USER MOD reduce.3.24.130724 H: found=0, std=0, add=650, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 648 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 68 HIS : no HD1:sc= -3.04 K(o=-5.4,f=-9.1!) USER MOD Set 1.2: A 72 HIS : no HE2:sc= -2.38 K(o=-5.4,f=-8.4!) USER MOD Set 2.1: A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 45 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 30 ASN : amide:sc= -3.94! C(o=-6.8!,f=-7!) USER MOD Set 3.2: A 41 MET CE :methyl -110:sc= -2.87 (180deg=-5.49!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.0156 USER MOD Single : A 12 MET CE :methyl 134:sc= -1.46 (180deg=-2.35) USER MOD Single : A 13 ASN : amide:sc= -3.49! C(o=-3.5!,f=-9.8!) USER MOD Single : A 16 MET CE :methyl 139:sc= -1.23 (180deg=-2.79!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 164:sc= -0.0104 (180deg=-0.165) USER MOD Single : A 28 GLN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 HIS : no HD1:sc= -4.85! C(o=-4.8!,f=-3.8!) USER MOD Single : A 35 ASN : amide:sc= -0.0439 K(o=-0.044,f=-2.6!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -0.473 X(o=-0.47,f=-0.84) USER MOD Single : A 69 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 GLN : amide:sc= -0.976 K(o=-0.98,f=-3.5!) USER MOD Single : A 74 ASN : amide:sc= -0.727 K(o=-0.73,f=0) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 9.385 -12.114 -6.115 1.00 0.00 N ATOM 2 CA GLY A 1 9.254 -10.982 -5.216 1.00 0.00 C ATOM 3 C GLY A 1 9.622 -9.670 -5.879 1.00 0.00 C ATOM 4 O GLY A 1 8.843 -8.717 -5.860 1.00 0.00 O ATOM 0 H1 GLY A 1 9.122 -12.987 -5.615 1.00 0.00 H new ATOM 0 H2 GLY A 1 8.757 -11.982 -6.934 1.00 0.00 H new ATOM 0 H3 GLY A 1 10.370 -12.186 -6.442 1.00 0.00 H new ATOM 0 HA2 GLY A 1 8.228 -10.927 -4.853 1.00 0.00 H new ATOM 0 HA3 GLY A 1 9.892 -11.137 -4.346 1.00 0.00 H new ATOM 8 N SER A 2 10.814 -9.619 -6.466 1.00 0.00 N ATOM 9 CA SER A 2 11.286 -8.411 -7.133 1.00 0.00 C ATOM 10 C SER A 2 11.634 -8.696 -8.591 1.00 0.00 C ATOM 11 O SER A 2 12.731 -9.162 -8.899 1.00 0.00 O ATOM 12 CB SER A 2 12.508 -7.846 -6.406 1.00 0.00 C ATOM 13 OG SER A 2 12.771 -6.514 -6.811 1.00 0.00 O ATOM 0 H SER A 2 11.470 -10.400 -6.493 1.00 0.00 H new ATOM 0 HA SER A 2 10.483 -7.674 -7.107 1.00 0.00 H new ATOM 0 HB2 SER A 2 12.341 -7.876 -5.329 1.00 0.00 H new ATOM 0 HB3 SER A 2 13.378 -8.470 -6.611 1.00 0.00 H new ATOM 0 HG SER A 2 13.555 -6.175 -6.331 1.00 0.00 H new ATOM 19 N SER A 3 10.691 -8.413 -9.484 1.00 0.00 N ATOM 20 CA SER A 3 10.896 -8.643 -10.909 1.00 0.00 C ATOM 21 C SER A 3 11.581 -7.445 -11.560 1.00 0.00 C ATOM 22 O SER A 3 10.924 -6.497 -11.988 1.00 0.00 O ATOM 23 CB SER A 3 9.558 -8.917 -11.600 1.00 0.00 C ATOM 24 OG SER A 3 8.999 -10.143 -11.161 1.00 0.00 O ATOM 0 H SER A 3 9.778 -8.024 -9.246 1.00 0.00 H new ATOM 0 HA SER A 3 11.541 -9.514 -11.022 1.00 0.00 H new ATOM 0 HB2 SER A 3 8.864 -8.102 -11.392 1.00 0.00 H new ATOM 0 HB3 SER A 3 9.702 -8.945 -12.680 1.00 0.00 H new ATOM 0 HG SER A 3 8.144 -10.294 -11.616 1.00 0.00 H new ATOM 30 N GLY A 4 12.908 -7.495 -11.629 1.00 0.00 N ATOM 31 CA GLY A 4 13.661 -6.409 -12.228 1.00 0.00 C ATOM 32 C GLY A 4 13.407 -5.081 -11.544 1.00 0.00 C ATOM 33 O GLY A 4 13.529 -4.970 -10.324 1.00 0.00 O ATOM 0 H GLY A 4 13.475 -8.268 -11.281 1.00 0.00 H new ATOM 0 HA2 GLY A 4 14.725 -6.640 -12.182 1.00 0.00 H new ATOM 0 HA3 GLY A 4 13.398 -6.327 -13.283 1.00 0.00 H new ATOM 37 N SER A 5 13.055 -4.069 -12.330 1.00 0.00 N ATOM 38 CA SER A 5 12.788 -2.740 -11.793 1.00 0.00 C ATOM 39 C SER A 5 11.830 -1.971 -12.697 1.00 0.00 C ATOM 40 O SER A 5 11.940 -2.019 -13.922 1.00 0.00 O ATOM 41 CB SER A 5 14.095 -1.960 -11.635 1.00 0.00 C ATOM 42 OG SER A 5 13.842 -0.592 -11.361 1.00 0.00 O ATOM 0 H SER A 5 12.948 -4.144 -13.342 1.00 0.00 H new ATOM 0 HA SER A 5 12.321 -2.857 -10.815 1.00 0.00 H new ATOM 0 HB2 SER A 5 14.685 -2.393 -10.827 1.00 0.00 H new ATOM 0 HB3 SER A 5 14.687 -2.048 -12.546 1.00 0.00 H new ATOM 0 HG SER A 5 14.693 -0.115 -11.263 1.00 0.00 H new ATOM 48 N SER A 6 10.888 -1.261 -12.082 1.00 0.00 N ATOM 49 CA SER A 6 9.907 -0.484 -12.830 1.00 0.00 C ATOM 50 C SER A 6 9.293 0.604 -11.954 1.00 0.00 C ATOM 51 O SER A 6 9.280 0.495 -10.728 1.00 0.00 O ATOM 52 CB SER A 6 8.807 -1.399 -13.372 1.00 0.00 C ATOM 53 OG SER A 6 7.811 -0.652 -14.051 1.00 0.00 O ATOM 0 H SER A 6 10.784 -1.208 -11.069 1.00 0.00 H new ATOM 0 HA SER A 6 10.419 -0.007 -13.666 1.00 0.00 H new ATOM 0 HB2 SER A 6 9.242 -2.133 -14.051 1.00 0.00 H new ATOM 0 HB3 SER A 6 8.353 -1.954 -12.551 1.00 0.00 H new ATOM 0 HG SER A 6 7.120 -1.259 -14.389 1.00 0.00 H new ATOM 59 N GLY A 7 8.786 1.654 -12.593 1.00 0.00 N ATOM 60 CA GLY A 7 8.178 2.747 -11.857 1.00 0.00 C ATOM 61 C GLY A 7 6.801 2.396 -11.329 1.00 0.00 C ATOM 62 O GLY A 7 6.592 1.304 -10.801 1.00 0.00 O ATOM 0 H GLY A 7 8.785 1.767 -13.607 1.00 0.00 H new ATOM 0 HA2 GLY A 7 8.824 3.023 -11.023 1.00 0.00 H new ATOM 0 HA3 GLY A 7 8.103 3.620 -12.505 1.00 0.00 H new ATOM 66 N ILE A 8 5.860 3.324 -11.471 1.00 0.00 N ATOM 67 CA ILE A 8 4.497 3.106 -11.004 1.00 0.00 C ATOM 68 C ILE A 8 3.482 3.459 -12.086 1.00 0.00 C ATOM 69 O ILE A 8 3.556 4.525 -12.697 1.00 0.00 O ATOM 70 CB ILE A 8 4.195 3.937 -9.743 1.00 0.00 C ATOM 71 CG1 ILE A 8 5.145 3.547 -8.609 1.00 0.00 C ATOM 72 CG2 ILE A 8 2.747 3.745 -9.317 1.00 0.00 C ATOM 73 CD1 ILE A 8 5.082 4.480 -7.420 1.00 0.00 C ATOM 0 H ILE A 8 6.017 4.233 -11.906 1.00 0.00 H new ATOM 0 HA ILE A 8 4.412 2.047 -10.761 1.00 0.00 H new ATOM 0 HB ILE A 8 4.349 4.991 -9.975 1.00 0.00 H new ATOM 0 HG12 ILE A 8 4.908 2.535 -8.280 1.00 0.00 H new ATOM 0 HG13 ILE A 8 6.166 3.527 -8.991 1.00 0.00 H new ATOM 0 HG21 ILE A 8 2.549 4.338 -8.425 1.00 0.00 H new ATOM 0 HG22 ILE A 8 2.085 4.067 -10.121 1.00 0.00 H new ATOM 0 HG23 ILE A 8 2.568 2.692 -9.100 1.00 0.00 H new ATOM 0 HD11 ILE A 8 5.781 4.142 -6.655 1.00 0.00 H new ATOM 0 HD12 ILE A 8 5.348 5.489 -7.735 1.00 0.00 H new ATOM 0 HD13 ILE A 8 4.071 4.482 -7.012 1.00 0.00 H new ATOM 85 N ARG A 9 2.534 2.556 -12.317 1.00 0.00 N ATOM 86 CA ARG A 9 1.504 2.772 -13.326 1.00 0.00 C ATOM 87 C ARG A 9 0.362 3.615 -12.765 1.00 0.00 C ATOM 88 O ARG A 9 0.129 4.738 -13.211 1.00 0.00 O ATOM 89 CB ARG A 9 0.963 1.432 -13.828 1.00 0.00 C ATOM 90 CG ARG A 9 0.488 1.469 -15.272 1.00 0.00 C ATOM 91 CD ARG A 9 -0.915 2.046 -15.381 1.00 0.00 C ATOM 92 NE ARG A 9 -1.366 2.128 -16.768 1.00 0.00 N ATOM 93 CZ ARG A 9 -0.928 3.037 -17.631 1.00 0.00 C ATOM 94 NH1 ARG A 9 -0.032 3.938 -17.253 1.00 0.00 N ATOM 95 NH2 ARG A 9 -1.387 3.047 -18.876 1.00 0.00 N ATOM 0 H ARG A 9 2.458 1.669 -11.819 1.00 0.00 H new ATOM 0 HA ARG A 9 1.955 3.310 -14.160 1.00 0.00 H new ATOM 0 HB2 ARG A 9 1.742 0.676 -13.730 1.00 0.00 H new ATOM 0 HB3 ARG A 9 0.135 1.122 -13.190 1.00 0.00 H new ATOM 0 HG2 ARG A 9 1.177 2.068 -15.868 1.00 0.00 H new ATOM 0 HG3 ARG A 9 0.502 0.461 -15.687 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -1.607 1.427 -14.811 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -0.934 3.040 -14.934 1.00 0.00 H new ATOM 0 HE ARG A 9 -2.055 1.449 -17.091 1.00 0.00 H new ATOM 0 HH11 ARG A 9 0.323 3.934 -16.297 1.00 0.00 H new ATOM 0 HH12 ARG A 9 0.302 4.635 -17.918 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -2.077 2.356 -19.171 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -1.050 3.746 -19.538 1.00 0.00 H new ATOM 109 N ARG A 10 -0.346 3.064 -11.784 1.00 0.00 N ATOM 110 CA ARG A 10 -1.464 3.764 -11.163 1.00 0.00 C ATOM 111 C ARG A 10 -1.167 4.072 -9.698 1.00 0.00 C ATOM 112 O ARG A 10 -0.419 3.360 -9.028 1.00 0.00 O ATOM 113 CB ARG A 10 -2.741 2.928 -11.271 1.00 0.00 C ATOM 114 CG ARG A 10 -3.066 2.493 -12.691 1.00 0.00 C ATOM 115 CD ARG A 10 -2.928 3.647 -13.672 1.00 0.00 C ATOM 116 NE ARG A 10 -3.913 4.696 -13.425 1.00 0.00 N ATOM 117 CZ ARG A 10 -5.202 4.580 -13.724 1.00 0.00 C ATOM 118 NH1 ARG A 10 -5.659 3.466 -14.279 1.00 0.00 N ATOM 119 NH2 ARG A 10 -6.036 5.579 -13.469 1.00 0.00 N ATOM 0 H ARG A 10 -0.165 2.135 -11.403 1.00 0.00 H new ATOM 0 HA ARG A 10 -1.609 4.706 -11.692 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -2.640 2.043 -10.643 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -3.577 3.505 -10.876 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -2.400 1.682 -12.986 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -4.082 2.101 -12.729 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -1.925 4.067 -13.599 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -3.044 3.274 -14.690 1.00 0.00 H new ATOM 0 HE ARG A 10 -3.594 5.566 -12.999 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -5.020 2.696 -14.477 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -6.649 3.379 -14.508 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -5.688 6.438 -13.043 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -7.026 5.489 -13.699 1.00 0.00 H new ATOM 133 N PRO A 11 -1.766 5.159 -9.189 1.00 0.00 N ATOM 134 CA PRO A 11 -1.581 5.586 -7.799 1.00 0.00 C ATOM 135 C PRO A 11 -2.243 4.635 -6.807 1.00 0.00 C ATOM 136 O PRO A 11 -2.948 3.706 -7.200 1.00 0.00 O ATOM 137 CB PRO A 11 -2.256 6.959 -7.756 1.00 0.00 C ATOM 138 CG PRO A 11 -3.264 6.919 -8.853 1.00 0.00 C ATOM 139 CD PRO A 11 -2.670 6.054 -9.930 1.00 0.00 C ATOM 0 HA PRO A 11 -0.529 5.605 -7.515 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -2.729 7.138 -6.790 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -1.534 7.761 -7.911 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -4.209 6.508 -8.499 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -3.473 7.921 -9.228 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -3.438 5.496 -10.466 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -2.132 6.646 -10.670 1.00 0.00 H new ATOM 147 N MET A 12 -2.012 4.875 -5.520 1.00 0.00 N ATOM 148 CA MET A 12 -2.589 4.040 -4.473 1.00 0.00 C ATOM 149 C MET A 12 -3.177 4.898 -3.357 1.00 0.00 C ATOM 150 O MET A 12 -2.628 5.942 -3.009 1.00 0.00 O ATOM 151 CB MET A 12 -1.528 3.097 -3.901 1.00 0.00 C ATOM 152 CG MET A 12 -0.463 2.698 -4.910 1.00 0.00 C ATOM 153 SD MET A 12 0.374 1.164 -4.466 1.00 0.00 S ATOM 154 CE MET A 12 1.051 1.598 -2.865 1.00 0.00 C ATOM 0 H MET A 12 -1.430 5.640 -5.178 1.00 0.00 H new ATOM 0 HA MET A 12 -3.391 3.448 -4.915 1.00 0.00 H new ATOM 0 HB2 MET A 12 -1.048 3.578 -3.049 1.00 0.00 H new ATOM 0 HB3 MET A 12 -2.017 2.198 -3.526 1.00 0.00 H new ATOM 0 HG2 MET A 12 -0.922 2.586 -5.892 1.00 0.00 H new ATOM 0 HG3 MET A 12 0.273 3.498 -4.992 1.00 0.00 H new ATOM 0 HE1 MET A 12 0.857 0.792 -2.157 1.00 0.00 H new ATOM 0 HE2 MET A 12 2.126 1.751 -2.954 1.00 0.00 H new ATOM 0 HE3 MET A 12 0.582 2.515 -2.508 1.00 0.00 H new ATOM 164 N ASN A 13 -4.297 4.449 -2.800 1.00 0.00 N ATOM 165 CA ASN A 13 -4.961 5.176 -1.724 1.00 0.00 C ATOM 166 C ASN A 13 -4.543 4.631 -0.361 1.00 0.00 C ATOM 167 O ASN A 13 -3.674 3.765 -0.267 1.00 0.00 O ATOM 168 CB ASN A 13 -6.480 5.084 -1.879 1.00 0.00 C ATOM 169 CG ASN A 13 -7.031 3.755 -1.399 1.00 0.00 C ATOM 170 OD1 ASN A 13 -7.645 3.672 -0.336 1.00 0.00 O ATOM 171 ND2 ASN A 13 -6.811 2.706 -2.184 1.00 0.00 N ATOM 0 H ASN A 13 -4.764 3.585 -3.076 1.00 0.00 H new ATOM 0 HA ASN A 13 -4.660 6.222 -1.786 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -6.949 5.892 -1.318 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -6.745 5.227 -2.927 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -7.156 1.785 -1.913 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -6.297 2.821 -3.057 1.00 0.00 H new ATOM 178 N ALA A 14 -5.170 5.145 0.692 1.00 0.00 N ATOM 179 CA ALA A 14 -4.866 4.708 2.050 1.00 0.00 C ATOM 180 C ALA A 14 -5.020 3.198 2.188 1.00 0.00 C ATOM 181 O ALA A 14 -4.150 2.522 2.738 1.00 0.00 O ATOM 182 CB ALA A 14 -5.761 5.427 3.048 1.00 0.00 C ATOM 0 H ALA A 14 -5.891 5.864 0.631 1.00 0.00 H new ATOM 0 HA ALA A 14 -3.827 4.961 2.263 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -5.523 5.091 4.057 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -5.597 6.502 2.975 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -6.805 5.203 2.828 1.00 0.00 H new ATOM 188 N PHE A 15 -6.134 2.673 1.687 1.00 0.00 N ATOM 189 CA PHE A 15 -6.403 1.242 1.756 1.00 0.00 C ATOM 190 C PHE A 15 -5.347 0.452 0.989 1.00 0.00 C ATOM 191 O PHE A 15 -4.756 -0.490 1.517 1.00 0.00 O ATOM 192 CB PHE A 15 -7.793 0.935 1.195 1.00 0.00 C ATOM 193 CG PHE A 15 -8.005 -0.517 0.877 1.00 0.00 C ATOM 194 CD1 PHE A 15 -8.393 -1.407 1.866 1.00 0.00 C ATOM 195 CD2 PHE A 15 -7.815 -0.993 -0.410 1.00 0.00 C ATOM 196 CE1 PHE A 15 -8.588 -2.745 1.577 1.00 0.00 C ATOM 197 CE2 PHE A 15 -8.009 -2.329 -0.705 1.00 0.00 C ATOM 198 CZ PHE A 15 -8.395 -3.206 0.290 1.00 0.00 C ATOM 0 H PHE A 15 -6.865 3.218 1.229 1.00 0.00 H new ATOM 0 HA PHE A 15 -6.367 0.941 2.803 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -8.545 1.254 1.916 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -7.949 1.523 0.291 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -8.545 -1.051 2.874 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -7.512 -0.312 -1.192 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -8.891 -3.428 2.357 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -7.859 -2.687 -1.713 1.00 0.00 H new ATOM 0 HZ PHE A 15 -8.546 -4.251 0.062 1.00 0.00 H new ATOM 208 N MET A 16 -5.116 0.842 -0.260 1.00 0.00 N ATOM 209 CA MET A 16 -4.131 0.171 -1.101 1.00 0.00 C ATOM 210 C MET A 16 -2.754 0.193 -0.446 1.00 0.00 C ATOM 211 O MET A 16 -2.166 -0.855 -0.178 1.00 0.00 O ATOM 212 CB MET A 16 -4.066 0.836 -2.477 1.00 0.00 C ATOM 213 CG MET A 16 -5.129 0.339 -3.443 1.00 0.00 C ATOM 214 SD MET A 16 -4.648 0.543 -5.169 1.00 0.00 S ATOM 215 CE MET A 16 -3.023 -0.209 -5.160 1.00 0.00 C ATOM 0 H MET A 16 -5.597 1.619 -0.712 1.00 0.00 H new ATOM 0 HA MET A 16 -4.440 -0.867 -1.223 1.00 0.00 H new ATOM 0 HB2 MET A 16 -4.172 1.914 -2.356 1.00 0.00 H new ATOM 0 HB3 MET A 16 -3.082 0.660 -2.911 1.00 0.00 H new ATOM 0 HG2 MET A 16 -5.328 -0.715 -3.247 1.00 0.00 H new ATOM 0 HG3 MET A 16 -6.059 0.878 -3.263 1.00 0.00 H new ATOM 0 HE1 MET A 16 -2.894 -0.807 -6.062 1.00 0.00 H new ATOM 0 HE2 MET A 16 -2.262 0.570 -5.129 1.00 0.00 H new ATOM 0 HE3 MET A 16 -2.923 -0.849 -4.283 1.00 0.00 H new ATOM 225 N VAL A 17 -2.243 1.394 -0.193 1.00 0.00 N ATOM 226 CA VAL A 17 -0.934 1.551 0.431 1.00 0.00 C ATOM 227 C VAL A 17 -0.750 0.566 1.579 1.00 0.00 C ATOM 228 O VAL A 17 0.062 -0.355 1.495 1.00 0.00 O ATOM 229 CB VAL A 17 -0.734 2.984 0.961 1.00 0.00 C ATOM 230 CG1 VAL A 17 0.632 3.125 1.615 1.00 0.00 C ATOM 231 CG2 VAL A 17 -0.904 3.996 -0.162 1.00 0.00 C ATOM 0 H VAL A 17 -2.715 2.272 -0.410 1.00 0.00 H new ATOM 0 HA VAL A 17 -0.190 1.349 -0.339 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.494 3.183 1.716 1.00 0.00 H new ATOM 0 HG11 VAL A 17 0.756 4.143 1.983 1.00 0.00 H new ATOM 0 HG12 VAL A 17 0.711 2.426 2.448 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.410 2.907 0.883 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -0.759 5.003 0.230 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -0.168 3.801 -0.942 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.907 3.910 -0.580 1.00 0.00 H new ATOM 241 N TRP A 18 -1.510 0.765 2.650 1.00 0.00 N ATOM 242 CA TRP A 18 -1.431 -0.107 3.816 1.00 0.00 C ATOM 243 C TRP A 18 -1.539 -1.572 3.408 1.00 0.00 C ATOM 244 O TRP A 18 -0.930 -2.445 4.027 1.00 0.00 O ATOM 245 CB TRP A 18 -2.536 0.241 4.814 1.00 0.00 C ATOM 246 CG TRP A 18 -2.920 -0.907 5.699 1.00 0.00 C ATOM 247 CD1 TRP A 18 -2.483 -1.142 6.971 1.00 0.00 C ATOM 248 CD2 TRP A 18 -3.817 -1.975 5.377 1.00 0.00 C ATOM 249 NE1 TRP A 18 -3.054 -2.293 7.459 1.00 0.00 N ATOM 250 CE2 TRP A 18 -3.877 -2.822 6.500 1.00 0.00 C ATOM 251 CE3 TRP A 18 -4.577 -2.297 4.249 1.00 0.00 C ATOM 252 CZ2 TRP A 18 -4.666 -3.969 6.526 1.00 0.00 C ATOM 253 CZ3 TRP A 18 -5.359 -3.436 4.276 1.00 0.00 C ATOM 254 CH2 TRP A 18 -5.399 -4.261 5.408 1.00 0.00 C ATOM 0 H TRP A 18 -2.188 1.522 2.735 1.00 0.00 H new ATOM 0 HA TRP A 18 -0.462 0.048 4.290 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -2.206 1.074 5.434 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -3.416 0.579 4.267 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -1.791 -0.516 7.514 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -2.891 -2.689 8.385 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -4.553 -1.667 3.372 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -4.698 -4.606 7.398 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -5.950 -3.695 3.410 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -6.020 -5.144 5.398 1.00 0.00 H new ATOM 265 N ALA A 19 -2.318 -1.835 2.364 1.00 0.00 N ATOM 266 CA ALA A 19 -2.503 -3.195 1.873 1.00 0.00 C ATOM 267 C ALA A 19 -1.229 -3.722 1.222 1.00 0.00 C ATOM 268 O ALA A 19 -0.943 -4.919 1.272 1.00 0.00 O ATOM 269 CB ALA A 19 -3.661 -3.247 0.888 1.00 0.00 C ATOM 0 H ALA A 19 -2.831 -1.124 1.842 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.735 -3.834 2.725 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.788 -4.268 0.529 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -4.575 -2.920 1.384 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -3.451 -2.590 0.044 1.00 0.00 H new ATOM 275 N LYS A 20 -0.466 -2.822 0.611 1.00 0.00 N ATOM 276 CA LYS A 20 0.779 -3.196 -0.049 1.00 0.00 C ATOM 277 C LYS A 20 1.608 -4.122 0.835 1.00 0.00 C ATOM 278 O LYS A 20 2.429 -4.896 0.342 1.00 0.00 O ATOM 279 CB LYS A 20 1.590 -1.946 -0.399 1.00 0.00 C ATOM 280 CG LYS A 20 2.470 -1.455 0.738 1.00 0.00 C ATOM 281 CD LYS A 20 2.729 0.039 0.637 1.00 0.00 C ATOM 282 CE LYS A 20 3.738 0.357 -0.456 1.00 0.00 C ATOM 283 NZ LYS A 20 4.444 1.643 -0.201 1.00 0.00 N ATOM 0 H LYS A 20 -0.688 -1.828 0.559 1.00 0.00 H new ATOM 0 HA LYS A 20 0.528 -3.728 -0.967 1.00 0.00 H new ATOM 0 HB2 LYS A 20 2.216 -2.160 -1.266 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.906 -1.148 -0.689 1.00 0.00 H new ATOM 0 HG2 LYS A 20 1.992 -1.679 1.692 1.00 0.00 H new ATOM 0 HG3 LYS A 20 3.419 -1.992 0.723 1.00 0.00 H new ATOM 0 HD2 LYS A 20 1.793 0.559 0.432 1.00 0.00 H new ATOM 0 HD3 LYS A 20 3.097 0.411 1.593 1.00 0.00 H new ATOM 0 HE2 LYS A 20 4.467 -0.450 -0.524 1.00 0.00 H new ATOM 0 HE3 LYS A 20 3.228 0.407 -1.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 5.123 1.824 -0.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 3.751 2.418 -0.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 4.952 1.587 0.705 1.00 0.00 H new ATOM 297 N ASP A 21 1.386 -4.039 2.142 1.00 0.00 N ATOM 298 CA ASP A 21 2.110 -4.872 3.095 1.00 0.00 C ATOM 299 C ASP A 21 1.326 -6.141 3.415 1.00 0.00 C ATOM 300 O ASP A 21 1.866 -7.245 3.361 1.00 0.00 O ATOM 301 CB ASP A 21 2.386 -4.091 4.381 1.00 0.00 C ATOM 302 CG ASP A 21 3.494 -4.711 5.209 1.00 0.00 C ATOM 303 OD1 ASP A 21 3.241 -5.748 5.857 1.00 0.00 O ATOM 304 OD2 ASP A 21 4.615 -4.160 5.208 1.00 0.00 O ATOM 0 H ASP A 21 0.710 -3.403 2.566 1.00 0.00 H new ATOM 0 HA ASP A 21 3.059 -5.158 2.641 1.00 0.00 H new ATOM 0 HB2 ASP A 21 2.655 -3.065 4.129 1.00 0.00 H new ATOM 0 HB3 ASP A 21 1.474 -4.044 4.977 1.00 0.00 H new ATOM 309 N GLU A 22 0.050 -5.973 3.747 1.00 0.00 N ATOM 310 CA GLU A 22 -0.808 -7.106 4.077 1.00 0.00 C ATOM 311 C GLU A 22 -0.942 -8.051 2.887 1.00 0.00 C ATOM 312 O GLU A 22 -0.658 -9.245 2.994 1.00 0.00 O ATOM 313 CB GLU A 22 -2.191 -6.617 4.513 1.00 0.00 C ATOM 314 CG GLU A 22 -2.195 -5.931 5.869 1.00 0.00 C ATOM 315 CD GLU A 22 -1.486 -6.743 6.935 1.00 0.00 C ATOM 316 OE1 GLU A 22 -1.756 -7.959 7.033 1.00 0.00 O ATOM 317 OE2 GLU A 22 -0.662 -6.163 7.672 1.00 0.00 O ATOM 0 H GLU A 22 -0.412 -5.065 3.795 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.347 -7.650 4.901 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.575 -5.925 3.764 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -2.874 -7.466 4.543 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -1.715 -4.956 5.780 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.225 -5.752 6.179 1.00 0.00 H new ATOM 324 N ARG A 23 -1.377 -7.509 1.754 1.00 0.00 N ATOM 325 CA ARG A 23 -1.551 -8.304 0.545 1.00 0.00 C ATOM 326 C ARG A 23 -0.442 -9.344 0.413 1.00 0.00 C ATOM 327 O ARG A 23 -0.708 -10.532 0.232 1.00 0.00 O ATOM 328 CB ARG A 23 -1.565 -7.398 -0.688 1.00 0.00 C ATOM 329 CG ARG A 23 -1.945 -8.121 -1.970 1.00 0.00 C ATOM 330 CD ARG A 23 -1.281 -7.489 -3.184 1.00 0.00 C ATOM 331 NE ARG A 23 0.038 -8.059 -3.445 1.00 0.00 N ATOM 332 CZ ARG A 23 0.976 -7.446 -4.158 1.00 0.00 C ATOM 333 NH1 ARG A 23 0.741 -6.248 -4.677 1.00 0.00 N ATOM 334 NH2 ARG A 23 2.152 -8.029 -4.352 1.00 0.00 N ATOM 0 H ARG A 23 -1.615 -6.523 1.648 1.00 0.00 H new ATOM 0 HA ARG A 23 -2.506 -8.824 0.617 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -2.266 -6.581 -0.520 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -0.579 -6.951 -0.811 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -1.653 -9.169 -1.898 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -3.028 -8.100 -2.094 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -1.916 -7.629 -4.059 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -1.187 -6.414 -3.027 1.00 0.00 H new ATOM 0 HE ARG A 23 0.251 -8.979 -3.058 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -0.161 -5.796 -4.529 1.00 0.00 H new ATOM 0 HH12 ARG A 23 1.463 -5.779 -5.224 1.00 0.00 H new ATOM 0 HH21 ARG A 23 2.337 -8.949 -3.953 1.00 0.00 H new ATOM 0 HH22 ARG A 23 2.871 -7.557 -4.900 1.00 0.00 H new ATOM 348 N LYS A 24 0.803 -8.888 0.504 1.00 0.00 N ATOM 349 CA LYS A 24 1.953 -9.777 0.396 1.00 0.00 C ATOM 350 C LYS A 24 1.728 -11.057 1.193 1.00 0.00 C ATOM 351 O LYS A 24 1.996 -12.157 0.709 1.00 0.00 O ATOM 352 CB LYS A 24 3.218 -9.071 0.891 1.00 0.00 C ATOM 353 CG LYS A 24 3.655 -7.916 0.006 1.00 0.00 C ATOM 354 CD LYS A 24 5.163 -7.730 0.037 1.00 0.00 C ATOM 355 CE LYS A 24 5.869 -8.765 -0.825 1.00 0.00 C ATOM 356 NZ LYS A 24 5.657 -8.516 -2.278 1.00 0.00 N ATOM 0 H LYS A 24 1.041 -7.907 0.652 1.00 0.00 H new ATOM 0 HA LYS A 24 2.079 -10.041 -0.654 1.00 0.00 H new ATOM 0 HB2 LYS A 24 3.045 -8.699 1.901 1.00 0.00 H new ATOM 0 HB3 LYS A 24 4.029 -9.797 0.953 1.00 0.00 H new ATOM 0 HG2 LYS A 24 3.331 -8.099 -1.019 1.00 0.00 H new ATOM 0 HG3 LYS A 24 3.167 -6.999 0.336 1.00 0.00 H new ATOM 0 HD2 LYS A 24 5.415 -6.729 -0.314 1.00 0.00 H new ATOM 0 HD3 LYS A 24 5.519 -7.806 1.064 1.00 0.00 H new ATOM 0 HE2 LYS A 24 6.937 -8.752 -0.607 1.00 0.00 H new ATOM 0 HE3 LYS A 24 5.504 -9.760 -0.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 6.354 -9.057 -2.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 4.697 -8.815 -2.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 5.771 -7.502 -2.477 1.00 0.00 H new ATOM 370 N ARG A 25 1.233 -10.907 2.418 1.00 0.00 N ATOM 371 CA ARG A 25 0.972 -12.052 3.282 1.00 0.00 C ATOM 372 C ARG A 25 -0.148 -12.918 2.713 1.00 0.00 C ATOM 373 O ARG A 25 -0.136 -14.142 2.858 1.00 0.00 O ATOM 374 CB ARG A 25 0.603 -11.582 4.690 1.00 0.00 C ATOM 375 CG ARG A 25 -0.892 -11.397 4.898 1.00 0.00 C ATOM 376 CD ARG A 25 -1.181 -10.341 5.954 1.00 0.00 C ATOM 377 NE ARG A 25 -1.287 -10.919 7.291 1.00 0.00 N ATOM 378 CZ ARG A 25 -0.242 -11.140 8.081 1.00 0.00 C ATOM 379 NH1 ARG A 25 0.981 -10.833 7.670 1.00 0.00 N ATOM 380 NH2 ARG A 25 -0.419 -11.669 9.285 1.00 0.00 N ATOM 0 H ARG A 25 1.005 -10.004 2.834 1.00 0.00 H new ATOM 0 HA ARG A 25 1.881 -12.651 3.333 1.00 0.00 H new ATOM 0 HB2 ARG A 25 0.975 -12.306 5.415 1.00 0.00 H new ATOM 0 HB3 ARG A 25 1.109 -10.638 4.893 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -1.359 -11.108 3.956 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -1.339 -12.345 5.198 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -0.389 -9.592 5.944 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -2.109 -9.826 5.707 1.00 0.00 H new ATOM 0 HE ARG A 25 -2.214 -11.167 7.637 1.00 0.00 H new ATOM 0 HH11 ARG A 25 1.121 -10.426 6.745 1.00 0.00 H new ATOM 0 HH12 ARG A 25 1.781 -11.004 8.279 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -1.358 -11.906 9.605 1.00 0.00 H new ATOM 0 HH22 ARG A 25 0.384 -11.838 9.891 1.00 0.00 H new ATOM 394 N LEU A 26 -1.115 -12.276 2.067 1.00 0.00 N ATOM 395 CA LEU A 26 -2.244 -12.987 1.476 1.00 0.00 C ATOM 396 C LEU A 26 -1.789 -13.857 0.309 1.00 0.00 C ATOM 397 O LEU A 26 -2.208 -15.007 0.178 1.00 0.00 O ATOM 398 CB LEU A 26 -3.306 -11.994 1.003 1.00 0.00 C ATOM 399 CG LEU A 26 -3.799 -10.991 2.046 1.00 0.00 C ATOM 400 CD1 LEU A 26 -4.988 -10.207 1.513 1.00 0.00 C ATOM 401 CD2 LEU A 26 -4.165 -11.703 3.340 1.00 0.00 C ATOM 0 H LEU A 26 -1.140 -11.264 1.939 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.675 -13.633 2.240 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -2.904 -11.439 0.156 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.164 -12.558 0.636 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.992 -10.289 2.256 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -5.325 -9.498 2.269 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.693 -9.666 0.614 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -5.799 -10.894 1.273 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.514 -10.973 4.071 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -4.955 -12.428 3.145 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -3.288 -12.219 3.732 1.00 0.00 H new ATOM 413 N ALA A 27 -0.926 -13.302 -0.535 1.00 0.00 N ATOM 414 CA ALA A 27 -0.410 -14.028 -1.689 1.00 0.00 C ATOM 415 C ALA A 27 0.224 -15.349 -1.267 1.00 0.00 C ATOM 416 O ALA A 27 -0.117 -16.408 -1.795 1.00 0.00 O ATOM 417 CB ALA A 27 0.598 -13.174 -2.443 1.00 0.00 C ATOM 0 H ALA A 27 -0.569 -12.351 -0.441 1.00 0.00 H new ATOM 0 HA ALA A 27 -1.247 -14.251 -2.351 1.00 0.00 H new ATOM 0 HB1 ALA A 27 0.975 -13.729 -3.302 1.00 0.00 H new ATOM 0 HB2 ALA A 27 0.115 -12.259 -2.786 1.00 0.00 H new ATOM 0 HB3 ALA A 27 1.427 -12.921 -1.782 1.00 0.00 H new ATOM 423 N GLN A 28 1.148 -15.279 -0.314 1.00 0.00 N ATOM 424 CA GLN A 28 1.830 -16.471 0.176 1.00 0.00 C ATOM 425 C GLN A 28 0.845 -17.429 0.838 1.00 0.00 C ATOM 426 O GLN A 28 0.962 -18.646 0.700 1.00 0.00 O ATOM 427 CB GLN A 28 2.928 -16.084 1.169 1.00 0.00 C ATOM 428 CG GLN A 28 2.415 -15.308 2.371 1.00 0.00 C ATOM 429 CD GLN A 28 3.363 -15.368 3.552 1.00 0.00 C ATOM 430 OE1 GLN A 28 4.505 -15.810 3.425 1.00 0.00 O ATOM 431 NE2 GLN A 28 2.894 -14.922 4.712 1.00 0.00 N ATOM 0 H GLN A 28 1.441 -14.411 0.134 1.00 0.00 H new ATOM 0 HA GLN A 28 2.282 -16.976 -0.677 1.00 0.00 H new ATOM 0 HB2 GLN A 28 3.427 -16.988 1.517 1.00 0.00 H new ATOM 0 HB3 GLN A 28 3.678 -15.485 0.653 1.00 0.00 H new ATOM 0 HG2 GLN A 28 2.260 -14.267 2.087 1.00 0.00 H new ATOM 0 HG3 GLN A 28 1.445 -15.706 2.668 1.00 0.00 H new ATOM 0 HE21 GLN A 28 1.941 -14.564 4.773 1.00 0.00 H new ATOM 0 HE22 GLN A 28 3.487 -14.938 5.542 1.00 0.00 H new ATOM 440 N GLN A 29 -0.124 -16.870 1.556 1.00 0.00 N ATOM 441 CA GLN A 29 -1.128 -17.676 2.240 1.00 0.00 C ATOM 442 C GLN A 29 -2.080 -18.323 1.240 1.00 0.00 C ATOM 443 O GLN A 29 -2.587 -19.420 1.471 1.00 0.00 O ATOM 444 CB GLN A 29 -1.917 -16.815 3.229 1.00 0.00 C ATOM 445 CG GLN A 29 -1.315 -16.787 4.625 1.00 0.00 C ATOM 446 CD GLN A 29 -2.359 -16.587 5.706 1.00 0.00 C ATOM 447 OE1 GLN A 29 -2.659 -17.503 6.473 1.00 0.00 O ATOM 448 NE2 GLN A 29 -2.920 -15.385 5.773 1.00 0.00 N ATOM 0 H GLN A 29 -0.235 -15.864 1.679 1.00 0.00 H new ATOM 0 HA GLN A 29 -0.613 -18.465 2.787 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -1.974 -15.796 2.846 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -2.939 -17.190 3.290 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -0.784 -17.721 4.806 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -0.579 -15.985 4.683 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -2.641 -14.655 5.117 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -3.629 -15.192 6.480 1.00 0.00 H new ATOM 457 N ASN A 30 -2.319 -17.636 0.128 1.00 0.00 N ATOM 458 CA ASN A 30 -3.212 -18.144 -0.908 1.00 0.00 C ATOM 459 C ASN A 30 -2.578 -18.003 -2.289 1.00 0.00 C ATOM 460 O ASN A 30 -2.855 -17.061 -3.033 1.00 0.00 O ATOM 461 CB ASN A 30 -4.548 -17.399 -0.869 1.00 0.00 C ATOM 462 CG ASN A 30 -5.237 -17.519 0.476 1.00 0.00 C ATOM 463 OD1 ASN A 30 -5.613 -18.613 0.898 1.00 0.00 O ATOM 464 ND2 ASN A 30 -5.407 -16.391 1.156 1.00 0.00 N ATOM 0 H ASN A 30 -1.907 -16.726 -0.079 1.00 0.00 H new ATOM 0 HA ASN A 30 -3.388 -19.202 -0.715 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -4.381 -16.346 -1.096 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -5.203 -17.792 -1.646 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -5.865 -16.409 2.067 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -5.079 -15.507 0.767 1.00 0.00 H new ATOM 471 N PRO A 31 -1.708 -18.960 -2.641 1.00 0.00 N ATOM 472 CA PRO A 31 -1.018 -18.966 -3.935 1.00 0.00 C ATOM 473 C PRO A 31 -1.963 -19.262 -5.094 1.00 0.00 C ATOM 474 O PRO A 31 -1.568 -19.206 -6.259 1.00 0.00 O ATOM 475 CB PRO A 31 0.010 -20.090 -3.783 1.00 0.00 C ATOM 476 CG PRO A 31 -0.568 -20.996 -2.752 1.00 0.00 C ATOM 477 CD PRO A 31 -1.331 -20.112 -1.804 1.00 0.00 C ATOM 0 HA PRO A 31 -0.578 -17.996 -4.167 1.00 0.00 H new ATOM 0 HB2 PRO A 31 0.167 -20.613 -4.726 1.00 0.00 H new ATOM 0 HB3 PRO A 31 0.979 -19.701 -3.470 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -1.224 -21.737 -3.208 1.00 0.00 H new ATOM 0 HG3 PRO A 31 0.217 -21.543 -2.229 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -2.207 -20.619 -1.399 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -0.718 -19.809 -0.955 1.00 0.00 H new ATOM 485 N ASP A 32 -3.212 -19.575 -4.769 1.00 0.00 N ATOM 486 CA ASP A 32 -4.214 -19.878 -5.784 1.00 0.00 C ATOM 487 C ASP A 32 -5.234 -18.749 -5.894 1.00 0.00 C ATOM 488 O ASP A 32 -5.947 -18.637 -6.892 1.00 0.00 O ATOM 489 CB ASP A 32 -4.923 -21.192 -5.455 1.00 0.00 C ATOM 490 CG ASP A 32 -5.566 -21.824 -6.674 1.00 0.00 C ATOM 491 OD1 ASP A 32 -4.848 -22.499 -7.441 1.00 0.00 O ATOM 492 OD2 ASP A 32 -6.788 -21.642 -6.862 1.00 0.00 O ATOM 0 H ASP A 32 -3.555 -19.626 -3.810 1.00 0.00 H new ATOM 0 HA ASP A 32 -3.705 -19.979 -6.743 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -4.206 -21.890 -5.023 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -5.686 -21.010 -4.698 1.00 0.00 H new ATOM 497 N LEU A 33 -5.300 -17.915 -4.862 1.00 0.00 N ATOM 498 CA LEU A 33 -6.233 -16.794 -4.842 1.00 0.00 C ATOM 499 C LEU A 33 -5.643 -15.580 -5.553 1.00 0.00 C ATOM 500 O LEU A 33 -4.424 -15.436 -5.648 1.00 0.00 O ATOM 501 CB LEU A 33 -6.593 -16.430 -3.400 1.00 0.00 C ATOM 502 CG LEU A 33 -7.448 -17.449 -2.644 1.00 0.00 C ATOM 503 CD1 LEU A 33 -7.793 -16.930 -1.257 1.00 0.00 C ATOM 504 CD2 LEU A 33 -8.713 -17.769 -3.427 1.00 0.00 C ATOM 0 H LEU A 33 -4.718 -17.994 -4.028 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.137 -17.097 -5.371 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.668 -16.277 -2.843 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.122 -15.477 -3.408 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.872 -18.368 -2.533 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -8.401 -17.667 -0.733 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.875 -16.753 -0.696 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -8.350 -15.997 -1.346 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -9.309 -18.495 -2.874 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -9.293 -16.857 -3.570 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -8.444 -18.184 -4.398 1.00 0.00 H new ATOM 516 N HIS A 34 -6.516 -14.709 -6.048 1.00 0.00 N ATOM 517 CA HIS A 34 -6.081 -13.505 -6.748 1.00 0.00 C ATOM 518 C HIS A 34 -6.542 -12.252 -6.010 1.00 0.00 C ATOM 519 O HIS A 34 -7.304 -12.331 -5.048 1.00 0.00 O ATOM 520 CB HIS A 34 -6.622 -13.497 -8.178 1.00 0.00 C ATOM 521 CG HIS A 34 -8.100 -13.730 -8.261 1.00 0.00 C ATOM 522 ND1 HIS A 34 -9.017 -12.708 -8.378 1.00 0.00 N ATOM 523 CD2 HIS A 34 -8.817 -14.878 -8.244 1.00 0.00 C ATOM 524 CE1 HIS A 34 -10.236 -13.216 -8.428 1.00 0.00 C ATOM 525 NE2 HIS A 34 -10.142 -14.531 -8.349 1.00 0.00 N ATOM 0 H HIS A 34 -7.528 -14.814 -5.978 1.00 0.00 H new ATOM 0 HA HIS A 34 -4.991 -13.507 -6.780 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -6.387 -12.539 -8.641 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -6.108 -14.265 -8.756 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -8.421 -15.880 -8.163 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -11.153 -12.652 -8.518 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -10.926 -15.183 -8.364 1.00 0.00 H new ATOM 534 N ASN A 35 -6.073 -11.095 -6.468 1.00 0.00 N ATOM 535 CA ASN A 35 -6.436 -9.825 -5.851 1.00 0.00 C ATOM 536 C ASN A 35 -7.872 -9.860 -5.338 1.00 0.00 C ATOM 537 O ASN A 35 -8.111 -9.871 -4.131 1.00 0.00 O ATOM 538 CB ASN A 35 -6.267 -8.681 -6.852 1.00 0.00 C ATOM 539 CG ASN A 35 -4.821 -8.478 -7.261 1.00 0.00 C ATOM 540 OD1 ASN A 35 -3.963 -9.316 -6.984 1.00 0.00 O ATOM 541 ND2 ASN A 35 -4.544 -7.361 -7.924 1.00 0.00 N ATOM 0 H ASN A 35 -5.441 -11.012 -7.264 1.00 0.00 H new ATOM 0 HA ASN A 35 -5.771 -9.658 -5.004 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -6.867 -8.886 -7.739 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -6.650 -7.759 -6.414 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -3.588 -7.170 -8.225 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -5.287 -6.694 -8.132 1.00 0.00 H new ATOM 548 N ALA A 36 -8.825 -9.878 -6.265 1.00 0.00 N ATOM 549 CA ALA A 36 -10.237 -9.914 -5.908 1.00 0.00 C ATOM 550 C ALA A 36 -10.460 -10.717 -4.630 1.00 0.00 C ATOM 551 O ALA A 36 -11.291 -10.356 -3.797 1.00 0.00 O ATOM 552 CB ALA A 36 -11.056 -10.499 -7.050 1.00 0.00 C ATOM 0 H ALA A 36 -8.644 -9.868 -7.269 1.00 0.00 H new ATOM 0 HA ALA A 36 -10.566 -8.891 -5.726 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -12.109 -10.520 -6.769 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -10.930 -9.883 -7.941 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -10.716 -11.513 -7.259 1.00 0.00 H new ATOM 558 N GLU A 37 -9.713 -11.807 -4.484 1.00 0.00 N ATOM 559 CA GLU A 37 -9.831 -12.661 -3.308 1.00 0.00 C ATOM 560 C GLU A 37 -9.080 -12.061 -2.122 1.00 0.00 C ATOM 561 O GLU A 37 -9.579 -12.052 -0.996 1.00 0.00 O ATOM 562 CB GLU A 37 -9.295 -14.061 -3.611 1.00 0.00 C ATOM 563 CG GLU A 37 -10.130 -14.828 -4.622 1.00 0.00 C ATOM 564 CD GLU A 37 -11.208 -15.670 -3.969 1.00 0.00 C ATOM 565 OE1 GLU A 37 -11.922 -15.143 -3.090 1.00 0.00 O ATOM 566 OE2 GLU A 37 -11.338 -16.857 -4.335 1.00 0.00 O ATOM 0 H GLU A 37 -9.020 -12.119 -5.165 1.00 0.00 H new ATOM 0 HA GLU A 37 -10.887 -12.733 -3.048 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -8.275 -13.977 -3.985 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -9.249 -14.632 -2.683 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -10.593 -14.124 -5.314 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -9.478 -15.473 -5.212 1.00 0.00 H new ATOM 573 N LEU A 38 -7.877 -11.562 -2.384 1.00 0.00 N ATOM 574 CA LEU A 38 -7.054 -10.961 -1.340 1.00 0.00 C ATOM 575 C LEU A 38 -7.751 -9.750 -0.728 1.00 0.00 C ATOM 576 O LEU A 38 -7.821 -9.613 0.494 1.00 0.00 O ATOM 577 CB LEU A 38 -5.695 -10.549 -1.907 1.00 0.00 C ATOM 578 CG LEU A 38 -5.047 -11.535 -2.880 1.00 0.00 C ATOM 579 CD1 LEU A 38 -3.698 -11.013 -3.350 1.00 0.00 C ATOM 580 CD2 LEU A 38 -4.894 -12.903 -2.230 1.00 0.00 C ATOM 0 H LEU A 38 -7.450 -11.562 -3.310 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.903 -11.705 -0.558 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -5.811 -9.591 -2.415 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.010 -10.388 -1.075 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.697 -11.638 -3.749 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -3.252 -11.728 -4.042 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.834 -10.056 -3.855 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.040 -10.880 -2.491 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.431 -13.592 -2.937 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -4.266 -12.816 -1.343 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -5.875 -13.282 -1.944 1.00 0.00 H new ATOM 592 N SER A 39 -8.266 -8.874 -1.585 1.00 0.00 N ATOM 593 CA SER A 39 -8.956 -7.673 -1.129 1.00 0.00 C ATOM 594 C SER A 39 -9.809 -7.971 0.101 1.00 0.00 C ATOM 595 O SER A 39 -9.550 -7.457 1.190 1.00 0.00 O ATOM 596 CB SER A 39 -9.833 -7.108 -2.247 1.00 0.00 C ATOM 597 OG SER A 39 -9.892 -5.693 -2.184 1.00 0.00 O ATOM 0 H SER A 39 -8.218 -8.974 -2.599 1.00 0.00 H new ATOM 0 HA SER A 39 -8.204 -6.932 -0.858 1.00 0.00 H new ATOM 0 HB2 SER A 39 -9.437 -7.416 -3.215 1.00 0.00 H new ATOM 0 HB3 SER A 39 -10.839 -7.521 -2.168 1.00 0.00 H new ATOM 0 HG SER A 39 -10.457 -5.356 -2.910 1.00 0.00 H new ATOM 603 N LYS A 40 -10.828 -8.804 -0.081 1.00 0.00 N ATOM 604 CA LYS A 40 -11.720 -9.173 1.012 1.00 0.00 C ATOM 605 C LYS A 40 -10.961 -9.244 2.333 1.00 0.00 C ATOM 606 O LYS A 40 -11.401 -8.695 3.343 1.00 0.00 O ATOM 607 CB LYS A 40 -12.386 -10.519 0.721 1.00 0.00 C ATOM 608 CG LYS A 40 -13.003 -10.606 -0.664 1.00 0.00 C ATOM 609 CD LYS A 40 -14.227 -11.506 -0.674 1.00 0.00 C ATOM 610 CE LYS A 40 -13.865 -12.935 -1.051 1.00 0.00 C ATOM 611 NZ LYS A 40 -15.069 -13.807 -1.137 1.00 0.00 N ATOM 0 H LYS A 40 -11.057 -9.237 -0.976 1.00 0.00 H new ATOM 0 HA LYS A 40 -12.489 -8.405 1.096 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -11.646 -11.312 0.830 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -13.160 -10.700 1.466 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -13.281 -9.608 -1.003 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -12.264 -10.987 -1.369 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -14.696 -11.496 0.310 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -14.960 -11.117 -1.380 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -13.345 -12.937 -2.009 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -13.174 -13.342 -0.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -14.781 -14.772 -1.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -15.551 -13.825 -0.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -15.717 -13.434 -1.860 1.00 0.00 H new ATOM 625 N MET A 41 -9.818 -9.922 2.318 1.00 0.00 N ATOM 626 CA MET A 41 -8.997 -10.062 3.515 1.00 0.00 C ATOM 627 C MET A 41 -8.360 -8.730 3.896 1.00 0.00 C ATOM 628 O MET A 41 -8.283 -8.381 5.075 1.00 0.00 O ATOM 629 CB MET A 41 -7.910 -11.116 3.294 1.00 0.00 C ATOM 630 CG MET A 41 -8.450 -12.457 2.825 1.00 0.00 C ATOM 631 SD MET A 41 -7.142 -13.642 2.457 1.00 0.00 S ATOM 632 CE MET A 41 -7.357 -13.847 0.691 1.00 0.00 C ATOM 0 H MET A 41 -9.439 -10.383 1.491 1.00 0.00 H new ATOM 0 HA MET A 41 -9.643 -10.383 4.332 1.00 0.00 H new ATOM 0 HB2 MET A 41 -7.198 -10.743 2.558 1.00 0.00 H new ATOM 0 HB3 MET A 41 -7.361 -11.260 4.224 1.00 0.00 H new ATOM 0 HG2 MET A 41 -9.103 -12.870 3.593 1.00 0.00 H new ATOM 0 HG3 MET A 41 -9.060 -12.307 1.934 1.00 0.00 H new ATOM 0 HE1 MET A 41 -7.747 -14.844 0.485 1.00 0.00 H new ATOM 0 HE2 MET A 41 -8.058 -13.099 0.321 1.00 0.00 H new ATOM 0 HE3 MET A 41 -6.397 -13.723 0.191 1.00 0.00 H new ATOM 642 N LEU A 42 -7.904 -7.988 2.892 1.00 0.00 N ATOM 643 CA LEU A 42 -7.273 -6.693 3.123 1.00 0.00 C ATOM 644 C LEU A 42 -8.281 -5.685 3.666 1.00 0.00 C ATOM 645 O LEU A 42 -7.912 -4.723 4.338 1.00 0.00 O ATOM 646 CB LEU A 42 -6.657 -6.167 1.826 1.00 0.00 C ATOM 647 CG LEU A 42 -5.546 -7.022 1.215 1.00 0.00 C ATOM 648 CD1 LEU A 42 -5.171 -6.504 -0.165 1.00 0.00 C ATOM 649 CD2 LEU A 42 -4.328 -7.044 2.127 1.00 0.00 C ATOM 0 H LEU A 42 -7.960 -8.261 1.911 1.00 0.00 H new ATOM 0 HA LEU A 42 -6.486 -6.827 3.865 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -7.452 -6.058 1.088 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -6.259 -5.170 2.015 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.915 -8.042 1.110 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -4.379 -7.125 -0.584 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -6.044 -6.540 -0.817 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.821 -5.475 -0.085 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -3.547 -7.657 1.677 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -3.958 -6.028 2.264 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -4.605 -7.463 3.094 1.00 0.00 H new ATOM 661 N GLY A 43 -9.557 -5.915 3.372 1.00 0.00 N ATOM 662 CA GLY A 43 -10.599 -5.020 3.840 1.00 0.00 C ATOM 663 C GLY A 43 -10.900 -5.202 5.315 1.00 0.00 C ATOM 664 O GLY A 43 -10.852 -4.246 6.089 1.00 0.00 O ATOM 0 H GLY A 43 -9.888 -6.705 2.818 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.296 -3.989 3.659 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -11.508 -5.192 3.263 1.00 0.00 H new ATOM 668 N LYS A 44 -11.214 -6.433 5.705 1.00 0.00 N ATOM 669 CA LYS A 44 -11.525 -6.738 7.097 1.00 0.00 C ATOM 670 C LYS A 44 -10.453 -6.182 8.029 1.00 0.00 C ATOM 671 O LYS A 44 -10.761 -5.639 9.090 1.00 0.00 O ATOM 672 CB LYS A 44 -11.651 -8.251 7.292 1.00 0.00 C ATOM 673 CG LYS A 44 -10.388 -9.017 6.937 1.00 0.00 C ATOM 674 CD LYS A 44 -10.479 -10.472 7.367 1.00 0.00 C ATOM 675 CE LYS A 44 -9.137 -11.176 7.237 1.00 0.00 C ATOM 676 NZ LYS A 44 -8.256 -10.913 8.408 1.00 0.00 N ATOM 0 H LYS A 44 -11.260 -7.235 5.077 1.00 0.00 H new ATOM 0 HA LYS A 44 -12.476 -6.265 7.343 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -11.910 -8.455 8.331 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -12.474 -8.620 6.680 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -10.220 -8.964 5.861 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -9.529 -8.548 7.417 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -10.821 -10.526 8.400 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -11.222 -10.987 6.758 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -9.298 -12.249 7.138 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -8.639 -10.843 6.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -7.352 -11.410 8.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -8.081 -9.891 8.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -8.719 -11.254 9.275 1.00 0.00 H new ATOM 690 N SER A 45 -9.194 -6.320 7.625 1.00 0.00 N ATOM 691 CA SER A 45 -8.077 -5.833 8.425 1.00 0.00 C ATOM 692 C SER A 45 -7.974 -4.313 8.347 1.00 0.00 C ATOM 693 O SER A 45 -7.518 -3.662 9.286 1.00 0.00 O ATOM 694 CB SER A 45 -6.769 -6.470 7.953 1.00 0.00 C ATOM 695 OG SER A 45 -6.644 -7.797 8.434 1.00 0.00 O ATOM 0 H SER A 45 -8.922 -6.765 6.748 1.00 0.00 H new ATOM 0 HA SER A 45 -8.256 -6.114 9.463 1.00 0.00 H new ATOM 0 HB2 SER A 45 -6.734 -6.470 6.864 1.00 0.00 H new ATOM 0 HB3 SER A 45 -5.925 -5.874 8.299 1.00 0.00 H new ATOM 0 HG SER A 45 -5.800 -8.182 8.117 1.00 0.00 H new ATOM 701 N TRP A 46 -8.401 -3.756 7.219 1.00 0.00 N ATOM 702 CA TRP A 46 -8.357 -2.312 7.017 1.00 0.00 C ATOM 703 C TRP A 46 -9.384 -1.607 7.896 1.00 0.00 C ATOM 704 O TRP A 46 -9.029 -0.900 8.839 1.00 0.00 O ATOM 705 CB TRP A 46 -8.608 -1.975 5.546 1.00 0.00 C ATOM 706 CG TRP A 46 -8.606 -0.503 5.265 1.00 0.00 C ATOM 707 CD1 TRP A 46 -9.658 0.249 4.826 1.00 0.00 C ATOM 708 CD2 TRP A 46 -7.499 0.394 5.403 1.00 0.00 C ATOM 709 NE1 TRP A 46 -9.272 1.560 4.682 1.00 0.00 N ATOM 710 CE2 TRP A 46 -7.952 1.675 5.031 1.00 0.00 C ATOM 711 CE3 TRP A 46 -6.170 0.241 5.806 1.00 0.00 C ATOM 712 CZ2 TRP A 46 -7.121 2.792 5.049 1.00 0.00 C ATOM 713 CZ3 TRP A 46 -5.347 1.351 5.823 1.00 0.00 C ATOM 714 CH2 TRP A 46 -5.825 2.613 5.448 1.00 0.00 C ATOM 0 H TRP A 46 -8.781 -4.281 6.432 1.00 0.00 H new ATOM 0 HA TRP A 46 -7.364 -1.961 7.299 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -7.844 -2.455 4.935 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -9.568 -2.394 5.243 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -10.648 -0.131 4.622 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -9.871 2.323 4.367 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -5.793 -0.728 6.099 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -7.487 3.766 4.758 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -4.317 1.244 6.131 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -5.157 3.461 5.474 1.00 0.00 H new ATOM 725 N LYS A 47 -10.660 -1.805 7.581 1.00 0.00 N ATOM 726 CA LYS A 47 -11.740 -1.189 8.343 1.00 0.00 C ATOM 727 C LYS A 47 -11.459 -1.261 9.841 1.00 0.00 C ATOM 728 O LYS A 47 -11.834 -0.364 10.596 1.00 0.00 O ATOM 729 CB LYS A 47 -13.070 -1.879 8.030 1.00 0.00 C ATOM 730 CG LYS A 47 -13.832 -1.239 6.883 1.00 0.00 C ATOM 731 CD LYS A 47 -14.803 -2.217 6.244 1.00 0.00 C ATOM 732 CE LYS A 47 -14.078 -3.249 5.395 1.00 0.00 C ATOM 733 NZ LYS A 47 -14.911 -4.462 5.164 1.00 0.00 N ATOM 0 H LYS A 47 -10.971 -2.387 6.803 1.00 0.00 H new ATOM 0 HA LYS A 47 -11.804 -0.140 8.053 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -12.879 -2.925 7.790 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -13.695 -1.866 8.923 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -14.378 -0.369 7.248 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -13.128 -0.881 6.132 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -15.376 -2.722 7.021 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -15.516 -1.672 5.625 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -13.808 -2.806 4.436 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -13.148 -3.535 5.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -14.381 -5.141 4.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -15.147 -4.900 6.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -15.787 -4.193 4.672 1.00 0.00 H new ATOM 747 N ALA A 48 -10.795 -2.332 10.263 1.00 0.00 N ATOM 748 CA ALA A 48 -10.460 -2.518 11.670 1.00 0.00 C ATOM 749 C ALA A 48 -9.507 -1.431 12.155 1.00 0.00 C ATOM 750 O ALA A 48 -9.642 -0.926 13.271 1.00 0.00 O ATOM 751 CB ALA A 48 -9.851 -3.894 11.890 1.00 0.00 C ATOM 0 H ALA A 48 -10.478 -3.084 9.651 1.00 0.00 H new ATOM 0 HA ALA A 48 -11.380 -2.444 12.250 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -9.606 -4.019 12.945 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -10.566 -4.660 11.590 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -8.944 -3.990 11.293 1.00 0.00 H new ATOM 757 N LEU A 49 -8.543 -1.076 11.313 1.00 0.00 N ATOM 758 CA LEU A 49 -7.566 -0.049 11.657 1.00 0.00 C ATOM 759 C LEU A 49 -8.259 1.249 12.059 1.00 0.00 C ATOM 760 O LEU A 49 -9.322 1.586 11.537 1.00 0.00 O ATOM 761 CB LEU A 49 -6.627 0.205 10.476 1.00 0.00 C ATOM 762 CG LEU A 49 -5.671 -0.935 10.121 1.00 0.00 C ATOM 763 CD1 LEU A 49 -4.860 -0.585 8.883 1.00 0.00 C ATOM 764 CD2 LEU A 49 -4.752 -1.244 11.294 1.00 0.00 C ATOM 0 H LEU A 49 -8.417 -1.484 10.387 1.00 0.00 H new ATOM 0 HA LEU A 49 -6.983 -0.406 12.506 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.233 0.431 9.598 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -6.035 1.094 10.693 1.00 0.00 H new ATOM 0 HG LEU A 49 -6.261 -1.825 9.903 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.185 -1.408 8.645 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.533 -0.414 8.043 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -4.279 0.318 9.072 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.079 -2.057 11.024 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.169 -0.357 11.543 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.350 -1.539 12.157 1.00 0.00 H new ATOM 776 N THR A 50 -7.648 1.976 12.990 1.00 0.00 N ATOM 777 CA THR A 50 -8.205 3.237 13.461 1.00 0.00 C ATOM 778 C THR A 50 -7.566 4.422 12.746 1.00 0.00 C ATOM 779 O THR A 50 -6.582 4.266 12.022 1.00 0.00 O ATOM 780 CB THR A 50 -8.012 3.404 14.981 1.00 0.00 C ATOM 781 OG1 THR A 50 -6.616 3.409 15.299 1.00 0.00 O ATOM 782 CG2 THR A 50 -8.707 2.284 15.740 1.00 0.00 C ATOM 0 H THR A 50 -6.767 1.712 13.432 1.00 0.00 H new ATOM 0 HA THR A 50 -9.272 3.214 13.238 1.00 0.00 H new ATOM 0 HB THR A 50 -8.456 4.354 15.280 1.00 0.00 H new ATOM 0 HG1 THR A 50 -6.501 3.517 16.266 1.00 0.00 H new ATOM 0 HG21 THR A 50 -8.557 2.423 16.811 1.00 0.00 H new ATOM 0 HG22 THR A 50 -9.774 2.301 15.518 1.00 0.00 H new ATOM 0 HG23 THR A 50 -8.289 1.324 15.436 1.00 0.00 H new ATOM 790 N LEU A 51 -8.130 5.607 12.954 1.00 0.00 N ATOM 791 CA LEU A 51 -7.613 6.820 12.330 1.00 0.00 C ATOM 792 C LEU A 51 -6.103 6.925 12.511 1.00 0.00 C ATOM 793 O LEU A 51 -5.357 7.038 11.538 1.00 0.00 O ATOM 794 CB LEU A 51 -8.297 8.053 12.923 1.00 0.00 C ATOM 795 CG LEU A 51 -8.002 9.383 12.228 1.00 0.00 C ATOM 796 CD1 LEU A 51 -6.787 10.053 12.851 1.00 0.00 C ATOM 797 CD2 LEU A 51 -7.791 9.170 10.736 1.00 0.00 C ATOM 0 H LEU A 51 -8.945 5.754 13.550 1.00 0.00 H new ATOM 0 HA LEU A 51 -7.829 6.770 11.263 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -9.374 7.889 12.907 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -8.003 8.139 13.969 1.00 0.00 H new ATOM 0 HG LEU A 51 -8.861 10.040 12.362 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -6.592 10.998 12.344 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -6.977 10.241 13.908 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -5.920 9.401 12.749 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -7.582 10.127 10.258 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -6.949 8.495 10.580 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -8.690 8.735 10.300 1.00 0.00 H new ATOM 809 N ALA A 52 -5.658 6.884 13.762 1.00 0.00 N ATOM 810 CA ALA A 52 -4.236 6.971 14.071 1.00 0.00 C ATOM 811 C ALA A 52 -3.436 5.951 13.266 1.00 0.00 C ATOM 812 O ALA A 52 -2.278 6.187 12.926 1.00 0.00 O ATOM 813 CB ALA A 52 -4.005 6.768 15.561 1.00 0.00 C ATOM 0 H ALA A 52 -6.262 6.791 14.579 1.00 0.00 H new ATOM 0 HA ALA A 52 -3.890 7.967 13.794 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -2.939 6.836 15.776 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -4.538 7.537 16.120 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -4.373 5.785 15.856 1.00 0.00 H new ATOM 819 N GLU A 53 -4.064 4.818 12.966 1.00 0.00 N ATOM 820 CA GLU A 53 -3.409 3.763 12.202 1.00 0.00 C ATOM 821 C GLU A 53 -3.371 4.109 10.717 1.00 0.00 C ATOM 822 O GLU A 53 -2.419 3.770 10.012 1.00 0.00 O ATOM 823 CB GLU A 53 -4.132 2.430 12.408 1.00 0.00 C ATOM 824 CG GLU A 53 -3.931 1.836 13.792 1.00 0.00 C ATOM 825 CD GLU A 53 -2.562 1.208 13.964 1.00 0.00 C ATOM 826 OE1 GLU A 53 -1.571 1.962 14.060 1.00 0.00 O ATOM 827 OE2 GLU A 53 -2.481 -0.037 14.004 1.00 0.00 O ATOM 0 H GLU A 53 -5.024 4.608 13.240 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.384 3.672 12.562 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.198 2.574 12.235 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -3.782 1.717 11.662 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -4.065 2.616 14.541 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -4.698 1.083 13.975 1.00 0.00 H new ATOM 834 N LYS A 54 -4.412 4.787 10.246 1.00 0.00 N ATOM 835 CA LYS A 54 -4.500 5.181 8.845 1.00 0.00 C ATOM 836 C LYS A 54 -3.784 6.507 8.608 1.00 0.00 C ATOM 837 O LYS A 54 -3.594 6.924 7.465 1.00 0.00 O ATOM 838 CB LYS A 54 -5.965 5.295 8.417 1.00 0.00 C ATOM 839 CG LYS A 54 -6.796 4.070 8.758 1.00 0.00 C ATOM 840 CD LYS A 54 -8.282 4.344 8.601 1.00 0.00 C ATOM 841 CE LYS A 54 -8.754 4.066 7.182 1.00 0.00 C ATOM 842 NZ LYS A 54 -10.186 4.429 6.993 1.00 0.00 N ATOM 0 H LYS A 54 -5.208 5.075 10.815 1.00 0.00 H new ATOM 0 HA LYS A 54 -4.012 4.413 8.245 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -6.408 6.169 8.896 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -6.008 5.465 7.341 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -6.507 3.242 8.111 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -6.588 3.762 9.783 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -8.843 3.724 9.300 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -8.491 5.383 8.858 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -8.141 4.629 6.478 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -8.614 3.010 6.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -10.470 4.225 6.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -10.774 3.874 7.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -10.316 5.443 7.187 1.00 0.00 H new ATOM 856 N ARG A 55 -3.389 7.164 9.693 1.00 0.00 N ATOM 857 CA ARG A 55 -2.695 8.442 9.602 1.00 0.00 C ATOM 858 C ARG A 55 -1.461 8.328 8.710 1.00 0.00 C ATOM 859 O ARG A 55 -1.257 9.117 7.787 1.00 0.00 O ATOM 860 CB ARG A 55 -2.287 8.926 10.995 1.00 0.00 C ATOM 861 CG ARG A 55 -2.355 10.436 11.159 1.00 0.00 C ATOM 862 CD ARG A 55 -3.779 10.905 11.413 1.00 0.00 C ATOM 863 NE ARG A 55 -3.979 12.293 11.005 1.00 0.00 N ATOM 864 CZ ARG A 55 -3.521 13.334 11.691 1.00 0.00 C ATOM 865 NH1 ARG A 55 -2.839 13.145 12.813 1.00 0.00 N ATOM 866 NH2 ARG A 55 -3.743 14.567 11.256 1.00 0.00 N ATOM 0 H ARG A 55 -3.538 6.832 10.646 1.00 0.00 H new ATOM 0 HA ARG A 55 -3.378 9.167 9.159 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -2.935 8.459 11.737 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -1.271 8.592 11.203 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -1.717 10.742 11.988 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -1.966 10.918 10.262 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -4.474 10.264 10.871 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -4.011 10.802 12.473 1.00 0.00 H new ATOM 0 HE ARG A 55 -4.499 12.473 10.146 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -2.665 12.198 13.151 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -2.488 13.946 13.338 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -4.266 14.717 10.393 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -3.391 15.365 11.784 1.00 0.00 H new ATOM 880 N PRO A 56 -0.618 7.324 8.992 1.00 0.00 N ATOM 881 CA PRO A 56 0.609 7.083 8.227 1.00 0.00 C ATOM 882 C PRO A 56 0.324 6.579 6.817 1.00 0.00 C ATOM 883 O PRO A 56 1.075 6.860 5.883 1.00 0.00 O ATOM 884 CB PRO A 56 1.330 6.008 9.044 1.00 0.00 C ATOM 885 CG PRO A 56 0.246 5.304 9.785 1.00 0.00 C ATOM 886 CD PRO A 56 -0.799 6.346 10.078 1.00 0.00 C ATOM 0 HA PRO A 56 1.190 7.995 8.090 1.00 0.00 H new ATOM 0 HB2 PRO A 56 1.878 5.322 8.399 1.00 0.00 H new ATOM 0 HB3 PRO A 56 2.054 6.450 9.728 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -0.170 4.491 9.190 1.00 0.00 H new ATOM 0 HG3 PRO A 56 0.626 4.862 10.706 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -1.803 5.921 10.073 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -0.650 6.801 11.057 1.00 0.00 H new ATOM 894 N PHE A 57 -0.766 5.833 6.669 1.00 0.00 N ATOM 895 CA PHE A 57 -1.150 5.289 5.372 1.00 0.00 C ATOM 896 C PHE A 57 -2.065 6.256 4.626 1.00 0.00 C ATOM 897 O PHE A 57 -2.339 6.078 3.439 1.00 0.00 O ATOM 898 CB PHE A 57 -1.850 3.940 5.548 1.00 0.00 C ATOM 899 CG PHE A 57 -1.105 2.989 6.440 1.00 0.00 C ATOM 900 CD1 PHE A 57 0.128 2.484 6.061 1.00 0.00 C ATOM 901 CD2 PHE A 57 -1.638 2.601 7.659 1.00 0.00 C ATOM 902 CE1 PHE A 57 0.817 1.609 6.880 1.00 0.00 C ATOM 903 CE2 PHE A 57 -0.953 1.727 8.483 1.00 0.00 C ATOM 904 CZ PHE A 57 0.275 1.230 8.092 1.00 0.00 C ATOM 0 H PHE A 57 -1.399 5.592 7.432 1.00 0.00 H new ATOM 0 HA PHE A 57 -0.244 5.146 4.783 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -2.845 4.107 5.960 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -1.983 3.479 4.569 1.00 0.00 H new ATOM 0 HD1 PHE A 57 0.556 2.777 5.114 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -2.599 2.985 7.969 1.00 0.00 H new ATOM 0 HE1 PHE A 57 1.777 1.223 6.572 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -1.378 1.433 9.431 1.00 0.00 H new ATOM 0 HZ PHE A 57 0.811 0.546 8.733 1.00 0.00 H new ATOM 914 N VAL A 58 -2.534 7.280 5.331 1.00 0.00 N ATOM 915 CA VAL A 58 -3.417 8.276 4.737 1.00 0.00 C ATOM 916 C VAL A 58 -2.628 9.478 4.229 1.00 0.00 C ATOM 917 O VAL A 58 -2.983 10.085 3.220 1.00 0.00 O ATOM 918 CB VAL A 58 -4.476 8.760 5.745 1.00 0.00 C ATOM 919 CG1 VAL A 58 -5.091 10.073 5.285 1.00 0.00 C ATOM 920 CG2 VAL A 58 -5.549 7.700 5.941 1.00 0.00 C ATOM 0 H VAL A 58 -2.317 7.442 6.314 1.00 0.00 H new ATOM 0 HA VAL A 58 -3.918 7.794 3.898 1.00 0.00 H new ATOM 0 HB VAL A 58 -3.987 8.931 6.704 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -5.837 10.399 6.010 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -4.311 10.830 5.201 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -5.566 9.932 4.314 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -6.289 8.059 6.656 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -6.036 7.495 4.988 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -5.092 6.786 6.320 1.00 0.00 H new ATOM 930 N GLU A 59 -1.554 9.816 4.937 1.00 0.00 N ATOM 931 CA GLU A 59 -0.714 10.946 4.558 1.00 0.00 C ATOM 932 C GLU A 59 0.266 10.550 3.457 1.00 0.00 C ATOM 933 O GLU A 59 0.924 11.403 2.863 1.00 0.00 O ATOM 934 CB GLU A 59 0.052 11.471 5.774 1.00 0.00 C ATOM 935 CG GLU A 59 -0.841 11.819 6.952 1.00 0.00 C ATOM 936 CD GLU A 59 -1.339 13.251 6.904 1.00 0.00 C ATOM 937 OE1 GLU A 59 -0.499 14.173 6.948 1.00 0.00 O ATOM 938 OE2 GLU A 59 -2.570 13.448 6.823 1.00 0.00 O ATOM 0 H GLU A 59 -1.246 9.324 5.775 1.00 0.00 H new ATOM 0 HA GLU A 59 -1.361 11.736 4.177 1.00 0.00 H new ATOM 0 HB2 GLU A 59 0.777 10.720 6.088 1.00 0.00 H new ATOM 0 HB3 GLU A 59 0.616 12.357 5.483 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -1.695 11.142 6.968 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -0.291 11.661 7.879 1.00 0.00 H new ATOM 945 N GLU A 60 0.356 9.250 3.192 1.00 0.00 N ATOM 946 CA GLU A 60 1.256 8.742 2.164 1.00 0.00 C ATOM 947 C GLU A 60 0.532 8.600 0.828 1.00 0.00 C ATOM 948 O GLU A 60 0.992 9.105 -0.196 1.00 0.00 O ATOM 949 CB GLU A 60 1.838 7.391 2.587 1.00 0.00 C ATOM 950 CG GLU A 60 2.430 6.596 1.436 1.00 0.00 C ATOM 951 CD GLU A 60 3.515 5.638 1.886 1.00 0.00 C ATOM 952 OE1 GLU A 60 3.366 5.039 2.971 1.00 0.00 O ATOM 953 OE2 GLU A 60 4.514 5.487 1.151 1.00 0.00 O ATOM 0 H GLU A 60 -0.183 8.531 3.675 1.00 0.00 H new ATOM 0 HA GLU A 60 2.069 9.458 2.043 1.00 0.00 H new ATOM 0 HB2 GLU A 60 2.610 7.557 3.338 1.00 0.00 H new ATOM 0 HB3 GLU A 60 1.054 6.800 3.061 1.00 0.00 H new ATOM 0 HG2 GLU A 60 1.637 6.035 0.941 1.00 0.00 H new ATOM 0 HG3 GLU A 60 2.842 7.284 0.698 1.00 0.00 H new ATOM 960 N ALA A 61 -0.603 7.909 0.848 1.00 0.00 N ATOM 961 CA ALA A 61 -1.392 7.702 -0.361 1.00 0.00 C ATOM 962 C ALA A 61 -1.763 9.031 -1.009 1.00 0.00 C ATOM 963 O ALA A 61 -1.751 9.160 -2.232 1.00 0.00 O ATOM 964 CB ALA A 61 -2.645 6.900 -0.042 1.00 0.00 C ATOM 0 H ALA A 61 -0.997 7.483 1.687 1.00 0.00 H new ATOM 0 HA ALA A 61 -0.784 7.140 -1.070 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -3.225 6.753 -0.953 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -2.362 5.931 0.368 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -3.247 7.441 0.688 1.00 0.00 H new ATOM 970 N GLU A 62 -2.093 10.017 -0.180 1.00 0.00 N ATOM 971 CA GLU A 62 -2.470 11.336 -0.674 1.00 0.00 C ATOM 972 C GLU A 62 -1.402 11.890 -1.613 1.00 0.00 C ATOM 973 O GLU A 62 -1.714 12.531 -2.617 1.00 0.00 O ATOM 974 CB GLU A 62 -2.687 12.300 0.494 1.00 0.00 C ATOM 975 CG GLU A 62 -2.841 13.750 0.066 1.00 0.00 C ATOM 976 CD GLU A 62 -3.665 14.563 1.045 1.00 0.00 C ATOM 977 OE1 GLU A 62 -4.910 14.477 0.988 1.00 0.00 O ATOM 978 OE2 GLU A 62 -3.066 15.285 1.869 1.00 0.00 O ATOM 0 H GLU A 62 -2.107 9.927 0.836 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.402 11.235 -1.230 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -3.577 11.996 1.044 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.845 12.220 1.181 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -1.854 14.202 -0.035 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -3.311 13.787 -0.917 1.00 0.00 H new ATOM 985 N ARG A 63 -0.140 11.639 -1.279 1.00 0.00 N ATOM 986 CA ARG A 63 0.974 12.114 -2.090 1.00 0.00 C ATOM 987 C ARG A 63 1.071 11.328 -3.394 1.00 0.00 C ATOM 988 O ARG A 63 1.352 11.893 -4.452 1.00 0.00 O ATOM 989 CB ARG A 63 2.286 11.995 -1.312 1.00 0.00 C ATOM 990 CG ARG A 63 2.265 12.707 0.031 1.00 0.00 C ATOM 991 CD ARG A 63 3.496 12.372 0.859 1.00 0.00 C ATOM 992 NE ARG A 63 4.701 13.002 0.326 1.00 0.00 N ATOM 993 CZ ARG A 63 5.929 12.696 0.729 1.00 0.00 C ATOM 994 NH1 ARG A 63 6.114 11.772 1.662 1.00 0.00 N ATOM 995 NH2 ARG A 63 6.976 13.313 0.196 1.00 0.00 N ATOM 0 H ARG A 63 0.136 11.109 -0.452 1.00 0.00 H new ATOM 0 HA ARG A 63 0.795 13.162 -2.330 1.00 0.00 H new ATOM 0 HB2 ARG A 63 2.509 10.940 -1.151 1.00 0.00 H new ATOM 0 HB3 ARG A 63 3.096 12.403 -1.917 1.00 0.00 H new ATOM 0 HG2 ARG A 63 2.214 13.784 -0.128 1.00 0.00 H new ATOM 0 HG3 ARG A 63 1.367 12.423 0.580 1.00 0.00 H new ATOM 0 HD2 ARG A 63 3.341 12.698 1.888 1.00 0.00 H new ATOM 0 HD3 ARG A 63 3.633 11.291 0.884 1.00 0.00 H new ATOM 0 HE ARG A 63 4.594 13.716 -0.395 1.00 0.00 H new ATOM 0 HH11 ARG A 63 5.312 11.294 2.072 1.00 0.00 H new ATOM 0 HH12 ARG A 63 7.058 11.539 1.969 1.00 0.00 H new ATOM 0 HH21 ARG A 63 6.838 14.023 -0.524 1.00 0.00 H new ATOM 0 HH22 ARG A 63 7.919 13.078 0.506 1.00 0.00 H new ATOM 1009 N LEU A 64 0.837 10.023 -3.311 1.00 0.00 N ATOM 1010 CA LEU A 64 0.898 9.159 -4.485 1.00 0.00 C ATOM 1011 C LEU A 64 -0.197 9.519 -5.484 1.00 0.00 C ATOM 1012 O LEU A 64 0.035 9.545 -6.692 1.00 0.00 O ATOM 1013 CB LEU A 64 0.763 7.693 -4.070 1.00 0.00 C ATOM 1014 CG LEU A 64 1.653 7.238 -2.912 1.00 0.00 C ATOM 1015 CD1 LEU A 64 1.336 5.802 -2.527 1.00 0.00 C ATOM 1016 CD2 LEU A 64 3.123 7.382 -3.281 1.00 0.00 C ATOM 0 H LEU A 64 0.603 9.540 -2.444 1.00 0.00 H new ATOM 0 HA LEU A 64 1.865 9.308 -4.965 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.276 7.508 -3.798 1.00 0.00 H new ATOM 0 HB3 LEU A 64 0.982 7.069 -4.937 1.00 0.00 H new ATOM 0 HG LEU A 64 1.451 7.876 -2.051 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.979 5.496 -1.702 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.293 5.729 -2.220 1.00 0.00 H new ATOM 0 HD13 LEU A 64 1.509 5.149 -3.383 1.00 0.00 H new ATOM 0 HD21 LEU A 64 3.742 7.054 -2.446 1.00 0.00 H new ATOM 0 HD22 LEU A 64 3.340 6.769 -4.156 1.00 0.00 H new ATOM 0 HD23 LEU A 64 3.341 8.426 -3.506 1.00 0.00 H new ATOM 1028 N ARG A 65 -1.391 9.798 -4.970 1.00 0.00 N ATOM 1029 CA ARG A 65 -2.522 10.158 -5.817 1.00 0.00 C ATOM 1030 C ARG A 65 -2.226 11.430 -6.607 1.00 0.00 C ATOM 1031 O ARG A 65 -2.354 11.458 -7.831 1.00 0.00 O ATOM 1032 CB ARG A 65 -3.780 10.352 -4.969 1.00 0.00 C ATOM 1033 CG ARG A 65 -4.952 10.933 -5.743 1.00 0.00 C ATOM 1034 CD ARG A 65 -5.863 11.752 -4.842 1.00 0.00 C ATOM 1035 NE ARG A 65 -7.248 11.739 -5.306 1.00 0.00 N ATOM 1036 CZ ARG A 65 -8.056 10.693 -5.176 1.00 0.00 C ATOM 1037 NH1 ARG A 65 -7.620 9.582 -4.599 1.00 0.00 N ATOM 1038 NH2 ARG A 65 -9.304 10.757 -5.623 1.00 0.00 N ATOM 0 H ARG A 65 -1.600 9.782 -3.972 1.00 0.00 H new ATOM 0 HA ARG A 65 -2.690 9.344 -6.522 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -4.075 9.391 -4.546 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -3.546 11.010 -4.132 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -4.580 11.560 -6.553 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -5.523 10.126 -6.202 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -5.817 11.359 -3.827 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -5.504 12.780 -4.802 1.00 0.00 H new ATOM 0 HE ARG A 65 -7.614 12.579 -5.754 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -6.662 9.529 -4.254 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -8.243 8.780 -4.500 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -9.644 11.610 -6.067 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -9.924 9.953 -5.523 1.00 0.00 H new ATOM 1052 N VAL A 66 -1.831 12.483 -5.897 1.00 0.00 N ATOM 1053 CA VAL A 66 -1.517 13.758 -6.531 1.00 0.00 C ATOM 1054 C VAL A 66 -0.364 13.612 -7.518 1.00 0.00 C ATOM 1055 O VAL A 66 -0.303 14.318 -8.524 1.00 0.00 O ATOM 1056 CB VAL A 66 -1.152 14.829 -5.486 1.00 0.00 C ATOM 1057 CG1 VAL A 66 -2.363 15.182 -4.637 1.00 0.00 C ATOM 1058 CG2 VAL A 66 0.000 14.351 -4.615 1.00 0.00 C ATOM 0 H VAL A 66 -1.721 12.478 -4.883 1.00 0.00 H new ATOM 0 HA VAL A 66 -2.412 14.074 -7.067 1.00 0.00 H new ATOM 0 HB VAL A 66 -0.832 15.730 -6.010 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.085 15.940 -3.905 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -3.156 15.569 -5.277 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -2.717 14.290 -4.120 1.00 0.00 H new ATOM 0 HG21 VAL A 66 0.245 15.120 -3.882 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -0.290 13.436 -4.098 1.00 0.00 H new ATOM 0 HG23 VAL A 66 0.871 14.154 -5.240 1.00 0.00 H new ATOM 1068 N GLN A 67 0.547 12.691 -7.222 1.00 0.00 N ATOM 1069 CA GLN A 67 1.699 12.452 -8.084 1.00 0.00 C ATOM 1070 C GLN A 67 1.261 11.908 -9.440 1.00 0.00 C ATOM 1071 O GLN A 67 1.975 12.042 -10.434 1.00 0.00 O ATOM 1072 CB GLN A 67 2.668 11.474 -7.417 1.00 0.00 C ATOM 1073 CG GLN A 67 3.521 12.109 -6.331 1.00 0.00 C ATOM 1074 CD GLN A 67 4.035 11.097 -5.326 1.00 0.00 C ATOM 1075 OE1 GLN A 67 4.256 9.932 -5.659 1.00 0.00 O ATOM 1076 NE2 GLN A 67 4.227 11.536 -4.088 1.00 0.00 N ATOM 0 H GLN A 67 0.510 12.098 -6.393 1.00 0.00 H new ATOM 0 HA GLN A 67 2.206 13.404 -8.242 1.00 0.00 H new ATOM 0 HB2 GLN A 67 2.100 10.650 -6.986 1.00 0.00 H new ATOM 0 HB3 GLN A 67 3.322 11.047 -8.178 1.00 0.00 H new ATOM 0 HG2 GLN A 67 4.367 12.620 -6.791 1.00 0.00 H new ATOM 0 HG3 GLN A 67 2.935 12.867 -5.811 1.00 0.00 H new ATOM 0 HE21 GLN A 67 4.031 12.510 -3.856 1.00 0.00 H new ATOM 0 HE22 GLN A 67 4.571 10.900 -3.369 1.00 0.00 H new ATOM 1085 N HIS A 68 0.083 11.292 -9.472 1.00 0.00 N ATOM 1086 CA HIS A 68 -0.450 10.727 -10.707 1.00 0.00 C ATOM 1087 C HIS A 68 -1.166 11.795 -11.528 1.00 0.00 C ATOM 1088 O HIS A 68 -1.115 11.783 -12.758 1.00 0.00 O ATOM 1089 CB HIS A 68 -1.410 9.579 -10.394 1.00 0.00 C ATOM 1090 CG HIS A 68 -2.055 8.989 -11.610 1.00 0.00 C ATOM 1091 ND1 HIS A 68 -1.414 8.096 -12.443 1.00 0.00 N ATOM 1092 CD2 HIS A 68 -3.291 9.167 -12.132 1.00 0.00 C ATOM 1093 CE1 HIS A 68 -2.227 7.752 -13.425 1.00 0.00 C ATOM 1094 NE2 HIS A 68 -3.373 8.387 -13.259 1.00 0.00 N ATOM 0 H HIS A 68 -0.520 11.172 -8.658 1.00 0.00 H new ATOM 0 HA HIS A 68 0.385 10.343 -11.293 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -0.867 8.796 -9.865 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -2.187 9.939 -9.720 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -4.068 9.804 -11.736 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -1.994 7.068 -14.227 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -4.187 8.310 -13.869 1.00 0.00 H new ATOM 1103 N MET A 69 -1.832 12.716 -10.840 1.00 0.00 N ATOM 1104 CA MET A 69 -2.558 13.791 -11.507 1.00 0.00 C ATOM 1105 C MET A 69 -1.592 14.814 -12.098 1.00 0.00 C ATOM 1106 O MET A 69 -1.778 15.278 -13.222 1.00 0.00 O ATOM 1107 CB MET A 69 -3.510 14.478 -10.526 1.00 0.00 C ATOM 1108 CG MET A 69 -4.662 13.594 -10.077 1.00 0.00 C ATOM 1109 SD MET A 69 -6.145 14.537 -9.675 1.00 0.00 S ATOM 1110 CE MET A 69 -6.102 14.490 -7.885 1.00 0.00 C ATOM 0 H MET A 69 -1.884 12.740 -9.822 1.00 0.00 H new ATOM 0 HA MET A 69 -3.139 13.354 -12.319 1.00 0.00 H new ATOM 0 HB2 MET A 69 -2.946 14.799 -9.650 1.00 0.00 H new ATOM 0 HB3 MET A 69 -3.913 15.377 -10.993 1.00 0.00 H new ATOM 0 HG2 MET A 69 -4.894 12.878 -10.865 1.00 0.00 H new ATOM 0 HG3 MET A 69 -4.354 13.018 -9.204 1.00 0.00 H new ATOM 0 HE1 MET A 69 -6.959 15.033 -7.486 1.00 0.00 H new ATOM 0 HE2 MET A 69 -6.139 13.454 -7.547 1.00 0.00 H new ATOM 0 HE3 MET A 69 -5.181 14.954 -7.531 1.00 0.00 H new ATOM 1120 N GLN A 70 -0.563 15.161 -11.331 1.00 0.00 N ATOM 1121 CA GLN A 70 0.430 16.130 -11.780 1.00 0.00 C ATOM 1122 C GLN A 70 1.038 15.709 -13.113 1.00 0.00 C ATOM 1123 O GLN A 70 1.368 16.550 -13.949 1.00 0.00 O ATOM 1124 CB GLN A 70 1.532 16.286 -10.730 1.00 0.00 C ATOM 1125 CG GLN A 70 2.364 15.029 -10.531 1.00 0.00 C ATOM 1126 CD GLN A 70 3.627 15.287 -9.733 1.00 0.00 C ATOM 1127 OE1 GLN A 70 3.659 15.086 -8.518 1.00 0.00 O ATOM 1128 NE2 GLN A 70 4.677 15.733 -10.412 1.00 0.00 N ATOM 0 H GLN A 70 -0.395 14.786 -10.397 1.00 0.00 H new ATOM 0 HA GLN A 70 -0.071 17.088 -11.917 1.00 0.00 H new ATOM 0 HB2 GLN A 70 2.189 17.104 -11.024 1.00 0.00 H new ATOM 0 HB3 GLN A 70 1.079 16.567 -9.779 1.00 0.00 H new ATOM 0 HG2 GLN A 70 1.763 14.277 -10.020 1.00 0.00 H new ATOM 0 HG3 GLN A 70 2.631 14.617 -11.504 1.00 0.00 H new ATOM 0 HE21 GLN A 70 4.606 15.886 -11.418 1.00 0.00 H new ATOM 0 HE22 GLN A 70 5.554 15.923 -9.928 1.00 0.00 H new ATOM 1137 N ASP A 71 1.183 14.402 -13.305 1.00 0.00 N ATOM 1138 CA ASP A 71 1.751 13.869 -14.538 1.00 0.00 C ATOM 1139 C ASP A 71 0.878 14.226 -15.737 1.00 0.00 C ATOM 1140 O ASP A 71 1.379 14.447 -16.840 1.00 0.00 O ATOM 1141 CB ASP A 71 1.907 12.351 -14.438 1.00 0.00 C ATOM 1142 CG ASP A 71 3.149 11.946 -13.669 1.00 0.00 C ATOM 1143 OD1 ASP A 71 4.095 12.759 -13.598 1.00 0.00 O ATOM 1144 OD2 ASP A 71 3.176 10.816 -13.138 1.00 0.00 O ATOM 0 H ASP A 71 0.915 13.693 -12.623 1.00 0.00 H new ATOM 0 HA ASP A 71 2.734 14.318 -14.681 1.00 0.00 H new ATOM 0 HB2 ASP A 71 1.028 11.930 -13.950 1.00 0.00 H new ATOM 0 HB3 ASP A 71 1.950 11.926 -15.441 1.00 0.00 H new ATOM 1149 N HIS A 72 -0.432 14.278 -15.515 1.00 0.00 N ATOM 1150 CA HIS A 72 -1.375 14.607 -16.577 1.00 0.00 C ATOM 1151 C HIS A 72 -2.546 15.419 -16.032 1.00 0.00 C ATOM 1152 O HIS A 72 -3.274 14.983 -15.139 1.00 0.00 O ATOM 1153 CB HIS A 72 -1.891 13.331 -17.243 1.00 0.00 C ATOM 1154 CG HIS A 72 -2.092 12.196 -16.287 1.00 0.00 C ATOM 1155 ND1 HIS A 72 -3.322 11.864 -15.760 1.00 0.00 N ATOM 1156 CD2 HIS A 72 -1.210 11.311 -15.766 1.00 0.00 C ATOM 1157 CE1 HIS A 72 -3.188 10.827 -14.954 1.00 0.00 C ATOM 1158 NE2 HIS A 72 -1.916 10.471 -14.940 1.00 0.00 N ATOM 0 H HIS A 72 -0.864 14.096 -14.609 1.00 0.00 H new ATOM 0 HA HIS A 72 -0.852 15.210 -17.319 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -2.836 13.548 -17.741 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -1.186 13.024 -18.016 1.00 0.00 H new ATOM 0 HD1 HIS A 72 -4.199 12.345 -15.961 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -0.149 11.273 -15.963 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -3.983 10.351 -14.400 1.00 0.00 H new ATOM 1167 N PRO A 73 -2.734 16.629 -16.579 1.00 0.00 N ATOM 1168 CA PRO A 73 -3.815 17.528 -16.162 1.00 0.00 C ATOM 1169 C PRO A 73 -5.188 17.016 -16.583 1.00 0.00 C ATOM 1170 O PRO A 73 -6.207 17.647 -16.306 1.00 0.00 O ATOM 1171 CB PRO A 73 -3.487 18.837 -16.885 1.00 0.00 C ATOM 1172 CG PRO A 73 -2.690 18.423 -18.074 1.00 0.00 C ATOM 1173 CD PRO A 73 -1.905 17.214 -17.647 1.00 0.00 C ATOM 0 HA PRO A 73 -3.868 17.626 -15.078 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -4.394 19.364 -17.180 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -2.920 19.512 -16.244 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -3.340 18.188 -18.917 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -2.026 19.225 -18.397 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -1.761 16.516 -18.472 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -0.914 17.486 -17.283 1.00 0.00 H new ATOM 1181 N ASN A 74 -5.207 15.869 -17.255 1.00 0.00 N ATOM 1182 CA ASN A 74 -6.456 15.273 -17.715 1.00 0.00 C ATOM 1183 C ASN A 74 -7.572 15.498 -16.699 1.00 0.00 C ATOM 1184 O ASN A 74 -8.671 15.925 -17.053 1.00 0.00 O ATOM 1185 CB ASN A 74 -6.270 13.775 -17.961 1.00 0.00 C ATOM 1186 CG ASN A 74 -5.770 13.477 -19.362 1.00 0.00 C ATOM 1187 OD1 ASN A 74 -6.451 12.819 -20.149 1.00 0.00 O ATOM 1188 ND2 ASN A 74 -4.575 13.962 -19.679 1.00 0.00 N ATOM 0 H ASN A 74 -4.372 15.334 -17.493 1.00 0.00 H new ATOM 0 HA ASN A 74 -6.737 15.756 -18.651 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -5.564 13.375 -17.233 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -7.218 13.263 -17.800 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -4.186 13.794 -20.607 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -4.046 14.502 -18.994 1.00 0.00 H new ATOM 1195 N TYR A 75 -7.282 15.208 -15.436 1.00 0.00 N ATOM 1196 CA TYR A 75 -8.261 15.377 -14.368 1.00 0.00 C ATOM 1197 C TYR A 75 -8.958 16.730 -14.477 1.00 0.00 C ATOM 1198 O TYR A 75 -8.552 17.590 -15.258 1.00 0.00 O ATOM 1199 CB TYR A 75 -7.585 15.248 -13.002 1.00 0.00 C ATOM 1200 CG TYR A 75 -6.577 16.339 -12.720 1.00 0.00 C ATOM 1201 CD1 TYR A 75 -6.969 17.541 -12.142 1.00 0.00 C ATOM 1202 CD2 TYR A 75 -5.234 16.170 -13.032 1.00 0.00 C ATOM 1203 CE1 TYR A 75 -6.052 18.541 -11.882 1.00 0.00 C ATOM 1204 CE2 TYR A 75 -4.310 17.164 -12.775 1.00 0.00 C ATOM 1205 CZ TYR A 75 -4.724 18.348 -12.200 1.00 0.00 C ATOM 1206 OH TYR A 75 -3.807 19.341 -11.944 1.00 0.00 O ATOM 0 H TYR A 75 -6.377 14.855 -15.126 1.00 0.00 H new ATOM 0 HA TYR A 75 -9.011 14.593 -14.470 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -8.349 15.261 -12.225 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -7.087 14.280 -12.942 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -8.008 17.696 -11.892 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -4.907 15.245 -13.483 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -6.373 19.469 -11.432 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -3.269 17.015 -13.023 1.00 0.00 H new ATOM 0 HH TYR A 75 -2.917 19.045 -12.226 1.00 0.00 H new ATOM 1216 N LYS A 76 -10.012 16.910 -13.688 1.00 0.00 N ATOM 1217 CA LYS A 76 -10.767 18.157 -13.692 1.00 0.00 C ATOM 1218 C LYS A 76 -9.977 19.273 -13.015 1.00 0.00 C ATOM 1219 O LYS A 76 -9.996 19.406 -11.791 1.00 0.00 O ATOM 1220 CB LYS A 76 -12.110 17.967 -12.984 1.00 0.00 C ATOM 1221 CG LYS A 76 -12.022 17.111 -11.732 1.00 0.00 C ATOM 1222 CD LYS A 76 -13.108 17.471 -10.733 1.00 0.00 C ATOM 1223 CE LYS A 76 -14.393 16.705 -11.006 1.00 0.00 C ATOM 1224 NZ LYS A 76 -15.391 16.889 -9.916 1.00 0.00 N ATOM 0 H LYS A 76 -10.363 16.207 -13.037 1.00 0.00 H new ATOM 0 HA LYS A 76 -10.947 18.440 -14.729 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -12.513 18.944 -12.718 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -12.815 17.510 -13.678 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -12.110 16.059 -12.003 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -11.044 17.241 -11.270 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -12.761 17.253 -9.723 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -13.305 18.542 -10.779 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -14.821 17.040 -11.951 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -14.167 15.644 -11.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -16.253 16.351 -10.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -14.992 16.546 -9.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -15.626 17.898 -9.827 1.00 0.00 H new ATOM 1238 N SER A 77 -9.285 20.074 -13.819 1.00 0.00 N ATOM 1239 CA SER A 77 -8.487 21.178 -13.296 1.00 0.00 C ATOM 1240 C SER A 77 -9.335 22.092 -12.416 1.00 0.00 C ATOM 1241 O SER A 77 -10.312 22.682 -12.875 1.00 0.00 O ATOM 1242 CB SER A 77 -7.876 21.981 -14.446 1.00 0.00 C ATOM 1243 OG SER A 77 -7.059 21.161 -15.263 1.00 0.00 O ATOM 0 H SER A 77 -9.261 19.980 -14.834 1.00 0.00 H new ATOM 0 HA SER A 77 -7.685 20.759 -12.688 1.00 0.00 H new ATOM 0 HB2 SER A 77 -8.670 22.423 -15.048 1.00 0.00 H new ATOM 0 HB3 SER A 77 -7.285 22.804 -14.045 1.00 0.00 H new ATOM 0 HG SER A 77 -6.682 21.697 -15.991 1.00 0.00 H new ATOM 1249 N GLY A 78 -8.952 22.203 -11.148 1.00 0.00 N ATOM 1250 CA GLY A 78 -9.686 23.046 -10.222 1.00 0.00 C ATOM 1251 C GLY A 78 -8.936 23.273 -8.925 1.00 0.00 C ATOM 1252 O GLY A 78 -8.213 22.402 -8.440 1.00 0.00 O ATOM 0 H GLY A 78 -8.146 21.724 -10.745 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -9.889 24.007 -10.694 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -10.651 22.588 -10.005 1.00 0.00 H new ATOM 1256 N PRO A 79 -9.103 24.469 -8.342 1.00 0.00 N ATOM 1257 CA PRO A 79 -8.443 24.837 -7.085 1.00 0.00 C ATOM 1258 C PRO A 79 -9.000 24.068 -5.892 1.00 0.00 C ATOM 1259 O PRO A 79 -10.132 23.585 -5.926 1.00 0.00 O ATOM 1260 CB PRO A 79 -8.748 26.331 -6.948 1.00 0.00 C ATOM 1261 CG PRO A 79 -10.004 26.534 -7.723 1.00 0.00 C ATOM 1262 CD PRO A 79 -9.950 25.555 -8.864 1.00 0.00 C ATOM 0 HA PRO A 79 -7.378 24.605 -7.101 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -8.877 26.614 -5.903 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -7.935 26.939 -7.345 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -10.880 26.358 -7.099 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -10.075 27.558 -8.090 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -10.943 25.196 -9.133 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -9.521 26.005 -9.759 1.00 0.00 H new ATOM 1270 N SER A 80 -8.197 23.958 -4.838 1.00 0.00 N ATOM 1271 CA SER A 80 -8.609 23.245 -3.635 1.00 0.00 C ATOM 1272 C SER A 80 -9.613 24.067 -2.833 1.00 0.00 C ATOM 1273 O SER A 80 -9.931 25.201 -3.191 1.00 0.00 O ATOM 1274 CB SER A 80 -7.391 22.919 -2.768 1.00 0.00 C ATOM 1275 OG SER A 80 -6.839 21.662 -3.116 1.00 0.00 O ATOM 0 H SER A 80 -7.258 24.354 -4.793 1.00 0.00 H new ATOM 0 HA SER A 80 -9.089 22.315 -3.940 1.00 0.00 H new ATOM 0 HB2 SER A 80 -6.637 23.697 -2.888 1.00 0.00 H new ATOM 0 HB3 SER A 80 -7.680 22.914 -1.717 1.00 0.00 H new ATOM 0 HG SER A 80 -6.061 21.478 -2.549 1.00 0.00 H new ATOM 1281 N SER A 81 -10.110 23.486 -1.746 1.00 0.00 N ATOM 1282 CA SER A 81 -11.082 24.161 -0.894 1.00 0.00 C ATOM 1283 C SER A 81 -12.057 24.985 -1.729 1.00 0.00 C ATOM 1284 O SER A 81 -12.304 26.155 -1.441 1.00 0.00 O ATOM 1285 CB SER A 81 -10.368 25.064 0.114 1.00 0.00 C ATOM 1286 OG SER A 81 -10.074 24.361 1.309 1.00 0.00 O ATOM 0 H SER A 81 -9.855 22.549 -1.434 1.00 0.00 H new ATOM 0 HA SER A 81 -11.646 23.400 -0.355 1.00 0.00 H new ATOM 0 HB2 SER A 81 -9.445 25.445 -0.324 1.00 0.00 H new ATOM 0 HB3 SER A 81 -10.994 25.927 0.341 1.00 0.00 H new ATOM 0 HG SER A 81 -9.616 24.959 1.936 1.00 0.00 H new ATOM 1292 N GLY A 82 -12.608 24.364 -2.768 1.00 0.00 N ATOM 1293 CA GLY A 82 -13.550 25.053 -3.630 1.00 0.00 C ATOM 1294 C GLY A 82 -13.045 26.413 -4.069 1.00 0.00 C ATOM 1295 O GLY A 82 -11.915 26.791 -3.764 1.00 0.00 O ATOM 0 H GLY A 82 -12.418 23.396 -3.028 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -13.748 24.441 -4.510 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -14.498 25.173 -3.105 1.00 0.00 H new TER 1299 GLY A 82