USER MOD reduce.3.24.130724 H: found=0, std=0, add=703, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 703 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 65 ASN : amide:sc= -1.1! K(o=-1.5!,f=0.99) USER MOD Set 1.2: A 70 TYR OH : rot 60:sc= -0.436 USER MOD Set 2.1: A 20 ASN : amide:sc= -0.325 X(o=-3.1,f=-2.8) USER MOD Set 2.2: A 22 GLN : amide:sc= -2.79! C(o=-3.1!,f=-6.5!) USER MOD Single : A 3 SER OG : rot 180:sc= 0.0664 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 GLN : amide:sc= -1.81 K(o=-1.8,f=-0.11) USER MOD Single : A 10 ASN : amide:sc= -3.25! C(o=-3.3!,f=-2.5!) USER MOD Single : A 11 MET CE :methyl -134:sc= -0.972 (180deg=-3.58!) USER MOD Single : A 12 GLN : amide:sc= -3.77! C(o=-3.8!,f=-0.5!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= 2.4 USER MOD Single : A 18 LYS NZ :NH3+ 142:sc= -2.18 (180deg=-4.74!) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= -1.32 USER MOD Single : A 33 GLN : amide:sc= -1.89! K(o=-1.9!,f=-0.68) USER MOD Single : A 35 SER OG : rot 180:sc= 0.0869 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 129:sc= 0.0495 (180deg=-0.378) USER MOD Single : A 42 HIS : no HE2:sc= -2.12 K(o=-2.1,f=-4.8!) USER MOD Single : A 45 THR OG1 : rot -63:sc= -0.641 USER MOD Single : A 47 MET CE :methyl 147:sc= -0.931 (180deg=-2.81!) USER MOD Single : A 51 LYS NZ :NH3+ -164:sc= 0.636 (180deg=-0.0845!) USER MOD Single : A 52 GLN : amide:sc= -1.77 K(o=-1.8,f=-5.3!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -1.49 X(o=-1.5,f=-1.5) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot -27:sc= 0.29 USER MOD Single : A 66 SER OG : rot 180:sc= -0.31 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -1.66! K(o=-1.7!,f=-0.023) USER MOD Single : A 72 MET CE :methyl -178:sc= -0.946 (180deg=-0.962) USER MOD Single : A 74 ASN : amide:sc= -0.582 K(o=-0.58,f=-3.9!) USER MOD Single : A 79 HIS : no HD1:sc= -0.101 K(o=-0.1,f=-3.7!) USER MOD Single : A 83 LYS NZ :NH3+ 167:sc= 1.25 (180deg=0.818) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 0.912 -0.942 -0.847 1.00 0.00 N ATOM 2 CA PRO A 1 1.883 -0.829 -1.953 1.00 0.00 C ATOM 3 C PRO A 1 1.925 -2.125 -2.747 1.00 0.00 C ATOM 4 O PRO A 1 1.212 -3.072 -2.424 1.00 0.00 O ATOM 5 CB PRO A 1 3.254 -0.510 -1.378 1.00 0.00 C ATOM 6 CG PRO A 1 3.047 -0.582 0.093 1.00 0.00 C ATOM 7 CD PRO A 1 1.573 -0.344 0.325 1.00 0.00 C ATOM 0 H2 PRO A 1 0.667 -1.917 -0.672 1.00 0.00 H new ATOM 0 H3 PRO A 1 0.045 -0.452 -1.069 1.00 0.00 H new ATOM 0 HA PRO A 1 1.581 -0.028 -2.627 1.00 0.00 H new ATOM 0 HB2 PRO A 1 4.004 -1.226 -1.712 1.00 0.00 H new ATOM 0 HB3 PRO A 1 3.597 0.478 -1.686 1.00 0.00 H new ATOM 0 HG2 PRO A 1 3.350 -1.554 0.481 1.00 0.00 H new ATOM 0 HG3 PRO A 1 3.648 0.168 0.608 1.00 0.00 H new ATOM 0 HD2 PRO A 1 1.237 -0.811 1.251 1.00 0.00 H new ATOM 0 HD3 PRO A 1 1.351 0.720 0.406 1.00 0.00 H new ATOM 17 N VAL A 2 2.762 -2.171 -3.766 1.00 0.00 N ATOM 18 CA VAL A 2 2.835 -3.338 -4.636 1.00 0.00 C ATOM 19 C VAL A 2 4.217 -3.962 -4.570 1.00 0.00 C ATOM 20 O VAL A 2 5.199 -3.287 -4.240 1.00 0.00 O ATOM 21 CB VAL A 2 2.497 -2.999 -6.108 1.00 0.00 C ATOM 22 CG1 VAL A 2 1.155 -2.297 -6.205 1.00 0.00 C ATOM 23 CG2 VAL A 2 3.583 -2.151 -6.747 1.00 0.00 C ATOM 0 H VAL A 2 3.402 -1.417 -4.015 1.00 0.00 H new ATOM 0 HA VAL A 2 2.089 -4.046 -4.275 1.00 0.00 H new ATOM 0 HB VAL A 2 2.439 -3.940 -6.655 1.00 0.00 H new ATOM 0 HG11 VAL A 2 0.938 -2.069 -7.249 1.00 0.00 H new ATOM 0 HG12 VAL A 2 0.375 -2.946 -5.806 1.00 0.00 H new ATOM 0 HG13 VAL A 2 1.186 -1.372 -5.630 1.00 0.00 H new ATOM 0 HG21 VAL A 2 3.313 -1.932 -7.780 1.00 0.00 H new ATOM 0 HG22 VAL A 2 3.689 -1.218 -6.194 1.00 0.00 H new ATOM 0 HG23 VAL A 2 4.528 -2.694 -6.726 1.00 0.00 H new ATOM 33 N SER A 3 4.293 -5.242 -4.875 1.00 0.00 N ATOM 34 CA SER A 3 5.548 -5.950 -4.816 1.00 0.00 C ATOM 35 C SER A 3 6.286 -5.825 -6.142 1.00 0.00 C ATOM 36 O SER A 3 5.801 -6.266 -7.185 1.00 0.00 O ATOM 37 CB SER A 3 5.297 -7.413 -4.453 1.00 0.00 C ATOM 38 OG SER A 3 4.108 -7.887 -5.067 1.00 0.00 O ATOM 0 H SER A 3 3.497 -5.810 -5.166 1.00 0.00 H new ATOM 0 HA SER A 3 6.178 -5.510 -4.043 1.00 0.00 H new ATOM 0 HB2 SER A 3 6.144 -8.022 -4.771 1.00 0.00 H new ATOM 0 HB3 SER A 3 5.219 -7.516 -3.371 1.00 0.00 H new ATOM 0 HG SER A 3 3.966 -8.826 -4.824 1.00 0.00 H new ATOM 44 N ILE A 4 7.446 -5.200 -6.098 1.00 0.00 N ATOM 45 CA ILE A 4 8.236 -4.977 -7.295 1.00 0.00 C ATOM 46 C ILE A 4 9.629 -5.552 -7.141 1.00 0.00 C ATOM 47 O ILE A 4 10.224 -5.504 -6.065 1.00 0.00 O ATOM 48 CB ILE A 4 8.338 -3.484 -7.644 1.00 0.00 C ATOM 49 CG1 ILE A 4 8.479 -2.645 -6.382 1.00 0.00 C ATOM 50 CG2 ILE A 4 7.131 -3.044 -8.452 1.00 0.00 C ATOM 51 CD1 ILE A 4 8.656 -1.170 -6.660 1.00 0.00 C ATOM 0 H ILE A 4 7.865 -4.836 -5.242 1.00 0.00 H new ATOM 0 HA ILE A 4 7.722 -5.487 -8.109 1.00 0.00 H new ATOM 0 HB ILE A 4 9.230 -3.333 -8.252 1.00 0.00 H new ATOM 0 HG12 ILE A 4 7.595 -2.787 -5.760 1.00 0.00 H new ATOM 0 HG13 ILE A 4 9.334 -3.005 -5.809 1.00 0.00 H new ATOM 0 HG21 ILE A 4 7.220 -1.984 -8.691 1.00 0.00 H new ATOM 0 HG22 ILE A 4 7.081 -3.621 -9.376 1.00 0.00 H new ATOM 0 HG23 ILE A 4 6.224 -3.211 -7.871 1.00 0.00 H new ATOM 0 HD11 ILE A 4 8.750 -0.631 -5.717 1.00 0.00 H new ATOM 0 HD12 ILE A 4 9.555 -1.018 -7.257 1.00 0.00 H new ATOM 0 HD13 ILE A 4 7.790 -0.796 -7.207 1.00 0.00 H new ATOM 63 N LYS A 5 10.142 -6.101 -8.219 1.00 0.00 N ATOM 64 CA LYS A 5 11.430 -6.758 -8.179 1.00 0.00 C ATOM 65 C LYS A 5 12.365 -6.155 -9.200 1.00 0.00 C ATOM 66 O LYS A 5 11.939 -5.722 -10.265 1.00 0.00 O ATOM 67 CB LYS A 5 11.263 -8.249 -8.450 1.00 0.00 C ATOM 68 CG LYS A 5 10.114 -8.860 -7.672 1.00 0.00 C ATOM 69 CD LYS A 5 9.805 -10.267 -8.133 1.00 0.00 C ATOM 70 CE LYS A 5 8.307 -10.496 -8.173 1.00 0.00 C ATOM 71 NZ LYS A 5 7.965 -11.922 -8.425 1.00 0.00 N ATOM 0 H LYS A 5 9.689 -6.106 -9.133 1.00 0.00 H new ATOM 0 HA LYS A 5 11.859 -6.618 -7.187 1.00 0.00 H new ATOM 0 HB2 LYS A 5 11.098 -8.404 -9.516 1.00 0.00 H new ATOM 0 HB3 LYS A 5 12.187 -8.767 -8.192 1.00 0.00 H new ATOM 0 HG2 LYS A 5 10.360 -8.872 -6.610 1.00 0.00 H new ATOM 0 HG3 LYS A 5 9.227 -8.237 -7.786 1.00 0.00 H new ATOM 0 HD2 LYS A 5 10.231 -10.433 -9.123 1.00 0.00 H new ATOM 0 HD3 LYS A 5 10.271 -10.987 -7.460 1.00 0.00 H new ATOM 0 HE2 LYS A 5 7.867 -10.180 -7.227 1.00 0.00 H new ATOM 0 HE3 LYS A 5 7.866 -9.875 -8.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 6.931 -12.033 -8.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 8.362 -12.218 -9.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 8.363 -12.513 -7.667 1.00 0.00 H new ATOM 85 N VAL A 6 13.632 -6.130 -8.862 1.00 0.00 N ATOM 86 CA VAL A 6 14.657 -5.659 -9.770 1.00 0.00 C ATOM 87 C VAL A 6 15.667 -6.773 -9.995 1.00 0.00 C ATOM 88 O VAL A 6 16.466 -7.090 -9.110 1.00 0.00 O ATOM 89 CB VAL A 6 15.381 -4.399 -9.240 1.00 0.00 C ATOM 90 CG1 VAL A 6 16.378 -3.886 -10.266 1.00 0.00 C ATOM 91 CG2 VAL A 6 14.381 -3.310 -8.875 1.00 0.00 C ATOM 0 H VAL A 6 13.983 -6.434 -7.954 1.00 0.00 H new ATOM 0 HA VAL A 6 14.173 -5.382 -10.707 1.00 0.00 H new ATOM 0 HB VAL A 6 15.925 -4.675 -8.337 1.00 0.00 H new ATOM 0 HG11 VAL A 6 16.878 -2.999 -9.876 1.00 0.00 H new ATOM 0 HG12 VAL A 6 17.118 -4.659 -10.472 1.00 0.00 H new ATOM 0 HG13 VAL A 6 15.854 -3.631 -11.187 1.00 0.00 H new ATOM 0 HG21 VAL A 6 14.915 -2.435 -8.505 1.00 0.00 H new ATOM 0 HG22 VAL A 6 13.803 -3.036 -9.758 1.00 0.00 H new ATOM 0 HG23 VAL A 6 13.708 -3.679 -8.101 1.00 0.00 H new ATOM 101 N GLN A 7 15.600 -7.390 -11.164 1.00 0.00 N ATOM 102 CA GLN A 7 16.493 -8.476 -11.503 1.00 0.00 C ATOM 103 C GLN A 7 17.885 -7.927 -11.759 1.00 0.00 C ATOM 104 O GLN A 7 18.141 -7.316 -12.791 1.00 0.00 O ATOM 105 CB GLN A 7 15.981 -9.239 -12.730 1.00 0.00 C ATOM 106 CG GLN A 7 16.217 -10.736 -12.657 1.00 0.00 C ATOM 107 CD GLN A 7 17.682 -11.096 -12.720 1.00 0.00 C ATOM 108 OE1 GLN A 7 18.213 -11.426 -13.777 1.00 0.00 O ATOM 109 NE2 GLN A 7 18.352 -10.962 -11.595 1.00 0.00 N ATOM 0 H GLN A 7 14.930 -7.152 -11.895 1.00 0.00 H new ATOM 0 HA GLN A 7 16.532 -9.175 -10.668 1.00 0.00 H new ATOM 0 HB2 GLN A 7 14.913 -9.053 -12.843 1.00 0.00 H new ATOM 0 HB3 GLN A 7 16.469 -8.846 -13.622 1.00 0.00 H new ATOM 0 HG2 GLN A 7 15.791 -11.123 -11.731 1.00 0.00 H new ATOM 0 HG3 GLN A 7 15.691 -11.224 -13.478 1.00 0.00 H new ATOM 0 HE21 GLN A 7 17.866 -10.686 -10.742 1.00 0.00 H new ATOM 0 HE22 GLN A 7 19.357 -11.135 -11.576 1.00 0.00 H new ATOM 118 N VAL A 8 18.761 -8.126 -10.795 1.00 0.00 N ATOM 119 CA VAL A 8 20.129 -7.673 -10.901 1.00 0.00 C ATOM 120 C VAL A 8 20.920 -8.589 -11.831 1.00 0.00 C ATOM 121 O VAL A 8 20.940 -9.804 -11.639 1.00 0.00 O ATOM 122 CB VAL A 8 20.791 -7.630 -9.508 1.00 0.00 C ATOM 123 CG1 VAL A 8 22.285 -7.409 -9.616 1.00 0.00 C ATOM 124 CG2 VAL A 8 20.149 -6.551 -8.652 1.00 0.00 C ATOM 0 H VAL A 8 18.544 -8.604 -9.921 1.00 0.00 H new ATOM 0 HA VAL A 8 20.128 -6.666 -11.318 1.00 0.00 H new ATOM 0 HB VAL A 8 20.633 -8.596 -9.029 1.00 0.00 H new ATOM 0 HG11 VAL A 8 22.722 -7.384 -8.618 1.00 0.00 H new ATOM 0 HG12 VAL A 8 22.733 -8.222 -10.188 1.00 0.00 H new ATOM 0 HG13 VAL A 8 22.477 -6.462 -10.120 1.00 0.00 H new ATOM 0 HG21 VAL A 8 20.626 -6.532 -7.672 1.00 0.00 H new ATOM 0 HG22 VAL A 8 20.273 -5.582 -9.135 1.00 0.00 H new ATOM 0 HG23 VAL A 8 19.087 -6.764 -8.534 1.00 0.00 H new ATOM 134 N PRO A 9 21.585 -8.021 -12.848 1.00 0.00 N ATOM 135 CA PRO A 9 22.330 -8.808 -13.832 1.00 0.00 C ATOM 136 C PRO A 9 23.526 -9.526 -13.208 1.00 0.00 C ATOM 137 O PRO A 9 24.134 -9.038 -12.247 1.00 0.00 O ATOM 138 CB PRO A 9 22.792 -7.763 -14.856 1.00 0.00 C ATOM 139 CG PRO A 9 22.794 -6.474 -14.111 1.00 0.00 C ATOM 140 CD PRO A 9 21.675 -6.573 -13.115 1.00 0.00 C ATOM 0 HA PRO A 9 21.722 -9.600 -14.269 1.00 0.00 H new ATOM 0 HB2 PRO A 9 23.784 -7.999 -15.241 1.00 0.00 H new ATOM 0 HB3 PRO A 9 22.119 -7.724 -15.712 1.00 0.00 H new ATOM 0 HG2 PRO A 9 23.749 -6.313 -13.611 1.00 0.00 H new ATOM 0 HG3 PRO A 9 22.642 -5.632 -14.787 1.00 0.00 H new ATOM 0 HD2 PRO A 9 21.893 -6.010 -12.208 1.00 0.00 H new ATOM 0 HD3 PRO A 9 20.742 -6.180 -13.518 1.00 0.00 H new ATOM 148 N ASN A 10 23.844 -10.697 -13.740 1.00 0.00 N ATOM 149 CA ASN A 10 24.981 -11.473 -13.266 1.00 0.00 C ATOM 150 C ASN A 10 26.287 -10.828 -13.705 1.00 0.00 C ATOM 151 O ASN A 10 26.788 -11.108 -14.792 1.00 0.00 O ATOM 152 CB ASN A 10 24.928 -12.914 -13.798 1.00 0.00 C ATOM 153 CG ASN A 10 23.801 -13.735 -13.204 1.00 0.00 C ATOM 154 OD1 ASN A 10 22.678 -13.718 -13.707 1.00 0.00 O ATOM 155 ND2 ASN A 10 24.095 -14.479 -12.147 1.00 0.00 N ATOM 0 H ASN A 10 23.328 -11.133 -14.504 1.00 0.00 H new ATOM 0 HA ASN A 10 24.932 -11.495 -12.177 1.00 0.00 H new ATOM 0 HB2 ASN A 10 24.817 -12.889 -14.882 1.00 0.00 H new ATOM 0 HB3 ASN A 10 25.877 -13.407 -13.586 1.00 0.00 H new ATOM 0 HD21 ASN A 10 23.378 -15.066 -11.721 1.00 0.00 H new ATOM 0 HD22 ASN A 10 25.039 -14.465 -11.760 1.00 0.00 H new ATOM 162 N MET A 11 26.831 -9.948 -12.877 1.00 0.00 N ATOM 163 CA MET A 11 28.118 -9.337 -13.176 1.00 0.00 C ATOM 164 C MET A 11 28.941 -9.192 -11.909 1.00 0.00 C ATOM 165 O MET A 11 29.082 -8.097 -11.371 1.00 0.00 O ATOM 166 CB MET A 11 27.930 -7.971 -13.858 1.00 0.00 C ATOM 167 CG MET A 11 27.605 -8.076 -15.343 1.00 0.00 C ATOM 168 SD MET A 11 27.991 -6.577 -16.274 1.00 0.00 S ATOM 169 CE MET A 11 26.929 -5.381 -15.482 1.00 0.00 C ATOM 0 H MET A 11 26.406 -9.643 -12.001 1.00 0.00 H new ATOM 0 HA MET A 11 28.654 -9.989 -13.866 1.00 0.00 H new ATOM 0 HB2 MET A 11 27.128 -7.430 -13.356 1.00 0.00 H new ATOM 0 HB3 MET A 11 28.839 -7.383 -13.733 1.00 0.00 H new ATOM 0 HG2 MET A 11 28.159 -8.912 -15.770 1.00 0.00 H new ATOM 0 HG3 MET A 11 26.545 -8.304 -15.460 1.00 0.00 H new ATOM 0 HE1 MET A 11 26.417 -4.790 -16.241 1.00 0.00 H new ATOM 0 HE2 MET A 11 26.193 -5.899 -14.867 1.00 0.00 H new ATOM 0 HE3 MET A 11 27.528 -4.722 -14.853 1.00 0.00 H new ATOM 179 N GLN A 12 29.510 -10.305 -11.453 1.00 0.00 N ATOM 180 CA GLN A 12 30.198 -10.338 -10.167 1.00 0.00 C ATOM 181 C GLN A 12 31.583 -9.732 -10.298 1.00 0.00 C ATOM 182 O GLN A 12 32.010 -8.918 -9.480 1.00 0.00 O ATOM 183 CB GLN A 12 30.343 -11.781 -9.655 1.00 0.00 C ATOM 184 CG GLN A 12 29.128 -12.676 -9.873 1.00 0.00 C ATOM 185 CD GLN A 12 29.112 -13.329 -11.244 1.00 0.00 C ATOM 186 OE1 GLN A 12 29.707 -14.383 -11.451 1.00 0.00 O ATOM 187 NE2 GLN A 12 28.390 -12.732 -12.178 1.00 0.00 N ATOM 0 H GLN A 12 29.508 -11.193 -11.954 1.00 0.00 H new ATOM 0 HA GLN A 12 29.601 -9.763 -9.459 1.00 0.00 H new ATOM 0 HB2 GLN A 12 31.203 -12.238 -10.145 1.00 0.00 H new ATOM 0 HB3 GLN A 12 30.564 -11.750 -8.588 1.00 0.00 H new ATOM 0 HG2 GLN A 12 29.112 -13.451 -9.107 1.00 0.00 H new ATOM 0 HG3 GLN A 12 28.221 -12.085 -9.747 1.00 0.00 H new ATOM 0 HE21 GLN A 12 27.909 -11.857 -11.969 1.00 0.00 H new ATOM 0 HE22 GLN A 12 28.314 -13.147 -13.107 1.00 0.00 H new ATOM 196 N ASP A 13 32.268 -10.138 -11.352 1.00 0.00 N ATOM 197 CA ASP A 13 33.615 -9.669 -11.626 1.00 0.00 C ATOM 198 C ASP A 13 33.638 -8.982 -12.982 1.00 0.00 C ATOM 199 O ASP A 13 34.685 -8.612 -13.501 1.00 0.00 O ATOM 200 CB ASP A 13 34.582 -10.858 -11.590 1.00 0.00 C ATOM 201 CG ASP A 13 36.046 -10.458 -11.616 1.00 0.00 C ATOM 202 OD1 ASP A 13 36.512 -9.835 -10.642 1.00 0.00 O ATOM 203 OD2 ASP A 13 36.747 -10.810 -12.590 1.00 0.00 O ATOM 0 H ASP A 13 31.908 -10.800 -12.040 1.00 0.00 H new ATOM 0 HA ASP A 13 33.928 -8.949 -10.870 1.00 0.00 H new ATOM 0 HB2 ASP A 13 34.391 -11.443 -10.690 1.00 0.00 H new ATOM 0 HB3 ASP A 13 34.377 -11.507 -12.441 1.00 0.00 H new ATOM 208 N LYS A 14 32.449 -8.803 -13.549 1.00 0.00 N ATOM 209 CA LYS A 14 32.316 -8.236 -14.888 1.00 0.00 C ATOM 210 C LYS A 14 32.080 -6.743 -14.792 1.00 0.00 C ATOM 211 O LYS A 14 31.849 -6.073 -15.797 1.00 0.00 O ATOM 212 CB LYS A 14 31.147 -8.876 -15.648 1.00 0.00 C ATOM 213 CG LYS A 14 30.964 -10.354 -15.368 1.00 0.00 C ATOM 214 CD LYS A 14 32.237 -11.134 -15.636 1.00 0.00 C ATOM 215 CE LYS A 14 32.128 -12.556 -15.122 1.00 0.00 C ATOM 216 NZ LYS A 14 31.180 -13.375 -15.923 1.00 0.00 N ATOM 0 H LYS A 14 31.564 -9.042 -13.103 1.00 0.00 H new ATOM 0 HA LYS A 14 33.240 -8.437 -15.430 1.00 0.00 H new ATOM 0 HB2 LYS A 14 30.228 -8.351 -15.388 1.00 0.00 H new ATOM 0 HB3 LYS A 14 31.303 -8.736 -16.718 1.00 0.00 H new ATOM 0 HG2 LYS A 14 30.663 -10.494 -14.330 1.00 0.00 H new ATOM 0 HG3 LYS A 14 30.159 -10.746 -15.989 1.00 0.00 H new ATOM 0 HD2 LYS A 14 32.440 -11.146 -16.707 1.00 0.00 H new ATOM 0 HD3 LYS A 14 33.080 -10.635 -15.157 1.00 0.00 H new ATOM 0 HE2 LYS A 14 33.113 -13.023 -15.140 1.00 0.00 H new ATOM 0 HE3 LYS A 14 31.802 -12.540 -14.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 31.139 -14.339 -15.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 30.233 -12.946 -15.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 31.504 -13.414 -16.911 1.00 0.00 H new ATOM 230 N THR A 15 32.111 -6.234 -13.575 1.00 0.00 N ATOM 231 CA THR A 15 31.875 -4.824 -13.350 1.00 0.00 C ATOM 232 C THR A 15 32.242 -4.416 -11.921 1.00 0.00 C ATOM 233 O THR A 15 32.757 -5.222 -11.142 1.00 0.00 O ATOM 234 CB THR A 15 30.406 -4.457 -13.651 1.00 0.00 C ATOM 235 OG1 THR A 15 30.250 -3.036 -13.677 1.00 0.00 O ATOM 236 CG2 THR A 15 29.461 -5.066 -12.623 1.00 0.00 C ATOM 0 H THR A 15 32.297 -6.775 -12.731 1.00 0.00 H new ATOM 0 HA THR A 15 32.519 -4.272 -14.035 1.00 0.00 H new ATOM 0 HB THR A 15 30.151 -4.866 -14.629 1.00 0.00 H new ATOM 0 HG1 THR A 15 29.316 -2.813 -13.874 1.00 0.00 H new ATOM 0 HG21 THR A 15 28.435 -4.789 -12.863 1.00 0.00 H new ATOM 0 HG22 THR A 15 29.557 -6.152 -12.639 1.00 0.00 H new ATOM 0 HG23 THR A 15 29.714 -4.694 -11.630 1.00 0.00 H new ATOM 244 N GLU A 16 31.948 -3.164 -11.596 1.00 0.00 N ATOM 245 CA GLU A 16 32.380 -2.537 -10.352 1.00 0.00 C ATOM 246 C GLU A 16 31.217 -2.388 -9.373 1.00 0.00 C ATOM 247 O GLU A 16 31.366 -1.810 -8.294 1.00 0.00 O ATOM 248 CB GLU A 16 32.969 -1.163 -10.682 1.00 0.00 C ATOM 249 CG GLU A 16 31.993 -0.269 -11.432 1.00 0.00 C ATOM 250 CD GLU A 16 32.679 0.792 -12.262 1.00 0.00 C ATOM 251 OE1 GLU A 16 33.294 0.437 -13.289 1.00 0.00 O ATOM 252 OE2 GLU A 16 32.604 1.984 -11.900 1.00 0.00 O ATOM 0 H GLU A 16 31.397 -2.548 -12.194 1.00 0.00 H new ATOM 0 HA GLU A 16 33.131 -3.167 -9.875 1.00 0.00 H new ATOM 0 HB2 GLU A 16 33.270 -0.670 -9.758 1.00 0.00 H new ATOM 0 HB3 GLU A 16 33.870 -1.293 -11.282 1.00 0.00 H new ATOM 0 HG2 GLU A 16 31.371 -0.885 -12.082 1.00 0.00 H new ATOM 0 HG3 GLU A 16 31.327 0.212 -10.716 1.00 0.00 H new ATOM 259 N TRP A 17 30.060 -2.902 -9.761 1.00 0.00 N ATOM 260 CA TRP A 17 28.850 -2.773 -8.953 1.00 0.00 C ATOM 261 C TRP A 17 28.551 -4.067 -8.207 1.00 0.00 C ATOM 262 O TRP A 17 29.154 -5.106 -8.478 1.00 0.00 O ATOM 263 CB TRP A 17 27.670 -2.397 -9.841 1.00 0.00 C ATOM 264 CG TRP A 17 27.989 -1.261 -10.749 1.00 0.00 C ATOM 265 CD1 TRP A 17 28.472 -0.039 -10.387 1.00 0.00 C ATOM 266 CD2 TRP A 17 27.856 -1.242 -12.168 1.00 0.00 C ATOM 267 NE1 TRP A 17 28.669 0.733 -11.502 1.00 0.00 N ATOM 268 CE2 TRP A 17 28.293 0.016 -12.609 1.00 0.00 C ATOM 269 CE3 TRP A 17 27.416 -2.172 -13.111 1.00 0.00 C ATOM 270 CZ2 TRP A 17 28.301 0.363 -13.953 1.00 0.00 C ATOM 271 CZ3 TRP A 17 27.420 -1.822 -14.445 1.00 0.00 C ATOM 272 CH2 TRP A 17 27.864 -0.563 -14.855 1.00 0.00 C ATOM 0 H TRP A 17 29.930 -3.415 -10.633 1.00 0.00 H new ATOM 0 HA TRP A 17 29.012 -1.986 -8.217 1.00 0.00 H new ATOM 0 HB2 TRP A 17 27.374 -3.262 -10.434 1.00 0.00 H new ATOM 0 HB3 TRP A 17 26.817 -2.132 -9.216 1.00 0.00 H new ATOM 0 HD1 TRP A 17 28.670 0.274 -9.373 1.00 0.00 H new ATOM 0 HE1 TRP A 17 29.035 1.685 -11.508 1.00 0.00 H new ATOM 0 HE3 TRP A 17 27.078 -3.150 -12.801 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 28.643 1.336 -14.275 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 27.075 -2.531 -15.183 1.00 0.00 H new ATOM 0 HH2 TRP A 17 27.861 -0.317 -15.907 1.00 0.00 H new ATOM 283 N LYS A 18 27.586 -4.000 -7.296 1.00 0.00 N ATOM 284 CA LYS A 18 27.223 -5.137 -6.453 1.00 0.00 C ATOM 285 C LYS A 18 26.343 -6.143 -7.208 1.00 0.00 C ATOM 286 O LYS A 18 25.563 -6.885 -6.608 1.00 0.00 O ATOM 287 CB LYS A 18 26.494 -4.633 -5.198 1.00 0.00 C ATOM 288 CG LYS A 18 25.102 -4.069 -5.466 1.00 0.00 C ATOM 289 CD LYS A 18 24.030 -4.978 -4.888 1.00 0.00 C ATOM 290 CE LYS A 18 22.935 -5.292 -5.898 1.00 0.00 C ATOM 291 NZ LYS A 18 21.994 -4.155 -6.075 1.00 0.00 N ATOM 0 H LYS A 18 27.034 -3.160 -7.120 1.00 0.00 H new ATOM 0 HA LYS A 18 28.139 -5.653 -6.164 1.00 0.00 H new ATOM 0 HB2 LYS A 18 26.410 -5.454 -4.486 1.00 0.00 H new ATOM 0 HB3 LYS A 18 27.101 -3.862 -4.724 1.00 0.00 H new ATOM 0 HG2 LYS A 18 25.017 -3.075 -5.027 1.00 0.00 H new ATOM 0 HG3 LYS A 18 24.950 -3.958 -6.540 1.00 0.00 H new ATOM 0 HD2 LYS A 18 24.488 -5.908 -4.551 1.00 0.00 H new ATOM 0 HD3 LYS A 18 23.588 -4.504 -4.012 1.00 0.00 H new ATOM 0 HE2 LYS A 18 23.388 -5.540 -6.858 1.00 0.00 H new ATOM 0 HE3 LYS A 18 22.382 -6.172 -5.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 21.720 -4.084 -7.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 21.146 -4.313 -5.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 22.457 -3.272 -5.779 1.00 0.00 H new ATOM 305 N LEU A 19 26.479 -6.185 -8.520 1.00 0.00 N ATOM 306 CA LEU A 19 25.656 -7.055 -9.337 1.00 0.00 C ATOM 307 C LEU A 19 26.185 -8.482 -9.259 1.00 0.00 C ATOM 308 O LEU A 19 27.363 -8.717 -9.480 1.00 0.00 O ATOM 309 CB LEU A 19 25.671 -6.575 -10.789 1.00 0.00 C ATOM 310 CG LEU A 19 25.483 -5.068 -10.976 1.00 0.00 C ATOM 311 CD1 LEU A 19 25.382 -4.726 -12.446 1.00 0.00 C ATOM 312 CD2 LEU A 19 24.253 -4.585 -10.241 1.00 0.00 C ATOM 0 H LEU A 19 27.153 -5.626 -9.043 1.00 0.00 H new ATOM 0 HA LEU A 19 24.631 -7.030 -8.966 1.00 0.00 H new ATOM 0 HB2 LEU A 19 26.619 -6.866 -11.242 1.00 0.00 H new ATOM 0 HB3 LEU A 19 24.884 -7.094 -11.335 1.00 0.00 H new ATOM 0 HG LEU A 19 26.354 -4.563 -10.558 1.00 0.00 H new ATOM 0 HD11 LEU A 19 25.249 -3.650 -12.561 1.00 0.00 H new ATOM 0 HD12 LEU A 19 26.295 -5.035 -12.955 1.00 0.00 H new ATOM 0 HD13 LEU A 19 24.529 -5.246 -12.883 1.00 0.00 H new ATOM 0 HD21 LEU A 19 24.140 -3.511 -10.388 1.00 0.00 H new ATOM 0 HD22 LEU A 19 23.373 -5.099 -10.627 1.00 0.00 H new ATOM 0 HD23 LEU A 19 24.359 -4.796 -9.177 1.00 0.00 H new ATOM 324 N ASN A 20 25.330 -9.432 -8.916 1.00 0.00 N ATOM 325 CA ASN A 20 25.766 -10.823 -8.776 1.00 0.00 C ATOM 326 C ASN A 20 24.714 -11.770 -9.316 1.00 0.00 C ATOM 327 O ASN A 20 24.750 -12.967 -9.054 1.00 0.00 O ATOM 328 CB ASN A 20 26.064 -11.153 -7.307 1.00 0.00 C ATOM 329 CG ASN A 20 27.268 -10.404 -6.772 1.00 0.00 C ATOM 330 OD1 ASN A 20 28.377 -10.937 -6.712 1.00 0.00 O ATOM 331 ND2 ASN A 20 27.056 -9.149 -6.417 1.00 0.00 N ATOM 0 H ASN A 20 24.340 -9.274 -8.730 1.00 0.00 H new ATOM 0 HA ASN A 20 26.681 -10.949 -9.355 1.00 0.00 H new ATOM 0 HB2 ASN A 20 25.191 -10.911 -6.700 1.00 0.00 H new ATOM 0 HB3 ASN A 20 26.234 -12.225 -7.207 1.00 0.00 H new ATOM 0 HD21 ASN A 20 27.829 -8.578 -6.076 1.00 0.00 H new ATOM 0 HD22 ASN A 20 26.119 -8.751 -6.484 1.00 0.00 H new ATOM 338 N GLY A 21 23.784 -11.229 -10.085 1.00 0.00 N ATOM 339 CA GLY A 21 22.737 -12.049 -10.652 1.00 0.00 C ATOM 340 C GLY A 21 21.570 -12.261 -9.711 1.00 0.00 C ATOM 341 O GLY A 21 20.620 -12.966 -10.051 1.00 0.00 O ATOM 0 H GLY A 21 23.735 -10.239 -10.326 1.00 0.00 H new ATOM 0 HA2 GLY A 21 22.376 -11.583 -11.569 1.00 0.00 H new ATOM 0 HA3 GLY A 21 23.153 -13.018 -10.929 1.00 0.00 H new ATOM 345 N GLN A 22 21.634 -11.671 -8.523 1.00 0.00 N ATOM 346 CA GLN A 22 20.548 -11.814 -7.569 1.00 0.00 C ATOM 347 C GLN A 22 19.361 -10.948 -7.968 1.00 0.00 C ATOM 348 O GLN A 22 19.432 -10.158 -8.905 1.00 0.00 O ATOM 349 CB GLN A 22 20.987 -11.475 -6.138 1.00 0.00 C ATOM 350 CG GLN A 22 21.370 -10.021 -5.930 1.00 0.00 C ATOM 351 CD GLN A 22 22.867 -9.802 -5.901 1.00 0.00 C ATOM 352 OE1 GLN A 22 23.627 -10.660 -5.462 1.00 0.00 O ATOM 353 NE2 GLN A 22 23.295 -8.652 -6.383 1.00 0.00 N ATOM 0 H GLN A 22 22.415 -11.098 -8.203 1.00 0.00 H new ATOM 0 HA GLN A 22 20.248 -12.862 -7.585 1.00 0.00 H new ATOM 0 HB2 GLN A 22 20.178 -11.727 -5.453 1.00 0.00 H new ATOM 0 HB3 GLN A 22 21.837 -12.104 -5.872 1.00 0.00 H new ATOM 0 HG2 GLN A 22 20.936 -9.419 -6.728 1.00 0.00 H new ATOM 0 HG3 GLN A 22 20.939 -9.668 -4.993 1.00 0.00 H new ATOM 0 HE21 GLN A 22 22.627 -7.968 -6.738 1.00 0.00 H new ATOM 0 HE22 GLN A 22 24.294 -8.447 -6.401 1.00 0.00 H new ATOM 362 N VAL A 23 18.276 -11.101 -7.244 1.00 0.00 N ATOM 363 CA VAL A 23 17.045 -10.389 -7.540 1.00 0.00 C ATOM 364 C VAL A 23 16.609 -9.583 -6.326 1.00 0.00 C ATOM 365 O VAL A 23 16.453 -10.133 -5.234 1.00 0.00 O ATOM 366 CB VAL A 23 15.907 -11.361 -7.938 1.00 0.00 C ATOM 367 CG1 VAL A 23 14.654 -10.595 -8.338 1.00 0.00 C ATOM 368 CG2 VAL A 23 16.348 -12.287 -9.059 1.00 0.00 C ATOM 0 H VAL A 23 18.217 -11.719 -6.435 1.00 0.00 H new ATOM 0 HA VAL A 23 17.242 -9.725 -8.382 1.00 0.00 H new ATOM 0 HB VAL A 23 15.670 -11.972 -7.067 1.00 0.00 H new ATOM 0 HG11 VAL A 23 13.869 -11.300 -8.613 1.00 0.00 H new ATOM 0 HG12 VAL A 23 14.317 -9.986 -7.499 1.00 0.00 H new ATOM 0 HG13 VAL A 23 14.877 -9.950 -9.188 1.00 0.00 H new ATOM 0 HG21 VAL A 23 15.530 -12.959 -9.319 1.00 0.00 H new ATOM 0 HG22 VAL A 23 16.623 -11.696 -9.932 1.00 0.00 H new ATOM 0 HG23 VAL A 23 17.208 -12.872 -8.731 1.00 0.00 H new ATOM 378 N LEU A 24 16.419 -8.288 -6.512 1.00 0.00 N ATOM 379 CA LEU A 24 15.961 -7.437 -5.428 1.00 0.00 C ATOM 380 C LEU A 24 14.449 -7.441 -5.387 1.00 0.00 C ATOM 381 O LEU A 24 13.797 -7.318 -6.419 1.00 0.00 O ATOM 382 CB LEU A 24 16.454 -6.003 -5.609 1.00 0.00 C ATOM 383 CG LEU A 24 17.967 -5.843 -5.762 1.00 0.00 C ATOM 384 CD1 LEU A 24 18.328 -4.385 -5.999 1.00 0.00 C ATOM 385 CD2 LEU A 24 18.681 -6.376 -4.530 1.00 0.00 C ATOM 0 H LEU A 24 16.574 -7.806 -7.397 1.00 0.00 H new ATOM 0 HA LEU A 24 16.364 -7.828 -4.494 1.00 0.00 H new ATOM 0 HB2 LEU A 24 15.970 -5.579 -6.489 1.00 0.00 H new ATOM 0 HB3 LEU A 24 16.128 -5.414 -4.751 1.00 0.00 H new ATOM 0 HG LEU A 24 18.291 -6.421 -6.628 1.00 0.00 H new ATOM 0 HD11 LEU A 24 19.409 -4.290 -6.105 1.00 0.00 H new ATOM 0 HD12 LEU A 24 17.842 -4.033 -6.909 1.00 0.00 H new ATOM 0 HD13 LEU A 24 17.993 -3.785 -5.153 1.00 0.00 H new ATOM 0 HD21 LEU A 24 19.757 -6.256 -4.653 1.00 0.00 H new ATOM 0 HD22 LEU A 24 18.352 -5.822 -3.651 1.00 0.00 H new ATOM 0 HD23 LEU A 24 18.446 -7.433 -4.402 1.00 0.00 H new ATOM 397 N VAL A 25 13.901 -7.589 -4.203 1.00 0.00 N ATOM 398 CA VAL A 25 12.462 -7.593 -4.029 1.00 0.00 C ATOM 399 C VAL A 25 12.065 -6.481 -3.075 1.00 0.00 C ATOM 400 O VAL A 25 12.308 -6.561 -1.872 1.00 0.00 O ATOM 401 CB VAL A 25 11.944 -8.948 -3.495 1.00 0.00 C ATOM 402 CG1 VAL A 25 10.425 -8.938 -3.379 1.00 0.00 C ATOM 403 CG2 VAL A 25 12.407 -10.093 -4.389 1.00 0.00 C ATOM 0 H VAL A 25 14.431 -7.709 -3.340 1.00 0.00 H new ATOM 0 HA VAL A 25 12.008 -7.431 -5.007 1.00 0.00 H new ATOM 0 HB VAL A 25 12.361 -9.102 -2.500 1.00 0.00 H new ATOM 0 HG11 VAL A 25 10.083 -9.901 -3.001 1.00 0.00 H new ATOM 0 HG12 VAL A 25 10.118 -8.149 -2.692 1.00 0.00 H new ATOM 0 HG13 VAL A 25 9.986 -8.756 -4.360 1.00 0.00 H new ATOM 0 HG21 VAL A 25 12.031 -11.037 -3.995 1.00 0.00 H new ATOM 0 HG22 VAL A 25 12.025 -9.944 -5.399 1.00 0.00 H new ATOM 0 HG23 VAL A 25 13.496 -10.118 -4.413 1.00 0.00 H new ATOM 413 N PHE A 26 11.468 -5.444 -3.624 1.00 0.00 N ATOM 414 CA PHE A 26 11.111 -4.271 -2.851 1.00 0.00 C ATOM 415 C PHE A 26 9.613 -4.029 -2.956 1.00 0.00 C ATOM 416 O PHE A 26 8.951 -4.574 -3.835 1.00 0.00 O ATOM 417 CB PHE A 26 11.889 -3.043 -3.345 1.00 0.00 C ATOM 418 CG PHE A 26 13.380 -3.126 -3.124 1.00 0.00 C ATOM 419 CD1 PHE A 26 13.895 -3.806 -2.029 1.00 0.00 C ATOM 420 CD2 PHE A 26 14.270 -2.529 -4.011 1.00 0.00 C ATOM 421 CE1 PHE A 26 15.259 -3.884 -1.817 1.00 0.00 C ATOM 422 CE2 PHE A 26 15.637 -2.604 -3.803 1.00 0.00 C ATOM 423 CZ PHE A 26 16.131 -3.284 -2.706 1.00 0.00 C ATOM 0 H PHE A 26 11.218 -5.389 -4.611 1.00 0.00 H new ATOM 0 HA PHE A 26 11.373 -4.440 -1.807 1.00 0.00 H new ATOM 0 HB2 PHE A 26 11.698 -2.910 -4.410 1.00 0.00 H new ATOM 0 HB3 PHE A 26 11.507 -2.157 -2.839 1.00 0.00 H new ATOM 0 HD1 PHE A 26 13.220 -4.281 -1.332 1.00 0.00 H new ATOM 0 HD2 PHE A 26 13.890 -2.000 -4.873 1.00 0.00 H new ATOM 0 HE1 PHE A 26 15.643 -4.413 -0.957 1.00 0.00 H new ATOM 0 HE2 PHE A 26 16.316 -2.132 -4.497 1.00 0.00 H new ATOM 0 HZ PHE A 26 17.197 -3.347 -2.544 1.00 0.00 H new ATOM 433 N THR A 27 9.066 -3.245 -2.053 1.00 0.00 N ATOM 434 CA THR A 27 7.649 -2.947 -2.093 1.00 0.00 C ATOM 435 C THR A 27 7.422 -1.440 -2.098 1.00 0.00 C ATOM 436 O THR A 27 7.775 -0.742 -1.146 1.00 0.00 O ATOM 437 CB THR A 27 6.920 -3.576 -0.896 1.00 0.00 C ATOM 438 OG1 THR A 27 7.434 -4.895 -0.654 1.00 0.00 O ATOM 439 CG2 THR A 27 5.420 -3.653 -1.139 1.00 0.00 C ATOM 0 H THR A 27 9.575 -2.805 -1.287 1.00 0.00 H new ATOM 0 HA THR A 27 7.244 -3.374 -3.011 1.00 0.00 H new ATOM 0 HB THR A 27 7.093 -2.944 -0.025 1.00 0.00 H new ATOM 0 HG1 THR A 27 6.968 -5.292 0.111 1.00 0.00 H new ATOM 0 HG21 THR A 27 4.934 -4.103 -0.273 1.00 0.00 H new ATOM 0 HG22 THR A 27 5.025 -2.649 -1.296 1.00 0.00 H new ATOM 0 HG23 THR A 27 5.225 -4.262 -2.022 1.00 0.00 H new ATOM 447 N LEU A 28 6.838 -0.953 -3.175 1.00 0.00 N ATOM 448 CA LEU A 28 6.580 0.472 -3.334 1.00 0.00 C ATOM 449 C LEU A 28 5.160 0.692 -3.825 1.00 0.00 C ATOM 450 O LEU A 28 4.580 -0.180 -4.469 1.00 0.00 O ATOM 451 CB LEU A 28 7.576 1.098 -4.317 1.00 0.00 C ATOM 452 CG LEU A 28 9.009 1.242 -3.800 1.00 0.00 C ATOM 453 CD1 LEU A 28 9.932 1.707 -4.912 1.00 0.00 C ATOM 454 CD2 LEU A 28 9.057 2.217 -2.638 1.00 0.00 C ATOM 0 H LEU A 28 6.530 -1.525 -3.961 1.00 0.00 H new ATOM 0 HA LEU A 28 6.703 0.954 -2.364 1.00 0.00 H new ATOM 0 HB2 LEU A 28 7.594 0.493 -5.223 1.00 0.00 H new ATOM 0 HB3 LEU A 28 7.209 2.085 -4.600 1.00 0.00 H new ATOM 0 HG LEU A 28 9.348 0.266 -3.452 1.00 0.00 H new ATOM 0 HD11 LEU A 28 10.947 1.804 -4.526 1.00 0.00 H new ATOM 0 HD12 LEU A 28 9.920 0.979 -5.723 1.00 0.00 H new ATOM 0 HD13 LEU A 28 9.593 2.673 -5.287 1.00 0.00 H new ATOM 0 HD21 LEU A 28 10.083 2.308 -2.282 1.00 0.00 H new ATOM 0 HD22 LEU A 28 8.699 3.193 -2.967 1.00 0.00 H new ATOM 0 HD23 LEU A 28 8.424 1.851 -1.830 1.00 0.00 H new ATOM 466 N PRO A 29 4.559 1.835 -3.485 1.00 0.00 N ATOM 467 CA PRO A 29 3.228 2.184 -3.958 1.00 0.00 C ATOM 468 C PRO A 29 3.211 2.428 -5.460 1.00 0.00 C ATOM 469 O PRO A 29 4.187 2.912 -6.031 1.00 0.00 O ATOM 470 CB PRO A 29 2.891 3.473 -3.206 1.00 0.00 C ATOM 471 CG PRO A 29 4.208 4.041 -2.797 1.00 0.00 C ATOM 472 CD PRO A 29 5.129 2.870 -2.604 1.00 0.00 C ATOM 0 HA PRO A 29 2.511 1.383 -3.779 1.00 0.00 H new ATOM 0 HB2 PRO A 29 2.342 4.168 -3.842 1.00 0.00 H new ATOM 0 HB3 PRO A 29 2.263 3.270 -2.339 1.00 0.00 H new ATOM 0 HG2 PRO A 29 4.594 4.718 -3.560 1.00 0.00 H new ATOM 0 HG3 PRO A 29 4.114 4.618 -1.877 1.00 0.00 H new ATOM 0 HD2 PRO A 29 6.154 3.115 -2.883 1.00 0.00 H new ATOM 0 HD3 PRO A 29 5.151 2.544 -1.564 1.00 0.00 H new ATOM 480 N LEU A 30 2.090 2.106 -6.088 1.00 0.00 N ATOM 481 CA LEU A 30 1.906 2.314 -7.524 1.00 0.00 C ATOM 482 C LEU A 30 1.999 3.803 -7.869 1.00 0.00 C ATOM 483 O LEU A 30 2.086 4.188 -9.034 1.00 0.00 O ATOM 484 CB LEU A 30 0.541 1.760 -7.943 1.00 0.00 C ATOM 485 CG LEU A 30 0.282 1.702 -9.448 1.00 0.00 C ATOM 486 CD1 LEU A 30 1.244 0.733 -10.113 1.00 0.00 C ATOM 487 CD2 LEU A 30 -1.157 1.292 -9.722 1.00 0.00 C ATOM 0 H LEU A 30 1.282 1.694 -5.622 1.00 0.00 H new ATOM 0 HA LEU A 30 2.694 1.790 -8.064 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.438 0.754 -7.536 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.235 2.371 -7.483 1.00 0.00 H new ATOM 0 HG LEU A 30 0.445 2.695 -9.867 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.047 0.703 -11.185 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.269 1.062 -9.942 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.108 -0.263 -9.691 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.326 1.255 -10.798 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.343 0.308 -9.291 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -1.834 2.019 -9.273 1.00 0.00 H new ATOM 499 N THR A 31 2.000 4.624 -6.829 1.00 0.00 N ATOM 500 CA THR A 31 2.035 6.065 -6.963 1.00 0.00 C ATOM 501 C THR A 31 3.452 6.576 -7.188 1.00 0.00 C ATOM 502 O THR A 31 3.647 7.729 -7.577 1.00 0.00 O ATOM 503 CB THR A 31 1.450 6.710 -5.701 1.00 0.00 C ATOM 504 OG1 THR A 31 2.145 6.216 -4.552 1.00 0.00 O ATOM 505 CG2 THR A 31 -0.022 6.372 -5.570 1.00 0.00 C ATOM 0 H THR A 31 1.976 4.301 -5.862 1.00 0.00 H new ATOM 0 HA THR A 31 1.439 6.337 -7.835 1.00 0.00 H new ATOM 0 HB THR A 31 1.563 7.792 -5.774 1.00 0.00 H new ATOM 0 HG1 THR A 31 1.775 6.628 -3.744 1.00 0.00 H new ATOM 0 HG21 THR A 31 -0.423 6.837 -4.669 1.00 0.00 H new ATOM 0 HG22 THR A 31 -0.560 6.745 -6.442 1.00 0.00 H new ATOM 0 HG23 THR A 31 -0.143 5.291 -5.505 1.00 0.00 H new ATOM 513 N ASP A 32 4.445 5.731 -6.927 1.00 0.00 N ATOM 514 CA ASP A 32 5.829 6.099 -7.206 1.00 0.00 C ATOM 515 C ASP A 32 6.154 5.882 -8.677 1.00 0.00 C ATOM 516 O ASP A 32 5.274 5.574 -9.486 1.00 0.00 O ATOM 517 CB ASP A 32 6.823 5.341 -6.314 1.00 0.00 C ATOM 518 CG ASP A 32 7.022 6.020 -4.969 1.00 0.00 C ATOM 519 OD1 ASP A 32 7.278 7.248 -4.950 1.00 0.00 O ATOM 520 OD2 ASP A 32 6.924 5.343 -3.929 1.00 0.00 O ATOM 0 H ASP A 32 4.321 4.800 -6.529 1.00 0.00 H new ATOM 0 HA ASP A 32 5.934 7.159 -6.974 1.00 0.00 H new ATOM 0 HB2 ASP A 32 6.464 4.324 -6.156 1.00 0.00 H new ATOM 0 HB3 ASP A 32 7.782 5.264 -6.826 1.00 0.00 H new ATOM 525 N GLN A 33 7.414 6.050 -9.031 1.00 0.00 N ATOM 526 CA GLN A 33 7.808 6.036 -10.427 1.00 0.00 C ATOM 527 C GLN A 33 9.175 5.399 -10.618 1.00 0.00 C ATOM 528 O GLN A 33 9.868 5.085 -9.648 1.00 0.00 O ATOM 529 CB GLN A 33 7.797 7.462 -10.996 1.00 0.00 C ATOM 530 CG GLN A 33 8.578 8.481 -10.169 1.00 0.00 C ATOM 531 CD GLN A 33 7.825 8.999 -8.945 1.00 0.00 C ATOM 532 OE1 GLN A 33 8.435 9.323 -7.924 1.00 0.00 O ATOM 533 NE2 GLN A 33 6.504 9.104 -9.037 1.00 0.00 N ATOM 0 H GLN A 33 8.180 6.197 -8.374 1.00 0.00 H new ATOM 0 HA GLN A 33 7.084 5.430 -10.971 1.00 0.00 H new ATOM 0 HB2 GLN A 33 8.209 7.440 -12.005 1.00 0.00 H new ATOM 0 HB3 GLN A 33 6.763 7.798 -11.081 1.00 0.00 H new ATOM 0 HG2 GLN A 33 9.513 8.027 -9.842 1.00 0.00 H new ATOM 0 HG3 GLN A 33 8.840 9.326 -10.806 1.00 0.00 H new ATOM 0 HE21 GLN A 33 6.029 8.827 -9.896 1.00 0.00 H new ATOM 0 HE22 GLN A 33 5.965 9.461 -8.248 1.00 0.00 H new ATOM 542 N VAL A 34 9.555 5.225 -11.882 1.00 0.00 N ATOM 543 CA VAL A 34 10.819 4.587 -12.233 1.00 0.00 C ATOM 544 C VAL A 34 12.001 5.379 -11.687 1.00 0.00 C ATOM 545 O VAL A 34 13.060 4.819 -11.402 1.00 0.00 O ATOM 546 CB VAL A 34 10.968 4.442 -13.763 1.00 0.00 C ATOM 547 CG1 VAL A 34 12.234 3.681 -14.118 1.00 0.00 C ATOM 548 CG2 VAL A 34 9.746 3.763 -14.359 1.00 0.00 C ATOM 0 H VAL A 34 9.000 5.520 -12.685 1.00 0.00 H new ATOM 0 HA VAL A 34 10.813 3.595 -11.782 1.00 0.00 H new ATOM 0 HB VAL A 34 11.047 5.442 -14.190 1.00 0.00 H new ATOM 0 HG11 VAL A 34 12.314 3.593 -15.202 1.00 0.00 H new ATOM 0 HG12 VAL A 34 13.101 4.217 -13.732 1.00 0.00 H new ATOM 0 HG13 VAL A 34 12.196 2.686 -13.675 1.00 0.00 H new ATOM 0 HG21 VAL A 34 9.871 3.671 -15.438 1.00 0.00 H new ATOM 0 HG22 VAL A 34 9.631 2.772 -13.921 1.00 0.00 H new ATOM 0 HG23 VAL A 34 8.859 4.359 -14.146 1.00 0.00 H new ATOM 558 N SER A 35 11.798 6.683 -11.535 1.00 0.00 N ATOM 559 CA SER A 35 12.809 7.575 -10.980 1.00 0.00 C ATOM 560 C SER A 35 13.319 7.069 -9.630 1.00 0.00 C ATOM 561 O SER A 35 14.490 7.239 -9.299 1.00 0.00 O ATOM 562 CB SER A 35 12.210 8.969 -10.822 1.00 0.00 C ATOM 563 OG SER A 35 11.303 9.232 -11.875 1.00 0.00 O ATOM 0 H SER A 35 10.929 7.151 -11.793 1.00 0.00 H new ATOM 0 HA SER A 35 13.658 7.608 -11.663 1.00 0.00 H new ATOM 0 HB2 SER A 35 11.698 9.046 -9.863 1.00 0.00 H new ATOM 0 HB3 SER A 35 13.004 9.716 -10.821 1.00 0.00 H new ATOM 0 HG SER A 35 10.923 10.128 -11.763 1.00 0.00 H new ATOM 569 N VAL A 36 12.438 6.431 -8.867 1.00 0.00 N ATOM 570 CA VAL A 36 12.795 5.885 -7.575 1.00 0.00 C ATOM 571 C VAL A 36 13.645 4.633 -7.748 1.00 0.00 C ATOM 572 O VAL A 36 14.548 4.363 -6.961 1.00 0.00 O ATOM 573 CB VAL A 36 11.530 5.544 -6.764 1.00 0.00 C ATOM 574 CG1 VAL A 36 11.898 5.058 -5.383 1.00 0.00 C ATOM 575 CG2 VAL A 36 10.604 6.748 -6.676 1.00 0.00 C ATOM 0 H VAL A 36 11.464 6.282 -9.130 1.00 0.00 H new ATOM 0 HA VAL A 36 13.370 6.636 -7.034 1.00 0.00 H new ATOM 0 HB VAL A 36 11.001 4.743 -7.281 1.00 0.00 H new ATOM 0 HG11 VAL A 36 10.991 4.823 -4.826 1.00 0.00 H new ATOM 0 HG12 VAL A 36 12.516 4.164 -5.465 1.00 0.00 H new ATOM 0 HG13 VAL A 36 12.453 5.836 -4.859 1.00 0.00 H new ATOM 0 HG21 VAL A 36 9.718 6.484 -6.099 1.00 0.00 H new ATOM 0 HG22 VAL A 36 11.124 7.572 -6.186 1.00 0.00 H new ATOM 0 HG23 VAL A 36 10.306 7.052 -7.679 1.00 0.00 H new ATOM 585 N ILE A 37 13.358 3.886 -8.798 1.00 0.00 N ATOM 586 CA ILE A 37 14.072 2.648 -9.073 1.00 0.00 C ATOM 587 C ILE A 37 15.506 2.934 -9.517 1.00 0.00 C ATOM 588 O ILE A 37 16.456 2.390 -8.960 1.00 0.00 O ATOM 589 CB ILE A 37 13.369 1.811 -10.167 1.00 0.00 C ATOM 590 CG1 ILE A 37 11.868 1.669 -9.878 1.00 0.00 C ATOM 591 CG2 ILE A 37 14.031 0.445 -10.288 1.00 0.00 C ATOM 592 CD1 ILE A 37 11.540 1.088 -8.522 1.00 0.00 C ATOM 0 H ILE A 37 12.633 4.114 -9.478 1.00 0.00 H new ATOM 0 HA ILE A 37 14.080 2.078 -8.144 1.00 0.00 H new ATOM 0 HB ILE A 37 13.472 2.333 -11.118 1.00 0.00 H new ATOM 0 HG12 ILE A 37 11.401 2.651 -9.961 1.00 0.00 H new ATOM 0 HG13 ILE A 37 11.422 1.038 -10.647 1.00 0.00 H new ATOM 0 HG21 ILE A 37 13.528 -0.136 -11.061 1.00 0.00 H new ATOM 0 HG22 ILE A 37 15.080 0.572 -10.554 1.00 0.00 H new ATOM 0 HG23 ILE A 37 13.959 -0.080 -9.335 1.00 0.00 H new ATOM 0 HD11 ILE A 37 10.458 1.025 -8.405 1.00 0.00 H new ATOM 0 HD12 ILE A 37 11.973 0.091 -8.439 1.00 0.00 H new ATOM 0 HD13 ILE A 37 11.952 1.729 -7.742 1.00 0.00 H new ATOM 604 N LYS A 38 15.654 3.796 -10.514 1.00 0.00 N ATOM 605 CA LYS A 38 16.973 4.134 -11.042 1.00 0.00 C ATOM 606 C LYS A 38 17.880 4.702 -9.958 1.00 0.00 C ATOM 607 O LYS A 38 19.056 4.344 -9.872 1.00 0.00 O ATOM 608 CB LYS A 38 16.865 5.141 -12.187 1.00 0.00 C ATOM 609 CG LYS A 38 15.877 6.264 -11.926 1.00 0.00 C ATOM 610 CD LYS A 38 16.296 7.558 -12.602 1.00 0.00 C ATOM 611 CE LYS A 38 17.546 8.135 -11.962 1.00 0.00 C ATOM 612 NZ LYS A 38 17.905 9.458 -12.539 1.00 0.00 N ATOM 0 H LYS A 38 14.880 4.274 -10.974 1.00 0.00 H new ATOM 0 HA LYS A 38 17.411 3.209 -11.417 1.00 0.00 H new ATOM 0 HB2 LYS A 38 17.849 5.572 -12.373 1.00 0.00 H new ATOM 0 HB3 LYS A 38 16.570 4.614 -13.095 1.00 0.00 H new ATOM 0 HG2 LYS A 38 14.891 5.970 -12.285 1.00 0.00 H new ATOM 0 HG3 LYS A 38 15.789 6.428 -10.852 1.00 0.00 H new ATOM 0 HD2 LYS A 38 16.478 7.375 -13.661 1.00 0.00 H new ATOM 0 HD3 LYS A 38 15.485 8.283 -12.539 1.00 0.00 H new ATOM 0 HE2 LYS A 38 17.390 8.238 -10.888 1.00 0.00 H new ATOM 0 HE3 LYS A 38 18.376 7.442 -12.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 18.764 9.818 -12.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 18.079 9.356 -13.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 17.123 10.127 -12.387 1.00 0.00 H new ATOM 626 N VAL A 39 17.334 5.579 -9.121 1.00 0.00 N ATOM 627 CA VAL A 39 18.136 6.233 -8.101 1.00 0.00 C ATOM 628 C VAL A 39 18.520 5.245 -7.001 1.00 0.00 C ATOM 629 O VAL A 39 19.652 5.255 -6.525 1.00 0.00 O ATOM 630 CB VAL A 39 17.425 7.467 -7.494 1.00 0.00 C ATOM 631 CG1 VAL A 39 16.194 7.070 -6.697 1.00 0.00 C ATOM 632 CG2 VAL A 39 18.389 8.262 -6.633 1.00 0.00 C ATOM 0 H VAL A 39 16.350 5.849 -9.130 1.00 0.00 H new ATOM 0 HA VAL A 39 19.042 6.590 -8.590 1.00 0.00 H new ATOM 0 HB VAL A 39 17.090 8.097 -8.318 1.00 0.00 H new ATOM 0 HG11 VAL A 39 15.722 7.963 -6.287 1.00 0.00 H new ATOM 0 HG12 VAL A 39 15.489 6.554 -7.349 1.00 0.00 H new ATOM 0 HG13 VAL A 39 16.486 6.407 -5.882 1.00 0.00 H new ATOM 0 HG21 VAL A 39 17.874 9.126 -6.213 1.00 0.00 H new ATOM 0 HG22 VAL A 39 18.759 7.632 -5.824 1.00 0.00 H new ATOM 0 HG23 VAL A 39 19.227 8.600 -7.242 1.00 0.00 H new ATOM 642 N LYS A 40 17.596 4.360 -6.630 1.00 0.00 N ATOM 643 CA LYS A 40 17.865 3.404 -5.563 1.00 0.00 C ATOM 644 C LYS A 40 18.958 2.426 -5.988 1.00 0.00 C ATOM 645 O LYS A 40 19.785 2.016 -5.174 1.00 0.00 O ATOM 646 CB LYS A 40 16.585 2.667 -5.132 1.00 0.00 C ATOM 647 CG LYS A 40 16.100 1.580 -6.074 1.00 0.00 C ATOM 648 CD LYS A 40 14.725 1.091 -5.654 1.00 0.00 C ATOM 649 CE LYS A 40 14.681 0.799 -4.161 1.00 0.00 C ATOM 650 NZ LYS A 40 13.297 0.596 -3.664 1.00 0.00 N ATOM 0 H LYS A 40 16.668 4.287 -7.047 1.00 0.00 H new ATOM 0 HA LYS A 40 18.223 3.956 -4.694 1.00 0.00 H new ATOM 0 HB2 LYS A 40 16.757 2.222 -4.152 1.00 0.00 H new ATOM 0 HB3 LYS A 40 15.788 3.401 -5.013 1.00 0.00 H new ATOM 0 HG2 LYS A 40 16.061 1.964 -7.093 1.00 0.00 H new ATOM 0 HG3 LYS A 40 16.805 0.748 -6.074 1.00 0.00 H new ATOM 0 HD2 LYS A 40 13.976 1.843 -5.903 1.00 0.00 H new ATOM 0 HD3 LYS A 40 14.470 0.190 -6.212 1.00 0.00 H new ATOM 0 HE2 LYS A 40 15.274 -0.091 -3.950 1.00 0.00 H new ATOM 0 HE3 LYS A 40 15.141 1.625 -3.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 13.249 -0.291 -3.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 13.028 1.392 -3.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 12.643 0.545 -4.471 1.00 0.00 H new ATOM 664 N ILE A 41 18.975 2.071 -7.270 1.00 0.00 N ATOM 665 CA ILE A 41 20.008 1.194 -7.800 1.00 0.00 C ATOM 666 C ILE A 41 21.334 1.941 -7.897 1.00 0.00 C ATOM 667 O ILE A 41 22.392 1.404 -7.569 1.00 0.00 O ATOM 668 CB ILE A 41 19.626 0.657 -9.191 1.00 0.00 C ATOM 669 CG1 ILE A 41 18.303 -0.095 -9.110 1.00 0.00 C ATOM 670 CG2 ILE A 41 20.720 -0.251 -9.743 1.00 0.00 C ATOM 671 CD1 ILE A 41 17.712 -0.395 -10.463 1.00 0.00 C ATOM 0 H ILE A 41 18.286 2.377 -7.957 1.00 0.00 H new ATOM 0 HA ILE A 41 20.108 0.351 -7.116 1.00 0.00 H new ATOM 0 HB ILE A 41 19.515 1.502 -9.870 1.00 0.00 H new ATOM 0 HG12 ILE A 41 18.455 -1.030 -8.571 1.00 0.00 H new ATOM 0 HG13 ILE A 41 17.591 0.494 -8.531 1.00 0.00 H new ATOM 0 HG21 ILE A 41 20.427 -0.618 -10.727 1.00 0.00 H new ATOM 0 HG22 ILE A 41 21.650 0.310 -9.828 1.00 0.00 H new ATOM 0 HG23 ILE A 41 20.866 -1.096 -9.070 1.00 0.00 H new ATOM 0 HD11 ILE A 41 16.771 -0.931 -10.338 1.00 0.00 H new ATOM 0 HD12 ILE A 41 17.530 0.538 -10.995 1.00 0.00 H new ATOM 0 HD13 ILE A 41 18.407 -1.009 -11.035 1.00 0.00 H new ATOM 683 N HIS A 42 21.257 3.188 -8.335 1.00 0.00 N ATOM 684 CA HIS A 42 22.430 4.053 -8.461 1.00 0.00 C ATOM 685 C HIS A 42 23.151 4.212 -7.121 1.00 0.00 C ATOM 686 O HIS A 42 24.373 4.351 -7.077 1.00 0.00 O ATOM 687 CB HIS A 42 22.012 5.423 -9.021 1.00 0.00 C ATOM 688 CG HIS A 42 23.077 6.483 -8.939 1.00 0.00 C ATOM 689 ND1 HIS A 42 23.020 7.548 -8.070 1.00 0.00 N ATOM 690 CD2 HIS A 42 24.206 6.657 -9.658 1.00 0.00 C ATOM 691 CE1 HIS A 42 24.064 8.330 -8.263 1.00 0.00 C ATOM 692 NE2 HIS A 42 24.802 7.811 -9.224 1.00 0.00 N ATOM 0 H HIS A 42 20.383 3.633 -8.614 1.00 0.00 H new ATOM 0 HA HIS A 42 23.129 3.585 -9.154 1.00 0.00 H new ATOM 0 HB2 HIS A 42 21.719 5.301 -10.064 1.00 0.00 H new ATOM 0 HB3 HIS A 42 21.131 5.769 -8.480 1.00 0.00 H new ATOM 0 HD1 HIS A 42 22.284 7.708 -7.382 1.00 0.00 H new ATOM 0 HD2 HIS A 42 24.573 6.004 -10.436 1.00 0.00 H new ATOM 0 HE1 HIS A 42 24.278 9.242 -7.725 1.00 0.00 H new ATOM 701 N GLU A 43 22.398 4.186 -6.032 1.00 0.00 N ATOM 702 CA GLU A 43 22.983 4.333 -4.707 1.00 0.00 C ATOM 703 C GLU A 43 23.453 2.980 -4.191 1.00 0.00 C ATOM 704 O GLU A 43 24.470 2.882 -3.503 1.00 0.00 O ATOM 705 CB GLU A 43 21.976 4.929 -3.717 1.00 0.00 C ATOM 706 CG GLU A 43 21.341 6.231 -4.175 1.00 0.00 C ATOM 707 CD GLU A 43 22.351 7.273 -4.607 1.00 0.00 C ATOM 708 OE1 GLU A 43 23.359 7.474 -3.896 1.00 0.00 O ATOM 709 OE2 GLU A 43 22.133 7.903 -5.659 1.00 0.00 O ATOM 0 H GLU A 43 21.385 4.065 -6.038 1.00 0.00 H new ATOM 0 HA GLU A 43 23.831 5.012 -4.791 1.00 0.00 H new ATOM 0 HB2 GLU A 43 21.188 4.199 -3.535 1.00 0.00 H new ATOM 0 HB3 GLU A 43 22.478 5.099 -2.765 1.00 0.00 H new ATOM 0 HG2 GLU A 43 20.665 6.025 -5.005 1.00 0.00 H new ATOM 0 HG3 GLU A 43 20.736 6.636 -3.364 1.00 0.00 H new ATOM 716 N ALA A 44 22.713 1.939 -4.548 1.00 0.00 N ATOM 717 CA ALA A 44 22.981 0.600 -4.049 1.00 0.00 C ATOM 718 C ALA A 44 24.171 -0.037 -4.759 1.00 0.00 C ATOM 719 O ALA A 44 25.051 -0.610 -4.123 1.00 0.00 O ATOM 720 CB ALA A 44 21.744 -0.274 -4.203 1.00 0.00 C ATOM 0 H ALA A 44 21.919 1.999 -5.185 1.00 0.00 H new ATOM 0 HA ALA A 44 23.233 0.682 -2.992 1.00 0.00 H new ATOM 0 HB1 ALA A 44 21.956 -1.275 -3.826 1.00 0.00 H new ATOM 0 HB2 ALA A 44 20.919 0.160 -3.637 1.00 0.00 H new ATOM 0 HB3 ALA A 44 21.470 -0.334 -5.256 1.00 0.00 H new ATOM 726 N THR A 45 24.198 0.059 -6.078 1.00 0.00 N ATOM 727 CA THR A 45 25.252 -0.571 -6.856 1.00 0.00 C ATOM 728 C THR A 45 26.338 0.438 -7.204 1.00 0.00 C ATOM 729 O THR A 45 27.530 0.147 -7.107 1.00 0.00 O ATOM 730 CB THR A 45 24.697 -1.196 -8.155 1.00 0.00 C ATOM 731 OG1 THR A 45 24.493 -0.193 -9.155 1.00 0.00 O ATOM 732 CG2 THR A 45 23.371 -1.880 -7.892 1.00 0.00 C ATOM 0 H THR A 45 23.506 0.565 -6.631 1.00 0.00 H new ATOM 0 HA THR A 45 25.678 -1.365 -6.243 1.00 0.00 H new ATOM 0 HB THR A 45 25.429 -1.923 -8.506 1.00 0.00 H new ATOM 0 HG1 THR A 45 23.813 0.442 -8.847 1.00 0.00 H new ATOM 0 HG21 THR A 45 22.996 -2.314 -8.819 1.00 0.00 H new ATOM 0 HG22 THR A 45 23.509 -2.668 -7.152 1.00 0.00 H new ATOM 0 HG23 THR A 45 22.653 -1.150 -7.516 1.00 0.00 H new ATOM 740 N GLY A 46 25.911 1.622 -7.609 1.00 0.00 N ATOM 741 CA GLY A 46 26.835 2.665 -7.978 1.00 0.00 C ATOM 742 C GLY A 46 26.641 3.119 -9.411 1.00 0.00 C ATOM 743 O GLY A 46 27.246 4.095 -9.845 1.00 0.00 O ATOM 0 H GLY A 46 24.927 1.879 -7.689 1.00 0.00 H new ATOM 0 HA2 GLY A 46 26.707 3.516 -7.308 1.00 0.00 H new ATOM 0 HA3 GLY A 46 27.856 2.307 -7.847 1.00 0.00 H new ATOM 747 N MET A 47 25.786 2.417 -10.144 1.00 0.00 N ATOM 748 CA MET A 47 25.562 2.729 -11.554 1.00 0.00 C ATOM 749 C MET A 47 24.437 3.747 -11.739 1.00 0.00 C ATOM 750 O MET A 47 23.298 3.524 -11.331 1.00 0.00 O ATOM 751 CB MET A 47 25.251 1.452 -12.343 1.00 0.00 C ATOM 752 CG MET A 47 23.929 0.807 -11.965 1.00 0.00 C ATOM 753 SD MET A 47 23.851 -0.964 -12.325 1.00 0.00 S ATOM 754 CE MET A 47 23.874 -0.973 -14.114 1.00 0.00 C ATOM 0 H MET A 47 25.238 1.632 -9.791 1.00 0.00 H new ATOM 0 HA MET A 47 26.480 3.174 -11.939 1.00 0.00 H new ATOM 0 HB2 MET A 47 25.239 1.687 -13.407 1.00 0.00 H new ATOM 0 HB3 MET A 47 26.054 0.733 -12.184 1.00 0.00 H new ATOM 0 HG2 MET A 47 23.752 0.960 -10.900 1.00 0.00 H new ATOM 0 HG3 MET A 47 23.123 1.312 -12.498 1.00 0.00 H new ATOM 0 HE1 MET A 47 24.397 -1.862 -14.467 1.00 0.00 H new ATOM 0 HE2 MET A 47 22.851 -0.981 -14.491 1.00 0.00 H new ATOM 0 HE3 MET A 47 24.387 -0.082 -14.476 1.00 0.00 H new ATOM 764 N PRO A 48 24.757 4.900 -12.335 1.00 0.00 N ATOM 765 CA PRO A 48 23.760 5.908 -12.681 1.00 0.00 C ATOM 766 C PRO A 48 22.823 5.431 -13.782 1.00 0.00 C ATOM 767 O PRO A 48 23.170 4.543 -14.567 1.00 0.00 O ATOM 768 CB PRO A 48 24.586 7.107 -13.154 1.00 0.00 C ATOM 769 CG PRO A 48 25.924 6.558 -13.509 1.00 0.00 C ATOM 770 CD PRO A 48 26.121 5.322 -12.676 1.00 0.00 C ATOM 0 HA PRO A 48 23.114 6.143 -11.835 1.00 0.00 H new ATOM 0 HB2 PRO A 48 24.120 7.589 -14.013 1.00 0.00 H new ATOM 0 HB3 PRO A 48 24.667 7.860 -12.371 1.00 0.00 H new ATOM 0 HG2 PRO A 48 25.975 6.320 -14.572 1.00 0.00 H new ATOM 0 HG3 PRO A 48 26.707 7.289 -13.308 1.00 0.00 H new ATOM 0 HD2 PRO A 48 26.651 4.548 -13.231 1.00 0.00 H new ATOM 0 HD3 PRO A 48 26.708 5.533 -11.782 1.00 0.00 H new ATOM 778 N ALA A 49 21.646 6.035 -13.847 1.00 0.00 N ATOM 779 CA ALA A 49 20.615 5.628 -14.796 1.00 0.00 C ATOM 780 C ALA A 49 21.043 5.891 -16.238 1.00 0.00 C ATOM 781 O ALA A 49 20.406 5.425 -17.185 1.00 0.00 O ATOM 782 CB ALA A 49 19.327 6.365 -14.495 1.00 0.00 C ATOM 0 H ALA A 49 21.378 6.816 -13.249 1.00 0.00 H new ATOM 0 HA ALA A 49 20.459 4.555 -14.687 1.00 0.00 H new ATOM 0 HB1 ALA A 49 18.558 6.059 -15.205 1.00 0.00 H new ATOM 0 HB2 ALA A 49 19.000 6.128 -13.482 1.00 0.00 H new ATOM 0 HB3 ALA A 49 19.494 7.439 -14.581 1.00 0.00 H new ATOM 788 N GLY A 50 22.123 6.650 -16.388 1.00 0.00 N ATOM 789 CA GLY A 50 22.671 6.941 -17.697 1.00 0.00 C ATOM 790 C GLY A 50 23.010 5.690 -18.478 1.00 0.00 C ATOM 791 O GLY A 50 22.869 5.650 -19.697 1.00 0.00 O ATOM 0 H GLY A 50 22.634 7.074 -15.613 1.00 0.00 H new ATOM 0 HA2 GLY A 50 21.953 7.535 -18.263 1.00 0.00 H new ATOM 0 HA3 GLY A 50 23.569 7.549 -17.584 1.00 0.00 H new ATOM 795 N LYS A 51 23.437 4.656 -17.770 1.00 0.00 N ATOM 796 CA LYS A 51 23.853 3.417 -18.417 1.00 0.00 C ATOM 797 C LYS A 51 23.100 2.240 -17.818 1.00 0.00 C ATOM 798 O LYS A 51 23.224 1.107 -18.270 1.00 0.00 O ATOM 799 CB LYS A 51 25.369 3.174 -18.292 1.00 0.00 C ATOM 800 CG LYS A 51 26.189 4.347 -17.750 1.00 0.00 C ATOM 801 CD LYS A 51 25.980 4.561 -16.255 1.00 0.00 C ATOM 802 CE LYS A 51 26.110 3.272 -15.477 1.00 0.00 C ATOM 803 NZ LYS A 51 27.484 2.711 -15.571 1.00 0.00 N ATOM 0 H LYS A 51 23.505 4.648 -16.752 1.00 0.00 H new ATOM 0 HA LYS A 51 23.618 3.512 -19.477 1.00 0.00 H new ATOM 0 HB2 LYS A 51 25.528 2.313 -17.642 1.00 0.00 H new ATOM 0 HB3 LYS A 51 25.757 2.907 -19.275 1.00 0.00 H new ATOM 0 HG2 LYS A 51 27.246 4.168 -17.944 1.00 0.00 H new ATOM 0 HG3 LYS A 51 25.916 5.256 -18.286 1.00 0.00 H new ATOM 0 HD2 LYS A 51 26.709 5.283 -15.886 1.00 0.00 H new ATOM 0 HD3 LYS A 51 24.993 4.990 -16.084 1.00 0.00 H new ATOM 0 HE2 LYS A 51 25.860 3.451 -14.431 1.00 0.00 H new ATOM 0 HE3 LYS A 51 25.393 2.544 -15.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 27.474 1.716 -15.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 27.816 2.769 -16.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 28.124 3.254 -14.957 1.00 0.00 H new ATOM 817 N GLN A 52 22.324 2.525 -16.795 1.00 0.00 N ATOM 818 CA GLN A 52 21.548 1.519 -16.104 1.00 0.00 C ATOM 819 C GLN A 52 20.107 1.576 -16.604 1.00 0.00 C ATOM 820 O GLN A 52 19.423 2.584 -16.443 1.00 0.00 O ATOM 821 CB GLN A 52 21.677 1.785 -14.599 1.00 0.00 C ATOM 822 CG GLN A 52 20.488 1.399 -13.735 1.00 0.00 C ATOM 823 CD GLN A 52 19.696 2.600 -13.261 1.00 0.00 C ATOM 824 OE1 GLN A 52 18.646 2.923 -13.801 1.00 0.00 O ATOM 825 NE2 GLN A 52 20.252 3.328 -12.316 1.00 0.00 N ATOM 0 H GLN A 52 22.213 3.466 -16.417 1.00 0.00 H new ATOM 0 HA GLN A 52 21.908 0.509 -16.300 1.00 0.00 H new ATOM 0 HB2 GLN A 52 22.553 1.249 -14.232 1.00 0.00 H new ATOM 0 HB3 GLN A 52 21.871 2.848 -14.456 1.00 0.00 H new ATOM 0 HG2 GLN A 52 19.833 0.737 -14.301 1.00 0.00 H new ATOM 0 HG3 GLN A 52 20.840 0.836 -12.870 1.00 0.00 H new ATOM 0 HE21 GLN A 52 21.128 3.027 -11.889 1.00 0.00 H new ATOM 0 HE22 GLN A 52 19.807 4.194 -12.011 1.00 0.00 H new ATOM 834 N LYS A 53 19.683 0.521 -17.281 1.00 0.00 N ATOM 835 CA LYS A 53 18.354 0.479 -17.868 1.00 0.00 C ATOM 836 C LYS A 53 17.460 -0.468 -17.093 1.00 0.00 C ATOM 837 O LYS A 53 17.868 -1.574 -16.731 1.00 0.00 O ATOM 838 CB LYS A 53 18.420 0.036 -19.334 1.00 0.00 C ATOM 839 CG LYS A 53 19.352 0.866 -20.220 1.00 0.00 C ATOM 840 CD LYS A 53 18.756 2.223 -20.594 1.00 0.00 C ATOM 841 CE LYS A 53 18.895 3.246 -19.471 1.00 0.00 C ATOM 842 NZ LYS A 53 18.210 4.528 -19.778 1.00 0.00 N ATOM 0 H LYS A 53 20.241 -0.318 -17.438 1.00 0.00 H new ATOM 0 HA LYS A 53 17.936 1.485 -17.821 1.00 0.00 H new ATOM 0 HB2 LYS A 53 18.742 -1.005 -19.369 1.00 0.00 H new ATOM 0 HB3 LYS A 53 17.415 0.073 -19.755 1.00 0.00 H new ATOM 0 HG2 LYS A 53 20.298 1.020 -19.701 1.00 0.00 H new ATOM 0 HG3 LYS A 53 19.574 0.308 -21.130 1.00 0.00 H new ATOM 0 HD2 LYS A 53 19.250 2.600 -21.489 1.00 0.00 H new ATOM 0 HD3 LYS A 53 17.702 2.099 -20.841 1.00 0.00 H new ATOM 0 HE2 LYS A 53 18.483 2.829 -18.552 1.00 0.00 H new ATOM 0 HE3 LYS A 53 19.952 3.438 -19.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 18.335 5.187 -18.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 18.619 4.943 -20.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 17.196 4.353 -19.926 1.00 0.00 H new ATOM 856 N LEU A 54 16.245 -0.020 -16.833 1.00 0.00 N ATOM 857 CA LEU A 54 15.259 -0.841 -16.162 1.00 0.00 C ATOM 858 C LEU A 54 14.263 -1.352 -17.182 1.00 0.00 C ATOM 859 O LEU A 54 13.546 -0.579 -17.814 1.00 0.00 O ATOM 860 CB LEU A 54 14.510 -0.072 -15.065 1.00 0.00 C ATOM 861 CG LEU A 54 15.362 0.683 -14.039 1.00 0.00 C ATOM 862 CD1 LEU A 54 16.557 -0.149 -13.611 1.00 0.00 C ATOM 863 CD2 LEU A 54 15.796 2.037 -14.583 1.00 0.00 C ATOM 0 H LEU A 54 15.918 0.914 -17.079 1.00 0.00 H new ATOM 0 HA LEU A 54 15.785 -1.668 -15.684 1.00 0.00 H new ATOM 0 HB2 LEU A 54 13.846 0.645 -15.547 1.00 0.00 H new ATOM 0 HB3 LEU A 54 13.879 -0.779 -14.527 1.00 0.00 H new ATOM 0 HG LEU A 54 14.749 0.863 -13.156 1.00 0.00 H new ATOM 0 HD11 LEU A 54 17.146 0.408 -12.883 1.00 0.00 H new ATOM 0 HD12 LEU A 54 16.210 -1.080 -13.162 1.00 0.00 H new ATOM 0 HD13 LEU A 54 17.174 -0.374 -14.481 1.00 0.00 H new ATOM 0 HD21 LEU A 54 16.399 2.553 -13.836 1.00 0.00 H new ATOM 0 HD22 LEU A 54 16.385 1.893 -15.489 1.00 0.00 H new ATOM 0 HD23 LEU A 54 14.915 2.636 -14.814 1.00 0.00 H new ATOM 875 N GLN A 55 14.232 -2.649 -17.349 1.00 0.00 N ATOM 876 CA GLN A 55 13.363 -3.268 -18.320 1.00 0.00 C ATOM 877 C GLN A 55 12.227 -3.999 -17.628 1.00 0.00 C ATOM 878 O GLN A 55 12.445 -4.965 -16.916 1.00 0.00 O ATOM 879 CB GLN A 55 14.169 -4.233 -19.174 1.00 0.00 C ATOM 880 CG GLN A 55 13.322 -5.125 -20.056 1.00 0.00 C ATOM 881 CD GLN A 55 14.145 -6.117 -20.847 1.00 0.00 C ATOM 882 OE1 GLN A 55 14.427 -7.219 -20.382 1.00 0.00 O ATOM 883 NE2 GLN A 55 14.502 -5.739 -22.063 1.00 0.00 N ATOM 0 H GLN A 55 14.806 -3.305 -16.819 1.00 0.00 H new ATOM 0 HA GLN A 55 12.931 -2.496 -18.957 1.00 0.00 H new ATOM 0 HB2 GLN A 55 14.854 -3.663 -19.802 1.00 0.00 H new ATOM 0 HB3 GLN A 55 14.779 -4.857 -18.522 1.00 0.00 H new ATOM 0 HG2 GLN A 55 12.606 -5.665 -19.437 1.00 0.00 H new ATOM 0 HG3 GLN A 55 12.746 -4.507 -20.744 1.00 0.00 H new ATOM 0 HE21 GLN A 55 14.244 -4.813 -22.406 1.00 0.00 H new ATOM 0 HE22 GLN A 55 15.035 -6.373 -22.658 1.00 0.00 H new ATOM 892 N TYR A 56 11.013 -3.562 -17.855 1.00 0.00 N ATOM 893 CA TYR A 56 9.872 -4.194 -17.228 1.00 0.00 C ATOM 894 C TYR A 56 9.197 -5.108 -18.210 1.00 0.00 C ATOM 895 O TYR A 56 8.502 -4.670 -19.116 1.00 0.00 O ATOM 896 CB TYR A 56 8.911 -3.143 -16.678 1.00 0.00 C ATOM 897 CG TYR A 56 7.580 -3.682 -16.177 1.00 0.00 C ATOM 898 CD1 TYR A 56 7.505 -4.888 -15.492 1.00 0.00 C ATOM 899 CD2 TYR A 56 6.397 -2.979 -16.391 1.00 0.00 C ATOM 900 CE1 TYR A 56 6.297 -5.377 -15.035 1.00 0.00 C ATOM 901 CE2 TYR A 56 5.187 -3.462 -15.934 1.00 0.00 C ATOM 902 CZ TYR A 56 5.141 -4.660 -15.259 1.00 0.00 C ATOM 903 OH TYR A 56 3.935 -5.144 -14.803 1.00 0.00 O ATOM 0 H TYR A 56 10.787 -2.776 -18.465 1.00 0.00 H new ATOM 0 HA TYR A 56 10.210 -4.794 -16.383 1.00 0.00 H new ATOM 0 HB2 TYR A 56 9.403 -2.617 -15.860 1.00 0.00 H new ATOM 0 HB3 TYR A 56 8.716 -2.408 -17.459 1.00 0.00 H new ATOM 0 HD1 TYR A 56 8.408 -5.454 -15.314 1.00 0.00 H new ATOM 0 HD2 TYR A 56 6.427 -2.040 -16.924 1.00 0.00 H new ATOM 0 HE1 TYR A 56 6.258 -6.317 -14.504 1.00 0.00 H new ATOM 0 HE2 TYR A 56 4.280 -2.901 -16.106 1.00 0.00 H new ATOM 0 HH TYR A 56 3.220 -4.518 -15.042 1.00 0.00 H new ATOM 913 N GLU A 57 9.460 -6.392 -18.022 1.00 0.00 N ATOM 914 CA GLU A 57 8.914 -7.433 -18.869 1.00 0.00 C ATOM 915 C GLU A 57 9.281 -7.230 -20.336 1.00 0.00 C ATOM 916 O GLU A 57 8.540 -7.624 -21.239 1.00 0.00 O ATOM 917 CB GLU A 57 7.410 -7.473 -18.675 1.00 0.00 C ATOM 918 CG GLU A 57 7.040 -7.898 -17.272 1.00 0.00 C ATOM 919 CD GLU A 57 7.671 -9.226 -16.886 1.00 0.00 C ATOM 920 OE1 GLU A 57 8.878 -9.242 -16.536 1.00 0.00 O ATOM 921 OE2 GLU A 57 6.977 -10.262 -16.952 1.00 0.00 O ATOM 0 H GLU A 57 10.061 -6.739 -17.274 1.00 0.00 H new ATOM 0 HA GLU A 57 9.348 -8.390 -18.580 1.00 0.00 H new ATOM 0 HB2 GLU A 57 6.990 -6.488 -18.880 1.00 0.00 H new ATOM 0 HB3 GLU A 57 6.968 -8.164 -19.393 1.00 0.00 H new ATOM 0 HG2 GLU A 57 7.356 -7.129 -16.567 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.956 -7.977 -17.193 1.00 0.00 H new ATOM 928 N GLY A 58 10.443 -6.640 -20.565 1.00 0.00 N ATOM 929 CA GLY A 58 10.928 -6.450 -21.924 1.00 0.00 C ATOM 930 C GLY A 58 10.642 -5.056 -22.433 1.00 0.00 C ATOM 931 O GLY A 58 10.651 -4.802 -23.637 1.00 0.00 O ATOM 0 H GLY A 58 11.063 -6.287 -19.836 1.00 0.00 H new ATOM 0 HA2 GLY A 58 12.002 -6.635 -21.956 1.00 0.00 H new ATOM 0 HA3 GLY A 58 10.459 -7.181 -22.583 1.00 0.00 H new ATOM 935 N ILE A 59 10.396 -4.151 -21.503 1.00 0.00 N ATOM 936 CA ILE A 59 10.079 -2.778 -21.827 1.00 0.00 C ATOM 937 C ILE A 59 11.081 -1.874 -21.135 1.00 0.00 C ATOM 938 O ILE A 59 11.107 -1.810 -19.905 1.00 0.00 O ATOM 939 CB ILE A 59 8.652 -2.419 -21.355 1.00 0.00 C ATOM 940 CG1 ILE A 59 7.661 -3.512 -21.777 1.00 0.00 C ATOM 941 CG2 ILE A 59 8.235 -1.066 -21.914 1.00 0.00 C ATOM 942 CD1 ILE A 59 6.314 -3.435 -21.077 1.00 0.00 C ATOM 0 H ILE A 59 10.411 -4.350 -20.503 1.00 0.00 H new ATOM 0 HA ILE A 59 10.127 -2.645 -22.908 1.00 0.00 H new ATOM 0 HB ILE A 59 8.648 -2.355 -20.267 1.00 0.00 H new ATOM 0 HG12 ILE A 59 7.503 -3.447 -22.854 1.00 0.00 H new ATOM 0 HG13 ILE A 59 8.106 -4.487 -21.578 1.00 0.00 H new ATOM 0 HG21 ILE A 59 7.228 -0.826 -21.573 1.00 0.00 H new ATOM 0 HG22 ILE A 59 8.928 -0.300 -21.566 1.00 0.00 H new ATOM 0 HG23 ILE A 59 8.251 -1.102 -23.003 1.00 0.00 H new ATOM 0 HD11 ILE A 59 5.673 -4.242 -21.432 1.00 0.00 H new ATOM 0 HD12 ILE A 59 6.457 -3.532 -20.001 1.00 0.00 H new ATOM 0 HD13 ILE A 59 5.844 -2.476 -21.296 1.00 0.00 H new ATOM 954 N PHE A 60 11.932 -1.215 -21.905 1.00 0.00 N ATOM 955 CA PHE A 60 12.905 -0.302 -21.325 1.00 0.00 C ATOM 956 C PHE A 60 12.209 0.950 -20.827 1.00 0.00 C ATOM 957 O PHE A 60 11.931 1.880 -21.587 1.00 0.00 O ATOM 958 CB PHE A 60 14.020 0.049 -22.316 1.00 0.00 C ATOM 959 CG PHE A 60 15.082 -1.008 -22.423 1.00 0.00 C ATOM 960 CD1 PHE A 60 15.431 -1.772 -21.322 1.00 0.00 C ATOM 961 CD2 PHE A 60 15.737 -1.229 -23.620 1.00 0.00 C ATOM 962 CE1 PHE A 60 16.409 -2.742 -21.416 1.00 0.00 C ATOM 963 CE2 PHE A 60 16.719 -2.197 -23.722 1.00 0.00 C ATOM 964 CZ PHE A 60 17.057 -2.952 -22.617 1.00 0.00 C ATOM 0 H PHE A 60 11.970 -1.293 -22.921 1.00 0.00 H new ATOM 0 HA PHE A 60 13.376 -0.805 -20.481 1.00 0.00 H new ATOM 0 HB2 PHE A 60 13.582 0.213 -23.300 1.00 0.00 H new ATOM 0 HB3 PHE A 60 14.483 0.988 -22.012 1.00 0.00 H new ATOM 0 HD1 PHE A 60 14.932 -1.607 -20.378 1.00 0.00 H new ATOM 0 HD2 PHE A 60 15.479 -0.638 -24.486 1.00 0.00 H new ATOM 0 HE1 PHE A 60 16.667 -3.336 -20.551 1.00 0.00 H new ATOM 0 HE2 PHE A 60 17.220 -2.362 -24.664 1.00 0.00 H new ATOM 0 HZ PHE A 60 17.827 -3.706 -22.692 1.00 0.00 H new ATOM 974 N ILE A 61 11.898 0.938 -19.546 1.00 0.00 N ATOM 975 CA ILE A 61 11.192 2.043 -18.923 1.00 0.00 C ATOM 976 C ILE A 61 12.161 3.177 -18.605 1.00 0.00 C ATOM 977 O ILE A 61 13.381 2.980 -18.585 1.00 0.00 O ATOM 978 CB ILE A 61 10.454 1.584 -17.643 1.00 0.00 C ATOM 979 CG1 ILE A 61 11.430 1.450 -16.465 1.00 0.00 C ATOM 980 CG2 ILE A 61 9.736 0.263 -17.902 1.00 0.00 C ATOM 981 CD1 ILE A 61 11.062 0.369 -15.464 1.00 0.00 C ATOM 0 H ILE A 61 12.124 0.171 -18.912 1.00 0.00 H new ATOM 0 HA ILE A 61 10.444 2.408 -19.627 1.00 0.00 H new ATOM 0 HB ILE A 61 9.715 2.340 -17.378 1.00 0.00 H new ATOM 0 HG12 ILE A 61 12.426 1.242 -16.856 1.00 0.00 H new ATOM 0 HG13 ILE A 61 11.485 2.406 -15.945 1.00 0.00 H new ATOM 0 HG21 ILE A 61 9.219 -0.054 -16.996 1.00 0.00 H new ATOM 0 HG22 ILE A 61 9.012 0.394 -18.706 1.00 0.00 H new ATOM 0 HG23 ILE A 61 10.463 -0.496 -18.189 1.00 0.00 H new ATOM 0 HD11 ILE A 61 11.804 0.344 -14.666 1.00 0.00 H new ATOM 0 HD12 ILE A 61 10.081 0.584 -15.040 1.00 0.00 H new ATOM 0 HD13 ILE A 61 11.036 -0.598 -15.966 1.00 0.00 H new ATOM 993 N LYS A 62 11.626 4.364 -18.381 1.00 0.00 N ATOM 994 CA LYS A 62 12.458 5.514 -18.063 1.00 0.00 C ATOM 995 C LYS A 62 11.869 6.309 -16.906 1.00 0.00 C ATOM 996 O LYS A 62 10.698 6.145 -16.560 1.00 0.00 O ATOM 997 CB LYS A 62 12.658 6.413 -19.289 1.00 0.00 C ATOM 998 CG LYS A 62 11.380 6.922 -19.925 1.00 0.00 C ATOM 999 CD LYS A 62 11.065 6.159 -21.201 1.00 0.00 C ATOM 1000 CE LYS A 62 10.010 6.865 -22.031 1.00 0.00 C ATOM 1001 NZ LYS A 62 9.680 6.105 -23.265 1.00 0.00 N ATOM 0 H LYS A 62 10.625 4.558 -18.413 1.00 0.00 H new ATOM 0 HA LYS A 62 13.435 5.139 -17.759 1.00 0.00 H new ATOM 0 HB2 LYS A 62 13.267 7.269 -18.998 1.00 0.00 H new ATOM 0 HB3 LYS A 62 13.224 5.859 -20.038 1.00 0.00 H new ATOM 0 HG2 LYS A 62 10.554 6.819 -19.222 1.00 0.00 H new ATOM 0 HG3 LYS A 62 11.478 7.985 -20.147 1.00 0.00 H new ATOM 0 HD2 LYS A 62 11.975 6.044 -21.790 1.00 0.00 H new ATOM 0 HD3 LYS A 62 10.719 5.156 -20.950 1.00 0.00 H new ATOM 0 HE2 LYS A 62 9.108 6.999 -21.434 1.00 0.00 H new ATOM 0 HE3 LYS A 62 10.365 7.860 -22.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 8.956 6.619 -23.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 10.536 5.999 -23.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 9.317 5.165 -23.007 1.00 0.00 H new ATOM 1015 N ASP A 63 12.683 7.188 -16.334 1.00 0.00 N ATOM 1016 CA ASP A 63 12.304 7.961 -15.150 1.00 0.00 C ATOM 1017 C ASP A 63 11.287 9.046 -15.489 1.00 0.00 C ATOM 1018 O ASP A 63 10.775 9.733 -14.609 1.00 0.00 O ATOM 1019 CB ASP A 63 13.547 8.569 -14.489 1.00 0.00 C ATOM 1020 CG ASP A 63 14.369 9.452 -15.418 1.00 0.00 C ATOM 1021 OD1 ASP A 63 14.138 9.428 -16.646 1.00 0.00 O ATOM 1022 OD2 ASP A 63 15.276 10.155 -14.921 1.00 0.00 O ATOM 0 H ASP A 63 13.624 7.387 -16.675 1.00 0.00 H new ATOM 0 HA ASP A 63 11.830 7.279 -14.444 1.00 0.00 H new ATOM 0 HB2 ASP A 63 13.237 9.157 -13.625 1.00 0.00 H new ATOM 0 HB3 ASP A 63 14.179 7.763 -14.116 1.00 0.00 H new ATOM 1027 N SER A 64 10.989 9.188 -16.769 1.00 0.00 N ATOM 1028 CA SER A 64 9.934 10.087 -17.207 1.00 0.00 C ATOM 1029 C SER A 64 8.572 9.419 -17.024 1.00 0.00 C ATOM 1030 O SER A 64 7.525 10.050 -17.184 1.00 0.00 O ATOM 1031 CB SER A 64 10.144 10.481 -18.674 1.00 0.00 C ATOM 1032 OG SER A 64 9.121 11.355 -19.128 1.00 0.00 O ATOM 0 H SER A 64 11.463 8.692 -17.524 1.00 0.00 H new ATOM 0 HA SER A 64 9.966 10.992 -16.600 1.00 0.00 H new ATOM 0 HB2 SER A 64 11.114 10.965 -18.787 1.00 0.00 H new ATOM 0 HB3 SER A 64 10.160 9.585 -19.294 1.00 0.00 H new ATOM 0 HG SER A 64 8.302 11.194 -18.615 1.00 0.00 H new ATOM 1038 N ASN A 65 8.602 8.140 -16.672 1.00 0.00 N ATOM 1039 CA ASN A 65 7.392 7.359 -16.499 1.00 0.00 C ATOM 1040 C ASN A 65 7.239 6.939 -15.048 1.00 0.00 C ATOM 1041 O ASN A 65 8.102 7.219 -14.215 1.00 0.00 O ATOM 1042 CB ASN A 65 7.431 6.121 -17.390 1.00 0.00 C ATOM 1043 CG ASN A 65 7.471 6.467 -18.863 1.00 0.00 C ATOM 1044 OD1 ASN A 65 6.952 7.496 -19.293 1.00 0.00 O ATOM 1045 ND2 ASN A 65 8.078 5.599 -19.649 1.00 0.00 N ATOM 0 H ASN A 65 9.463 7.620 -16.500 1.00 0.00 H new ATOM 0 HA ASN A 65 6.540 7.976 -16.783 1.00 0.00 H new ATOM 0 HB2 ASN A 65 8.306 5.523 -17.137 1.00 0.00 H new ATOM 0 HB3 ASN A 65 6.555 5.505 -17.189 1.00 0.00 H new ATOM 0 HD21 ASN A 65 8.129 5.769 -20.653 1.00 0.00 H new ATOM 0 HD22 ASN A 65 8.496 4.757 -19.252 1.00 0.00 H new ATOM 1052 N SER A 66 6.161 6.238 -14.751 1.00 0.00 N ATOM 1053 CA SER A 66 5.856 5.873 -13.388 1.00 0.00 C ATOM 1054 C SER A 66 5.390 4.430 -13.320 1.00 0.00 C ATOM 1055 O SER A 66 5.206 3.781 -14.352 1.00 0.00 O ATOM 1056 CB SER A 66 4.789 6.818 -12.838 1.00 0.00 C ATOM 1057 OG SER A 66 3.644 6.830 -13.673 1.00 0.00 O ATOM 0 H SER A 66 5.483 5.911 -15.440 1.00 0.00 H new ATOM 0 HA SER A 66 6.755 5.963 -12.778 1.00 0.00 H new ATOM 0 HB2 SER A 66 4.507 6.508 -11.832 1.00 0.00 H new ATOM 0 HB3 SER A 66 5.196 7.826 -12.758 1.00 0.00 H new ATOM 0 HG SER A 66 2.974 7.440 -13.300 1.00 0.00 H new ATOM 1063 N LEU A 67 5.207 3.930 -12.111 1.00 0.00 N ATOM 1064 CA LEU A 67 4.770 2.559 -11.913 1.00 0.00 C ATOM 1065 C LEU A 67 3.322 2.407 -12.376 1.00 0.00 C ATOM 1066 O LEU A 67 2.980 1.456 -13.083 1.00 0.00 O ATOM 1067 CB LEU A 67 4.910 2.182 -10.439 1.00 0.00 C ATOM 1068 CG LEU A 67 6.228 2.617 -9.792 1.00 0.00 C ATOM 1069 CD1 LEU A 67 6.206 2.346 -8.301 1.00 0.00 C ATOM 1070 CD2 LEU A 67 7.413 1.918 -10.438 1.00 0.00 C ATOM 0 H LEU A 67 5.355 4.455 -11.249 1.00 0.00 H new ATOM 0 HA LEU A 67 5.394 1.888 -12.503 1.00 0.00 H new ATOM 0 HB2 LEU A 67 4.084 2.626 -9.884 1.00 0.00 H new ATOM 0 HB3 LEU A 67 4.813 1.101 -10.343 1.00 0.00 H new ATOM 0 HG LEU A 67 6.339 3.690 -9.950 1.00 0.00 H new ATOM 0 HD11 LEU A 67 7.151 2.662 -7.860 1.00 0.00 H new ATOM 0 HD12 LEU A 67 5.388 2.901 -7.842 1.00 0.00 H new ATOM 0 HD13 LEU A 67 6.063 1.280 -8.127 1.00 0.00 H new ATOM 0 HD21 LEU A 67 8.335 2.246 -9.958 1.00 0.00 H new ATOM 0 HD22 LEU A 67 7.307 0.839 -10.321 1.00 0.00 H new ATOM 0 HD23 LEU A 67 7.448 2.166 -11.499 1.00 0.00 H new ATOM 1082 N ALA A 68 2.482 3.369 -11.986 1.00 0.00 N ATOM 1083 CA ALA A 68 1.084 3.408 -12.412 1.00 0.00 C ATOM 1084 C ALA A 68 0.971 3.508 -13.929 1.00 0.00 C ATOM 1085 O ALA A 68 0.039 2.969 -14.527 1.00 0.00 O ATOM 1086 CB ALA A 68 0.362 4.577 -11.756 1.00 0.00 C ATOM 0 H ALA A 68 2.751 4.137 -11.371 1.00 0.00 H new ATOM 0 HA ALA A 68 0.613 2.477 -12.097 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -0.678 4.592 -12.083 1.00 0.00 H new ATOM 0 HB2 ALA A 68 0.400 4.466 -10.672 1.00 0.00 H new ATOM 0 HB3 ALA A 68 0.846 5.511 -12.042 1.00 0.00 H new ATOM 1092 N TYR A 69 1.930 4.197 -14.538 1.00 0.00 N ATOM 1093 CA TYR A 69 1.990 4.344 -15.991 1.00 0.00 C ATOM 1094 C TYR A 69 2.027 2.976 -16.670 1.00 0.00 C ATOM 1095 O TYR A 69 1.294 2.723 -17.625 1.00 0.00 O ATOM 1096 CB TYR A 69 3.233 5.165 -16.367 1.00 0.00 C ATOM 1097 CG TYR A 69 3.455 5.357 -17.851 1.00 0.00 C ATOM 1098 CD1 TYR A 69 4.122 4.398 -18.601 1.00 0.00 C ATOM 1099 CD2 TYR A 69 3.016 6.504 -18.501 1.00 0.00 C ATOM 1100 CE1 TYR A 69 4.347 4.571 -19.949 1.00 0.00 C ATOM 1101 CE2 TYR A 69 3.242 6.689 -19.852 1.00 0.00 C ATOM 1102 CZ TYR A 69 3.905 5.717 -20.570 1.00 0.00 C ATOM 1103 OH TYR A 69 4.136 5.896 -21.916 1.00 0.00 O ATOM 0 H TYR A 69 2.686 4.669 -14.042 1.00 0.00 H new ATOM 0 HA TYR A 69 1.096 4.865 -16.335 1.00 0.00 H new ATOM 0 HB2 TYR A 69 3.156 6.146 -15.898 1.00 0.00 H new ATOM 0 HB3 TYR A 69 4.112 4.678 -15.945 1.00 0.00 H new ATOM 0 HD1 TYR A 69 4.472 3.498 -18.118 1.00 0.00 H new ATOM 0 HD2 TYR A 69 2.490 7.263 -17.942 1.00 0.00 H new ATOM 0 HE1 TYR A 69 4.867 3.812 -20.515 1.00 0.00 H new ATOM 0 HE2 TYR A 69 2.901 7.589 -20.342 1.00 0.00 H new ATOM 0 HH TYR A 69 3.760 6.755 -22.201 1.00 0.00 H new ATOM 1113 N TYR A 70 2.872 2.093 -16.154 1.00 0.00 N ATOM 1114 CA TYR A 70 3.029 0.757 -16.721 1.00 0.00 C ATOM 1115 C TYR A 70 2.075 -0.237 -16.074 1.00 0.00 C ATOM 1116 O TYR A 70 2.088 -1.421 -16.410 1.00 0.00 O ATOM 1117 CB TYR A 70 4.467 0.275 -16.546 1.00 0.00 C ATOM 1118 CG TYR A 70 5.457 0.975 -17.441 1.00 0.00 C ATOM 1119 CD1 TYR A 70 5.637 0.569 -18.756 1.00 0.00 C ATOM 1120 CD2 TYR A 70 6.212 2.037 -16.971 1.00 0.00 C ATOM 1121 CE1 TYR A 70 6.544 1.204 -19.579 1.00 0.00 C ATOM 1122 CE2 TYR A 70 7.120 2.679 -17.785 1.00 0.00 C ATOM 1123 CZ TYR A 70 7.282 2.260 -19.090 1.00 0.00 C ATOM 1124 OH TYR A 70 8.193 2.895 -19.899 1.00 0.00 O ATOM 0 H TYR A 70 3.461 2.277 -15.342 1.00 0.00 H new ATOM 0 HA TYR A 70 2.791 0.818 -17.783 1.00 0.00 H new ATOM 0 HB2 TYR A 70 4.765 0.420 -15.508 1.00 0.00 H new ATOM 0 HB3 TYR A 70 4.508 -0.796 -16.743 1.00 0.00 H new ATOM 0 HD1 TYR A 70 5.058 -0.257 -19.141 1.00 0.00 H new ATOM 0 HD2 TYR A 70 6.087 2.367 -15.950 1.00 0.00 H new ATOM 0 HE1 TYR A 70 6.675 0.876 -20.600 1.00 0.00 H new ATOM 0 HE2 TYR A 70 7.702 3.505 -17.404 1.00 0.00 H new ATOM 0 HH TYR A 70 7.733 3.269 -20.679 1.00 0.00 H new ATOM 1134 N ASN A 71 1.260 0.255 -15.143 1.00 0.00 N ATOM 1135 CA ASN A 71 0.313 -0.587 -14.407 1.00 0.00 C ATOM 1136 C ASN A 71 1.053 -1.691 -13.660 1.00 0.00 C ATOM 1137 O ASN A 71 0.620 -2.843 -13.651 1.00 0.00 O ATOM 1138 CB ASN A 71 -0.741 -1.213 -15.341 1.00 0.00 C ATOM 1139 CG ASN A 71 -1.786 -0.225 -15.846 1.00 0.00 C ATOM 1140 OD1 ASN A 71 -2.949 -0.584 -16.048 1.00 0.00 O ATOM 1141 ND2 ASN A 71 -1.387 1.015 -16.069 1.00 0.00 N ATOM 0 H ASN A 71 1.235 1.240 -14.878 1.00 0.00 H new ATOM 0 HA ASN A 71 -0.204 0.055 -13.693 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -0.234 -1.659 -16.197 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -1.246 -2.022 -14.812 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -2.048 1.708 -16.419 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -0.418 1.279 -15.891 1.00 0.00 H new ATOM 1148 N MET A 72 2.178 -1.331 -13.045 1.00 0.00 N ATOM 1149 CA MET A 72 2.966 -2.282 -12.268 1.00 0.00 C ATOM 1150 C MET A 72 2.195 -2.765 -11.044 1.00 0.00 C ATOM 1151 O MET A 72 2.283 -2.175 -9.969 1.00 0.00 O ATOM 1152 CB MET A 72 4.288 -1.658 -11.822 1.00 0.00 C ATOM 1153 CG MET A 72 5.238 -1.332 -12.962 1.00 0.00 C ATOM 1154 SD MET A 72 6.823 -0.705 -12.377 1.00 0.00 S ATOM 1155 CE MET A 72 7.747 -0.612 -13.905 1.00 0.00 C ATOM 0 H MET A 72 2.563 -0.387 -13.071 1.00 0.00 H new ATOM 0 HA MET A 72 3.173 -3.136 -12.913 1.00 0.00 H new ATOM 0 HB2 MET A 72 4.077 -0.744 -11.267 1.00 0.00 H new ATOM 0 HB3 MET A 72 4.785 -2.341 -11.133 1.00 0.00 H new ATOM 0 HG2 MET A 72 5.403 -2.228 -13.561 1.00 0.00 H new ATOM 0 HG3 MET A 72 4.776 -0.592 -13.616 1.00 0.00 H new ATOM 0 HE1 MET A 72 8.762 -0.273 -13.696 1.00 0.00 H new ATOM 0 HE2 MET A 72 7.782 -1.597 -14.370 1.00 0.00 H new ATOM 0 HE3 MET A 72 7.261 0.091 -14.582 1.00 0.00 H new ATOM 1165 N ALA A 73 1.421 -3.820 -11.224 1.00 0.00 N ATOM 1166 CA ALA A 73 0.663 -4.405 -10.132 1.00 0.00 C ATOM 1167 C ALA A 73 1.570 -5.254 -9.246 1.00 0.00 C ATOM 1168 O ALA A 73 2.776 -5.337 -9.484 1.00 0.00 O ATOM 1169 CB ALA A 73 -0.482 -5.243 -10.678 1.00 0.00 C ATOM 0 H ALA A 73 1.300 -4.291 -12.120 1.00 0.00 H new ATOM 0 HA ALA A 73 0.248 -3.600 -9.526 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -1.043 -5.676 -9.850 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -1.143 -4.613 -11.273 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.083 -6.042 -11.303 1.00 0.00 H new ATOM 1175 N ASN A 74 0.983 -5.879 -8.228 1.00 0.00 N ATOM 1176 CA ASN A 74 1.730 -6.750 -7.325 1.00 0.00 C ATOM 1177 C ASN A 74 2.420 -7.857 -8.110 1.00 0.00 C ATOM 1178 O ASN A 74 1.761 -8.693 -8.731 1.00 0.00 O ATOM 1179 CB ASN A 74 0.814 -7.376 -6.266 1.00 0.00 C ATOM 1180 CG ASN A 74 0.214 -6.362 -5.311 1.00 0.00 C ATOM 1181 OD1 ASN A 74 -0.099 -5.234 -5.689 1.00 0.00 O ATOM 1182 ND2 ASN A 74 0.063 -6.756 -4.055 1.00 0.00 N ATOM 0 H ASN A 74 -0.010 -5.798 -8.008 1.00 0.00 H new ATOM 0 HA ASN A 74 2.476 -6.137 -6.820 1.00 0.00 H new ATOM 0 HB2 ASN A 74 0.008 -7.914 -6.766 1.00 0.00 H new ATOM 0 HB3 ASN A 74 1.381 -8.111 -5.694 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -0.325 -6.115 -3.363 1.00 0.00 H new ATOM 0 HD22 ASN A 74 0.335 -7.700 -3.780 1.00 0.00 H new ATOM 1189 N GLY A 75 3.742 -7.856 -8.079 1.00 0.00 N ATOM 1190 CA GLY A 75 4.497 -8.847 -8.807 1.00 0.00 C ATOM 1191 C GLY A 75 5.106 -8.290 -10.074 1.00 0.00 C ATOM 1192 O GLY A 75 5.290 -9.015 -11.049 1.00 0.00 O ATOM 0 H GLY A 75 4.306 -7.183 -7.560 1.00 0.00 H new ATOM 0 HA2 GLY A 75 5.289 -9.239 -8.168 1.00 0.00 H new ATOM 0 HA3 GLY A 75 3.846 -9.684 -9.058 1.00 0.00 H new ATOM 1196 N ALA A 76 5.410 -7.000 -10.072 1.00 0.00 N ATOM 1197 CA ALA A 76 6.035 -6.379 -11.228 1.00 0.00 C ATOM 1198 C ALA A 76 7.523 -6.699 -11.238 1.00 0.00 C ATOM 1199 O ALA A 76 8.266 -6.284 -10.347 1.00 0.00 O ATOM 1200 CB ALA A 76 5.796 -4.881 -11.218 1.00 0.00 C ATOM 0 H ALA A 76 5.236 -6.369 -9.290 1.00 0.00 H new ATOM 0 HA ALA A 76 5.589 -6.780 -12.138 1.00 0.00 H new ATOM 0 HB1 ALA A 76 6.270 -4.431 -12.090 1.00 0.00 H new ATOM 0 HB2 ALA A 76 4.724 -4.683 -11.245 1.00 0.00 H new ATOM 0 HB3 ALA A 76 6.221 -4.451 -10.311 1.00 0.00 H new ATOM 1206 N VAL A 77 7.952 -7.447 -12.241 1.00 0.00 N ATOM 1207 CA VAL A 77 9.336 -7.891 -12.323 1.00 0.00 C ATOM 1208 C VAL A 77 10.121 -7.016 -13.283 1.00 0.00 C ATOM 1209 O VAL A 77 9.946 -7.089 -14.498 1.00 0.00 O ATOM 1210 CB VAL A 77 9.437 -9.363 -12.781 1.00 0.00 C ATOM 1211 CG1 VAL A 77 10.882 -9.840 -12.774 1.00 0.00 C ATOM 1212 CG2 VAL A 77 8.575 -10.257 -11.905 1.00 0.00 C ATOM 0 H VAL A 77 7.362 -7.761 -13.012 1.00 0.00 H new ATOM 0 HA VAL A 77 9.758 -7.809 -11.322 1.00 0.00 H new ATOM 0 HB VAL A 77 9.067 -9.423 -13.805 1.00 0.00 H new ATOM 0 HG11 VAL A 77 10.924 -10.879 -13.101 1.00 0.00 H new ATOM 0 HG12 VAL A 77 11.472 -9.223 -13.451 1.00 0.00 H new ATOM 0 HG13 VAL A 77 11.287 -9.760 -11.765 1.00 0.00 H new ATOM 0 HG21 VAL A 77 8.660 -11.289 -12.244 1.00 0.00 H new ATOM 0 HG22 VAL A 77 8.911 -10.186 -10.871 1.00 0.00 H new ATOM 0 HG23 VAL A 77 7.535 -9.938 -11.971 1.00 0.00 H new ATOM 1222 N ILE A 78 10.968 -6.168 -12.736 1.00 0.00 N ATOM 1223 CA ILE A 78 11.831 -5.344 -13.552 1.00 0.00 C ATOM 1224 C ILE A 78 13.165 -6.041 -13.704 1.00 0.00 C ATOM 1225 O ILE A 78 13.620 -6.733 -12.803 1.00 0.00 O ATOM 1226 CB ILE A 78 12.050 -3.931 -12.963 1.00 0.00 C ATOM 1227 CG1 ILE A 78 10.742 -3.377 -12.383 1.00 0.00 C ATOM 1228 CG2 ILE A 78 12.594 -2.989 -14.026 1.00 0.00 C ATOM 1229 CD1 ILE A 78 9.548 -3.532 -13.293 1.00 0.00 C ATOM 0 H ILE A 78 11.076 -6.033 -11.731 1.00 0.00 H new ATOM 0 HA ILE A 78 11.344 -5.210 -14.518 1.00 0.00 H new ATOM 0 HB ILE A 78 12.780 -4.008 -12.158 1.00 0.00 H new ATOM 0 HG12 ILE A 78 10.534 -3.881 -11.439 1.00 0.00 H new ATOM 0 HG13 ILE A 78 10.877 -2.319 -12.156 1.00 0.00 H new ATOM 0 HG21 ILE A 78 12.742 -1.999 -13.594 1.00 0.00 H new ATOM 0 HG22 ILE A 78 13.546 -3.369 -14.396 1.00 0.00 H new ATOM 0 HG23 ILE A 78 11.884 -2.922 -14.851 1.00 0.00 H new ATOM 0 HD11 ILE A 78 8.665 -3.115 -12.809 1.00 0.00 H new ATOM 0 HD12 ILE A 78 9.732 -3.003 -14.228 1.00 0.00 H new ATOM 0 HD13 ILE A 78 9.383 -4.589 -13.500 1.00 0.00 H new ATOM 1241 N HIS A 79 13.762 -5.875 -14.854 1.00 0.00 N ATOM 1242 CA HIS A 79 15.001 -6.541 -15.185 1.00 0.00 C ATOM 1243 C HIS A 79 16.056 -5.471 -15.372 1.00 0.00 C ATOM 1244 O HIS A 79 15.969 -4.672 -16.305 1.00 0.00 O ATOM 1245 CB HIS A 79 14.854 -7.366 -16.482 1.00 0.00 C ATOM 1246 CG HIS A 79 13.657 -8.283 -16.530 1.00 0.00 C ATOM 1247 ND1 HIS A 79 13.699 -9.562 -17.047 1.00 0.00 N ATOM 1248 CD2 HIS A 79 12.367 -8.080 -16.164 1.00 0.00 C ATOM 1249 CE1 HIS A 79 12.491 -10.099 -16.995 1.00 0.00 C ATOM 1250 NE2 HIS A 79 11.664 -9.217 -16.464 1.00 0.00 N ATOM 0 H HIS A 79 13.403 -5.271 -15.594 1.00 0.00 H new ATOM 0 HA HIS A 79 15.279 -7.229 -14.387 1.00 0.00 H new ATOM 0 HB2 HIS A 79 14.799 -6.679 -17.326 1.00 0.00 H new ATOM 0 HB3 HIS A 79 15.755 -7.964 -16.617 1.00 0.00 H new ATOM 0 HD2 HIS A 79 11.966 -7.183 -15.716 1.00 0.00 H new ATOM 0 HE1 HIS A 79 12.226 -11.091 -17.330 1.00 0.00 H new ATOM 0 HE2 HIS A 79 10.667 -9.359 -16.304 1.00 0.00 H new ATOM 1259 N LEU A 80 17.014 -5.420 -14.472 1.00 0.00 N ATOM 1260 CA LEU A 80 18.064 -4.432 -14.567 1.00 0.00 C ATOM 1261 C LEU A 80 19.104 -4.901 -15.569 1.00 0.00 C ATOM 1262 O LEU A 80 19.543 -6.050 -15.532 1.00 0.00 O ATOM 1263 CB LEU A 80 18.719 -4.182 -13.208 1.00 0.00 C ATOM 1264 CG LEU A 80 19.982 -3.315 -13.255 1.00 0.00 C ATOM 1265 CD1 LEU A 80 19.678 -1.947 -13.847 1.00 0.00 C ATOM 1266 CD2 LEU A 80 20.585 -3.161 -11.873 1.00 0.00 C ATOM 0 H LEU A 80 17.087 -6.047 -13.671 1.00 0.00 H new ATOM 0 HA LEU A 80 17.626 -3.492 -14.901 1.00 0.00 H new ATOM 0 HB2 LEU A 80 17.991 -3.705 -12.552 1.00 0.00 H new ATOM 0 HB3 LEU A 80 18.971 -5.143 -12.759 1.00 0.00 H new ATOM 0 HG LEU A 80 20.706 -3.819 -13.895 1.00 0.00 H new ATOM 0 HD11 LEU A 80 20.590 -1.350 -13.870 1.00 0.00 H new ATOM 0 HD12 LEU A 80 19.296 -2.066 -14.861 1.00 0.00 H new ATOM 0 HD13 LEU A 80 18.930 -1.444 -13.235 1.00 0.00 H new ATOM 0 HD21 LEU A 80 21.480 -2.542 -11.933 1.00 0.00 H new ATOM 0 HD22 LEU A 80 19.860 -2.688 -11.210 1.00 0.00 H new ATOM 0 HD23 LEU A 80 20.849 -4.143 -11.480 1.00 0.00 H new ATOM 1278 N ALA A 81 19.488 -4.019 -16.463 1.00 0.00 N ATOM 1279 CA ALA A 81 20.433 -4.363 -17.494 1.00 0.00 C ATOM 1280 C ALA A 81 21.322 -3.181 -17.813 1.00 0.00 C ATOM 1281 O ALA A 81 20.882 -2.029 -17.772 1.00 0.00 O ATOM 1282 CB ALA A 81 19.693 -4.826 -18.730 1.00 0.00 C ATOM 0 H ALA A 81 19.157 -3.055 -16.495 1.00 0.00 H new ATOM 0 HA ALA A 81 21.067 -5.175 -17.139 1.00 0.00 H new ATOM 0 HB1 ALA A 81 20.411 -5.085 -19.508 1.00 0.00 H new ATOM 0 HB2 ALA A 81 19.090 -5.701 -18.487 1.00 0.00 H new ATOM 0 HB3 ALA A 81 19.045 -4.026 -19.087 1.00 0.00 H new ATOM 1288 N LEU A 82 22.575 -3.459 -18.109 1.00 0.00 N ATOM 1289 CA LEU A 82 23.488 -2.418 -18.516 1.00 0.00 C ATOM 1290 C LEU A 82 23.202 -2.036 -19.960 1.00 0.00 C ATOM 1291 O LEU A 82 22.948 -2.902 -20.797 1.00 0.00 O ATOM 1292 CB LEU A 82 24.939 -2.875 -18.353 1.00 0.00 C ATOM 1293 CG LEU A 82 25.994 -1.795 -18.601 1.00 0.00 C ATOM 1294 CD1 LEU A 82 25.762 -0.594 -17.700 1.00 0.00 C ATOM 1295 CD2 LEU A 82 27.379 -2.354 -18.365 1.00 0.00 C ATOM 0 H LEU A 82 22.981 -4.394 -18.075 1.00 0.00 H new ATOM 0 HA LEU A 82 23.343 -1.545 -17.879 1.00 0.00 H new ATOM 0 HB2 LEU A 82 25.070 -3.263 -17.343 1.00 0.00 H new ATOM 0 HB3 LEU A 82 25.122 -3.703 -19.038 1.00 0.00 H new ATOM 0 HG LEU A 82 25.910 -1.471 -19.638 1.00 0.00 H new ATOM 0 HD11 LEU A 82 26.525 0.160 -17.895 1.00 0.00 H new ATOM 0 HD12 LEU A 82 24.777 -0.174 -17.901 1.00 0.00 H new ATOM 0 HD13 LEU A 82 25.818 -0.905 -16.657 1.00 0.00 H new ATOM 0 HD21 LEU A 82 28.121 -1.576 -18.545 1.00 0.00 H new ATOM 0 HD22 LEU A 82 27.460 -2.702 -17.335 1.00 0.00 H new ATOM 0 HD23 LEU A 82 27.556 -3.188 -19.045 1.00 0.00 H new ATOM 1307 N LYS A 83 23.218 -0.737 -20.220 1.00 0.00 N ATOM 1308 CA LYS A 83 22.948 -0.181 -21.541 1.00 0.00 C ATOM 1309 C LYS A 83 23.704 -0.926 -22.639 1.00 0.00 C ATOM 1310 O LYS A 83 23.126 -1.291 -23.663 1.00 0.00 O ATOM 1311 CB LYS A 83 23.324 1.299 -21.524 1.00 0.00 C ATOM 1312 CG LYS A 83 23.254 1.986 -22.871 1.00 0.00 C ATOM 1313 CD LYS A 83 23.282 3.493 -22.702 1.00 0.00 C ATOM 1314 CE LYS A 83 21.922 4.023 -22.292 1.00 0.00 C ATOM 1315 NZ LYS A 83 21.913 5.505 -22.228 1.00 0.00 N ATOM 0 H LYS A 83 23.421 -0.030 -19.513 1.00 0.00 H new ATOM 0 HA LYS A 83 21.888 -0.296 -21.767 1.00 0.00 H new ATOM 0 HB2 LYS A 83 22.663 1.820 -20.831 1.00 0.00 H new ATOM 0 HB3 LYS A 83 24.337 1.398 -21.133 1.00 0.00 H new ATOM 0 HG2 LYS A 83 24.092 1.668 -23.492 1.00 0.00 H new ATOM 0 HG3 LYS A 83 22.343 1.689 -23.390 1.00 0.00 H new ATOM 0 HD2 LYS A 83 24.023 3.764 -21.950 1.00 0.00 H new ATOM 0 HD3 LYS A 83 23.591 3.961 -23.637 1.00 0.00 H new ATOM 0 HE2 LYS A 83 21.169 3.684 -23.003 1.00 0.00 H new ATOM 0 HE3 LYS A 83 21.649 3.614 -21.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 20.932 5.844 -22.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 22.444 5.820 -21.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 22.357 5.892 -23.085 1.00 0.00 H new ATOM 1329 N GLU A 84 24.989 -1.159 -22.415 1.00 0.00 N ATOM 1330 CA GLU A 84 25.799 -1.914 -23.353 1.00 0.00 C ATOM 1331 C GLU A 84 27.015 -2.491 -22.639 1.00 0.00 C ATOM 1332 O GLU A 84 27.904 -1.753 -22.211 1.00 0.00 O ATOM 1333 CB GLU A 84 26.238 -1.028 -24.522 1.00 0.00 C ATOM 1334 CG GLU A 84 26.904 -1.795 -25.652 1.00 0.00 C ATOM 1335 CD GLU A 84 27.346 -0.893 -26.783 1.00 0.00 C ATOM 1336 OE1 GLU A 84 28.487 -0.392 -26.730 1.00 0.00 O ATOM 1337 OE2 GLU A 84 26.556 -0.681 -27.728 1.00 0.00 O ATOM 0 H GLU A 84 25.492 -0.834 -21.589 1.00 0.00 H new ATOM 0 HA GLU A 84 25.200 -2.733 -23.753 1.00 0.00 H new ATOM 0 HB2 GLU A 84 25.368 -0.502 -24.915 1.00 0.00 H new ATOM 0 HB3 GLU A 84 26.929 -0.270 -24.153 1.00 0.00 H new ATOM 0 HG2 GLU A 84 27.768 -2.333 -25.262 1.00 0.00 H new ATOM 0 HG3 GLU A 84 26.211 -2.542 -26.038 1.00 0.00 H new ATOM 1344 N ARG A 85 27.036 -3.807 -22.494 1.00 0.00 N ATOM 1345 CA ARG A 85 28.143 -4.489 -21.838 1.00 0.00 C ATOM 1346 C ARG A 85 29.099 -5.056 -22.880 1.00 0.00 C ATOM 1347 O ARG A 85 30.313 -5.095 -22.670 1.00 0.00 O ATOM 1348 CB ARG A 85 27.619 -5.614 -20.935 1.00 0.00 C ATOM 1349 CG ARG A 85 28.706 -6.488 -20.311 1.00 0.00 C ATOM 1350 CD ARG A 85 29.502 -5.763 -19.232 1.00 0.00 C ATOM 1351 NE ARG A 85 30.317 -4.670 -19.761 1.00 0.00 N ATOM 1352 CZ ARG A 85 31.049 -3.851 -19.002 1.00 0.00 C ATOM 1353 NH1 ARG A 85 31.155 -4.063 -17.697 1.00 0.00 N ATOM 1354 NH2 ARG A 85 31.708 -2.844 -19.560 1.00 0.00 N ATOM 0 H ARG A 85 26.296 -4.427 -22.823 1.00 0.00 H new ATOM 0 HA ARG A 85 28.679 -3.769 -21.220 1.00 0.00 H new ATOM 0 HB2 ARG A 85 27.023 -5.173 -20.136 1.00 0.00 H new ATOM 0 HB3 ARG A 85 26.951 -6.248 -21.518 1.00 0.00 H new ATOM 0 HG2 ARG A 85 28.247 -7.378 -19.881 1.00 0.00 H new ATOM 0 HG3 ARG A 85 29.387 -6.826 -21.092 1.00 0.00 H new ATOM 0 HD2 ARG A 85 28.814 -5.367 -18.485 1.00 0.00 H new ATOM 0 HD3 ARG A 85 30.149 -6.478 -18.723 1.00 0.00 H new ATOM 0 HE ARG A 85 30.327 -4.525 -20.771 1.00 0.00 H new ATOM 0 HH11 ARG A 85 30.676 -4.855 -17.268 1.00 0.00 H new ATOM 0 HH12 ARG A 85 31.716 -3.434 -17.122 1.00 0.00 H new ATOM 0 HH21 ARG A 85 31.655 -2.696 -20.568 1.00 0.00 H new ATOM 0 HH22 ARG A 85 32.268 -2.218 -18.981 1.00 0.00 H new ATOM 1368 N GLY A 86 28.543 -5.484 -24.001 1.00 0.00 N ATOM 1369 CA GLY A 86 29.349 -6.055 -25.056 1.00 0.00 C ATOM 1370 C GLY A 86 29.710 -7.495 -24.768 1.00 0.00 C ATOM 1371 O GLY A 86 30.767 -7.739 -24.150 1.00 0.00 O ATOM 1372 OXT GLY A 86 28.929 -8.394 -25.145 1.00 0.00 O ATOM 0 H GLY A 86 27.543 -5.446 -24.199 1.00 0.00 H new ATOM 0 HA2 GLY A 86 28.807 -5.998 -26.000 1.00 0.00 H new ATOM 0 HA3 GLY A 86 30.260 -5.469 -25.176 1.00 0.00 H new TER 1376 GLY A 86