USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 668 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 3 SER OG : rot 180:sc= 0.0211 USER MOD Set 1.2: A 74 ASN : amide:sc= -0.731 K(o=-0.71,f=-1.6!) USER MOD Set 2.1: A 65 ASN :FLIP amide:sc= 0.0642 F(o=-0.98,f=0.58) USER MOD Set 2.2: A 70 TYR OH : rot 165:sc= 0.521 USER MOD Set 3.1: A 55 GLN : amide:sc= -0.453 X(o=-0.98,f=-1) USER MOD Set 3.2: A 79 HIS : no HD1:sc= -0.53 X(o=-0.98,f=-0.52) USER MOD Set 4.1: A 18 LYS NZ :NH3+ -164:sc= -2.53! (180deg=-2.71!) USER MOD Set 4.2: A 20 ASN : amide:sc= -0.407 X(o=-7.6,f=-7.4) USER MOD Set 4.3: A 22 GLN : amide:sc= -4.7! C(o=-7.6!,f=-12!) USER MOD Single : A 5 LYS NZ :NH3+ -115:sc= -0.197 (180deg=-2.71!) USER MOD Single : A 7 GLN : amide:sc= -0.433 X(o=-0.43,f=0) USER MOD Single : A 10 ASN :FLIP amide:sc= -3.06! C(o=-3.9!,f=-3.1!) USER MOD Single : A 11 MET CE :methyl -146:sc= -0.692 (180deg=-3.48!) USER MOD Single : A 12 GLN :FLIP amide:sc= -0.0309 F(o=-3.1!,f=-0.031) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot -154:sc= 1.4 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.525 USER MOD Single : A 33 GLN :FLIP amide:sc= -0.72 F(o=-2!,f=-0.72) USER MOD Single : A 35 SER OG : rot 180:sc= -0.154 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ -119:sc= -1.78 (180deg=-4.16!) USER MOD Single : A 42 HIS : no HD1:sc=-0.00131 K(o=-0.0013,f=-1.1) USER MOD Single : A 45 THR OG1 : rot -60:sc= -0.732 USER MOD Single : A 47 MET CE :methyl 134:sc= -0.677 (180deg=-3.23!) USER MOD Single : A 51 LYS NZ :NH3+ -176:sc= 1.33 (180deg=1.22) USER MOD Single : A 52 GLN : amide:sc= -2.19 K(o=-2.2,f=-5.2!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00272) USER MOD Single : A 64 SER OG : rot 180:sc= -0.585 USER MOD Single : A 66 SER OG : rot 180:sc=-0.00707 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 ASN :FLIP amide:sc= 0 F(o=-0.76,f=0) USER MOD Single : A 72 MET CE :methyl -126:sc= -1.1 (180deg=-1.79) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 0.794 -0.913 -0.866 1.00 0.00 N ATOM 2 CA PRO A 1 1.801 -0.781 -1.943 1.00 0.00 C ATOM 3 C PRO A 1 1.820 -2.039 -2.802 1.00 0.00 C ATOM 4 O PRO A 1 0.952 -2.898 -2.656 1.00 0.00 O ATOM 5 CB PRO A 1 3.165 -0.545 -1.314 1.00 0.00 C ATOM 6 CG PRO A 1 2.947 -0.876 0.116 1.00 0.00 C ATOM 7 CD PRO A 1 1.490 -0.591 0.395 1.00 0.00 C ATOM 0 H2 PRO A 1 0.412 -1.858 -0.839 1.00 0.00 H new ATOM 0 H3 PRO A 1 0.010 -0.279 -1.021 1.00 0.00 H new ATOM 0 HA PRO A 1 1.546 0.063 -2.584 1.00 0.00 H new ATOM 0 HB2 PRO A 1 3.929 -1.181 -1.761 1.00 0.00 H new ATOM 0 HB3 PRO A 1 3.493 0.486 -1.442 1.00 0.00 H new ATOM 0 HG2 PRO A 1 3.185 -1.921 0.315 1.00 0.00 H new ATOM 0 HG3 PRO A 1 3.591 -0.275 0.758 1.00 0.00 H new ATOM 0 HD2 PRO A 1 1.118 -1.201 1.219 1.00 0.00 H new ATOM 0 HD3 PRO A 1 1.338 0.451 0.676 1.00 0.00 H new ATOM 17 N VAL A 2 2.793 -2.142 -3.699 1.00 0.00 N ATOM 18 CA VAL A 2 2.920 -3.321 -4.545 1.00 0.00 C ATOM 19 C VAL A 2 4.317 -3.907 -4.425 1.00 0.00 C ATOM 20 O VAL A 2 5.270 -3.205 -4.071 1.00 0.00 O ATOM 21 CB VAL A 2 2.617 -3.023 -6.031 1.00 0.00 C ATOM 22 CG1 VAL A 2 1.239 -2.404 -6.189 1.00 0.00 C ATOM 23 CG2 VAL A 2 3.685 -2.131 -6.644 1.00 0.00 C ATOM 0 H VAL A 2 3.502 -1.427 -3.859 1.00 0.00 H new ATOM 0 HA VAL A 2 2.179 -4.039 -4.194 1.00 0.00 H new ATOM 0 HB VAL A 2 2.627 -3.971 -6.569 1.00 0.00 H new ATOM 0 HG11 VAL A 2 1.049 -2.203 -7.243 1.00 0.00 H new ATOM 0 HG12 VAL A 2 0.485 -3.093 -5.809 1.00 0.00 H new ATOM 0 HG13 VAL A 2 1.193 -1.471 -5.628 1.00 0.00 H new ATOM 0 HG21 VAL A 2 3.443 -1.940 -7.690 1.00 0.00 H new ATOM 0 HG22 VAL A 2 3.725 -1.186 -6.102 1.00 0.00 H new ATOM 0 HG23 VAL A 2 4.654 -2.627 -6.580 1.00 0.00 H new ATOM 33 N SER A 3 4.439 -5.187 -4.710 1.00 0.00 N ATOM 34 CA SER A 3 5.714 -5.861 -4.603 1.00 0.00 C ATOM 35 C SER A 3 6.469 -5.798 -5.924 1.00 0.00 C ATOM 36 O SER A 3 6.097 -6.439 -6.908 1.00 0.00 O ATOM 37 CB SER A 3 5.503 -7.307 -4.159 1.00 0.00 C ATOM 38 OG SER A 3 4.482 -7.922 -4.926 1.00 0.00 O ATOM 0 H SER A 3 3.669 -5.781 -5.018 1.00 0.00 H new ATOM 0 HA SER A 3 6.319 -5.354 -3.852 1.00 0.00 H new ATOM 0 HB2 SER A 3 6.433 -7.865 -4.267 1.00 0.00 H new ATOM 0 HB3 SER A 3 5.237 -7.333 -3.102 1.00 0.00 H new ATOM 0 HG SER A 3 4.362 -8.848 -4.629 1.00 0.00 H new ATOM 44 N ILE A 4 7.535 -5.025 -5.936 1.00 0.00 N ATOM 45 CA ILE A 4 8.317 -4.812 -7.140 1.00 0.00 C ATOM 46 C ILE A 4 9.681 -5.465 -7.013 1.00 0.00 C ATOM 47 O ILE A 4 10.239 -5.563 -5.920 1.00 0.00 O ATOM 48 CB ILE A 4 8.491 -3.311 -7.446 1.00 0.00 C ATOM 49 CG1 ILE A 4 8.663 -2.523 -6.155 1.00 0.00 C ATOM 50 CG2 ILE A 4 7.309 -2.778 -8.242 1.00 0.00 C ATOM 51 CD1 ILE A 4 8.954 -1.056 -6.378 1.00 0.00 C ATOM 0 H ILE A 4 7.884 -4.528 -5.117 1.00 0.00 H new ATOM 0 HA ILE A 4 7.771 -5.270 -7.965 1.00 0.00 H new ATOM 0 HB ILE A 4 9.389 -3.189 -8.051 1.00 0.00 H new ATOM 0 HG12 ILE A 4 7.757 -2.619 -5.557 1.00 0.00 H new ATOM 0 HG13 ILE A 4 9.475 -2.962 -5.576 1.00 0.00 H new ATOM 0 HG21 ILE A 4 7.456 -1.717 -8.445 1.00 0.00 H new ATOM 0 HG22 ILE A 4 7.231 -3.320 -9.184 1.00 0.00 H new ATOM 0 HG23 ILE A 4 6.393 -2.914 -7.668 1.00 0.00 H new ATOM 0 HD11 ILE A 4 9.065 -0.557 -5.415 1.00 0.00 H new ATOM 0 HD12 ILE A 4 9.876 -0.951 -6.949 1.00 0.00 H new ATOM 0 HD13 ILE A 4 8.131 -0.602 -6.930 1.00 0.00 H new ATOM 63 N LYS A 5 10.205 -5.932 -8.127 1.00 0.00 N ATOM 64 CA LYS A 5 11.486 -6.605 -8.135 1.00 0.00 C ATOM 65 C LYS A 5 12.384 -6.035 -9.205 1.00 0.00 C ATOM 66 O LYS A 5 11.917 -5.567 -10.240 1.00 0.00 O ATOM 67 CB LYS A 5 11.300 -8.097 -8.371 1.00 0.00 C ATOM 68 CG LYS A 5 10.570 -8.803 -7.247 1.00 0.00 C ATOM 69 CD LYS A 5 9.778 -9.991 -7.757 1.00 0.00 C ATOM 70 CE LYS A 5 8.335 -9.604 -8.045 1.00 0.00 C ATOM 71 NZ LYS A 5 7.602 -9.264 -6.794 1.00 0.00 N ATOM 0 H LYS A 5 9.761 -5.857 -9.042 1.00 0.00 H new ATOM 0 HA LYS A 5 11.953 -6.449 -7.162 1.00 0.00 H new ATOM 0 HB2 LYS A 5 10.748 -8.243 -9.300 1.00 0.00 H new ATOM 0 HB3 LYS A 5 12.278 -8.560 -8.505 1.00 0.00 H new ATOM 0 HG2 LYS A 5 11.289 -9.138 -6.499 1.00 0.00 H new ATOM 0 HG3 LYS A 5 9.898 -8.102 -6.752 1.00 0.00 H new ATOM 0 HD2 LYS A 5 10.242 -10.379 -8.664 1.00 0.00 H new ATOM 0 HD3 LYS A 5 9.802 -10.792 -7.019 1.00 0.00 H new ATOM 0 HE2 LYS A 5 8.314 -8.751 -8.724 1.00 0.00 H new ATOM 0 HE3 LYS A 5 7.831 -10.427 -8.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 6.844 -9.958 -6.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 8.261 -9.282 -5.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 7.188 -8.314 -6.881 1.00 0.00 H new ATOM 85 N VAL A 6 13.669 -6.095 -8.945 1.00 0.00 N ATOM 86 CA VAL A 6 14.672 -5.632 -9.885 1.00 0.00 C ATOM 87 C VAL A 6 15.685 -6.739 -10.116 1.00 0.00 C ATOM 88 O VAL A 6 16.507 -7.038 -9.244 1.00 0.00 O ATOM 89 CB VAL A 6 15.400 -4.360 -9.389 1.00 0.00 C ATOM 90 CG1 VAL A 6 16.392 -3.869 -10.433 1.00 0.00 C ATOM 91 CG2 VAL A 6 14.399 -3.263 -9.045 1.00 0.00 C ATOM 0 H VAL A 6 14.053 -6.466 -8.076 1.00 0.00 H new ATOM 0 HA VAL A 6 14.164 -5.374 -10.814 1.00 0.00 H new ATOM 0 HB VAL A 6 15.951 -4.615 -8.484 1.00 0.00 H new ATOM 0 HG11 VAL A 6 16.894 -2.974 -10.066 1.00 0.00 H new ATOM 0 HG12 VAL A 6 17.132 -4.646 -10.626 1.00 0.00 H new ATOM 0 HG13 VAL A 6 15.862 -3.635 -11.356 1.00 0.00 H new ATOM 0 HG21 VAL A 6 14.933 -2.378 -8.699 1.00 0.00 H new ATOM 0 HG22 VAL A 6 13.816 -3.011 -9.931 1.00 0.00 H new ATOM 0 HG23 VAL A 6 13.730 -3.614 -8.259 1.00 0.00 H new ATOM 101 N GLN A 7 15.595 -7.369 -11.272 1.00 0.00 N ATOM 102 CA GLN A 7 16.487 -8.455 -11.620 1.00 0.00 C ATOM 103 C GLN A 7 17.877 -7.908 -11.880 1.00 0.00 C ATOM 104 O GLN A 7 18.106 -7.229 -12.875 1.00 0.00 O ATOM 105 CB GLN A 7 15.963 -9.205 -12.849 1.00 0.00 C ATOM 106 CG GLN A 7 16.087 -10.715 -12.735 1.00 0.00 C ATOM 107 CD GLN A 7 17.517 -11.195 -12.837 1.00 0.00 C ATOM 108 OE1 GLN A 7 17.968 -11.621 -13.898 1.00 0.00 O ATOM 109 NE2 GLN A 7 18.249 -11.056 -11.753 1.00 0.00 N ATOM 0 H GLN A 7 14.907 -7.144 -11.990 1.00 0.00 H new ATOM 0 HA GLN A 7 16.534 -9.159 -10.789 1.00 0.00 H new ATOM 0 HB2 GLN A 7 14.916 -8.945 -13.005 1.00 0.00 H new ATOM 0 HB3 GLN A 7 16.509 -8.869 -13.730 1.00 0.00 H new ATOM 0 HG2 GLN A 7 15.667 -11.039 -11.783 1.00 0.00 H new ATOM 0 HG3 GLN A 7 15.494 -11.184 -13.520 1.00 0.00 H new ATOM 0 HE21 GLN A 7 17.828 -10.698 -10.896 1.00 0.00 H new ATOM 0 HE22 GLN A 7 19.238 -11.306 -11.770 1.00 0.00 H new ATOM 118 N VAL A 8 18.782 -8.191 -10.963 1.00 0.00 N ATOM 119 CA VAL A 8 20.143 -7.711 -11.055 1.00 0.00 C ATOM 120 C VAL A 8 20.949 -8.586 -12.006 1.00 0.00 C ATOM 121 O VAL A 8 20.959 -9.810 -11.872 1.00 0.00 O ATOM 122 CB VAL A 8 20.817 -7.692 -9.666 1.00 0.00 C ATOM 123 CG1 VAL A 8 22.260 -7.245 -9.766 1.00 0.00 C ATOM 124 CG2 VAL A 8 20.042 -6.800 -8.711 1.00 0.00 C ATOM 0 H VAL A 8 18.593 -8.758 -10.137 1.00 0.00 H new ATOM 0 HA VAL A 8 20.115 -6.692 -11.441 1.00 0.00 H new ATOM 0 HB VAL A 8 20.809 -8.708 -9.272 1.00 0.00 H new ATOM 0 HG11 VAL A 8 22.709 -7.241 -8.773 1.00 0.00 H new ATOM 0 HG12 VAL A 8 22.810 -7.931 -10.410 1.00 0.00 H new ATOM 0 HG13 VAL A 8 22.301 -6.240 -10.187 1.00 0.00 H new ATOM 0 HG21 VAL A 8 20.531 -6.798 -7.737 1.00 0.00 H new ATOM 0 HG22 VAL A 8 20.013 -5.784 -9.104 1.00 0.00 H new ATOM 0 HG23 VAL A 8 19.025 -7.177 -8.606 1.00 0.00 H new ATOM 134 N PRO A 9 21.641 -7.972 -12.976 1.00 0.00 N ATOM 135 CA PRO A 9 22.427 -8.709 -13.963 1.00 0.00 C ATOM 136 C PRO A 9 23.606 -9.436 -13.324 1.00 0.00 C ATOM 137 O PRO A 9 24.142 -9.003 -12.296 1.00 0.00 O ATOM 138 CB PRO A 9 22.919 -7.621 -14.925 1.00 0.00 C ATOM 139 CG PRO A 9 22.874 -6.361 -14.133 1.00 0.00 C ATOM 140 CD PRO A 9 21.721 -6.515 -13.181 1.00 0.00 C ATOM 0 HA PRO A 9 21.841 -9.486 -14.455 1.00 0.00 H new ATOM 0 HB2 PRO A 9 23.929 -7.831 -15.276 1.00 0.00 H new ATOM 0 HB3 PRO A 9 22.282 -7.556 -15.807 1.00 0.00 H new ATOM 0 HG2 PRO A 9 23.808 -6.205 -13.593 1.00 0.00 H new ATOM 0 HG3 PRO A 9 22.732 -5.497 -14.782 1.00 0.00 H new ATOM 0 HD2 PRO A 9 21.900 -5.987 -12.245 1.00 0.00 H new ATOM 0 HD3 PRO A 9 20.797 -6.117 -13.601 1.00 0.00 H new ATOM 148 N ASN A 10 23.998 -10.547 -13.922 1.00 0.00 N ATOM 149 CA ASN A 10 25.119 -11.331 -13.426 1.00 0.00 C ATOM 150 C ASN A 10 26.441 -10.675 -13.795 1.00 0.00 C ATOM 151 O ASN A 10 26.981 -10.917 -14.872 1.00 0.00 O ATOM 152 CB ASN A 10 25.081 -12.752 -13.994 1.00 0.00 C ATOM 153 CG ASN A 10 23.979 -13.603 -13.404 1.00 0.00 C ATOM 154 OD1 ASN A 10 24.291 -14.318 -12.334 1.00 0.00 O flip ATOM 155 ND2 ASN A 10 22.855 -13.620 -13.903 1.00 0.00 N flip ATOM 0 H ASN A 10 23.554 -10.930 -14.757 1.00 0.00 H new ATOM 0 HA ASN A 10 25.035 -11.378 -12.340 1.00 0.00 H new ATOM 0 HB2 ASN A 10 24.951 -12.700 -15.075 1.00 0.00 H new ATOM 0 HB3 ASN A 10 26.041 -13.235 -13.811 1.00 0.00 H new ATOM 0 HD21 ASN A 10 22.655 -13.054 -14.728 1.00 0.00 H new ATOM 0 HD22 ASN A 10 22.123 -14.200 -13.492 1.00 0.00 H new ATOM 162 N MET A 11 26.962 -9.829 -12.915 1.00 0.00 N ATOM 163 CA MET A 11 28.248 -9.198 -13.168 1.00 0.00 C ATOM 164 C MET A 11 29.056 -9.088 -11.885 1.00 0.00 C ATOM 165 O MET A 11 29.211 -8.003 -11.331 1.00 0.00 O ATOM 166 CB MET A 11 28.046 -7.809 -13.800 1.00 0.00 C ATOM 167 CG MET A 11 27.678 -7.862 -15.279 1.00 0.00 C ATOM 168 SD MET A 11 28.081 -6.354 -16.185 1.00 0.00 S ATOM 169 CE MET A 11 26.997 -5.159 -15.409 1.00 0.00 C ATOM 0 H MET A 11 26.521 -9.568 -12.033 1.00 0.00 H new ATOM 0 HA MET A 11 28.805 -9.821 -13.868 1.00 0.00 H new ATOM 0 HB2 MET A 11 27.261 -7.282 -13.257 1.00 0.00 H new ATOM 0 HB3 MET A 11 28.961 -7.228 -13.682 1.00 0.00 H new ATOM 0 HG2 MET A 11 28.195 -8.702 -15.742 1.00 0.00 H new ATOM 0 HG3 MET A 11 26.609 -8.055 -15.371 1.00 0.00 H new ATOM 0 HE1 MET A 11 26.670 -4.430 -16.150 1.00 0.00 H new ATOM 0 HE2 MET A 11 26.128 -5.671 -14.995 1.00 0.00 H new ATOM 0 HE3 MET A 11 27.532 -4.648 -14.609 1.00 0.00 H new ATOM 179 N GLN A 12 29.594 -10.222 -11.438 1.00 0.00 N ATOM 180 CA GLN A 12 30.324 -10.282 -10.173 1.00 0.00 C ATOM 181 C GLN A 12 31.746 -9.784 -10.365 1.00 0.00 C ATOM 182 O GLN A 12 32.275 -9.014 -9.569 1.00 0.00 O ATOM 183 CB GLN A 12 30.376 -11.719 -9.626 1.00 0.00 C ATOM 184 CG GLN A 12 29.075 -12.508 -9.726 1.00 0.00 C ATOM 185 CD GLN A 12 28.947 -13.263 -11.033 1.00 0.00 C ATOM 186 OE1 GLN A 12 28.279 -12.661 -12.004 1.00 0.00 O flip ATOM 187 NE2 GLN A 12 29.422 -14.388 -11.163 1.00 0.00 N flip ATOM 0 H GLN A 12 29.538 -11.112 -11.934 1.00 0.00 H new ATOM 0 HA GLN A 12 29.796 -9.649 -9.460 1.00 0.00 H new ATOM 0 HB2 GLN A 12 31.153 -12.265 -10.161 1.00 0.00 H new ATOM 0 HB3 GLN A 12 30.677 -11.680 -8.579 1.00 0.00 H new ATOM 0 HG2 GLN A 12 29.018 -13.213 -8.897 1.00 0.00 H new ATOM 0 HG3 GLN A 12 28.232 -11.825 -9.622 1.00 0.00 H new ATOM 0 HE21 GLN A 12 29.931 -14.819 -10.391 1.00 0.00 H new ATOM 0 HE22 GLN A 12 29.308 -14.891 -12.043 1.00 0.00 H new ATOM 196 N ASP A 13 32.352 -10.248 -11.443 1.00 0.00 N ATOM 197 CA ASP A 13 33.739 -9.937 -11.757 1.00 0.00 C ATOM 198 C ASP A 13 33.798 -8.992 -12.950 1.00 0.00 C ATOM 199 O ASP A 13 34.824 -8.372 -13.231 1.00 0.00 O ATOM 200 CB ASP A 13 34.473 -11.249 -12.060 1.00 0.00 C ATOM 201 CG ASP A 13 35.888 -11.065 -12.571 1.00 0.00 C ATOM 202 OD1 ASP A 13 36.064 -10.932 -13.801 1.00 0.00 O ATOM 203 OD2 ASP A 13 36.827 -11.093 -11.754 1.00 0.00 O ATOM 0 H ASP A 13 31.898 -10.852 -12.128 1.00 0.00 H new ATOM 0 HA ASP A 13 34.219 -9.442 -10.913 1.00 0.00 H new ATOM 0 HB2 ASP A 13 34.502 -11.854 -11.154 1.00 0.00 H new ATOM 0 HB3 ASP A 13 33.901 -11.810 -12.800 1.00 0.00 H new ATOM 208 N LYS A 14 32.658 -8.852 -13.617 1.00 0.00 N ATOM 209 CA LYS A 14 32.587 -8.107 -14.870 1.00 0.00 C ATOM 210 C LYS A 14 32.645 -6.611 -14.611 1.00 0.00 C ATOM 211 O LYS A 14 32.973 -5.823 -15.497 1.00 0.00 O ATOM 212 CB LYS A 14 31.291 -8.440 -15.623 1.00 0.00 C ATOM 213 CG LYS A 14 30.786 -9.861 -15.405 1.00 0.00 C ATOM 214 CD LYS A 14 31.761 -10.902 -15.915 1.00 0.00 C ATOM 215 CE LYS A 14 31.306 -12.298 -15.528 1.00 0.00 C ATOM 216 NZ LYS A 14 32.134 -13.356 -16.167 1.00 0.00 N ATOM 0 H LYS A 14 31.768 -9.245 -13.311 1.00 0.00 H new ATOM 0 HA LYS A 14 33.443 -8.398 -15.479 1.00 0.00 H new ATOM 0 HB2 LYS A 14 30.515 -7.740 -15.314 1.00 0.00 H new ATOM 0 HB3 LYS A 14 31.454 -8.285 -16.689 1.00 0.00 H new ATOM 0 HG2 LYS A 14 30.609 -10.022 -14.342 1.00 0.00 H new ATOM 0 HG3 LYS A 14 29.828 -9.985 -15.910 1.00 0.00 H new ATOM 0 HD2 LYS A 14 31.845 -10.829 -16.999 1.00 0.00 H new ATOM 0 HD3 LYS A 14 32.753 -10.711 -15.505 1.00 0.00 H new ATOM 0 HE2 LYS A 14 31.354 -12.407 -14.444 1.00 0.00 H new ATOM 0 HE3 LYS A 14 30.263 -12.431 -15.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 31.787 -14.292 -15.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 32.069 -13.270 -17.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 33.125 -13.246 -15.872 1.00 0.00 H new ATOM 230 N THR A 15 32.329 -6.235 -13.390 1.00 0.00 N ATOM 231 CA THR A 15 32.248 -4.829 -13.030 1.00 0.00 C ATOM 232 C THR A 15 32.548 -4.614 -11.541 1.00 0.00 C ATOM 233 O THR A 15 32.910 -5.552 -10.829 1.00 0.00 O ATOM 234 CB THR A 15 30.860 -4.251 -13.390 1.00 0.00 C ATOM 235 OG1 THR A 15 30.855 -2.826 -13.223 1.00 0.00 O ATOM 236 CG2 THR A 15 29.770 -4.878 -12.532 1.00 0.00 C ATOM 0 H THR A 15 32.123 -6.881 -12.628 1.00 0.00 H new ATOM 0 HA THR A 15 33.006 -4.297 -13.605 1.00 0.00 H new ATOM 0 HB THR A 15 30.656 -4.488 -14.434 1.00 0.00 H new ATOM 0 HG1 THR A 15 29.940 -2.520 -13.050 1.00 0.00 H new ATOM 0 HG21 THR A 15 28.803 -4.454 -12.805 1.00 0.00 H new ATOM 0 HG22 THR A 15 29.753 -5.956 -12.695 1.00 0.00 H new ATOM 0 HG23 THR A 15 29.972 -4.674 -11.481 1.00 0.00 H new ATOM 244 N GLU A 16 32.386 -3.373 -11.093 1.00 0.00 N ATOM 245 CA GLU A 16 32.749 -2.969 -9.737 1.00 0.00 C ATOM 246 C GLU A 16 31.515 -2.840 -8.846 1.00 0.00 C ATOM 247 O GLU A 16 31.624 -2.550 -7.652 1.00 0.00 O ATOM 248 CB GLU A 16 33.491 -1.633 -9.793 1.00 0.00 C ATOM 249 CG GLU A 16 32.652 -0.503 -10.378 1.00 0.00 C ATOM 250 CD GLU A 16 33.454 0.750 -10.662 1.00 0.00 C ATOM 251 OE1 GLU A 16 34.237 1.180 -9.793 1.00 0.00 O ATOM 252 OE2 GLU A 16 33.287 1.328 -11.759 1.00 0.00 O ATOM 0 H GLU A 16 31.999 -2.618 -11.659 1.00 0.00 H new ATOM 0 HA GLU A 16 33.392 -3.737 -9.307 1.00 0.00 H new ATOM 0 HB2 GLU A 16 33.807 -1.358 -8.787 1.00 0.00 H new ATOM 0 HB3 GLU A 16 34.395 -1.752 -10.390 1.00 0.00 H new ATOM 0 HG2 GLU A 16 32.186 -0.846 -11.302 1.00 0.00 H new ATOM 0 HG3 GLU A 16 31.846 -0.261 -9.685 1.00 0.00 H new ATOM 259 N TRP A 17 30.350 -3.064 -9.432 1.00 0.00 N ATOM 260 CA TRP A 17 29.086 -2.930 -8.714 1.00 0.00 C ATOM 261 C TRP A 17 28.757 -4.224 -7.977 1.00 0.00 C ATOM 262 O TRP A 17 29.446 -5.231 -8.131 1.00 0.00 O ATOM 263 CB TRP A 17 27.960 -2.580 -9.684 1.00 0.00 C ATOM 264 CG TRP A 17 28.279 -1.397 -10.541 1.00 0.00 C ATOM 265 CD1 TRP A 17 28.741 -0.182 -10.125 1.00 0.00 C ATOM 266 CD2 TRP A 17 28.156 -1.314 -11.964 1.00 0.00 C ATOM 267 NE1 TRP A 17 28.926 0.644 -11.203 1.00 0.00 N ATOM 268 CE2 TRP A 17 28.571 -0.029 -12.343 1.00 0.00 C ATOM 269 CE3 TRP A 17 27.739 -2.207 -12.954 1.00 0.00 C ATOM 270 CZ2 TRP A 17 28.583 0.385 -13.672 1.00 0.00 C ATOM 271 CZ3 TRP A 17 27.749 -1.793 -14.272 1.00 0.00 C ATOM 272 CH2 TRP A 17 28.168 -0.507 -14.619 1.00 0.00 C ATOM 0 H TRP A 17 30.250 -3.341 -10.409 1.00 0.00 H new ATOM 0 HA TRP A 17 29.185 -2.125 -7.985 1.00 0.00 H new ATOM 0 HB2 TRP A 17 27.756 -3.440 -10.322 1.00 0.00 H new ATOM 0 HB3 TRP A 17 27.050 -2.379 -9.119 1.00 0.00 H new ATOM 0 HD1 TRP A 17 28.933 0.089 -9.097 1.00 0.00 H new ATOM 0 HE1 TRP A 17 29.271 1.603 -11.163 1.00 0.00 H new ATOM 0 HE3 TRP A 17 27.414 -3.204 -12.694 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 28.909 1.378 -13.945 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 27.428 -2.474 -15.046 1.00 0.00 H new ATOM 0 HH2 TRP A 17 28.164 -0.212 -15.658 1.00 0.00 H new ATOM 283 N LYS A 18 27.694 -4.194 -7.190 1.00 0.00 N ATOM 284 CA LYS A 18 27.309 -5.332 -6.371 1.00 0.00 C ATOM 285 C LYS A 18 26.383 -6.278 -7.130 1.00 0.00 C ATOM 286 O LYS A 18 25.539 -6.956 -6.543 1.00 0.00 O ATOM 287 CB LYS A 18 26.613 -4.841 -5.106 1.00 0.00 C ATOM 288 CG LYS A 18 25.292 -4.137 -5.365 1.00 0.00 C ATOM 289 CD LYS A 18 24.168 -4.859 -4.650 1.00 0.00 C ATOM 290 CE LYS A 18 23.095 -5.359 -5.602 1.00 0.00 C ATOM 291 NZ LYS A 18 22.046 -6.108 -4.860 1.00 0.00 N ATOM 0 H LYS A 18 27.077 -3.386 -7.101 1.00 0.00 H new ATOM 0 HA LYS A 18 28.213 -5.881 -6.109 1.00 0.00 H new ATOM 0 HB2 LYS A 18 26.438 -5.691 -4.446 1.00 0.00 H new ATOM 0 HB3 LYS A 18 27.279 -4.159 -4.577 1.00 0.00 H new ATOM 0 HG2 LYS A 18 25.348 -3.104 -5.021 1.00 0.00 H new ATOM 0 HG3 LYS A 18 25.091 -4.106 -6.436 1.00 0.00 H new ATOM 0 HD2 LYS A 18 24.578 -5.703 -4.096 1.00 0.00 H new ATOM 0 HD3 LYS A 18 23.716 -4.187 -3.920 1.00 0.00 H new ATOM 0 HE2 LYS A 18 22.645 -4.516 -6.127 1.00 0.00 H new ATOM 0 HE3 LYS A 18 23.543 -6.003 -6.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 21.478 -6.665 -5.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 22.496 -6.746 -4.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 21.430 -5.437 -4.358 1.00 0.00 H new ATOM 305 N LEU A 19 26.545 -6.341 -8.432 1.00 0.00 N ATOM 306 CA LEU A 19 25.666 -7.153 -9.248 1.00 0.00 C ATOM 307 C LEU A 19 26.176 -8.590 -9.268 1.00 0.00 C ATOM 308 O LEU A 19 27.319 -8.832 -9.616 1.00 0.00 O ATOM 309 CB LEU A 19 25.621 -6.620 -10.684 1.00 0.00 C ATOM 310 CG LEU A 19 25.578 -5.099 -10.831 1.00 0.00 C ATOM 311 CD1 LEU A 19 25.506 -4.713 -12.296 1.00 0.00 C ATOM 312 CD2 LEU A 19 24.399 -4.518 -10.083 1.00 0.00 C ATOM 0 H LEU A 19 27.271 -5.844 -8.948 1.00 0.00 H new ATOM 0 HA LEU A 19 24.663 -7.116 -8.823 1.00 0.00 H new ATOM 0 HB2 LEU A 19 26.496 -6.992 -11.217 1.00 0.00 H new ATOM 0 HB3 LEU A 19 24.745 -7.038 -11.179 1.00 0.00 H new ATOM 0 HG LEU A 19 26.493 -4.691 -10.401 1.00 0.00 H new ATOM 0 HD11 LEU A 19 25.476 -3.627 -12.385 1.00 0.00 H new ATOM 0 HD12 LEU A 19 26.384 -5.096 -12.817 1.00 0.00 H new ATOM 0 HD13 LEU A 19 24.606 -5.139 -12.741 1.00 0.00 H new ATOM 0 HD21 LEU A 19 24.390 -3.435 -10.203 1.00 0.00 H new ATOM 0 HD22 LEU A 19 23.474 -4.935 -10.482 1.00 0.00 H new ATOM 0 HD23 LEU A 19 24.482 -4.765 -9.025 1.00 0.00 H new ATOM 324 N ASN A 20 25.346 -9.548 -8.894 1.00 0.00 N ATOM 325 CA ASN A 20 25.801 -10.936 -8.850 1.00 0.00 C ATOM 326 C ASN A 20 24.761 -11.865 -9.450 1.00 0.00 C ATOM 327 O ASN A 20 24.807 -13.077 -9.255 1.00 0.00 O ATOM 328 CB ASN A 20 26.122 -11.361 -7.410 1.00 0.00 C ATOM 329 CG ASN A 20 27.245 -10.548 -6.792 1.00 0.00 C ATOM 330 OD1 ASN A 20 28.397 -10.978 -6.745 1.00 0.00 O ATOM 331 ND2 ASN A 20 26.915 -9.348 -6.352 1.00 0.00 N ATOM 0 H ASN A 20 24.374 -9.402 -8.621 1.00 0.00 H new ATOM 0 HA ASN A 20 26.713 -11.007 -9.443 1.00 0.00 H new ATOM 0 HB2 ASN A 20 25.226 -11.258 -6.798 1.00 0.00 H new ATOM 0 HB3 ASN A 20 26.396 -12.416 -7.400 1.00 0.00 H new ATOM 0 HD21 ASN A 20 27.628 -8.737 -5.954 1.00 0.00 H new ATOM 0 HD22 ASN A 20 25.947 -9.032 -6.410 1.00 0.00 H new ATOM 338 N GLY A 21 23.840 -11.292 -10.214 1.00 0.00 N ATOM 339 CA GLY A 21 22.795 -12.084 -10.824 1.00 0.00 C ATOM 340 C GLY A 21 21.643 -12.365 -9.883 1.00 0.00 C ATOM 341 O GLY A 21 20.791 -13.202 -10.175 1.00 0.00 O ATOM 0 H GLY A 21 23.800 -10.294 -10.421 1.00 0.00 H new ATOM 0 HA2 GLY A 21 22.419 -11.564 -11.705 1.00 0.00 H new ATOM 0 HA3 GLY A 21 23.216 -13.029 -11.167 1.00 0.00 H new ATOM 345 N GLN A 22 21.622 -11.685 -8.743 1.00 0.00 N ATOM 346 CA GLN A 22 20.521 -11.829 -7.802 1.00 0.00 C ATOM 347 C GLN A 22 19.350 -10.949 -8.220 1.00 0.00 C ATOM 348 O GLN A 22 19.417 -10.247 -9.220 1.00 0.00 O ATOM 349 CB GLN A 22 20.952 -11.479 -6.371 1.00 0.00 C ATOM 350 CG GLN A 22 21.342 -10.018 -6.166 1.00 0.00 C ATOM 351 CD GLN A 22 22.831 -9.779 -6.298 1.00 0.00 C ATOM 352 OE1 GLN A 22 23.634 -10.654 -6.010 1.00 0.00 O ATOM 353 NE2 GLN A 22 23.208 -8.587 -6.733 1.00 0.00 N ATOM 0 H GLN A 22 22.350 -11.033 -8.450 1.00 0.00 H new ATOM 0 HA GLN A 22 20.211 -12.874 -7.815 1.00 0.00 H new ATOM 0 HB2 GLN A 22 20.137 -11.723 -5.690 1.00 0.00 H new ATOM 0 HB3 GLN A 22 21.797 -12.109 -6.095 1.00 0.00 H new ATOM 0 HG2 GLN A 22 20.815 -9.401 -6.894 1.00 0.00 H new ATOM 0 HG3 GLN A 22 21.014 -9.695 -5.178 1.00 0.00 H new ATOM 0 HE21 GLN A 22 22.507 -7.883 -6.963 1.00 0.00 H new ATOM 0 HE22 GLN A 22 24.200 -8.373 -6.838 1.00 0.00 H new ATOM 362 N VAL A 23 18.286 -10.981 -7.449 1.00 0.00 N ATOM 363 CA VAL A 23 17.120 -10.166 -7.737 1.00 0.00 C ATOM 364 C VAL A 23 16.728 -9.363 -6.500 1.00 0.00 C ATOM 365 O VAL A 23 16.720 -9.886 -5.384 1.00 0.00 O ATOM 366 CB VAL A 23 15.933 -11.029 -8.233 1.00 0.00 C ATOM 367 CG1 VAL A 23 15.503 -12.044 -7.183 1.00 0.00 C ATOM 368 CG2 VAL A 23 14.764 -10.153 -8.659 1.00 0.00 C ATOM 0 H VAL A 23 18.201 -11.563 -6.615 1.00 0.00 H new ATOM 0 HA VAL A 23 17.376 -9.475 -8.540 1.00 0.00 H new ATOM 0 HB VAL A 23 16.273 -11.586 -9.106 1.00 0.00 H new ATOM 0 HG11 VAL A 23 14.668 -12.632 -7.565 1.00 0.00 H new ATOM 0 HG12 VAL A 23 16.338 -12.706 -6.954 1.00 0.00 H new ATOM 0 HG13 VAL A 23 15.194 -11.522 -6.277 1.00 0.00 H new ATOM 0 HG21 VAL A 23 13.944 -10.783 -9.003 1.00 0.00 H new ATOM 0 HG22 VAL A 23 14.431 -9.554 -7.812 1.00 0.00 H new ATOM 0 HG23 VAL A 23 15.079 -9.494 -9.468 1.00 0.00 H new ATOM 378 N LEU A 24 16.455 -8.083 -6.694 1.00 0.00 N ATOM 379 CA LEU A 24 16.062 -7.220 -5.593 1.00 0.00 C ATOM 380 C LEU A 24 14.555 -7.240 -5.428 1.00 0.00 C ATOM 381 O LEU A 24 13.819 -7.308 -6.410 1.00 0.00 O ATOM 382 CB LEU A 24 16.538 -5.786 -5.827 1.00 0.00 C ATOM 383 CG LEU A 24 18.053 -5.617 -5.957 1.00 0.00 C ATOM 384 CD1 LEU A 24 18.416 -4.154 -6.172 1.00 0.00 C ATOM 385 CD2 LEU A 24 18.755 -6.166 -4.726 1.00 0.00 C ATOM 0 H LEU A 24 16.498 -7.620 -7.602 1.00 0.00 H new ATOM 0 HA LEU A 24 16.530 -7.595 -4.683 1.00 0.00 H new ATOM 0 HB2 LEU A 24 16.067 -5.407 -6.734 1.00 0.00 H new ATOM 0 HB3 LEU A 24 16.188 -5.165 -5.002 1.00 0.00 H new ATOM 0 HG LEU A 24 18.388 -6.182 -6.827 1.00 0.00 H new ATOM 0 HD11 LEU A 24 19.498 -4.057 -6.262 1.00 0.00 H new ATOM 0 HD12 LEU A 24 17.942 -3.792 -7.084 1.00 0.00 H new ATOM 0 HD13 LEU A 24 18.068 -3.564 -5.324 1.00 0.00 H new ATOM 0 HD21 LEU A 24 19.832 -6.038 -4.834 1.00 0.00 H new ATOM 0 HD22 LEU A 24 18.413 -5.628 -3.842 1.00 0.00 H new ATOM 0 HD23 LEU A 24 18.524 -7.226 -4.618 1.00 0.00 H new ATOM 397 N VAL A 25 14.103 -7.186 -4.189 1.00 0.00 N ATOM 398 CA VAL A 25 12.685 -7.205 -3.891 1.00 0.00 C ATOM 399 C VAL A 25 12.341 -6.036 -2.985 1.00 0.00 C ATOM 400 O VAL A 25 12.753 -5.996 -1.826 1.00 0.00 O ATOM 401 CB VAL A 25 12.253 -8.522 -3.209 1.00 0.00 C ATOM 402 CG1 VAL A 25 10.749 -8.537 -2.970 1.00 0.00 C ATOM 403 CG2 VAL A 25 12.677 -9.725 -4.041 1.00 0.00 C ATOM 0 H VAL A 25 14.704 -7.128 -3.367 1.00 0.00 H new ATOM 0 HA VAL A 25 12.149 -7.126 -4.837 1.00 0.00 H new ATOM 0 HB VAL A 25 12.753 -8.583 -2.242 1.00 0.00 H new ATOM 0 HG11 VAL A 25 10.466 -9.473 -2.489 1.00 0.00 H new ATOM 0 HG12 VAL A 25 10.474 -7.701 -2.327 1.00 0.00 H new ATOM 0 HG13 VAL A 25 10.228 -8.447 -3.923 1.00 0.00 H new ATOM 0 HG21 VAL A 25 12.363 -10.642 -3.542 1.00 0.00 H new ATOM 0 HG22 VAL A 25 12.211 -9.669 -5.025 1.00 0.00 H new ATOM 0 HG23 VAL A 25 13.761 -9.726 -4.153 1.00 0.00 H new ATOM 413 N PHE A 26 11.607 -5.085 -3.522 1.00 0.00 N ATOM 414 CA PHE A 26 11.218 -3.910 -2.771 1.00 0.00 C ATOM 415 C PHE A 26 9.709 -3.751 -2.832 1.00 0.00 C ATOM 416 O PHE A 26 9.049 -4.371 -3.665 1.00 0.00 O ATOM 417 CB PHE A 26 11.913 -2.659 -3.323 1.00 0.00 C ATOM 418 CG PHE A 26 13.412 -2.683 -3.180 1.00 0.00 C ATOM 419 CD1 PHE A 26 14.001 -3.033 -1.975 1.00 0.00 C ATOM 420 CD2 PHE A 26 14.231 -2.355 -4.250 1.00 0.00 C ATOM 421 CE1 PHE A 26 15.375 -3.060 -1.840 1.00 0.00 C ATOM 422 CE2 PHE A 26 15.607 -2.379 -4.119 1.00 0.00 C ATOM 423 CZ PHE A 26 16.179 -2.734 -2.913 1.00 0.00 C ATOM 0 H PHE A 26 11.265 -5.103 -4.483 1.00 0.00 H new ATOM 0 HA PHE A 26 11.525 -4.033 -1.732 1.00 0.00 H new ATOM 0 HB2 PHE A 26 11.660 -2.550 -4.378 1.00 0.00 H new ATOM 0 HB3 PHE A 26 11.522 -1.781 -2.809 1.00 0.00 H new ATOM 0 HD1 PHE A 26 13.377 -3.288 -1.131 1.00 0.00 H new ATOM 0 HD2 PHE A 26 13.789 -2.078 -5.196 1.00 0.00 H new ATOM 0 HE1 PHE A 26 15.820 -3.336 -0.895 1.00 0.00 H new ATOM 0 HE2 PHE A 26 16.234 -2.120 -4.959 1.00 0.00 H new ATOM 0 HZ PHE A 26 17.254 -2.756 -2.810 1.00 0.00 H new ATOM 433 N THR A 27 9.155 -2.964 -1.939 1.00 0.00 N ATOM 434 CA THR A 27 7.729 -2.724 -1.952 1.00 0.00 C ATOM 435 C THR A 27 7.447 -1.230 -1.989 1.00 0.00 C ATOM 436 O THR A 27 7.782 -0.499 -1.055 1.00 0.00 O ATOM 437 CB THR A 27 7.056 -3.341 -0.716 1.00 0.00 C ATOM 438 OG1 THR A 27 7.659 -4.608 -0.416 1.00 0.00 O ATOM 439 CG2 THR A 27 5.563 -3.536 -0.932 1.00 0.00 C ATOM 0 H THR A 27 9.665 -2.482 -1.199 1.00 0.00 H new ATOM 0 HA THR A 27 7.318 -3.194 -2.846 1.00 0.00 H new ATOM 0 HB THR A 27 7.195 -2.652 0.117 1.00 0.00 H new ATOM 0 HG1 THR A 27 7.228 -4.997 0.374 1.00 0.00 H new ATOM 0 HG21 THR A 27 5.120 -3.974 -0.038 1.00 0.00 H new ATOM 0 HG22 THR A 27 5.096 -2.572 -1.133 1.00 0.00 H new ATOM 0 HG23 THR A 27 5.402 -4.202 -1.780 1.00 0.00 H new ATOM 447 N LEU A 28 6.841 -0.784 -3.071 1.00 0.00 N ATOM 448 CA LEU A 28 6.530 0.626 -3.250 1.00 0.00 C ATOM 449 C LEU A 28 5.112 0.780 -3.761 1.00 0.00 C ATOM 450 O LEU A 28 4.581 -0.118 -4.412 1.00 0.00 O ATOM 451 CB LEU A 28 7.512 1.281 -4.229 1.00 0.00 C ATOM 452 CG LEU A 28 8.939 1.459 -3.710 1.00 0.00 C ATOM 453 CD1 LEU A 28 9.855 1.935 -4.824 1.00 0.00 C ATOM 454 CD2 LEU A 28 8.968 2.444 -2.554 1.00 0.00 C ATOM 0 H LEU A 28 6.551 -1.380 -3.846 1.00 0.00 H new ATOM 0 HA LEU A 28 6.623 1.124 -2.285 1.00 0.00 H new ATOM 0 HB2 LEU A 28 7.547 0.680 -5.138 1.00 0.00 H new ATOM 0 HB3 LEU A 28 7.121 2.259 -4.508 1.00 0.00 H new ATOM 0 HG LEU A 28 9.295 0.492 -3.353 1.00 0.00 H new ATOM 0 HD11 LEU A 28 10.867 2.056 -4.436 1.00 0.00 H new ATOM 0 HD12 LEU A 28 9.861 1.200 -5.629 1.00 0.00 H new ATOM 0 HD13 LEU A 28 9.496 2.890 -5.207 1.00 0.00 H new ATOM 0 HD21 LEU A 28 9.992 2.557 -2.198 1.00 0.00 H new ATOM 0 HD22 LEU A 28 8.591 3.410 -2.890 1.00 0.00 H new ATOM 0 HD23 LEU A 28 8.341 2.072 -1.743 1.00 0.00 H new ATOM 466 N PRO A 29 4.461 1.898 -3.434 1.00 0.00 N ATOM 467 CA PRO A 29 3.126 2.201 -3.935 1.00 0.00 C ATOM 468 C PRO A 29 3.129 2.436 -5.438 1.00 0.00 C ATOM 469 O PRO A 29 4.124 2.882 -6.004 1.00 0.00 O ATOM 470 CB PRO A 29 2.739 3.484 -3.197 1.00 0.00 C ATOM 471 CG PRO A 29 4.030 4.093 -2.773 1.00 0.00 C ATOM 472 CD PRO A 29 4.975 2.948 -2.543 1.00 0.00 C ATOM 0 HA PRO A 29 2.430 1.379 -3.766 1.00 0.00 H new ATOM 0 HB2 PRO A 29 2.179 4.158 -3.845 1.00 0.00 H new ATOM 0 HB3 PRO A 29 2.104 3.268 -2.338 1.00 0.00 H new ATOM 0 HG2 PRO A 29 4.413 4.767 -3.539 1.00 0.00 H new ATOM 0 HG3 PRO A 29 3.903 4.682 -1.865 1.00 0.00 H new ATOM 0 HD2 PRO A 29 6.002 3.218 -2.791 1.00 0.00 H new ATOM 0 HD3 PRO A 29 4.972 2.628 -1.501 1.00 0.00 H new ATOM 480 N LEU A 30 1.996 2.154 -6.069 1.00 0.00 N ATOM 481 CA LEU A 30 1.834 2.339 -7.511 1.00 0.00 C ATOM 482 C LEU A 30 1.955 3.821 -7.878 1.00 0.00 C ATOM 483 O LEU A 30 2.031 4.187 -9.051 1.00 0.00 O ATOM 484 CB LEU A 30 0.462 1.795 -7.936 1.00 0.00 C ATOM 485 CG LEU A 30 0.214 1.700 -9.441 1.00 0.00 C ATOM 486 CD1 LEU A 30 1.131 0.667 -10.069 1.00 0.00 C ATOM 487 CD2 LEU A 30 -1.242 1.355 -9.718 1.00 0.00 C ATOM 0 H LEU A 30 1.165 1.792 -5.601 1.00 0.00 H new ATOM 0 HA LEU A 30 2.620 1.795 -8.035 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.338 0.802 -7.504 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.309 2.430 -7.501 1.00 0.00 H new ATOM 0 HG LEU A 30 0.432 2.670 -9.887 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.939 0.614 -11.141 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.170 0.952 -9.900 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.944 -0.308 -9.618 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.402 1.291 -10.794 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.483 0.397 -9.258 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -1.885 2.130 -9.301 1.00 0.00 H new ATOM 499 N THR A 31 1.989 4.663 -6.857 1.00 0.00 N ATOM 500 CA THR A 31 2.039 6.100 -7.032 1.00 0.00 C ATOM 501 C THR A 31 3.456 6.583 -7.334 1.00 0.00 C ATOM 502 O THR A 31 3.643 7.665 -7.895 1.00 0.00 O ATOM 503 CB THR A 31 1.501 6.798 -5.774 1.00 0.00 C ATOM 504 OG1 THR A 31 2.227 6.353 -4.623 1.00 0.00 O ATOM 505 CG2 THR A 31 0.030 6.480 -5.584 1.00 0.00 C ATOM 0 H THR A 31 1.983 4.365 -5.882 1.00 0.00 H new ATOM 0 HA THR A 31 1.413 6.355 -7.887 1.00 0.00 H new ATOM 0 HB THR A 31 1.625 7.874 -5.896 1.00 0.00 H new ATOM 0 HG1 THR A 31 1.881 6.803 -3.824 1.00 0.00 H new ATOM 0 HG21 THR A 31 -0.338 6.981 -4.689 1.00 0.00 H new ATOM 0 HG22 THR A 31 -0.532 6.827 -6.451 1.00 0.00 H new ATOM 0 HG23 THR A 31 -0.098 5.403 -5.475 1.00 0.00 H new ATOM 513 N ASP A 32 4.451 5.778 -6.970 1.00 0.00 N ATOM 514 CA ASP A 32 5.841 6.103 -7.284 1.00 0.00 C ATOM 515 C ASP A 32 6.122 5.858 -8.759 1.00 0.00 C ATOM 516 O ASP A 32 5.219 5.535 -9.540 1.00 0.00 O ATOM 517 CB ASP A 32 6.830 5.310 -6.410 1.00 0.00 C ATOM 518 CG ASP A 32 7.085 5.973 -5.068 1.00 0.00 C ATOM 519 OD1 ASP A 32 7.599 7.113 -5.052 1.00 0.00 O ATOM 520 OD2 ASP A 32 6.793 5.358 -4.021 1.00 0.00 O ATOM 0 H ASP A 32 4.323 4.903 -6.462 1.00 0.00 H new ATOM 0 HA ASP A 32 5.987 7.161 -7.064 1.00 0.00 H new ATOM 0 HB2 ASP A 32 6.440 4.305 -6.246 1.00 0.00 H new ATOM 0 HB3 ASP A 32 7.775 5.202 -6.943 1.00 0.00 H new ATOM 525 N GLN A 33 7.371 6.012 -9.151 1.00 0.00 N ATOM 526 CA GLN A 33 7.732 5.928 -10.551 1.00 0.00 C ATOM 527 C GLN A 33 9.110 5.313 -10.735 1.00 0.00 C ATOM 528 O GLN A 33 9.819 5.041 -9.764 1.00 0.00 O ATOM 529 CB GLN A 33 7.681 7.316 -11.203 1.00 0.00 C ATOM 530 CG GLN A 33 8.476 8.385 -10.464 1.00 0.00 C ATOM 531 CD GLN A 33 7.751 8.977 -9.263 1.00 0.00 C ATOM 532 OE1 GLN A 33 6.428 9.070 -9.332 1.00 0.00 O flip ATOM 533 NE2 GLN A 33 8.383 9.369 -8.285 1.00 0.00 N flip ATOM 0 H GLN A 33 8.152 6.196 -8.521 1.00 0.00 H new ATOM 0 HA GLN A 33 7.006 5.279 -11.040 1.00 0.00 H new ATOM 0 HB2 GLN A 33 8.058 7.240 -12.223 1.00 0.00 H new ATOM 0 HB3 GLN A 33 6.641 7.635 -11.271 1.00 0.00 H new ATOM 0 HG2 GLN A 33 9.420 7.955 -10.130 1.00 0.00 H new ATOM 0 HG3 GLN A 33 8.720 9.188 -11.160 1.00 0.00 H new ATOM 0 HE21 GLN A 33 9.399 9.282 -8.266 1.00 0.00 H new ATOM 0 HE22 GLN A 33 7.892 9.782 -7.492 1.00 0.00 H new ATOM 542 N VAL A 34 9.482 5.119 -11.998 1.00 0.00 N ATOM 543 CA VAL A 34 10.760 4.516 -12.360 1.00 0.00 C ATOM 544 C VAL A 34 11.931 5.335 -11.820 1.00 0.00 C ATOM 545 O VAL A 34 13.015 4.803 -11.572 1.00 0.00 O ATOM 546 CB VAL A 34 10.891 4.408 -13.891 1.00 0.00 C ATOM 547 CG1 VAL A 34 12.181 3.702 -14.286 1.00 0.00 C ATOM 548 CG2 VAL A 34 9.681 3.704 -14.487 1.00 0.00 C ATOM 0 H VAL A 34 8.905 5.376 -12.799 1.00 0.00 H new ATOM 0 HA VAL A 34 10.788 3.521 -11.916 1.00 0.00 H new ATOM 0 HB VAL A 34 10.930 5.419 -14.296 1.00 0.00 H new ATOM 0 HG11 VAL A 34 12.245 3.641 -15.372 1.00 0.00 H new ATOM 0 HG12 VAL A 34 13.034 4.262 -13.903 1.00 0.00 H new ATOM 0 HG13 VAL A 34 12.189 2.696 -13.865 1.00 0.00 H new ATOM 0 HG21 VAL A 34 9.795 3.639 -15.569 1.00 0.00 H new ATOM 0 HG22 VAL A 34 9.602 2.700 -14.069 1.00 0.00 H new ATOM 0 HG23 VAL A 34 8.779 4.268 -14.250 1.00 0.00 H new ATOM 558 N SER A 35 11.699 6.630 -11.644 1.00 0.00 N ATOM 559 CA SER A 35 12.703 7.534 -11.097 1.00 0.00 C ATOM 560 C SER A 35 13.223 7.029 -9.747 1.00 0.00 C ATOM 561 O SER A 35 14.400 7.187 -9.427 1.00 0.00 O ATOM 562 CB SER A 35 12.098 8.927 -10.942 1.00 0.00 C ATOM 563 OG SER A 35 11.292 9.245 -12.065 1.00 0.00 O ATOM 0 H SER A 35 10.814 7.081 -11.875 1.00 0.00 H new ATOM 0 HA SER A 35 13.548 7.576 -11.785 1.00 0.00 H new ATOM 0 HB2 SER A 35 11.499 8.971 -10.033 1.00 0.00 H new ATOM 0 HB3 SER A 35 12.893 9.666 -10.836 1.00 0.00 H new ATOM 0 HG SER A 35 10.910 10.140 -11.950 1.00 0.00 H new ATOM 569 N VAL A 36 12.343 6.397 -8.974 1.00 0.00 N ATOM 570 CA VAL A 36 12.708 5.850 -7.681 1.00 0.00 C ATOM 571 C VAL A 36 13.531 4.574 -7.854 1.00 0.00 C ATOM 572 O VAL A 36 14.365 4.240 -7.013 1.00 0.00 O ATOM 573 CB VAL A 36 11.446 5.551 -6.845 1.00 0.00 C ATOM 574 CG1 VAL A 36 11.817 5.184 -5.425 1.00 0.00 C ATOM 575 CG2 VAL A 36 10.496 6.743 -6.865 1.00 0.00 C ATOM 0 H VAL A 36 11.366 6.253 -9.228 1.00 0.00 H new ATOM 0 HA VAL A 36 13.311 6.590 -7.155 1.00 0.00 H new ATOM 0 HB VAL A 36 10.934 4.698 -7.291 1.00 0.00 H new ATOM 0 HG11 VAL A 36 10.912 4.977 -4.854 1.00 0.00 H new ATOM 0 HG12 VAL A 36 12.452 4.298 -5.432 1.00 0.00 H new ATOM 0 HG13 VAL A 36 12.355 6.012 -4.964 1.00 0.00 H new ATOM 0 HG21 VAL A 36 9.612 6.514 -6.270 1.00 0.00 H new ATOM 0 HG22 VAL A 36 10.998 7.616 -6.447 1.00 0.00 H new ATOM 0 HG23 VAL A 36 10.198 6.953 -7.892 1.00 0.00 H new ATOM 585 N ILE A 37 13.299 3.871 -8.958 1.00 0.00 N ATOM 586 CA ILE A 37 14.030 2.642 -9.254 1.00 0.00 C ATOM 587 C ILE A 37 15.470 2.953 -9.667 1.00 0.00 C ATOM 588 O ILE A 37 16.415 2.419 -9.096 1.00 0.00 O ATOM 589 CB ILE A 37 13.347 1.815 -10.375 1.00 0.00 C ATOM 590 CG1 ILE A 37 11.847 1.646 -10.089 1.00 0.00 C ATOM 591 CG2 ILE A 37 14.026 0.460 -10.515 1.00 0.00 C ATOM 592 CD1 ILE A 37 11.535 0.987 -8.762 1.00 0.00 C ATOM 0 H ILE A 37 12.610 4.131 -9.664 1.00 0.00 H new ATOM 0 HA ILE A 37 14.030 2.049 -8.339 1.00 0.00 H new ATOM 0 HB ILE A 37 13.451 2.354 -11.317 1.00 0.00 H new ATOM 0 HG12 ILE A 37 11.372 2.627 -10.115 1.00 0.00 H new ATOM 0 HG13 ILE A 37 11.401 1.054 -10.889 1.00 0.00 H new ATOM 0 HG21 ILE A 37 13.538 -0.112 -11.305 1.00 0.00 H new ATOM 0 HG22 ILE A 37 15.077 0.604 -10.767 1.00 0.00 H new ATOM 0 HG23 ILE A 37 13.950 -0.084 -9.574 1.00 0.00 H new ATOM 0 HD11 ILE A 37 10.455 0.907 -8.641 1.00 0.00 H new ATOM 0 HD12 ILE A 37 11.978 -0.009 -8.737 1.00 0.00 H new ATOM 0 HD13 ILE A 37 11.948 1.588 -7.951 1.00 0.00 H new ATOM 604 N LYS A 38 15.624 3.834 -10.647 1.00 0.00 N ATOM 605 CA LYS A 38 16.946 4.195 -11.163 1.00 0.00 C ATOM 606 C LYS A 38 17.851 4.744 -10.061 1.00 0.00 C ATOM 607 O LYS A 38 19.031 4.393 -9.984 1.00 0.00 O ATOM 608 CB LYS A 38 16.824 5.231 -12.284 1.00 0.00 C ATOM 609 CG LYS A 38 15.776 6.292 -12.012 1.00 0.00 C ATOM 610 CD LYS A 38 16.079 7.596 -12.725 1.00 0.00 C ATOM 611 CE LYS A 38 17.351 8.230 -12.190 1.00 0.00 C ATOM 612 NZ LYS A 38 17.517 9.622 -12.678 1.00 0.00 N ATOM 0 H LYS A 38 14.850 4.315 -11.104 1.00 0.00 H new ATOM 0 HA LYS A 38 17.396 3.284 -11.557 1.00 0.00 H new ATOM 0 HB2 LYS A 38 17.790 5.714 -12.429 1.00 0.00 H new ATOM 0 HB3 LYS A 38 16.580 4.720 -13.216 1.00 0.00 H new ATOM 0 HG2 LYS A 38 14.800 5.925 -12.329 1.00 0.00 H new ATOM 0 HG3 LYS A 38 15.715 6.473 -10.939 1.00 0.00 H new ATOM 0 HD2 LYS A 38 16.182 7.414 -13.795 1.00 0.00 H new ATOM 0 HD3 LYS A 38 15.244 8.286 -12.598 1.00 0.00 H new ATOM 0 HE2 LYS A 38 17.329 8.226 -11.100 1.00 0.00 H new ATOM 0 HE3 LYS A 38 18.211 7.633 -12.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 18.396 10.023 -12.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 17.563 9.622 -13.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 16.709 10.198 -12.367 1.00 0.00 H new ATOM 626 N VAL A 39 17.303 5.604 -9.208 1.00 0.00 N ATOM 627 CA VAL A 39 18.097 6.221 -8.157 1.00 0.00 C ATOM 628 C VAL A 39 18.461 5.198 -7.084 1.00 0.00 C ATOM 629 O VAL A 39 19.580 5.202 -6.575 1.00 0.00 O ATOM 630 CB VAL A 39 17.377 7.438 -7.519 1.00 0.00 C ATOM 631 CG1 VAL A 39 16.114 7.018 -6.778 1.00 0.00 C ATOM 632 CG2 VAL A 39 18.319 8.195 -6.591 1.00 0.00 C ATOM 0 H VAL A 39 16.323 5.886 -9.225 1.00 0.00 H new ATOM 0 HA VAL A 39 19.012 6.588 -8.621 1.00 0.00 H new ATOM 0 HB VAL A 39 17.077 8.104 -8.328 1.00 0.00 H new ATOM 0 HG11 VAL A 39 15.637 7.897 -6.345 1.00 0.00 H new ATOM 0 HG12 VAL A 39 15.426 6.538 -7.474 1.00 0.00 H new ATOM 0 HG13 VAL A 39 16.374 6.318 -5.984 1.00 0.00 H new ATOM 0 HG21 VAL A 39 17.794 9.045 -6.154 1.00 0.00 H new ATOM 0 HG22 VAL A 39 18.659 7.531 -5.796 1.00 0.00 H new ATOM 0 HG23 VAL A 39 19.179 8.552 -7.158 1.00 0.00 H new ATOM 642 N LYS A 40 17.534 4.300 -6.774 1.00 0.00 N ATOM 643 CA LYS A 40 17.770 3.319 -5.721 1.00 0.00 C ATOM 644 C LYS A 40 18.859 2.330 -6.132 1.00 0.00 C ATOM 645 O LYS A 40 19.660 1.904 -5.305 1.00 0.00 O ATOM 646 CB LYS A 40 16.471 2.591 -5.330 1.00 0.00 C ATOM 647 CG LYS A 40 16.015 1.500 -6.278 1.00 0.00 C ATOM 648 CD LYS A 40 14.543 1.151 -6.075 1.00 0.00 C ATOM 649 CE LYS A 40 14.152 1.064 -4.601 1.00 0.00 C ATOM 650 NZ LYS A 40 13.831 2.399 -4.012 1.00 0.00 N ATOM 0 H LYS A 40 16.624 4.230 -7.229 1.00 0.00 H new ATOM 0 HA LYS A 40 18.120 3.855 -4.839 1.00 0.00 H new ATOM 0 HB2 LYS A 40 16.606 2.154 -4.341 1.00 0.00 H new ATOM 0 HB3 LYS A 40 15.674 3.330 -5.246 1.00 0.00 H new ATOM 0 HG2 LYS A 40 16.173 1.823 -7.307 1.00 0.00 H new ATOM 0 HG3 LYS A 40 16.624 0.609 -6.126 1.00 0.00 H new ATOM 0 HD2 LYS A 40 13.925 1.903 -6.566 1.00 0.00 H new ATOM 0 HD3 LYS A 40 14.330 0.198 -6.559 1.00 0.00 H new ATOM 0 HE2 LYS A 40 13.288 0.408 -4.496 1.00 0.00 H new ATOM 0 HE3 LYS A 40 14.968 0.610 -4.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 14.489 2.602 -3.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 13.924 3.133 -4.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 12.856 2.393 -3.649 1.00 0.00 H new ATOM 664 N ILE A 41 18.904 1.986 -7.416 1.00 0.00 N ATOM 665 CA ILE A 41 19.935 1.088 -7.927 1.00 0.00 C ATOM 666 C ILE A 41 21.292 1.784 -7.940 1.00 0.00 C ATOM 667 O ILE A 41 22.306 1.203 -7.553 1.00 0.00 O ATOM 668 CB ILE A 41 19.591 0.605 -9.344 1.00 0.00 C ATOM 669 CG1 ILE A 41 18.244 -0.105 -9.331 1.00 0.00 C ATOM 670 CG2 ILE A 41 20.677 -0.320 -9.883 1.00 0.00 C ATOM 671 CD1 ILE A 41 17.718 -0.399 -10.709 1.00 0.00 C ATOM 0 H ILE A 41 18.242 2.314 -8.119 1.00 0.00 H new ATOM 0 HA ILE A 41 19.981 0.224 -7.264 1.00 0.00 H new ATOM 0 HB ILE A 41 19.532 1.471 -10.003 1.00 0.00 H new ATOM 0 HG12 ILE A 41 18.338 -1.039 -8.778 1.00 0.00 H new ATOM 0 HG13 ILE A 41 17.521 0.511 -8.796 1.00 0.00 H new ATOM 0 HG21 ILE A 41 20.410 -0.648 -10.887 1.00 0.00 H new ATOM 0 HG22 ILE A 41 21.626 0.214 -9.916 1.00 0.00 H new ATOM 0 HG23 ILE A 41 20.772 -1.188 -9.231 1.00 0.00 H new ATOM 0 HD11 ILE A 41 16.756 -0.905 -10.631 1.00 0.00 H new ATOM 0 HD12 ILE A 41 17.593 0.535 -11.258 1.00 0.00 H new ATOM 0 HD13 ILE A 41 18.423 -1.040 -11.239 1.00 0.00 H new ATOM 683 N HIS A 42 21.294 3.039 -8.367 1.00 0.00 N ATOM 684 CA HIS A 42 22.510 3.850 -8.380 1.00 0.00 C ATOM 685 C HIS A 42 23.123 3.947 -6.979 1.00 0.00 C ATOM 686 O HIS A 42 24.339 4.010 -6.825 1.00 0.00 O ATOM 687 CB HIS A 42 22.212 5.252 -8.942 1.00 0.00 C ATOM 688 CG HIS A 42 23.290 6.267 -8.666 1.00 0.00 C ATOM 689 ND1 HIS A 42 24.554 6.203 -9.215 1.00 0.00 N ATOM 690 CD2 HIS A 42 23.288 7.361 -7.868 1.00 0.00 C ATOM 691 CE1 HIS A 42 25.279 7.210 -8.764 1.00 0.00 C ATOM 692 NE2 HIS A 42 24.536 7.930 -7.943 1.00 0.00 N ATOM 0 H HIS A 42 20.464 3.522 -8.711 1.00 0.00 H new ATOM 0 HA HIS A 42 23.237 3.363 -9.029 1.00 0.00 H new ATOM 0 HB2 HIS A 42 22.066 5.176 -10.020 1.00 0.00 H new ATOM 0 HB3 HIS A 42 21.274 5.610 -8.518 1.00 0.00 H new ATOM 0 HD2 HIS A 42 22.457 7.721 -7.280 1.00 0.00 H new ATOM 0 HE1 HIS A 42 26.308 7.411 -9.023 1.00 0.00 H new ATOM 0 HE2 HIS A 42 24.838 8.769 -7.447 1.00 0.00 H new ATOM 701 N GLU A 43 22.275 3.943 -5.966 1.00 0.00 N ATOM 702 CA GLU A 43 22.726 4.066 -4.584 1.00 0.00 C ATOM 703 C GLU A 43 23.025 2.696 -3.974 1.00 0.00 C ATOM 704 O GLU A 43 23.753 2.588 -2.986 1.00 0.00 O ATOM 705 CB GLU A 43 21.670 4.796 -3.752 1.00 0.00 C ATOM 706 CG GLU A 43 21.460 6.241 -4.175 1.00 0.00 C ATOM 707 CD GLU A 43 22.657 7.123 -3.869 1.00 0.00 C ATOM 708 OE1 GLU A 43 23.602 7.162 -4.685 1.00 0.00 O ATOM 709 OE2 GLU A 43 22.657 7.773 -2.801 1.00 0.00 O ATOM 0 H GLU A 43 21.264 3.856 -6.072 1.00 0.00 H new ATOM 0 HA GLU A 43 23.650 4.644 -4.579 1.00 0.00 H new ATOM 0 HB2 GLU A 43 20.723 4.261 -3.830 1.00 0.00 H new ATOM 0 HB3 GLU A 43 21.964 4.772 -2.703 1.00 0.00 H new ATOM 0 HG2 GLU A 43 21.253 6.275 -5.245 1.00 0.00 H new ATOM 0 HG3 GLU A 43 20.582 6.639 -3.667 1.00 0.00 H new ATOM 716 N ALA A 44 22.457 1.654 -4.564 1.00 0.00 N ATOM 717 CA ALA A 44 22.626 0.300 -4.051 1.00 0.00 C ATOM 718 C ALA A 44 23.826 -0.398 -4.683 1.00 0.00 C ATOM 719 O ALA A 44 24.524 -1.168 -4.023 1.00 0.00 O ATOM 720 CB ALA A 44 21.365 -0.516 -4.288 1.00 0.00 C ATOM 0 H ALA A 44 21.875 1.719 -5.399 1.00 0.00 H new ATOM 0 HA ALA A 44 22.810 0.376 -2.979 1.00 0.00 H new ATOM 0 HB1 ALA A 44 21.506 -1.525 -3.900 1.00 0.00 H new ATOM 0 HB2 ALA A 44 20.525 -0.045 -3.777 1.00 0.00 H new ATOM 0 HB3 ALA A 44 21.158 -0.564 -5.357 1.00 0.00 H new ATOM 726 N THR A 45 24.049 -0.148 -5.966 1.00 0.00 N ATOM 727 CA THR A 45 25.143 -0.787 -6.684 1.00 0.00 C ATOM 728 C THR A 45 26.243 0.225 -6.982 1.00 0.00 C ATOM 729 O THR A 45 27.427 -0.039 -6.770 1.00 0.00 O ATOM 730 CB THR A 45 24.645 -1.422 -8.003 1.00 0.00 C ATOM 731 OG1 THR A 45 24.518 -0.429 -9.031 1.00 0.00 O ATOM 732 CG2 THR A 45 23.288 -2.070 -7.799 1.00 0.00 C ATOM 0 H THR A 45 23.488 0.491 -6.530 1.00 0.00 H new ATOM 0 HA THR A 45 25.544 -1.577 -6.050 1.00 0.00 H new ATOM 0 HB THR A 45 25.377 -2.171 -8.303 1.00 0.00 H new ATOM 0 HG1 THR A 45 23.873 0.253 -8.749 1.00 0.00 H new ATOM 0 HG21 THR A 45 22.951 -2.512 -8.737 1.00 0.00 H new ATOM 0 HG22 THR A 45 23.366 -2.847 -7.039 1.00 0.00 H new ATOM 0 HG23 THR A 45 22.570 -1.317 -7.475 1.00 0.00 H new ATOM 740 N GLY A 46 25.828 1.381 -7.465 1.00 0.00 N ATOM 741 CA GLY A 46 26.752 2.441 -7.790 1.00 0.00 C ATOM 742 C GLY A 46 26.537 2.965 -9.195 1.00 0.00 C ATOM 743 O GLY A 46 26.968 4.068 -9.526 1.00 0.00 O ATOM 0 H GLY A 46 24.849 1.607 -7.640 1.00 0.00 H new ATOM 0 HA2 GLY A 46 26.635 3.256 -7.076 1.00 0.00 H new ATOM 0 HA3 GLY A 46 27.774 2.075 -7.691 1.00 0.00 H new ATOM 747 N MET A 47 25.836 2.186 -10.016 1.00 0.00 N ATOM 748 CA MET A 47 25.643 2.538 -11.421 1.00 0.00 C ATOM 749 C MET A 47 24.514 3.556 -11.590 1.00 0.00 C ATOM 750 O MET A 47 23.362 3.301 -11.241 1.00 0.00 O ATOM 751 CB MET A 47 25.360 1.282 -12.254 1.00 0.00 C ATOM 752 CG MET A 47 24.035 0.615 -11.928 1.00 0.00 C ATOM 753 SD MET A 47 23.961 -1.119 -12.429 1.00 0.00 S ATOM 754 CE MET A 47 23.998 -0.991 -14.215 1.00 0.00 C ATOM 0 H MET A 47 25.394 1.311 -9.734 1.00 0.00 H new ATOM 0 HA MET A 47 26.564 2.997 -11.780 1.00 0.00 H new ATOM 0 HB2 MET A 47 25.372 1.548 -13.311 1.00 0.00 H new ATOM 0 HB3 MET A 47 26.165 0.564 -12.097 1.00 0.00 H new ATOM 0 HG2 MET A 47 23.857 0.683 -10.855 1.00 0.00 H new ATOM 0 HG3 MET A 47 23.231 1.162 -12.420 1.00 0.00 H new ATOM 0 HE1 MET A 47 24.711 -1.711 -14.617 1.00 0.00 H new ATOM 0 HE2 MET A 47 23.006 -1.200 -14.615 1.00 0.00 H new ATOM 0 HE3 MET A 47 24.300 0.016 -14.501 1.00 0.00 H new ATOM 764 N PRO A 48 24.848 4.745 -12.099 1.00 0.00 N ATOM 765 CA PRO A 48 23.859 5.781 -12.397 1.00 0.00 C ATOM 766 C PRO A 48 22.938 5.377 -13.544 1.00 0.00 C ATOM 767 O PRO A 48 23.281 4.509 -14.352 1.00 0.00 O ATOM 768 CB PRO A 48 24.700 6.997 -12.789 1.00 0.00 C ATOM 769 CG PRO A 48 26.044 6.466 -13.149 1.00 0.00 C ATOM 770 CD PRO A 48 26.222 5.176 -12.398 1.00 0.00 C ATOM 0 HA PRO A 48 23.202 5.969 -11.548 1.00 0.00 H new ATOM 0 HB2 PRO A 48 24.252 7.527 -13.629 1.00 0.00 H new ATOM 0 HB3 PRO A 48 24.769 7.707 -11.964 1.00 0.00 H new ATOM 0 HG2 PRO A 48 26.118 6.300 -14.224 1.00 0.00 H new ATOM 0 HG3 PRO A 48 26.824 7.179 -12.882 1.00 0.00 H new ATOM 0 HD2 PRO A 48 26.751 4.435 -12.997 1.00 0.00 H new ATOM 0 HD3 PRO A 48 26.802 5.322 -11.487 1.00 0.00 H new ATOM 778 N ALA A 49 21.779 6.021 -13.626 1.00 0.00 N ATOM 779 CA ALA A 49 20.793 5.705 -14.656 1.00 0.00 C ATOM 780 C ALA A 49 21.294 6.067 -16.054 1.00 0.00 C ATOM 781 O ALA A 49 20.646 5.765 -17.057 1.00 0.00 O ATOM 782 CB ALA A 49 19.495 6.432 -14.375 1.00 0.00 C ATOM 0 H ALA A 49 21.498 6.767 -12.990 1.00 0.00 H new ATOM 0 HA ALA A 49 20.625 4.628 -14.629 1.00 0.00 H new ATOM 0 HB1 ALA A 49 18.767 6.189 -15.149 1.00 0.00 H new ATOM 0 HB2 ALA A 49 19.108 6.124 -13.404 1.00 0.00 H new ATOM 0 HB3 ALA A 49 19.674 7.507 -14.370 1.00 0.00 H new ATOM 788 N GLY A 50 22.449 6.722 -16.110 1.00 0.00 N ATOM 789 CA GLY A 50 23.043 7.095 -17.379 1.00 0.00 C ATOM 790 C GLY A 50 23.370 5.894 -18.241 1.00 0.00 C ATOM 791 O GLY A 50 23.402 5.987 -19.468 1.00 0.00 O ATOM 0 H GLY A 50 22.988 7.003 -15.291 1.00 0.00 H new ATOM 0 HA2 GLY A 50 22.359 7.750 -17.918 1.00 0.00 H new ATOM 0 HA3 GLY A 50 23.953 7.666 -17.197 1.00 0.00 H new ATOM 795 N LYS A 51 23.614 4.759 -17.597 1.00 0.00 N ATOM 796 CA LYS A 51 23.999 3.549 -18.307 1.00 0.00 C ATOM 797 C LYS A 51 23.197 2.360 -17.802 1.00 0.00 C ATOM 798 O LYS A 51 23.322 1.250 -18.309 1.00 0.00 O ATOM 799 CB LYS A 51 25.498 3.255 -18.151 1.00 0.00 C ATOM 800 CG LYS A 51 26.329 4.385 -17.543 1.00 0.00 C ATOM 801 CD LYS A 51 26.090 4.527 -16.044 1.00 0.00 C ATOM 802 CE LYS A 51 26.235 3.205 -15.328 1.00 0.00 C ATOM 803 NZ LYS A 51 27.592 2.629 -15.519 1.00 0.00 N ATOM 0 H LYS A 51 23.552 4.653 -16.584 1.00 0.00 H new ATOM 0 HA LYS A 51 23.788 3.711 -19.364 1.00 0.00 H new ATOM 0 HB2 LYS A 51 25.614 2.367 -17.530 1.00 0.00 H new ATOM 0 HB3 LYS A 51 25.907 3.013 -19.132 1.00 0.00 H new ATOM 0 HG2 LYS A 51 27.387 4.195 -17.725 1.00 0.00 H new ATOM 0 HG3 LYS A 51 26.083 5.324 -18.040 1.00 0.00 H new ATOM 0 HD2 LYS A 51 26.797 5.245 -15.629 1.00 0.00 H new ATOM 0 HD3 LYS A 51 25.091 4.927 -15.871 1.00 0.00 H new ATOM 0 HE2 LYS A 51 26.044 3.343 -14.264 1.00 0.00 H new ATOM 0 HE3 LYS A 51 25.486 2.505 -15.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 27.637 1.691 -15.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 27.791 2.538 -16.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 28.299 3.255 -15.083 1.00 0.00 H new ATOM 817 N GLN A 52 22.378 2.604 -16.799 1.00 0.00 N ATOM 818 CA GLN A 52 21.581 1.571 -16.180 1.00 0.00 C ATOM 819 C GLN A 52 20.161 1.607 -16.747 1.00 0.00 C ATOM 820 O GLN A 52 19.463 2.615 -16.654 1.00 0.00 O ATOM 821 CB GLN A 52 21.642 1.777 -14.664 1.00 0.00 C ATOM 822 CG GLN A 52 20.384 1.446 -13.883 1.00 0.00 C ATOM 823 CD GLN A 52 19.663 2.687 -13.404 1.00 0.00 C ATOM 824 OE1 GLN A 52 18.686 3.128 -13.995 1.00 0.00 O ATOM 825 NE2 GLN A 52 20.207 3.310 -12.379 1.00 0.00 N ATOM 0 H GLN A 52 22.248 3.529 -16.390 1.00 0.00 H new ATOM 0 HA GLN A 52 21.965 0.574 -16.398 1.00 0.00 H new ATOM 0 HB2 GLN A 52 22.457 1.170 -14.270 1.00 0.00 H new ATOM 0 HB3 GLN A 52 21.898 2.819 -14.472 1.00 0.00 H new ATOM 0 HG2 GLN A 52 19.714 0.858 -14.510 1.00 0.00 H new ATOM 0 HG3 GLN A 52 20.644 0.826 -13.025 1.00 0.00 H new ATOM 0 HE21 GLN A 52 21.021 2.910 -11.913 1.00 0.00 H new ATOM 0 HE22 GLN A 52 19.814 4.193 -12.052 1.00 0.00 H new ATOM 834 N LYS A 53 19.780 0.525 -17.405 1.00 0.00 N ATOM 835 CA LYS A 53 18.476 0.422 -18.041 1.00 0.00 C ATOM 836 C LYS A 53 17.550 -0.472 -17.225 1.00 0.00 C ATOM 837 O LYS A 53 17.981 -1.491 -16.681 1.00 0.00 O ATOM 838 CB LYS A 53 18.614 -0.153 -19.455 1.00 0.00 C ATOM 839 CG LYS A 53 19.563 0.608 -20.374 1.00 0.00 C ATOM 840 CD LYS A 53 18.919 1.849 -20.987 1.00 0.00 C ATOM 841 CE LYS A 53 18.890 3.028 -20.026 1.00 0.00 C ATOM 842 NZ LYS A 53 18.358 4.256 -20.673 1.00 0.00 N ATOM 0 H LYS A 53 20.363 -0.305 -17.514 1.00 0.00 H new ATOM 0 HA LYS A 53 18.050 1.424 -18.097 1.00 0.00 H new ATOM 0 HB2 LYS A 53 18.957 -1.185 -19.379 1.00 0.00 H new ATOM 0 HB3 LYS A 53 17.627 -0.178 -19.918 1.00 0.00 H new ATOM 0 HG2 LYS A 53 20.449 0.903 -19.811 1.00 0.00 H new ATOM 0 HG3 LYS A 53 19.899 -0.054 -21.172 1.00 0.00 H new ATOM 0 HD2 LYS A 53 19.466 2.131 -21.886 1.00 0.00 H new ATOM 0 HD3 LYS A 53 17.901 1.611 -21.295 1.00 0.00 H new ATOM 0 HE2 LYS A 53 18.275 2.777 -19.162 1.00 0.00 H new ATOM 0 HE3 LYS A 53 19.897 3.220 -19.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 18.354 5.037 -19.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 18.959 4.510 -21.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 17.388 4.081 -21.004 1.00 0.00 H new ATOM 856 N LEU A 54 16.282 -0.090 -17.148 1.00 0.00 N ATOM 857 CA LEU A 54 15.284 -0.882 -16.440 1.00 0.00 C ATOM 858 C LEU A 54 14.260 -1.415 -17.434 1.00 0.00 C ATOM 859 O LEU A 54 13.622 -0.647 -18.150 1.00 0.00 O ATOM 860 CB LEU A 54 14.552 -0.064 -15.358 1.00 0.00 C ATOM 861 CG LEU A 54 15.419 0.674 -14.329 1.00 0.00 C ATOM 862 CD1 LEU A 54 16.571 -0.197 -13.867 1.00 0.00 C ATOM 863 CD2 LEU A 54 15.919 1.996 -14.890 1.00 0.00 C ATOM 0 H LEU A 54 15.919 0.766 -17.568 1.00 0.00 H new ATOM 0 HA LEU A 54 15.807 -1.701 -15.947 1.00 0.00 H new ATOM 0 HB2 LEU A 54 13.923 0.672 -15.859 1.00 0.00 H new ATOM 0 HB3 LEU A 54 13.887 -0.738 -14.818 1.00 0.00 H new ATOM 0 HG LEU A 54 14.799 0.894 -13.460 1.00 0.00 H new ATOM 0 HD11 LEU A 54 17.170 0.349 -13.138 1.00 0.00 H new ATOM 0 HD12 LEU A 54 16.179 -1.105 -13.408 1.00 0.00 H new ATOM 0 HD13 LEU A 54 17.193 -0.462 -14.722 1.00 0.00 H new ATOM 0 HD21 LEU A 54 16.531 2.500 -14.142 1.00 0.00 H new ATOM 0 HD22 LEU A 54 16.517 1.810 -15.782 1.00 0.00 H new ATOM 0 HD23 LEU A 54 15.068 2.627 -15.148 1.00 0.00 H new ATOM 875 N GLN A 55 14.110 -2.722 -17.487 1.00 0.00 N ATOM 876 CA GLN A 55 13.162 -3.340 -18.396 1.00 0.00 C ATOM 877 C GLN A 55 12.007 -3.991 -17.640 1.00 0.00 C ATOM 878 O GLN A 55 12.201 -4.923 -16.868 1.00 0.00 O ATOM 879 CB GLN A 55 13.873 -4.377 -19.254 1.00 0.00 C ATOM 880 CG GLN A 55 12.926 -5.339 -19.948 1.00 0.00 C ATOM 881 CD GLN A 55 13.641 -6.494 -20.613 1.00 0.00 C ATOM 882 OE1 GLN A 55 13.888 -7.524 -19.990 1.00 0.00 O ATOM 883 NE2 GLN A 55 13.957 -6.336 -21.886 1.00 0.00 N ATOM 0 H GLN A 55 14.633 -3.380 -16.910 1.00 0.00 H new ATOM 0 HA GLN A 55 12.746 -2.560 -19.034 1.00 0.00 H new ATOM 0 HB2 GLN A 55 14.474 -3.865 -20.006 1.00 0.00 H new ATOM 0 HB3 GLN A 55 14.561 -4.945 -18.628 1.00 0.00 H new ATOM 0 HG2 GLN A 55 12.215 -5.730 -19.220 1.00 0.00 H new ATOM 0 HG3 GLN A 55 12.349 -4.796 -20.697 1.00 0.00 H new ATOM 0 HE21 GLN A 55 13.732 -5.463 -22.363 1.00 0.00 H new ATOM 0 HE22 GLN A 55 14.426 -7.087 -22.392 1.00 0.00 H new ATOM 892 N TYR A 56 10.806 -3.503 -17.880 1.00 0.00 N ATOM 893 CA TYR A 56 9.612 -4.064 -17.271 1.00 0.00 C ATOM 894 C TYR A 56 8.821 -4.836 -18.296 1.00 0.00 C ATOM 895 O TYR A 56 8.292 -4.264 -19.244 1.00 0.00 O ATOM 896 CB TYR A 56 8.758 -2.968 -16.641 1.00 0.00 C ATOM 897 CG TYR A 56 7.379 -3.424 -16.186 1.00 0.00 C ATOM 898 CD1 TYR A 56 7.229 -4.473 -15.287 1.00 0.00 C ATOM 899 CD2 TYR A 56 6.230 -2.810 -16.670 1.00 0.00 C ATOM 900 CE1 TYR A 56 5.978 -4.894 -14.883 1.00 0.00 C ATOM 901 CE2 TYR A 56 4.976 -3.230 -16.273 1.00 0.00 C ATOM 902 CZ TYR A 56 4.856 -4.270 -15.380 1.00 0.00 C ATOM 903 OH TYR A 56 3.606 -4.691 -14.992 1.00 0.00 O ATOM 0 H TYR A 56 10.629 -2.711 -18.498 1.00 0.00 H new ATOM 0 HA TYR A 56 9.915 -4.748 -16.479 1.00 0.00 H new ATOM 0 HB2 TYR A 56 9.292 -2.557 -15.784 1.00 0.00 H new ATOM 0 HB3 TYR A 56 8.640 -2.158 -17.361 1.00 0.00 H new ATOM 0 HD1 TYR A 56 8.107 -4.968 -14.898 1.00 0.00 H new ATOM 0 HD2 TYR A 56 6.319 -1.991 -17.368 1.00 0.00 H new ATOM 0 HE1 TYR A 56 5.880 -5.709 -14.181 1.00 0.00 H new ATOM 0 HE2 TYR A 56 4.093 -2.744 -16.662 1.00 0.00 H new ATOM 0 HH TYR A 56 2.924 -4.143 -15.435 1.00 0.00 H new ATOM 913 N GLU A 57 8.786 -6.144 -18.103 1.00 0.00 N ATOM 914 CA GLU A 57 8.052 -7.047 -18.976 1.00 0.00 C ATOM 915 C GLU A 57 8.524 -6.926 -20.422 1.00 0.00 C ATOM 916 O GLU A 57 7.763 -7.162 -21.361 1.00 0.00 O ATOM 917 CB GLU A 57 6.559 -6.750 -18.874 1.00 0.00 C ATOM 918 CG GLU A 57 6.007 -6.984 -17.483 1.00 0.00 C ATOM 919 CD GLU A 57 6.079 -8.438 -17.065 1.00 0.00 C ATOM 920 OE1 GLU A 57 7.158 -8.885 -16.627 1.00 0.00 O ATOM 921 OE2 GLU A 57 5.060 -9.148 -17.189 1.00 0.00 O ATOM 0 H GLU A 57 9.267 -6.612 -17.335 1.00 0.00 H new ATOM 0 HA GLU A 57 8.241 -8.071 -18.655 1.00 0.00 H new ATOM 0 HB2 GLU A 57 6.379 -5.714 -19.162 1.00 0.00 H new ATOM 0 HB3 GLU A 57 6.019 -7.377 -19.584 1.00 0.00 H new ATOM 0 HG2 GLU A 57 6.563 -6.376 -16.769 1.00 0.00 H new ATOM 0 HG3 GLU A 57 4.970 -6.650 -17.447 1.00 0.00 H new ATOM 928 N GLY A 58 9.794 -6.581 -20.591 1.00 0.00 N ATOM 929 CA GLY A 58 10.361 -6.470 -21.924 1.00 0.00 C ATOM 930 C GLY A 58 10.331 -5.046 -22.448 1.00 0.00 C ATOM 931 O GLY A 58 10.616 -4.798 -23.620 1.00 0.00 O ATOM 0 H GLY A 58 10.442 -6.376 -19.831 1.00 0.00 H new ATOM 0 HA2 GLY A 58 11.391 -6.827 -21.909 1.00 0.00 H new ATOM 0 HA3 GLY A 58 9.809 -7.117 -22.606 1.00 0.00 H new ATOM 935 N ILE A 59 10.007 -4.107 -21.573 1.00 0.00 N ATOM 936 CA ILE A 59 9.886 -2.714 -21.953 1.00 0.00 C ATOM 937 C ILE A 59 10.925 -1.901 -21.207 1.00 0.00 C ATOM 938 O ILE A 59 10.901 -1.843 -19.980 1.00 0.00 O ATOM 939 CB ILE A 59 8.486 -2.163 -21.612 1.00 0.00 C ATOM 940 CG1 ILE A 59 7.406 -3.171 -22.024 1.00 0.00 C ATOM 941 CG2 ILE A 59 8.267 -0.822 -22.300 1.00 0.00 C ATOM 942 CD1 ILE A 59 6.004 -2.770 -21.617 1.00 0.00 C ATOM 0 H ILE A 59 9.822 -4.290 -20.587 1.00 0.00 H new ATOM 0 HA ILE A 59 10.039 -2.639 -23.030 1.00 0.00 H new ATOM 0 HB ILE A 59 8.418 -2.010 -20.535 1.00 0.00 H new ATOM 0 HG12 ILE A 59 7.437 -3.299 -23.106 1.00 0.00 H new ATOM 0 HG13 ILE A 59 7.639 -4.139 -21.581 1.00 0.00 H new ATOM 0 HG21 ILE A 59 7.276 -0.443 -22.052 1.00 0.00 H new ATOM 0 HG22 ILE A 59 9.022 -0.112 -21.962 1.00 0.00 H new ATOM 0 HG23 ILE A 59 8.347 -0.950 -23.380 1.00 0.00 H new ATOM 0 HD11 ILE A 59 5.298 -3.533 -21.944 1.00 0.00 H new ATOM 0 HD12 ILE A 59 5.954 -2.670 -20.533 1.00 0.00 H new ATOM 0 HD13 ILE A 59 5.749 -1.817 -22.081 1.00 0.00 H new ATOM 954 N PHE A 60 11.845 -1.298 -21.929 1.00 0.00 N ATOM 955 CA PHE A 60 12.870 -0.496 -21.296 1.00 0.00 C ATOM 956 C PHE A 60 12.299 0.843 -20.880 1.00 0.00 C ATOM 957 O PHE A 60 12.231 1.790 -21.666 1.00 0.00 O ATOM 958 CB PHE A 60 14.073 -0.327 -22.211 1.00 0.00 C ATOM 959 CG PHE A 60 14.898 -1.575 -22.306 1.00 0.00 C ATOM 960 CD1 PHE A 60 14.548 -2.589 -23.180 1.00 0.00 C ATOM 961 CD2 PHE A 60 16.024 -1.730 -21.519 1.00 0.00 C ATOM 962 CE1 PHE A 60 15.309 -3.739 -23.267 1.00 0.00 C ATOM 963 CE2 PHE A 60 16.790 -2.877 -21.600 1.00 0.00 C ATOM 964 CZ PHE A 60 16.433 -3.882 -22.478 1.00 0.00 C ATOM 0 H PHE A 60 11.905 -1.347 -22.946 1.00 0.00 H new ATOM 0 HA PHE A 60 13.215 -1.013 -20.401 1.00 0.00 H new ATOM 0 HB2 PHE A 60 13.732 -0.043 -23.207 1.00 0.00 H new ATOM 0 HB3 PHE A 60 14.695 0.489 -21.843 1.00 0.00 H new ATOM 0 HD1 PHE A 60 13.671 -2.480 -23.801 1.00 0.00 H new ATOM 0 HD2 PHE A 60 16.308 -0.946 -20.833 1.00 0.00 H new ATOM 0 HE1 PHE A 60 15.025 -4.525 -23.951 1.00 0.00 H new ATOM 0 HE2 PHE A 60 17.666 -2.988 -20.978 1.00 0.00 H new ATOM 0 HZ PHE A 60 17.032 -4.778 -22.547 1.00 0.00 H new ATOM 974 N ILE A 61 11.857 0.884 -19.639 1.00 0.00 N ATOM 975 CA ILE A 61 11.179 2.047 -19.086 1.00 0.00 C ATOM 976 C ILE A 61 12.172 3.152 -18.734 1.00 0.00 C ATOM 977 O ILE A 61 13.378 2.921 -18.659 1.00 0.00 O ATOM 978 CB ILE A 61 10.372 1.656 -17.829 1.00 0.00 C ATOM 979 CG1 ILE A 61 11.322 1.391 -16.648 1.00 0.00 C ATOM 980 CG2 ILE A 61 9.506 0.435 -18.124 1.00 0.00 C ATOM 981 CD1 ILE A 61 11.122 0.058 -15.953 1.00 0.00 C ATOM 0 H ILE A 61 11.957 0.111 -18.981 1.00 0.00 H new ATOM 0 HA ILE A 61 10.498 2.424 -19.849 1.00 0.00 H new ATOM 0 HB ILE A 61 9.715 2.481 -17.554 1.00 0.00 H new ATOM 0 HG12 ILE A 61 12.349 1.446 -17.008 1.00 0.00 H new ATOM 0 HG13 ILE A 61 11.198 2.188 -15.915 1.00 0.00 H new ATOM 0 HG21 ILE A 61 8.940 0.166 -17.232 1.00 0.00 H new ATOM 0 HG22 ILE A 61 8.816 0.666 -18.936 1.00 0.00 H new ATOM 0 HG23 ILE A 61 10.142 -0.401 -18.416 1.00 0.00 H new ATOM 0 HD11 ILE A 61 11.837 -0.037 -15.136 1.00 0.00 H new ATOM 0 HD12 ILE A 61 10.108 0.003 -15.557 1.00 0.00 H new ATOM 0 HD13 ILE A 61 11.277 -0.751 -16.667 1.00 0.00 H new ATOM 993 N LYS A 62 11.652 4.350 -18.512 1.00 0.00 N ATOM 994 CA LYS A 62 12.483 5.493 -18.175 1.00 0.00 C ATOM 995 C LYS A 62 11.821 6.330 -17.084 1.00 0.00 C ATOM 996 O LYS A 62 10.662 6.095 -16.734 1.00 0.00 O ATOM 997 CB LYS A 62 12.768 6.340 -19.417 1.00 0.00 C ATOM 998 CG LYS A 62 11.532 6.822 -20.153 1.00 0.00 C ATOM 999 CD LYS A 62 11.071 5.849 -21.226 1.00 0.00 C ATOM 1000 CE LYS A 62 9.913 6.427 -22.033 1.00 0.00 C ATOM 1001 NZ LYS A 62 10.364 7.450 -23.015 1.00 0.00 N ATOM 0 H LYS A 62 10.654 4.555 -18.560 1.00 0.00 H new ATOM 0 HA LYS A 62 13.436 5.127 -17.793 1.00 0.00 H new ATOM 0 HB2 LYS A 62 13.359 7.207 -19.121 1.00 0.00 H new ATOM 0 HB3 LYS A 62 13.380 5.757 -20.105 1.00 0.00 H new ATOM 0 HG2 LYS A 62 10.725 6.976 -19.437 1.00 0.00 H new ATOM 0 HG3 LYS A 62 11.741 7.789 -20.611 1.00 0.00 H new ATOM 0 HD2 LYS A 62 11.902 5.617 -21.892 1.00 0.00 H new ATOM 0 HD3 LYS A 62 10.763 4.912 -20.763 1.00 0.00 H new ATOM 0 HE2 LYS A 62 9.402 5.621 -22.560 1.00 0.00 H new ATOM 0 HE3 LYS A 62 9.187 6.874 -21.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 9.548 7.789 -23.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 10.798 8.249 -22.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 11.062 7.028 -23.660 1.00 0.00 H new ATOM 1015 N ASP A 63 12.550 7.314 -16.564 1.00 0.00 N ATOM 1016 CA ASP A 63 12.088 8.099 -15.417 1.00 0.00 C ATOM 1017 C ASP A 63 10.960 9.055 -15.788 1.00 0.00 C ATOM 1018 O ASP A 63 10.380 9.710 -14.920 1.00 0.00 O ATOM 1019 CB ASP A 63 13.248 8.882 -14.798 1.00 0.00 C ATOM 1020 CG ASP A 63 13.811 9.943 -15.724 1.00 0.00 C ATOM 1021 OD1 ASP A 63 14.719 9.616 -16.515 1.00 0.00 O ATOM 1022 OD2 ASP A 63 13.359 11.104 -15.651 1.00 0.00 O ATOM 0 H ASP A 63 13.466 7.589 -16.918 1.00 0.00 H new ATOM 0 HA ASP A 63 11.696 7.391 -14.687 1.00 0.00 H new ATOM 0 HB2 ASP A 63 12.908 9.355 -13.877 1.00 0.00 H new ATOM 0 HB3 ASP A 63 14.043 8.188 -14.525 1.00 0.00 H new ATOM 1027 N SER A 64 10.637 9.131 -17.069 1.00 0.00 N ATOM 1028 CA SER A 64 9.528 9.963 -17.515 1.00 0.00 C ATOM 1029 C SER A 64 8.205 9.229 -17.315 1.00 0.00 C ATOM 1030 O SER A 64 7.126 9.783 -17.540 1.00 0.00 O ATOM 1031 CB SER A 64 9.704 10.343 -18.987 1.00 0.00 C ATOM 1032 OG SER A 64 9.867 9.192 -19.790 1.00 0.00 O ATOM 0 H SER A 64 11.122 8.631 -17.814 1.00 0.00 H new ATOM 0 HA SER A 64 9.517 10.876 -16.919 1.00 0.00 H new ATOM 0 HB2 SER A 64 8.836 10.908 -19.327 1.00 0.00 H new ATOM 0 HB3 SER A 64 10.571 10.994 -19.097 1.00 0.00 H new ATOM 0 HG SER A 64 9.976 9.459 -20.727 1.00 0.00 H new ATOM 1038 N ASN A 65 8.307 7.981 -16.871 1.00 0.00 N ATOM 1039 CA ASN A 65 7.150 7.127 -16.670 1.00 0.00 C ATOM 1040 C ASN A 65 6.981 6.836 -15.191 1.00 0.00 C ATOM 1041 O ASN A 65 7.845 7.174 -14.381 1.00 0.00 O ATOM 1042 CB ASN A 65 7.317 5.810 -17.431 1.00 0.00 C ATOM 1043 CG ASN A 65 7.491 6.008 -18.923 1.00 0.00 C ATOM 1044 OD1 ASN A 65 8.263 5.130 -19.543 1.00 0.00 O flip ATOM 1045 ND2 ASN A 65 6.945 6.935 -19.513 1.00 0.00 N flip ATOM 0 H ASN A 65 9.196 7.536 -16.641 1.00 0.00 H new ATOM 0 HA ASN A 65 6.267 7.643 -17.047 1.00 0.00 H new ATOM 0 HB2 ASN A 65 8.182 5.276 -17.037 1.00 0.00 H new ATOM 0 HB3 ASN A 65 6.445 5.180 -17.253 1.00 0.00 H new ATOM 0 HD21 ASN A 65 6.357 7.591 -18.999 1.00 0.00 H new ATOM 0 HD22 ASN A 65 7.079 7.050 -20.518 1.00 0.00 H new ATOM 1052 N SER A 66 5.888 6.193 -14.841 1.00 0.00 N ATOM 1053 CA SER A 66 5.611 5.869 -13.462 1.00 0.00 C ATOM 1054 C SER A 66 5.180 4.419 -13.352 1.00 0.00 C ATOM 1055 O SER A 66 4.904 3.772 -14.368 1.00 0.00 O ATOM 1056 CB SER A 66 4.532 6.806 -12.913 1.00 0.00 C ATOM 1057 OG SER A 66 3.342 6.727 -13.682 1.00 0.00 O ATOM 0 H SER A 66 5.173 5.883 -15.499 1.00 0.00 H new ATOM 0 HA SER A 66 6.515 6.004 -12.868 1.00 0.00 H new ATOM 0 HB2 SER A 66 4.316 6.548 -11.876 1.00 0.00 H new ATOM 0 HB3 SER A 66 4.902 7.831 -12.915 1.00 0.00 H new ATOM 0 HG SER A 66 2.670 7.334 -13.308 1.00 0.00 H new ATOM 1063 N LEU A 67 5.133 3.905 -12.134 1.00 0.00 N ATOM 1064 CA LEU A 67 4.727 2.527 -11.910 1.00 0.00 C ATOM 1065 C LEU A 67 3.274 2.351 -12.332 1.00 0.00 C ATOM 1066 O LEU A 67 2.924 1.390 -13.020 1.00 0.00 O ATOM 1067 CB LEU A 67 4.893 2.161 -10.435 1.00 0.00 C ATOM 1068 CG LEU A 67 6.215 2.601 -9.798 1.00 0.00 C ATOM 1069 CD1 LEU A 67 6.198 2.347 -8.303 1.00 0.00 C ATOM 1070 CD2 LEU A 67 7.393 1.889 -10.441 1.00 0.00 C ATOM 0 H LEU A 67 5.371 4.420 -11.286 1.00 0.00 H new ATOM 0 HA LEU A 67 5.358 1.866 -12.505 1.00 0.00 H new ATOM 0 HB2 LEU A 67 4.072 2.605 -9.872 1.00 0.00 H new ATOM 0 HB3 LEU A 67 4.801 1.080 -10.333 1.00 0.00 H new ATOM 0 HG LEU A 67 6.329 3.672 -9.968 1.00 0.00 H new ATOM 0 HD11 LEU A 67 7.146 2.666 -7.869 1.00 0.00 H new ATOM 0 HD12 LEU A 67 5.383 2.909 -7.848 1.00 0.00 H new ATOM 0 HD13 LEU A 67 6.053 1.283 -8.116 1.00 0.00 H new ATOM 0 HD21 LEU A 67 8.319 2.220 -9.970 1.00 0.00 H new ATOM 0 HD22 LEU A 67 7.283 0.813 -10.310 1.00 0.00 H new ATOM 0 HD23 LEU A 67 7.423 2.123 -11.505 1.00 0.00 H new ATOM 1082 N ALA A 68 2.440 3.307 -11.924 1.00 0.00 N ATOM 1083 CA ALA A 68 1.028 3.327 -12.300 1.00 0.00 C ATOM 1084 C ALA A 68 0.859 3.367 -13.810 1.00 0.00 C ATOM 1085 O ALA A 68 -0.040 2.733 -14.354 1.00 0.00 O ATOM 1086 CB ALA A 68 0.324 4.521 -11.667 1.00 0.00 C ATOM 0 H ALA A 68 2.722 4.085 -11.327 1.00 0.00 H new ATOM 0 HA ALA A 68 0.574 2.408 -11.930 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -0.727 4.520 -11.958 1.00 0.00 H new ATOM 0 HB2 ALA A 68 0.400 4.455 -10.582 1.00 0.00 H new ATOM 0 HB3 ALA A 68 0.794 5.443 -12.008 1.00 0.00 H new ATOM 1092 N TYR A 69 1.738 4.099 -14.483 1.00 0.00 N ATOM 1093 CA TYR A 69 1.681 4.224 -15.932 1.00 0.00 C ATOM 1094 C TYR A 69 1.756 2.854 -16.604 1.00 0.00 C ATOM 1095 O TYR A 69 0.989 2.562 -17.520 1.00 0.00 O ATOM 1096 CB TYR A 69 2.811 5.128 -16.426 1.00 0.00 C ATOM 1097 CG TYR A 69 2.906 5.218 -17.930 1.00 0.00 C ATOM 1098 CD1 TYR A 69 2.019 5.999 -18.659 1.00 0.00 C ATOM 1099 CD2 TYR A 69 3.877 4.510 -18.622 1.00 0.00 C ATOM 1100 CE1 TYR A 69 2.101 6.070 -20.035 1.00 0.00 C ATOM 1101 CE2 TYR A 69 3.966 4.577 -19.994 1.00 0.00 C ATOM 1102 CZ TYR A 69 3.076 5.356 -20.699 1.00 0.00 C ATOM 1103 OH TYR A 69 3.159 5.420 -22.072 1.00 0.00 O ATOM 0 H TYR A 69 2.501 4.616 -14.046 1.00 0.00 H new ATOM 0 HA TYR A 69 0.726 4.676 -16.201 1.00 0.00 H new ATOM 0 HB2 TYR A 69 2.667 6.129 -16.020 1.00 0.00 H new ATOM 0 HB3 TYR A 69 3.758 4.758 -16.033 1.00 0.00 H new ATOM 0 HD1 TYR A 69 1.254 6.559 -18.142 1.00 0.00 H new ATOM 0 HD2 TYR A 69 4.576 3.895 -18.075 1.00 0.00 H new ATOM 0 HE1 TYR A 69 1.405 6.682 -20.589 1.00 0.00 H new ATOM 0 HE2 TYR A 69 4.731 4.021 -20.515 1.00 0.00 H new ATOM 0 HH TYR A 69 3.901 4.859 -22.381 1.00 0.00 H new ATOM 1113 N TYR A 70 2.666 2.013 -16.131 1.00 0.00 N ATOM 1114 CA TYR A 70 2.825 0.673 -16.693 1.00 0.00 C ATOM 1115 C TYR A 70 1.930 -0.340 -15.989 1.00 0.00 C ATOM 1116 O TYR A 70 1.931 -1.521 -16.339 1.00 0.00 O ATOM 1117 CB TYR A 70 4.279 0.219 -16.602 1.00 0.00 C ATOM 1118 CG TYR A 70 5.167 0.813 -17.668 1.00 0.00 C ATOM 1119 CD1 TYR A 70 5.237 0.238 -18.930 1.00 0.00 C ATOM 1120 CD2 TYR A 70 5.923 1.947 -17.419 1.00 0.00 C ATOM 1121 CE1 TYR A 70 6.044 0.775 -19.912 1.00 0.00 C ATOM 1122 CE2 TYR A 70 6.731 2.491 -18.397 1.00 0.00 C ATOM 1123 CZ TYR A 70 6.784 1.905 -19.644 1.00 0.00 C ATOM 1124 OH TYR A 70 7.590 2.443 -20.621 1.00 0.00 O ATOM 0 H TYR A 70 3.303 2.230 -15.364 1.00 0.00 H new ATOM 0 HA TYR A 70 2.528 0.726 -17.740 1.00 0.00 H new ATOM 0 HB2 TYR A 70 4.674 0.487 -15.622 1.00 0.00 H new ATOM 0 HB3 TYR A 70 4.316 -0.868 -16.674 1.00 0.00 H new ATOM 0 HD1 TYR A 70 4.651 -0.643 -19.146 1.00 0.00 H new ATOM 0 HD2 TYR A 70 5.879 2.412 -16.445 1.00 0.00 H new ATOM 0 HE1 TYR A 70 6.095 0.311 -20.886 1.00 0.00 H new ATOM 0 HE2 TYR A 70 7.319 3.372 -18.186 1.00 0.00 H new ATOM 0 HH TYR A 70 7.856 3.350 -20.363 1.00 0.00 H new ATOM 1134 N ASN A 71 1.172 0.132 -15.004 1.00 0.00 N ATOM 1135 CA ASN A 71 0.299 -0.732 -14.208 1.00 0.00 C ATOM 1136 C ASN A 71 1.113 -1.798 -13.486 1.00 0.00 C ATOM 1137 O ASN A 71 0.718 -2.961 -13.446 1.00 0.00 O ATOM 1138 CB ASN A 71 -0.780 -1.406 -15.073 1.00 0.00 C ATOM 1139 CG ASN A 71 -1.948 -0.495 -15.424 1.00 0.00 C ATOM 1140 OD1 ASN A 71 -1.697 0.800 -15.530 1.00 0.00 O flip ATOM 1141 ND2 ASN A 71 -3.075 -0.957 -15.593 1.00 0.00 N flip ATOM 0 H ASN A 71 1.143 1.115 -14.735 1.00 0.00 H new ATOM 0 HA ASN A 71 -0.199 -0.097 -13.475 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -0.321 -1.764 -15.995 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -1.160 -2.281 -14.546 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -3.233 -1.961 -15.504 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -3.851 -0.337 -15.823 1.00 0.00 H new ATOM 1148 N MET A 72 2.258 -1.398 -12.934 1.00 0.00 N ATOM 1149 CA MET A 72 3.084 -2.302 -12.138 1.00 0.00 C ATOM 1150 C MET A 72 2.357 -2.725 -10.865 1.00 0.00 C ATOM 1151 O MET A 72 2.508 -2.105 -9.814 1.00 0.00 O ATOM 1152 CB MET A 72 4.415 -1.645 -11.767 1.00 0.00 C ATOM 1153 CG MET A 72 5.306 -1.337 -12.954 1.00 0.00 C ATOM 1154 SD MET A 72 6.907 -0.685 -12.456 1.00 0.00 S ATOM 1155 CE MET A 72 7.743 -0.579 -14.032 1.00 0.00 C ATOM 0 H MET A 72 2.634 -0.454 -13.024 1.00 0.00 H new ATOM 0 HA MET A 72 3.281 -3.185 -12.747 1.00 0.00 H new ATOM 0 HB2 MET A 72 4.213 -0.719 -11.228 1.00 0.00 H new ATOM 0 HB3 MET A 72 4.953 -2.301 -11.083 1.00 0.00 H new ATOM 0 HG2 MET A 72 5.452 -2.244 -13.541 1.00 0.00 H new ATOM 0 HG3 MET A 72 4.808 -0.615 -13.602 1.00 0.00 H new ATOM 0 HE1 MET A 72 8.690 -1.116 -13.978 1.00 0.00 H new ATOM 0 HE2 MET A 72 7.117 -1.023 -14.806 1.00 0.00 H new ATOM 0 HE3 MET A 72 7.932 0.467 -14.274 1.00 0.00 H new ATOM 1165 N ALA A 73 1.543 -3.761 -10.983 1.00 0.00 N ATOM 1166 CA ALA A 73 0.814 -4.301 -9.846 1.00 0.00 C ATOM 1167 C ALA A 73 1.727 -5.148 -8.965 1.00 0.00 C ATOM 1168 O ALA A 73 2.939 -5.215 -9.192 1.00 0.00 O ATOM 1169 CB ALA A 73 -0.368 -5.125 -10.338 1.00 0.00 C ATOM 0 H ALA A 73 1.369 -4.249 -11.862 1.00 0.00 H new ATOM 0 HA ALA A 73 0.444 -3.472 -9.243 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -0.912 -5.528 -9.483 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -1.033 -4.492 -10.926 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.007 -5.946 -10.958 1.00 0.00 H new ATOM 1175 N ASN A 74 1.143 -5.791 -7.960 1.00 0.00 N ATOM 1176 CA ASN A 74 1.897 -6.671 -7.079 1.00 0.00 C ATOM 1177 C ASN A 74 2.548 -7.783 -7.882 1.00 0.00 C ATOM 1178 O ASN A 74 1.865 -8.602 -8.499 1.00 0.00 O ATOM 1179 CB ASN A 74 1.000 -7.275 -5.991 1.00 0.00 C ATOM 1180 CG ASN A 74 0.662 -6.288 -4.891 1.00 0.00 C ATOM 1181 OD1 ASN A 74 1.391 -6.169 -3.905 1.00 0.00 O ATOM 1182 ND2 ASN A 74 -0.444 -5.575 -5.046 1.00 0.00 N ATOM 0 H ASN A 74 0.150 -5.719 -7.736 1.00 0.00 H new ATOM 0 HA ASN A 74 2.668 -6.074 -6.593 1.00 0.00 H new ATOM 0 HB2 ASN A 74 0.077 -7.634 -6.446 1.00 0.00 H new ATOM 0 HB3 ASN A 74 1.499 -8.141 -5.555 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -0.718 -4.898 -4.334 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -1.021 -5.703 -5.877 1.00 0.00 H new ATOM 1189 N GLY A 75 3.868 -7.800 -7.883 1.00 0.00 N ATOM 1190 CA GLY A 75 4.587 -8.779 -8.658 1.00 0.00 C ATOM 1191 C GLY A 75 5.154 -8.199 -9.935 1.00 0.00 C ATOM 1192 O GLY A 75 5.177 -8.867 -10.966 1.00 0.00 O ATOM 0 H GLY A 75 4.455 -7.151 -7.359 1.00 0.00 H new ATOM 0 HA2 GLY A 75 5.398 -9.190 -8.057 1.00 0.00 H new ATOM 0 HA3 GLY A 75 3.921 -9.606 -8.902 1.00 0.00 H new ATOM 1196 N ALA A 76 5.606 -6.951 -9.877 1.00 0.00 N ATOM 1197 CA ALA A 76 6.232 -6.329 -11.030 1.00 0.00 C ATOM 1198 C ALA A 76 7.695 -6.734 -11.095 1.00 0.00 C ATOM 1199 O ALA A 76 8.480 -6.403 -10.206 1.00 0.00 O ATOM 1200 CB ALA A 76 6.094 -4.820 -10.957 1.00 0.00 C ATOM 0 H ALA A 76 5.550 -6.357 -9.050 1.00 0.00 H new ATOM 0 HA ALA A 76 5.732 -6.669 -11.937 1.00 0.00 H new ATOM 0 HB1 ALA A 76 6.568 -4.369 -11.828 1.00 0.00 H new ATOM 0 HB2 ALA A 76 5.038 -4.552 -10.939 1.00 0.00 H new ATOM 0 HB3 ALA A 76 6.577 -4.454 -10.051 1.00 0.00 H new ATOM 1206 N VAL A 77 8.054 -7.469 -12.132 1.00 0.00 N ATOM 1207 CA VAL A 77 9.421 -7.942 -12.288 1.00 0.00 C ATOM 1208 C VAL A 77 10.177 -7.087 -13.296 1.00 0.00 C ATOM 1209 O VAL A 77 9.970 -7.206 -14.506 1.00 0.00 O ATOM 1210 CB VAL A 77 9.468 -9.419 -12.743 1.00 0.00 C ATOM 1211 CG1 VAL A 77 10.904 -9.926 -12.806 1.00 0.00 C ATOM 1212 CG2 VAL A 77 8.631 -10.292 -11.823 1.00 0.00 C ATOM 0 H VAL A 77 7.420 -7.752 -12.879 1.00 0.00 H new ATOM 0 HA VAL A 77 9.896 -7.863 -11.310 1.00 0.00 H new ATOM 0 HB VAL A 77 9.046 -9.475 -13.746 1.00 0.00 H new ATOM 0 HG11 VAL A 77 10.908 -10.967 -13.129 1.00 0.00 H new ATOM 0 HG12 VAL A 77 11.472 -9.324 -13.515 1.00 0.00 H new ATOM 0 HG13 VAL A 77 11.360 -9.850 -11.819 1.00 0.00 H new ATOM 0 HG21 VAL A 77 8.678 -11.327 -12.161 1.00 0.00 H new ATOM 0 HG22 VAL A 77 9.018 -10.225 -10.806 1.00 0.00 H new ATOM 0 HG23 VAL A 77 7.596 -9.951 -11.841 1.00 0.00 H new ATOM 1222 N ILE A 78 11.037 -6.214 -12.798 1.00 0.00 N ATOM 1223 CA ILE A 78 11.866 -5.393 -13.660 1.00 0.00 C ATOM 1224 C ILE A 78 13.207 -6.077 -13.852 1.00 0.00 C ATOM 1225 O ILE A 78 13.652 -6.830 -12.993 1.00 0.00 O ATOM 1226 CB ILE A 78 12.109 -3.981 -13.073 1.00 0.00 C ATOM 1227 CG1 ILE A 78 10.831 -3.419 -12.443 1.00 0.00 C ATOM 1228 CG2 ILE A 78 12.625 -3.032 -14.143 1.00 0.00 C ATOM 1229 CD1 ILE A 78 9.616 -3.523 -13.327 1.00 0.00 C ATOM 0 H ILE A 78 11.178 -6.057 -11.800 1.00 0.00 H new ATOM 0 HA ILE A 78 11.341 -5.276 -14.608 1.00 0.00 H new ATOM 0 HB ILE A 78 12.866 -4.073 -12.294 1.00 0.00 H new ATOM 0 HG12 ILE A 78 10.635 -3.947 -11.510 1.00 0.00 H new ATOM 0 HG13 ILE A 78 10.994 -2.372 -12.188 1.00 0.00 H new ATOM 0 HG21 ILE A 78 12.788 -2.046 -13.707 1.00 0.00 H new ATOM 0 HG22 ILE A 78 13.565 -3.412 -14.544 1.00 0.00 H new ATOM 0 HG23 ILE A 78 11.892 -2.957 -14.946 1.00 0.00 H new ATOM 0 HD11 ILE A 78 8.753 -3.104 -12.810 1.00 0.00 H new ATOM 0 HD12 ILE A 78 9.789 -2.970 -14.250 1.00 0.00 H new ATOM 0 HD13 ILE A 78 9.425 -4.570 -13.562 1.00 0.00 H new ATOM 1241 N HIS A 79 13.829 -5.839 -14.984 1.00 0.00 N ATOM 1242 CA HIS A 79 15.127 -6.416 -15.281 1.00 0.00 C ATOM 1243 C HIS A 79 16.130 -5.298 -15.412 1.00 0.00 C ATOM 1244 O HIS A 79 15.972 -4.412 -16.253 1.00 0.00 O ATOM 1245 CB HIS A 79 15.097 -7.226 -16.584 1.00 0.00 C ATOM 1246 CG HIS A 79 14.094 -8.339 -16.591 1.00 0.00 C ATOM 1247 ND1 HIS A 79 14.404 -9.637 -16.922 1.00 0.00 N ATOM 1248 CD2 HIS A 79 12.769 -8.327 -16.328 1.00 0.00 C ATOM 1249 CE1 HIS A 79 13.311 -10.376 -16.865 1.00 0.00 C ATOM 1250 NE2 HIS A 79 12.302 -9.605 -16.506 1.00 0.00 N ATOM 0 H HIS A 79 13.455 -5.244 -15.723 1.00 0.00 H new ATOM 0 HA HIS A 79 15.402 -7.092 -14.472 1.00 0.00 H new ATOM 0 HB2 HIS A 79 14.881 -6.552 -17.413 1.00 0.00 H new ATOM 0 HB3 HIS A 79 16.088 -7.644 -16.762 1.00 0.00 H new ATOM 0 HD2 HIS A 79 12.184 -7.469 -16.032 1.00 0.00 H new ATOM 0 HE1 HIS A 79 13.253 -11.433 -17.077 1.00 0.00 H new ATOM 0 HE2 HIS A 79 11.336 -9.908 -16.382 1.00 0.00 H new ATOM 1259 N LEU A 80 17.132 -5.316 -14.567 1.00 0.00 N ATOM 1260 CA LEU A 80 18.183 -4.325 -14.644 1.00 0.00 C ATOM 1261 C LEU A 80 19.231 -4.771 -15.648 1.00 0.00 C ATOM 1262 O LEU A 80 19.654 -5.927 -15.646 1.00 0.00 O ATOM 1263 CB LEU A 80 18.838 -4.095 -13.281 1.00 0.00 C ATOM 1264 CG LEU A 80 20.117 -3.248 -13.317 1.00 0.00 C ATOM 1265 CD1 LEU A 80 19.831 -1.864 -13.868 1.00 0.00 C ATOM 1266 CD2 LEU A 80 20.743 -3.147 -11.940 1.00 0.00 C ATOM 0 H LEU A 80 17.244 -6.002 -13.820 1.00 0.00 H new ATOM 0 HA LEU A 80 17.738 -3.384 -14.966 1.00 0.00 H new ATOM 0 HB2 LEU A 80 18.116 -3.610 -12.624 1.00 0.00 H new ATOM 0 HB3 LEU A 80 19.072 -5.063 -12.838 1.00 0.00 H new ATOM 0 HG LEU A 80 20.826 -3.745 -13.979 1.00 0.00 H new ATOM 0 HD11 LEU A 80 20.752 -1.281 -13.884 1.00 0.00 H new ATOM 0 HD12 LEU A 80 19.438 -1.950 -14.881 1.00 0.00 H new ATOM 0 HD13 LEU A 80 19.097 -1.365 -13.235 1.00 0.00 H new ATOM 0 HD21 LEU A 80 21.648 -2.541 -11.995 1.00 0.00 H new ATOM 0 HD22 LEU A 80 20.036 -2.682 -11.252 1.00 0.00 H new ATOM 0 HD23 LEU A 80 20.996 -4.145 -11.581 1.00 0.00 H new ATOM 1278 N ALA A 81 19.643 -3.863 -16.504 1.00 0.00 N ATOM 1279 CA ALA A 81 20.644 -4.170 -17.497 1.00 0.00 C ATOM 1280 C ALA A 81 21.539 -2.968 -17.740 1.00 0.00 C ATOM 1281 O ALA A 81 21.116 -1.823 -17.594 1.00 0.00 O ATOM 1282 CB ALA A 81 19.974 -4.614 -18.786 1.00 0.00 C ATOM 0 H ALA A 81 19.298 -2.903 -16.531 1.00 0.00 H new ATOM 0 HA ALA A 81 21.268 -4.985 -17.130 1.00 0.00 H new ATOM 0 HB1 ALA A 81 20.735 -4.844 -19.531 1.00 0.00 H new ATOM 0 HB2 ALA A 81 19.372 -5.503 -18.596 1.00 0.00 H new ATOM 0 HB3 ALA A 81 19.333 -3.814 -19.157 1.00 0.00 H new ATOM 1288 N LEU A 82 22.786 -3.230 -18.083 1.00 0.00 N ATOM 1289 CA LEU A 82 23.705 -2.168 -18.426 1.00 0.00 C ATOM 1290 C LEU A 82 23.523 -1.812 -19.894 1.00 0.00 C ATOM 1291 O LEU A 82 23.081 -2.651 -20.680 1.00 0.00 O ATOM 1292 CB LEU A 82 25.145 -2.603 -18.146 1.00 0.00 C ATOM 1293 CG LEU A 82 26.200 -1.507 -18.309 1.00 0.00 C ATOM 1294 CD1 LEU A 82 25.911 -0.347 -17.370 1.00 0.00 C ATOM 1295 CD2 LEU A 82 27.585 -2.065 -18.044 1.00 0.00 C ATOM 0 H LEU A 82 23.183 -4.168 -18.131 1.00 0.00 H new ATOM 0 HA LEU A 82 23.497 -1.289 -17.816 1.00 0.00 H new ATOM 0 HB2 LEU A 82 25.200 -2.989 -17.128 1.00 0.00 H new ATOM 0 HB3 LEU A 82 25.395 -3.428 -18.814 1.00 0.00 H new ATOM 0 HG LEU A 82 26.162 -1.140 -19.335 1.00 0.00 H new ATOM 0 HD11 LEU A 82 26.671 0.424 -17.499 1.00 0.00 H new ATOM 0 HD12 LEU A 82 24.930 0.069 -17.597 1.00 0.00 H new ATOM 0 HD13 LEU A 82 25.925 -0.701 -16.339 1.00 0.00 H new ATOM 0 HD21 LEU A 82 28.325 -1.274 -18.164 1.00 0.00 H new ATOM 0 HD22 LEU A 82 27.632 -2.455 -17.027 1.00 0.00 H new ATOM 0 HD23 LEU A 82 27.795 -2.868 -18.750 1.00 0.00 H new