 -9.445 9.042 1.00 0.22 O ATOM 2166 CB ILE A 139 0.587 -9.142 6.586 1.00 0.23 C ATOM 2167 CG1 ILE A 139 -0.724 -9.584 5.923 1.00 0.26 C ATOM 2168 CG2 ILE A 139 1.782 -9.747 5.861 1.00 0.28 C ATOM 2169 CD1 ILE A 139 -0.942 -8.977 4.555 1.00 0.51 C ATOM 0 H ILE A 139 -0.353 -11.386 7.917 1.00 0.19 H new ATOM 0 HA ILE A 139 1.563 -9.217 8.502 1.00 0.20 H new ATOM 0 HB ILE A 139 0.650 -8.056 6.519 1.00 0.23 H new ATOM 0 HG12 ILE A 139 -0.729 -10.670 5.835 1.00 0.26 H new ATOM 0 HG13 ILE A 139 -1.559 -9.313 6.570 1.00 0.26 H new ATOM 0 HG21 ILE A 139 1.753 -9.461 4.810 1.00 0.28 H new ATOM 0 HG22 ILE A 139 2.704 -9.381 6.312 1.00 0.28 H new ATOM 0 HG23 ILE A 139 1.745 -10.833 5.942 1.00 0.28 H new ATOM 0 HD11 ILE A 139 -1.887 -9.333 4.145 1.00 0.51 H new ATOM 0 HD12 ILE A 139 -0.969 -7.891 4.639 1.00 0.51 H new ATOM 0 HD13 ILE A 139 -0.127 -9.269 3.893 1.00 0.51 H new ATOM 2181 N PRO A 140 -0.339 -7.580 9.225 1.00 0.17 N ATOM 2182 CA PRO A 140 -1.369 -6.805 9.926 1.00 0.19 C ATOM 2183 C PRO A 140 -2.514 -6.371 9.008 1.00 0.16 C ATOM 2184 O PRO A 140 -2.349 -6.268 7.789 1.00 0.19 O ATOM 2185 CB PRO A 140 -0.608 -5.571 10.440 1.00 0.24 C ATOM 2186 CG PRO A 140 0.839 -5.870 10.244 1.00 0.36 C ATOM 2187 CD PRO A 140 0.913 -6.823 9.093 1.00 0.20 C ATOM 0 HA PRO A 140 -1.843 -7.394 10.711 1.00 0.19 H new ATOM 0 HB2 PRO A 140 -0.899 -4.676 9.890 1.00 0.24 H new ATOM 0 HB3 PRO A 140 -0.829 -5.386 11.491 1.00 0.24 H new ATOM 0 HG2 PRO A 140 1.400 -4.960 10.033 1.00 0.36 H new ATOM 0 HG3 PRO A 140 1.271 -6.310 11.143 1.00 0.36 H new ATOM 0 HD2 PRO A 140 0.973 -6.301 8.138 1.00 0.20 H new ATOM 0 HD3 PRO A 140 1.787 -7.471 9.158 1.00 0.20 H new ATOM 2195 N PHE A 141 -3.671 -6.120 9.606 1.00 0.19 N ATOM 2196 CA PHE A 141 -4.844 -5.674 8.873 1.00 0.19 C ATOM 2197 C PHE A 141 -5.414 -4.420 9.534 1.00 0.19 C ATOM 2198 O PHE A 141 -5.769 -4.443 10.715 1.00 0.23 O ATOM 2199 CB PHE A 141 -5.906 -6.781 8.818 1.00 0.25 C ATOM 2200 CG PHE A 141 -7.274 -6.284 8.437 1.00 0.27 C ATOM 2201 CD1 PHE A 141 -7.487 -5.675 7.211 1.00 0.27 C ATOM 2202 CD2 PHE A 141 -8.340 -6.412 9.312 1.00 0.34 C ATOM 2203 CE1 PHE A 141 -8.738 -5.201 6.864 1.00 0.31 C ATOM 2204 CE2 PHE A 141 -9.593 -5.943 8.971 1.00 0.38 C ATOM 2205 CZ PHE A 141 -9.793 -5.334 7.746 1.00 0.35 C ATOM 0 H PHE A 141 -3.821 -6.220 10.610 1.00 0.19 H new ATOM 0 HA PHE A 141 -4.551 -5.439 7.850 1.00 0.19 H new ATOM 0 HB2 PHE A 141 -5.591 -7.540 8.101 1.00 0.25 H new ATOM 0 HB3 PHE A 141 -5.963 -7.267 9.792 1.00 0.25 H new ATOM 0 HD1 PHE A 141 -6.665 -5.569 6.518 1.00 0.27 H new ATOM 0 HD2 PHE A 141 -8.189 -6.884 10.272 1.00 0.34 H new ATOM 0 HE1 PHE A 141 -8.891 -4.728 5.905 1.00 0.31 H new ATOM 0 HE2 PHE A 141 -10.417 -6.052 9.661 1.00 0.38 H new ATOM 0 HZ PHE A 141 -10.772 -4.963 7.479 1.00 0.35 H new ATOM 2215 N ILE A 142 -5.487 -3.330 8.785 1.00 0.18 N ATOM 2216 CA ILE A 142 -6.001 -2.074 9.314 1.00 0.21 C ATOM 2217 C ILE A 142 -7.012 -1.447 8.354 1.00 0.19 C ATOM 2218 O ILE A 142 -6.825 -1.473 7.138 1.00 0.20 O ATOM 2219 CB ILE A 142 -4.853 -1.067 9.585 1.00 0.28 C ATOM 2220 CG1 ILE A 142 -3.853 -1.657 10.589 1.00 0.38 C ATOM 2221 CG2 ILE A 142 -5.410 0.253 10.107 1.00 0.40 C ATOM 2222 CD1 ILE A 142 -2.650 -0.777 10.841 1.00 0.54 C ATOM 0 H ILE A 142 -5.197 -3.289 7.808 1.00 0.18 H new ATOM 0 HA ILE A 142 -6.499 -2.302 10.256 1.00 0.21 H new ATOM 0 HB ILE A 142 -4.334 -0.875 8.646 1.00 0.28 H new ATOM 0 HG12 ILE A 142 -4.365 -1.836 11.535 1.00 0.38 H new ATOM 0 HG13 ILE A 142 -3.513 -2.625 10.222 1.00 0.38 H new ATOM 0 HG21 ILE A 142 -4.590 0.947 10.291 1.00 0.40 H new ATOM 0 HG22 ILE A 142 -6.087 0.680 9.367 1.00 0.40 H new ATOM 0 HG23 ILE A 142 -5.952 0.077 11.036 1.00 0.40 H new ATOM 0 HD11 ILE A 142 -1.990 -1.261 11.561 1.00 0.54 H new ATOM 0 HD12 ILE A 142 -2.113 -0.618 9.906 1.00 0.54 H new ATOM 0 HD13 ILE A 142 -2.979 0.183 11.239 1.00 0.54 H new ATOM 2234 N GLU A 143 -8.094 -0.919 8.904 1.00 0.22 N ATOM 2235 CA GLU A 143 -9.119 -0.263 8.105 1.00 0.21 C ATOM 2236 C GLU A 143 -8.835 1.229 8.051 1.00 0.21 C ATOM 2237 O GLU A 143 -8.691 1.872 9.092 1.00 0.27 O ATOM 2238 CB GLU A 143 -10.504 -0.482 8.707 1.00 0.28 C ATOM 2239 CG GLU A 143 -10.987 -1.918 8.652 1.00 0.34 C ATOM 2240 CD GLU A 143 -12.212 -2.141 9.511 1.00 0.54 C ATOM 2241 OE1 GLU A 143 -12.086 -2.801 10.561 1.00 0.87 O ATOM 2242 OE2 GLU A 143 -13.300 -1.635 9.148 1.00 0.88 O ATOM 0 H GLU A 143 -8.286 -0.932 9.906 1.00 0.22 H new ATOM 0 HA GLU A 143 -9.101 -0.691 7.103 1.00 0.21 H new ATOM 0 HB2 GLU A 143 -10.492 -0.154 9.747 1.00 0.28 H new ATOM 0 HB3 GLU A 143 -11.220 0.150 8.182 1.00 0.28 H new ATOM 0 HG2 GLU A 143 -11.216 -2.184 7.620 1.00 0.34 H new ATOM 0 HG3 GLU A 143 -10.188 -2.581 8.982 1.00 0.34 H new ATOM 2249 N THR A 144 -8.771 1.786 6.853 1.00 0.24 N ATOM 2250 CA THR A 144 -8.484 3.202 6.708 1.00 0.27 C ATOM 2251 C THR A 144 -9.470 3.871 5.759 1.00 0.26 C ATOM 2252 O THR A 144 -10.217 3.206 5.041 1.00 0.28 O ATOM 2253 CB THR A 144 -7.045 3.454 6.195 1.00 0.36 C ATOM 2254 OG1 THR A 144 -6.928 3.028 4.837 1.00 0.43 O ATOM 2255 CG2 THR A 144 -6.019 2.714 7.039 1.00 0.36 C ATOM 0 H THR A 144 -8.912 1.285 5.976 1.00 0.24 H new ATOM 0 HA THR A 144 -8.582 3.637 7.703 1.00 0.27 H new ATOM 0 HB THR A 144 -6.850 4.524 6.268 1.00 0.36 H new ATOM 0 HG1 THR A 144 -6.015 3.193 4.520 1.00 0.43 H new ATOM 0 HG21 THR A 144 -5.019 2.912 6.653 1.00 0.36 H new ATOM 0 HG22 THR A 144 -6.083 3.056 8.072 1.00 0.36 H new ATOM 0 HG23 THR A 144 -6.218 1.643 6.998 1.00 0.36 H new ATOM 2263 N SER A 145 -9.474 5.187 5.783 1.00 0.25 N ATOM 2264 CA SER A 145 -10.329 5.972 4.919 1.00 0.26 C ATOM 2265 C SER A 145 -9.598 7.253 4.552 1.00 0.26 C ATOM 2266 O SER A 145 -9.176 8.006 5.430 1.00 0.30 O ATOM 2267 CB SER A 145 -11.669 6.277 5.604 1.00 0.27 C ATOM 2268 OG SER A 145 -12.395 7.283 4.909 1.00 0.33 O ATOM 0 H SER A 145 -8.884 5.743 6.402 1.00 0.25 H new ATOM 0 HA SER A 145 -10.554 5.408 4.014 1.00 0.26 H new ATOM 0 HB2 SER A 145 -12.267 5.367 5.657 1.00 0.27 H new ATOM 0 HB3 SER A 145 -11.489 6.600 6.629 1.00 0.27 H new ATOM 0 HG SER A 145 -13.300 6.960 4.717 1.00 0.33 H new ATOM 2274 N ALA A 146 -9.417 7.484 3.260 1.00 0.33 N ATOM 2275 CA ALA A 146 -8.724 8.674 2.790 1.00 0.34 C ATOM 2276 C ALA A 146 -9.564 9.921 3.030 1.00 0.29 C ATOM 2277 O ALA A 146 -9.082 11.049 2.899 1.00 0.32 O ATOM 2278 CB ALA A 146 -8.393 8.532 1.312 1.00 0.45 C ATOM 0 H ALA A 146 -9.741 6.863 2.518 1.00 0.33 H new ATOM 0 HA ALA A 146 -7.796 8.780 3.352 1.00 0.34 H new ATOM 0 HB1 ALA A 146 -7.874 9.427 0.968 1.00 0.45 H new ATOM 0 HB2 ALA A 146 -7.753 7.662 1.164 1.00 0.45 H new ATOM 0 HB3 ALA A 146 -9.314 8.405 0.743 1.00 0.45 H new ATOM 2284 N LYS A 147 -10.819 9.708 3.395 1.00 0.33 N ATOM 2285 CA LYS A 147 -11.746 10.800 3.641 1.00 0.40 C ATOM 2286 C LYS A 147 -11.692 11.263 5.098 1.00 0.40 C ATOM 2287 O LYS A 147 -11.593 12.458 5.371 1.00 0.52 O ATOM 2288 CB LYS A 147 -13.165 10.348 3.290 1.00 0.50 C ATOM 2289 CG LYS A 147 -14.198 11.466 3.282 1.00 0.75 C ATOM 2290 CD LYS A 147 -15.595 10.910 3.070 1.00 1.10 C ATOM 2291 CE LYS A 147 -16.632 12.015 3.025 1.00 1.04 C ATOM 2292 NZ LYS A 147 -18.014 11.472 2.982 1.00 1.32 N ATOM 0 H LYS A 147 -11.221 8.780 3.528 1.00 0.33 H new ATOM 0 HA LYS A 147 -11.458 11.643 3.013 1.00 0.40 H new ATOM 0 HB2 LYS A 147 -13.150 9.877 2.307 1.00 0.50 H new ATOM 0 HB3 LYS A 147 -13.478 9.586 4.004 1.00 0.50 H new ATOM 0 HG2 LYS A 147 -14.158 12.010 4.225 1.00 0.75 H new ATOM 0 HG3 LYS A 147 -13.962 12.179 2.492 1.00 0.75 H new ATOM 0 HD2 LYS A 147 -15.625 10.344 2.139 1.00 1.10 H new ATOM 0 HD3 LYS A 147 -15.837 10.215 3.874 1.00 1.10 H new ATOM 0 HE2 LYS A 147 -16.520 12.655 3.900 1.00 1.04 H new ATOM 0 HE3 LYS A 147 -16.459 12.640 2.149 1.00 1.04 H new ATOM 0 HZ1 LYS A 147 -18.695 12.258 2.952 1.00 1.32 H new ATOM 0 HZ2 LYS A 147 -18.129 10.882 2.134 1.00 1.32 H new ATOM 0 HZ3 LYS A 147 -18.187 10.896 3.830 1.00 1.32 H new ATOM 2306 N THR A 148 -11.746 10.312 6.025 1.00 0.37 N ATOM 2307 CA THR A 148 -11.745 10.630 7.450 1.00 0.41 C ATOM 2308 C THR A 148 -10.346 10.606 8.054 1.00 0.42 C ATOM 2309 O THR A 148 -10.125 11.137 9.144 1.00 0.49 O ATOM 2310 CB THR A 148 -12.630 9.634 8.227 1.00 0.43 C ATOM 2311 OG1 THR A 148 -12.272 8.291 7.880 1.00 0.40 O ATOM 2312 CG2 THR A 148 -14.099 9.854 7.915 1.00 0.52 C ATOM 0 H THR A 148 -11.791 9.315 5.816 1.00 0.37 H new ATOM 0 HA THR A 148 -12.140 11.642 7.537 1.00 0.41 H new ATOM 0 HB THR A 148 -12.469 9.798 9.292 1.00 0.43 H new ATOM 0 HG1 THR A 148 -12.836 7.663 8.378 1.00 0.40 H new ATOM 0 HG21 THR A 148 -14.701 9.139 8.476 1.00 0.52 H new ATOM 0 HG22 THR A 148 -14.383 10.868 8.197 1.00 0.52 H new ATOM 0 HG23 THR A 148 -14.269 9.714 6.848 1.00 0.52 H new ATOM 2320 N ARG A 149 -9.415 9.975 7.342 1.00 0.39 N ATOM 2321 CA ARG A 149 -8.028 9.839 7.791 1.00 0.46 C ATOM 2322 C ARG A 149 -7.935 8.885 8.985 1.00 0.48 C ATOM 2323 O ARG A 149 -6.967 8.909 9.745 1.00 0.66 O ATOM 2324 CB ARG A 149 -7.398 11.196 8.136 1.00 0.54 C ATOM 2325 CG ARG A 149 -6.761 11.891 6.943 1.00 0.98 C ATOM 2326 CD ARG A 149 -5.804 12.991 7.382 1.00 0.93 C ATOM 2327 NE ARG A 149 -4.504 12.881 6.715 1.00 1.19 N ATOM 2328 CZ ARG A 149 -3.429 12.304 7.265 1.00 1.06 C ATOM 2329 NH1 ARG A 149 -3.501 11.790 8.488 1.00 1.53 N ATOM 2330 NH2 ARG A 149 -2.286 12.233 6.588 1.00 1.39 N ATOM 0 H ARG A 149 -9.599 9.543 6.437 1.00 0.39 H new ATOM 0 HA ARG A 149 -7.461 9.418 6.960 1.00 0.46 H new ATOM 0 HB2 ARG A 149 -8.164 11.846 8.558 1.00 0.54 H new ATOM 0 HB3 ARG A 149 -6.642 11.051 8.908 1.00 0.54 H new ATOM 0 HG2 ARG A 149 -6.224 11.160 6.339 1.00 0.98 H new ATOM 0 HG3 ARG A 149 -7.540 12.316 6.310 1.00 0.98 H new ATOM 0 HD2 ARG A 149 -6.244 13.964 7.163 1.00 0.93 H new ATOM 0 HD3 ARG A 149 -5.664 12.941 8.462 1.00 0.93 H new ATOM 0 HE ARG A 149 -4.413 13.267 5.775 1.00 1.19 H new ATOM 0 HH11 ARG A 149 -4.377 11.835 9.009 1.00 1.53 H new ATOM 0 HH12 ARG A 149 -2.681 11.351 8.906 1.00 1.53 H new ATOM 0 HH21 ARG A 149 -2.226 12.619 5.646 1.00 1.39 H new ATOM 0 HH22 ARG A 149 -1.469 11.792 7.011 1.00 1.39 H new ATOM 2344 N GLN A 150 -8.946 8.032 9.120 1.00 0.40 N ATOM 2345 CA GLN A 150 -9.009 7.054 10.203 1.00 0.42 C ATOM 2346 C GLN A 150 -8.025 5.915 9.962 1.00 0.42 C ATOM 2347 O GLN A 150 -8.098 5.229 8.944 1.00 0.51 O ATOM 2348 CB GLN A 150 -10.427 6.486 10.318 1.00 0.48 C ATOM 2349 CG GLN A 150 -10.552 5.343 11.319 1.00 0.52 C ATOM 2350 CD GLN A 150 -11.687 4.398 10.983 1.00 0.69 C ATOM 2351 OE1 GLN A 150 -12.821 4.584 11.425 1.00 0.87 O ATOM 2352 NE2 GLN A 150 -11.387 3.368 10.201 1.00 0.87 N ATOM 0 H GLN A 150 -9.743 7.998 8.484 1.00 0.40 H new ATOM 0 HA GLN A 150 -8.742 7.559 11.131 1.00 0.42 H new ATOM 0 HB2 GLN A 150 -11.107 7.287 10.608 1.00 0.48 H new ATOM 0 HB3 GLN A 150 -10.748 6.135 9.337 1.00 0.48 H new ATOM 0 HG2 GLN A 150 -9.616 4.785 11.347 1.00 0.52 H new ATOM 0 HG3 GLN A 150 -10.709 5.754 12.316 1.00 0.52 H new ATOM 0 HE21 GLN A 150 -10.434 3.250 9.856 1.00 0.87 H new ATOM 0 HE22 GLN A 150 -12.109 2.694 9.945 1.00 0.87 H new ATOM 2361 N GLY A 151 -7.097 5.739 10.894 1.00 0.42 N ATOM 2362 CA GLY A 151 -6.111 4.674 10.798 1.00 0.51 C ATOM 2363 C GLY A 151 -5.141 4.846 9.646 1.00 0.45 C ATOM 2364 O GLY A 151 -4.321 3.965 9.384 1.00 0.42 O ATOM 0 H GLY A 151 -7.008 6.322 11.726 1.00 0.42 H new ATOM 0 HA2 GLY A 151 -5.549 4.626 11.731 1.00 0.51 H new ATOM 0 HA3 GLY A 151 -6.628 3.721 10.687 1.00 0.51 H new ATOM 2368 N VAL A 152 -5.218 5.981 8.972 1.00 0.49 N ATOM 2369 CA VAL A 152 -4.356 6.262 7.836 1.00 0.50 C ATOM 2370 C VAL A 152 -2.879 6.266 8.241 1.00 0.39 C ATOM 2371 O VAL A 152 -2.095 5.450 7.755 1.00 0.41 O ATOM 2372 CB VAL A 152 -4.734 7.611 7.182 1.00 0.61 C ATOM 2373 CG1 VAL A 152 -3.624 8.141 6.294 1.00 0.74 C ATOM 2374 CG2 VAL A 152 -6.009 7.467 6.374 1.00 0.67 C ATOM 0 H VAL A 152 -5.875 6.729 9.194 1.00 0.49 H new ATOM 0 HA VAL A 152 -4.504 5.465 7.108 1.00 0.50 H new ATOM 0 HB VAL A 152 -4.891 8.328 7.988 1.00 0.61 H new ATOM 0 HG11 VAL A 152 -3.931 9.090 5.855 1.00 0.74 H new ATOM 0 HG12 VAL A 152 -2.723 8.291 6.889 1.00 0.74 H new ATOM 0 HG13 VAL A 152 -3.419 7.423 5.500 1.00 0.74 H new ATOM 0 HG21 VAL A 152 -6.262 8.425 5.920 1.00 0.67 H new ATOM 0 HG22 VAL A 152 -5.862 6.722 5.592 1.00 0.67 H new ATOM 0 HG23 VAL A 152 -6.821 7.150 7.029 1.00 0.67 H new ATOM 2384 N ASP A 153 -2.510 7.165 9.148 1.00 0.37 N ATOM 2385 CA ASP A 153 -1.122 7.274 9.600 1.00 0.38 C ATOM 2386 C ASP A 153 -0.670 5.977 10.248 1.00 0.32 C ATOM 2387 O ASP A 153 0.470 5.547 10.074 1.00 0.33 O ATOM 2388 CB ASP A 153 -0.968 8.424 10.594 1.00 0.51 C ATOM 2389 CG ASP A 153 -1.821 9.624 10.246 1.00 0.87 C ATOM 2390 OD1 ASP A 153 -1.350 10.509 9.498 1.00 1.62 O ATOM 2391 OD2 ASP A 153 -2.977 9.685 10.719 1.00 1.24 O ATOM 0 H ASP A 153 -3.149 7.829 9.585 1.00 0.37 H new ATOM 0 HA ASP A 153 -0.498 7.473 8.728 1.00 0.38 H new ATOM 0 HB2 ASP A 153 -1.234 8.073 11.591 1.00 0.51 H new ATOM 0 HB3 ASP A 153 0.078 8.727 10.631 1.00 0.51 H new ATOM 2396 N ASP A 154 -1.583 5.358 10.984 1.00 0.31 N ATOM 2397 CA ASP A 154 -1.317 4.101 11.678 1.00 0.32 C ATOM 2398 C ASP A 154 -0.854 3.028 10.696 1.00 0.31 C ATOM 2399 O ASP A 154 0.115 2.310 10.952 1.00 0.34 O ATOM 2400 CB ASP A 154 -2.579 3.624 12.408 1.00 0.38 C ATOM 2401 CG ASP A 154 -3.119 4.651 13.386 1.00 0.71 C ATOM 2402 OD1 ASP A 154 -3.675 5.677 12.929 1.00 0.99 O ATOM 2403 OD2 ASP A 154 -3.011 4.432 14.614 1.00 1.00 O ATOM 0 H ASP A 154 -2.530 5.712 11.118 1.00 0.31 H new ATOM 0 HA ASP A 154 -0.523 4.274 12.405 1.00 0.32 H new ATOM 0 HB2 ASP A 154 -3.350 3.388 11.674 1.00 0.38 H new ATOM 0 HB3 ASP A 154 -2.356 2.701 12.944 1.00 0.38 H new ATOM 2408 N ALA A 155 -1.548 2.930 9.567 1.00 0.30 N ATOM 2409 CA ALA A 155 -1.215 1.946 8.539 1.00 0.32 C ATOM 2410 C ALA A 155 0.217 2.125 8.045 1.00 0.29 C ATOM 2411 O ALA A 155 0.981 1.161 7.964 1.00 0.31 O ATOM 2412 CB ALA A 155 -2.192 2.039 7.372 1.00 0.37 C ATOM 0 H ALA A 155 -2.347 3.521 9.339 1.00 0.30 H new ATOM 0 HA ALA A 155 -1.297 0.956 8.988 1.00 0.32 H new ATOM 0 HB1 ALA A 155 -1.928 1.299 6.617 1.00 0.37 H new ATOM 0 HB2 ALA A 155 -3.204 1.848 7.729 1.00 0.37 H new ATOM 0 HB3 ALA A 155 -2.143 3.036 6.935 1.00 0.37 H new ATOM 2418 N PHE A 156 0.580 3.367 7.734 1.00 0.28 N ATOM 2419 CA PHE A 156 1.917 3.675 7.244 1.00 0.30 C ATOM 2420 C PHE A 156 2.969 3.384 8.310 1.00 0.29 C ATOM 2421 O PHE A 156 4.008 2.786 8.023 1.00 0.33 O ATOM 2422 CB PHE A 156 2.004 5.138 6.802 1.00 0.36 C ATOM 2423 CG PHE A 156 1.119 5.461 5.631 1.00 0.55 C ATOM 2424 CD1 PHE A 156 1.390 4.944 4.376 1.00 1.21 C ATOM 2425 CD2 PHE A 156 0.016 6.280 5.786 1.00 0.92 C ATOM 2426 CE1 PHE A 156 0.575 5.235 3.298 1.00 1.46 C ATOM 2427 CE2 PHE A 156 -0.803 6.577 4.711 1.00 1.05 C ATOM 2428 CZ PHE A 156 -0.523 6.053 3.465 1.00 1.11 C ATOM 0 H PHE A 156 -0.036 4.176 7.814 1.00 0.28 H new ATOM 0 HA PHE A 156 2.115 3.036 6.383 1.00 0.30 H new ATOM 0 HB2 PHE A 156 1.734 5.780 7.640 1.00 0.36 H new ATOM 0 HB3 PHE A 156 3.037 5.371 6.543 1.00 0.36 H new ATOM 0 HD1 PHE A 156 2.249 4.305 4.237 1.00 1.21 H new ATOM 0 HD2 PHE A 156 -0.209 6.693 6.758 1.00 0.92 H new ATOM 0 HE1 PHE A 156 0.798 4.822 2.325 1.00 1.46 H new ATOM 0 HE2 PHE A 156 -1.661 7.219 4.847 1.00 1.05 H new ATOM 0 HZ PHE A 156 -1.161 6.283 2.624 1.00 1.11 H new ATOM 2438 N TYR A 157 2.686 3.796 9.541 1.00 0.29 N ATOM 2439 CA TYR A 157 3.604 3.585 10.657 1.00 0.34 C ATOM 2440 C TYR A 157 3.871 2.102 10.881 1.00 0.32 C ATOM 2441 O TYR A 157 4.992 1.705 11.208 1.00 0.35 O ATOM 2442 CB TYR A 157 3.046 4.205 11.942 1.00 0.43 C ATOM 2443 CG TYR A 157 3.085 5.721 11.979 1.00 0.47 C ATOM 2444 CD1 TYR A 157 4.067 6.440 11.305 1.00 0.86 C ATOM 2445 CD2 TYR A 157 2.138 6.432 12.702 1.00 0.88 C ATOM 2446 CE1 TYR A 157 4.101 7.820 11.356 1.00 0.98 C ATOM 2447 CE2 TYR A 157 2.165 7.813 12.754 1.00 0.98 C ATOM 2448 CZ TYR A 157 3.148 8.502 12.079 1.00 0.79 C ATOM 2449 OH TYR A 157 3.182 9.876 12.136 1.00 0.99 O ATOM 0 H TYR A 157 1.824 4.280 9.793 1.00 0.29 H new ATOM 0 HA TYR A 157 4.545 4.073 10.402 1.00 0.34 H new ATOM 0 HB2 TYR A 157 2.014 3.878 12.070 1.00 0.43 H new ATOM 0 HB3 TYR A 157 3.610 3.819 12.791 1.00 0.43 H new ATOM 0 HD1 TYR A 157 4.815 5.911 10.733 1.00 0.86 H new ATOM 0 HD2 TYR A 157 1.366 5.897 13.234 1.00 0.88 H new ATOM 0 HE1 TYR A 157 4.873 8.362 10.830 1.00 0.98 H new ATOM 0 HE2 TYR A 157 1.419 8.349 13.321 1.00 0.98 H new ATOM 0 HH TYR A 157 2.438 10.199 12.686 1.00 0.99 H new ATOM 2459 N THR A 158 2.841 1.288 10.693 1.00 0.29 N ATOM 2460 CA THR A 158 2.962 -0.148 10.881 1.00 0.28 C ATOM 2461 C THR A 158 3.911 -0.765 9.856 1.00 0.25 C ATOM 2462 O THR A 158 4.873 -1.428 10.226 1.00 0.29 O ATOM 2463 CB THR A 158 1.587 -0.843 10.807 1.00 0.29 C ATOM 2464 OG1 THR A 158 0.658 -0.158 11.656 1.00 0.30 O ATOM 2465 CG2 THR A 158 1.687 -2.298 11.236 1.00 0.34 C ATOM 0 H THR A 158 1.912 1.600 10.410 1.00 0.29 H new ATOM 0 HA THR A 158 3.377 -0.305 11.877 1.00 0.28 H new ATOM 0 HB THR A 158 1.241 -0.811 9.774 1.00 0.29 H new ATOM 0 HG1 THR A 158 0.226 0.564 11.153 1.00 0.30 H new ATOM 0 HG21 THR A 158 0.704 -2.764 11.174 1.00 0.34 H new ATOM 0 HG22 THR A 158 2.380 -2.824 10.579 1.00 0.34 H new ATOM 0 HG23 THR A 158 2.050 -2.351 12.263 1.00 0.34 H new ATOM 2473 N LEU A 159 3.659 -0.514 8.572 1.00 0.23 N ATOM 2474 CA LEU A 159 4.496 -1.068 7.508 1.00 0.23 C ATOM 2475 C LEU A 159 5.956 -0.650 7.682 1.00 0.22 C ATOM 2476 O LEU A 159 6.870 -1.428 7.406 1.00 0.21 O ATOM 2477 CB LEU A 159 3.978 -0.641 6.128 1.00 0.25 C ATOM 2478 CG LEU A 159 4.668 -1.314 4.930 1.00 0.28 C ATOM 2479 CD1 LEU A 159 4.785 -2.815 5.140 1.00 0.40 C ATOM 2480 CD2 LEU A 159 3.912 -1.020 3.646 1.00 0.42 C ATOM 0 H LEU A 159 2.887 0.066 8.244 1.00 0.23 H new ATOM 0 HA LEU A 159 4.443 -2.155 7.576 1.00 0.23 H new ATOM 0 HB2 LEU A 159 2.910 -0.853 6.077 1.00 0.25 H new ATOM 0 HB3 LEU A 159 4.093 0.439 6.033 1.00 0.25 H new ATOM 0 HG LEU A 159 5.674 -0.902 4.847 1.00 0.28 H new ATOM 0 HD11 LEU A 159 5.277 -3.266 4.278 1.00 0.40 H new ATOM 0 HD12 LEU A 159 5.372 -3.012 6.037 1.00 0.40 H new ATOM 0 HD13 LEU A 159 3.790 -3.245 5.256 1.00 0.40 H new ATOM 0 HD21 LEU A 159 4.415 -1.504 2.809 1.00 0.42 H new ATOM 0 HD22 LEU A 159 2.894 -1.401 3.728 1.00 0.42 H new ATOM 0 HD23 LEU A 159 3.884 0.057 3.479 1.00 0.42 H new ATOM 2492 N VAL A 160 6.171 0.571 8.157 1.00 0.26 N ATOM 2493 CA VAL A 160 7.517 1.085 8.381 1.00 0.29 C ATOM 2494 C VAL A 160 8.282 0.191 9.354 1.00 0.27 C ATOM 2495 O VAL A 160 9.466 -0.100 9.155 1.00 0.28 O ATOM 2496 CB VAL A 160 7.477 2.531 8.927 1.00 0.37 C ATOM 2497 CG1 VAL A 160 8.828 2.950 9.484 1.00 0.55 C ATOM 2498 CG2 VAL A 160 7.028 3.499 7.843 1.00 0.34 C ATOM 0 H VAL A 160 5.427 1.226 8.395 1.00 0.26 H new ATOM 0 HA VAL A 160 8.031 1.088 7.420 1.00 0.29 H new ATOM 0 HB VAL A 160 6.755 2.558 9.743 1.00 0.37 H new ATOM 0 HG11 VAL A 160 8.766 3.971 9.860 1.00 0.55 H new ATOM 0 HG12 VAL A 160 9.110 2.281 10.297 1.00 0.55 H new ATOM 0 HG13 VAL A 160 9.579 2.899 8.695 1.00 0.55 H new ATOM 0 HG21 VAL A 160 7.006 4.512 8.246 1.00 0.34 H new ATOM 0 HG22 VAL A 160 7.725 3.457 7.006 1.00 0.34 H new ATOM 0 HG23 VAL A 160 6.031 3.223 7.499 1.00 0.34 H new ATOM 2508 N ARG A 161 7.591 -0.264 10.390 1.00 0.26 N ATOM 2509 CA ARG A 161 8.203 -1.116 11.397 1.00 0.28 C ATOM 2510 C ARG A 161 8.313 -2.559 10.911 1.00 0.23 C ATOM 2511 O ARG A 161 9.234 -3.281 11.298 1.00 0.23 O ATOM 2512 CB ARG A 161 7.413 -1.042 12.699 1.00 0.37 C ATOM 2513 CG ARG A 161 7.543 0.309 13.382 1.00 0.51 C ATOM 2514 CD ARG A 161 6.553 0.473 14.519 1.00 0.61 C ATOM 2515 NE ARG A 161 6.617 1.809 15.107 1.00 0.64 N ATOM 2516 CZ ARG A 161 5.546 2.508 15.491 1.00 0.76 C ATOM 2517 NH1 ARG A 161 4.328 1.999 15.352 1.00 0.82 N ATOM 2518 NH2 ARG A 161 5.693 3.710 16.018 1.00 0.90 N ATOM 0 H ARG A 161 6.606 -0.057 10.554 1.00 0.26 H new ATOM 0 HA ARG A 161 9.214 -0.753 11.580 1.00 0.28 H new ATOM 0 HB2 ARG A 161 6.361 -1.242 12.494 1.00 0.37 H new ATOM 0 HB3 ARG A 161 7.760 -1.823 13.376 1.00 0.37 H new ATOM 0 HG2 ARG A 161 8.557 0.424 13.766 1.00 0.51 H new ATOM 0 HG3 ARG A 161 7.387 1.101 12.650 1.00 0.51 H new ATOM 0 HD2 ARG A 161 5.544 0.286 14.152 1.00 0.61 H new ATOM 0 HD3 ARG A 161 6.756 -0.272 15.288 1.00 0.61 H new ATOM 0 HE ARG A 161 7.536 2.234 15.232 1.00 0.64 H new ATOM 0 HH11 ARG A 161 4.207 1.069 14.950 1.00 0.82 H new ATOM 0 HH12 ARG A 161 3.514 2.537 15.647 1.00 0.82 H new ATOM 0 HH21 ARG A 161 6.626 4.106 16.132 1.00 0.90 H new ATOM 0 HH22 ARG A 161 4.874 4.242 16.311 1.00 0.90 H new ATOM 2532 N GLU A 162 7.379 -2.970 10.058 1.00 0.22 N ATOM 2533 CA GLU A 162 7.390 -4.325 9.509 1.00 0.22 C ATOM 2534 C GLU A 162 8.660 -4.543 8.693 1.00 0.21 C ATOM 2535 O GLU A 162 9.286 -5.606 8.763 1.00 0.25 O ATOM 2536 CB GLU A 162 6.157 -4.585 8.627 1.00 0.25 C ATOM 2537 CG GLU A 162 4.826 -4.417 9.347 1.00 0.31 C ATOM 2538 CD GLU A 162 4.790 -5.091 10.708 1.00 0.52 C ATOM 2539 OE1 GLU A 162 4.429 -6.284 10.785 1.00 0.73 O ATOM 2540 OE2 GLU A 162 5.114 -4.428 11.713 1.00 0.68 O ATOM 0 H GLU A 162 6.607 -2.388 9.732 1.00 0.22 H new ATOM 0 HA GLU A 162 7.363 -5.025 10.344 1.00 0.22 H new ATOM 0 HB2 GLU A 162 6.184 -3.906 7.775 1.00 0.25 H new ATOM 0 HB3 GLU A 162 6.216 -5.598 8.229 1.00 0.25 H new ATOM 0 HG2 GLU A 162 4.619 -3.354 9.470 1.00 0.31 H new ATOM 0 HG3 GLU A 162 4.030 -4.827 8.725 1.00 0.31 H new ATOM 2547 N ILE A 163 9.037 -3.522 7.928 1.00 0.20 N ATOM 2548 CA ILE A 163 10.240 -3.583 7.109 1.00 0.23 C ATOM 2549 C ILE A 163 11.472 -3.726 7.996 1.00 0.22 C ATOM 2550 O ILE A 163 12.355 -4.541 7.722 1.00 0.22 O ATOM 2551 CB ILE A 163 10.405 -2.326 6.226 1.00 0.29 C ATOM 2552 CG1 ILE A 163 9.137 -2.062 5.413 1.00 0.27 C ATOM 2553 CG2 ILE A 163 11.595 -2.497 5.297 1.00 0.42 C ATOM 2554 CD1 ILE A 163 9.188 -0.779 4.607 1.00 0.31 C ATOM 0 H ILE A 163 8.525 -2.643 7.859 1.00 0.20 H new ATOM 0 HA ILE A 163 10.139 -4.451 6.457 1.00 0.23 H new ATOM 0 HB ILE A 163 10.579 -1.469 6.876 1.00 0.29 H new ATOM 0 HG12 ILE A 163 8.969 -2.900 4.736 1.00 0.27 H new ATOM 0 HG13 ILE A 163 8.283 -2.022 6.090 1.00 0.27 H new ATOM 0 HG21 ILE A 163 11.704 -1.606 4.678 1.00 0.42 H new ATOM 0 HG22 ILE A 163 12.500 -2.642 5.887 1.00 0.42 H new ATOM 0 HG23 ILE A 163 11.436 -3.366 4.658 1.00 0.42 H new ATOM 0 HD11 ILE A 163 8.255 -0.658 4.056 1.00 0.31 H new ATOM 0 HD12 ILE A 163 9.325 0.068 5.279 1.00 0.31 H new ATOM 0 HD13 ILE A 163 10.021 -0.823 3.905 1.00 0.31 H new ATOM 2566 N ARG A 164 11.505 -2.944 9.070 1.00 0.22 N ATOM 2567 CA ARG A 164 12.622 -2.964 10.008 1.00 0.23 C ATOM 2568 C ARG A 164 12.844 -4.362 10.564 1.00 0.23 C ATOM 2569 O ARG A 164 13.962 -4.873 10.542 1.00 0.25 O ATOM 2570 CB ARG A 164 12.385 -1.989 11.163 1.00 0.26 C ATOM 2571 CG ARG A 164 12.503 -0.526 10.773 1.00 0.33 C ATOM 2572 CD ARG A 164 12.343 0.371 11.986 1.00 0.42 C ATOM 2573 NE ARG A 164 12.368 1.790 11.642 1.00 0.55 N ATOM 2574 CZ ARG A 164 11.890 2.750 12.429 1.00 0.66 C ATOM 2575 NH1 ARG A 164 11.353 2.437 13.608 1.00 0.69 N ATOM 2576 NH2 ARG A 164 11.960 4.021 12.048 1.00 0.87 N ATOM 0 H ARG A 164 10.766 -2.284 9.313 1.00 0.22 H new ATOM 0 HA ARG A 164 13.512 -2.656 9.459 1.00 0.23 H new ATOM 0 HB2 ARG A 164 11.391 -2.165 11.575 1.00 0.26 H new ATOM 0 HB3 ARG A 164 13.101 -2.201 11.957 1.00 0.26 H new ATOM 0 HG2 ARG A 164 13.472 -0.346 10.308 1.00 0.33 H new ATOM 0 HG3 ARG A 164 11.743 -0.281 10.031 1.00 0.33 H new ATOM 0 HD2 ARG A 164 11.402 0.138 12.484 1.00 0.42 H new ATOM 0 HD3 ARG A 164 13.141 0.159 12.698 1.00 0.42 H new ATOM 0 HE ARG A 164 12.775 2.061 10.747 1.00 0.55 H new ATOM 0 HH11 ARG A 164 11.309 1.462 13.906 1.00 0.69 H new ATOM 0 HH12 ARG A 164 10.986 3.172 14.213 1.00 0.69 H new ATOM 0 HH21 ARG A 164 12.381 4.262 11.151 1.00 0.87 H new ATOM 0 HH22 ARG A 164 11.593 4.756 12.653 1.00 0.87 H new ATOM 2590 N LYS A 165 11.768 -4.987 11.036 1.00 0.27 N ATOM 2591 CA LYS A 165 11.840 -6.331 11.608 1.00 0.32 C ATOM 2592 C LYS A 165 12.420 -7.333 10.616 1.00 0.31 C ATOM 2593 O LYS A 165 13.129 -8.257 11.006 1.00 0.33 O ATOM 2594 CB LYS A 165 10.461 -6.792 12.073 1.00 0.43 C ATOM 2595 CG LYS A 165 10.090 -6.290 13.462 1.00 0.87 C ATOM 2596 CD LYS A 165 8.660 -6.655 13.828 1.00 0.97 C ATOM 2597 CE LYS A 165 7.655 -5.959 12.922 1.00 0.74 C ATOM 2598 NZ LYS A 165 6.279 -6.000 13.485 1.00 0.80 N ATOM 0 H LYS A 165 10.832 -4.583 11.034 1.00 0.27 H new ATOM 0 HA LYS A 165 12.508 -6.284 12.468 1.00 0.32 H new ATOM 0 HB2 LYS A 165 9.712 -6.449 11.359 1.00 0.43 H new ATOM 0 HB3 LYS A 165 10.430 -7.882 12.069 1.00 0.43 H new ATOM 0 HG2 LYS A 165 10.774 -6.715 14.197 1.00 0.87 H new ATOM 0 HG3 LYS A 165 10.211 -5.207 13.502 1.00 0.87 H new ATOM 0 HD2 LYS A 165 8.529 -7.735 13.755 1.00 0.97 H new ATOM 0 HD3 LYS A 165 8.468 -6.380 14.865 1.00 0.97 H new ATOM 0 HE2 LYS A 165 7.956 -4.922 12.775 1.00 0.74 H new ATOM 0 HE3 LYS A 165 7.660 -6.435 11.941 1.00 0.74 H new ATOM 0 HZ1 LYS A 165 5.716 -5.224 13.082 1.00 0.80 H new ATOM 0 HZ2 LYS A 165 5.834 -6.910 13.248 1.00 0.80 H new ATOM 0 HZ3 LYS A 165 6.324 -5.895 14.519 1.00 0.80 H new ATOM 2612 N HIS A 166 12.125 -7.138 9.337 1.00 0.31 N ATOM 2613 CA HIS A 166 12.617 -8.025 8.292 1.00 0.32 C ATOM 2614 C HIS A 166 14.098 -7.777 8.028 1.00 0.29 C ATOM 2615 O HIS A 166 14.858 -8.713 7.783 1.00 0.34 O ATOM 2616 CB HIS A 166 11.807 -7.821 7.001 1.00 0.37 C ATOM 2617 CG HIS A 166 12.265 -8.664 5.844 1.00 0.46 C ATOM 2618 ND1 HIS A 166 11.693 -9.872 5.508 1.00 0.60 N ATOM 2619 CD2 HIS A 166 13.255 -8.462 4.946 1.00 0.54 C ATOM 2620 CE1 HIS A 166 12.315 -10.373 4.455 1.00 0.71 C ATOM 2621 NE2 HIS A 166 13.266 -9.536 4.100 1.00 0.67 N ATOM 0 H HIS A 166 11.545 -6.370 8.998 1.00 0.31 H new ATOM 0 HA HIS A 166 12.495 -9.055 8.628 1.00 0.32 H new ATOM 0 HB2 HIS A 166 10.759 -8.042 7.204 1.00 0.37 H new ATOM 0 HB3 HIS A 166 11.861 -6.771 6.714 1.00 0.37 H new ATOM 0 HD1 HIS A 166 10.912 -10.311 5.996 1.00 0.60 H new ATOM 0 HD2 HIS A 166 13.916 -7.609 4.904 1.00 0.54 H new ATOM 0 HE1 HIS A 166 12.082 -11.309 3.969 1.00 0.71 H new ATOM 2630 N LYS A 167 14.504 -6.521 8.092 1.00 0.27 N ATOM 2631 CA LYS A 167 15.889 -6.153 7.833 1.00 0.30 C ATOM 2632 C LYS A 167 16.799 -6.504 9.004 1.00 0.29 C ATOM 2633 O LYS A 167 17.964 -6.846 8.804 1.00 0.40 O ATOM 2634 CB LYS A 167 15.983 -4.665 7.516 1.00 0.37 C ATOM 2635 CG LYS A 167 15.169 -4.274 6.298 1.00 0.45 C ATOM 2636 CD LYS A 167 15.171 -2.772 6.079 1.00 0.62 C ATOM 2637 CE LYS A 167 16.462 -2.289 5.436 1.00 1.11 C ATOM 2638 NZ LYS A 167 16.311 -0.932 4.852 1.00 0.97 N ATOM 0 H LYS A 167 13.895 -5.736 8.321 1.00 0.27 H new ATOM 0 HA LYS A 167 16.230 -6.728 6.972 1.00 0.30 H new ATOM 0 HB2 LYS A 167 15.639 -4.092 8.377 1.00 0.37 H new ATOM 0 HB3 LYS A 167 17.027 -4.398 7.351 1.00 0.37 H new ATOM 0 HG2 LYS A 167 15.573 -4.771 5.416 1.00 0.45 H new ATOM 0 HG3 LYS A 167 14.143 -4.623 6.419 1.00 0.45 H new ATOM 0 HD2 LYS A 167 14.327 -2.497 5.447 1.00 0.62 H new ATOM 0 HD3 LYS A 167 15.031 -2.267 7.035 1.00 0.62 H new ATOM 0 HE2 LYS A 167 17.258 -2.278 6.181 1.00 1.11 H new ATOM 0 HE3 LYS A 167 16.764 -2.989 4.657 1.00 1.11 H new ATOM 0 HZ1 LYS A 167 17.250 -0.506 4.716 1.00 0.97 H new ATOM 0 HZ2 LYS A 167 15.826 -1.001 3.934 1.00 0.97 H new ATOM 0 HZ3 LYS A 167 15.751 -0.337 5.496 1.00 0.97 H new ATOM 2652 N GLU A 168 16.272 -6.423 10.219 1.00 0.26 N ATOM 2653 CA GLU A 168 17.057 -6.740 11.406 1.00 0.29 C ATOM 2654 C GLU A 168 16.884 -8.207 11.793 1.00 0.33 C ATOM 2655 O GLU A 168 17.365 -8.648 12.840 1.00 0.47 O ATOM 2656 CB GLU A 168 16.681 -5.818 12.576 1.00 0.35 C ATOM 2657 CG GLU A 168 15.271 -6.023 13.112 1.00 0.42 C ATOM 2658 CD GLU A 168 15.012 -5.243 14.386 1.00 0.63 C ATOM 2659 OE1 GLU A 168 15.111 -5.834 15.478 1.00 0.94 O ATOM 2660 OE2 GLU A 168 14.712 -4.032 14.301 1.00 1.12 O ATOM 0 H GLU A 168 15.310 -6.142 10.409 1.00 0.26 H new ATOM 0 HA GLU A 168 18.108 -6.572 11.171 1.00 0.29 H new ATOM 0 HB2 GLU A 168 17.391 -5.974 13.388 1.00 0.35 H new ATOM 0 HB3 GLU A 168 16.787 -4.782 12.254 1.00 0.35 H new ATOM 0 HG2 GLU A 168 14.550 -5.721 12.352 1.00 0.42 H new ATOM 0 HG3 GLU A 168 15.109 -7.084 13.301 1.00 0.42 H new ATOM 2667 N LYS A 169 16.207 -8.960 10.938 1.00 0.34 N ATOM 2668 CA LYS A 169 15.975 -10.376 11.181 1.00 0.41 C ATOM 2669 C LYS A 169 17.176 -11.189 10.724 1.00 0.59 C ATOM 2670 O LYS A 169 17.440 -11.219 9.502 1.00 0.72 O ATOM 2671 CB LYS A 169 14.717 -10.845 10.449 1.00 0.43 C ATOM 2672 CG LYS A 169 14.214 -12.203 10.905 1.00 0.69 C ATOM 2673 CD LYS A 169 12.973 -12.624 10.136 1.00 0.81 C ATOM 2674 CE LYS A 169 12.157 -13.643 10.911 1.00 1.07 C ATOM 2675 NZ LYS A 169 11.617 -13.072 12.175 1.00 1.47 N ATOM 2676 OXT LYS A 169 17.854 -11.792 11.584 1.00 0.82 O ATOM 0 H LYS A 169 15.807 -8.612 10.066 1.00 0.34 H new ATOM 0 HA LYS A 169 15.832 -10.525 12.251 1.00 0.41 H new ATOM 0 HB2 LYS A 169 13.927 -10.108 10.594 1.00 0.43 H new ATOM 0 HB3 LYS A 169 14.924 -10.885 9.379 1.00 0.43 H new ATOM 0 HG2 LYS A 169 14.998 -12.947 10.768 1.00 0.69 H new ATOM 0 HG3 LYS A 169 13.989 -12.170 11.971 1.00 0.69 H new ATOM 0 HD2 LYS A 169 12.359 -11.748 9.926 1.00 0.81 H new ATOM 0 HD3 LYS A 169 13.265 -13.046 9.174 1.00 0.81 H new ATOM 0 HE2 LYS A 169 11.333 -13.997 10.291 1.00 1.07 H new ATOM 0 HE3 LYS A 169 12.779 -14.509 11.140 1.00 1.07 H new ATOM 0 HZ1 LYS A 169 10.764 -13.596 12.456 1.00 1.47 H new ATOM 0 HZ2 LYS A 169 12.334 -13.149 12.925 1.00 1.47 H new ATOM 0 HZ3 LYS A 169 11.376 -12.071 12.029 1.00 1.47 H new