USER MOD reduce.3.24.130724 H: found=0, std=0, add=713, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 533 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 86 ASN : amide:sc= -3.47 K(o=-10,f=-15!) USER MOD Set 1.2: A 90 HIS : no HE2:sc= -6.51! C(o=-10!,f=-12!) USER MOD Set 2.1: A 19 HIS : no HD1:sc= -11! C(o=-12!,f=-12!) USER MOD Set 2.2: A 71 TYR OH : rot -150:sc= -1.39 USER MOD Set 3.1: A 32 THR OG1 : rot -1:sc= 1.27 USER MOD Set 3.2: A 89 GLN : amide:sc= -2.89 K(o=-1.6,f=-5.1!) USER MOD Set 4.1: A 10 MET CE :methyl 172:sc= -6.18! (180deg=-5.92!) USER MOD Set 4.2: A 70 MET CE :methyl -134:sc= -0.784 (180deg=-2.03!) USER MOD Set 5.1: A 8 LYS NZ :NH3+ 175:sc= -0.557 (180deg=-0.222) USER MOD Set 5.2: A 9 GLN : amide:sc= -2.94 K(o=-3.5,f=-6.1!) USER MOD Single : A 4 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 6 THR OG1 : rot -160:sc= -0.325 USER MOD Single : A 7 SER OG : rot 28:sc= 0.0583 USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.0439 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN :FLIP amide:sc= -0.183 F(o=-0.85,f=-0.18) USER MOD Single : A 33 GLN : amide:sc= -4.79! C(o=-4.8!,f=-11!) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 HIS :FLIP no HD1:sc= -0.954 F(o=-1.7!,f=-0.95) USER MOD Single : A 42 ASN : amide:sc= -4.35 K(o=-4.4,f=-10!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0.4) USER MOD Single : A 49 SER OG : rot 150:sc= -1.73 USER MOD Single : A 53 SER OG : rot -11:sc= 0.732 USER MOD Single : A 56 THR OG1 : rot 140:sc= 0.313 USER MOD Single : A 60 ASN : amide:sc= -0.313 K(o=-0.31,f=-2.9!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.0951 USER MOD Single : A 67 SER OG : rot 135:sc= 0.0464 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= -0.839 X(o=-0.84,f=-0.49) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 31 N LEU A 3 0.844 -4.378 -7.876 1.00 0.00 N ATOM 32 CA LEU A 3 0.012 -4.685 -6.722 1.00 0.00 C ATOM 33 C LEU A 3 -1.286 -5.369 -7.133 1.00 0.00 C ATOM 34 O LEU A 3 -2.032 -4.875 -7.977 1.00 0.00 O ATOM 35 CB LEU A 3 -0.260 -3.413 -5.908 1.00 0.00 C ATOM 36 CG LEU A 3 -1.348 -2.472 -6.446 1.00 0.00 C ATOM 37 CD1 LEU A 3 -1.165 -2.218 -7.933 1.00 0.00 C ATOM 38 CD2 LEU A 3 -2.741 -3.020 -6.161 1.00 0.00 C ATOM 0 HA LEU A 3 0.556 -5.387 -6.090 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -0.535 -3.709 -4.896 1.00 0.00 H new ATOM 0 HB3 LEU A 3 0.671 -2.851 -5.834 1.00 0.00 H new ATOM 0 HG LEU A 3 -1.247 -1.520 -5.924 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -1.949 -1.549 -8.287 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -0.191 -1.760 -8.107 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -1.223 -3.163 -8.473 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -3.490 -2.332 -6.554 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -2.855 -3.992 -6.640 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -2.876 -3.128 -5.085 1.00 0.00 H new ATOM 44 N ASN A 4 -1.535 -6.527 -6.534 1.00 0.00 N ATOM 45 CA ASN A 4 -2.730 -7.304 -6.834 1.00 0.00 C ATOM 46 C ASN A 4 -3.897 -6.923 -5.926 1.00 0.00 C ATOM 47 O ASN A 4 -3.721 -6.255 -4.904 1.00 0.00 O ATOM 48 CB ASN A 4 -2.436 -8.792 -6.686 1.00 0.00 C ATOM 49 CG ASN A 4 -1.338 -9.264 -7.619 1.00 0.00 C ATOM 50 OD1 ASN A 4 -1.320 -8.918 -8.800 1.00 0.00 O ATOM 51 ND2 ASN A 4 -0.415 -10.061 -7.092 1.00 0.00 N ATOM 0 H ASN A 4 -0.923 -6.949 -5.836 1.00 0.00 H new ATOM 0 HA ASN A 4 -3.015 -7.082 -7.862 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -2.147 -9.001 -5.656 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -3.345 -9.360 -6.884 1.00 0.00 H new ATOM 0 HD21 ASN A 4 0.348 -10.411 -7.672 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -0.469 -10.323 -6.108 1.00 0.00 H new ATOM 56 N ILE A 5 -5.089 -7.362 -6.314 1.00 0.00 N ATOM 57 CA ILE A 5 -6.302 -7.083 -5.555 1.00 0.00 C ATOM 58 C ILE A 5 -7.144 -8.346 -5.397 1.00 0.00 C ATOM 59 O ILE A 5 -7.269 -9.140 -6.329 1.00 0.00 O ATOM 60 CB ILE A 5 -7.155 -5.990 -6.233 1.00 0.00 C ATOM 61 CG1 ILE A 5 -6.285 -4.819 -6.685 1.00 0.00 C ATOM 62 CG2 ILE A 5 -8.225 -5.490 -5.275 1.00 0.00 C ATOM 63 CD1 ILE A 5 -5.371 -5.114 -7.842 1.00 0.00 C ATOM 0 H ILE A 5 -5.241 -7.917 -7.156 1.00 0.00 H new ATOM 0 HA ILE A 5 -5.990 -6.727 -4.573 1.00 0.00 H new ATOM 0 HB ILE A 5 -7.630 -6.429 -7.110 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -6.935 -3.988 -6.958 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -5.681 -4.488 -5.840 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -8.820 -4.719 -5.765 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -8.871 -6.319 -4.986 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -7.751 -5.073 -4.386 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -4.796 -4.221 -8.088 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -4.690 -5.921 -7.571 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -5.963 -5.413 -8.707 1.00 0.00 H new ATOM 67 N THR A 6 -7.717 -8.531 -4.211 1.00 0.00 N ATOM 68 CA THR A 6 -8.541 -9.704 -3.934 1.00 0.00 C ATOM 69 C THR A 6 -10.025 -9.348 -3.937 1.00 0.00 C ATOM 70 O THR A 6 -10.785 -9.831 -4.776 1.00 0.00 O ATOM 71 CB THR A 6 -8.156 -10.315 -2.586 1.00 0.00 C ATOM 72 OG1 THR A 6 -6.768 -10.165 -2.346 1.00 0.00 O ATOM 73 CG2 THR A 6 -8.486 -11.788 -2.480 1.00 0.00 C ATOM 0 H THR A 6 -7.626 -7.885 -3.427 1.00 0.00 H new ATOM 0 HA THR A 6 -8.362 -10.434 -4.724 1.00 0.00 H new ATOM 0 HB THR A 6 -8.745 -9.775 -1.845 1.00 0.00 H new ATOM 0 HG1 THR A 6 -6.481 -10.812 -1.668 1.00 0.00 H new ATOM 0 HG21 THR A 6 -8.187 -12.158 -1.499 1.00 0.00 H new ATOM 0 HG22 THR A 6 -9.559 -11.931 -2.610 1.00 0.00 H new ATOM 0 HG23 THR A 6 -7.950 -12.338 -3.254 1.00 0.00 H new ATOM 78 N SER A 7 -10.427 -8.506 -2.988 1.00 0.00 N ATOM 79 CA SER A 7 -11.820 -8.076 -2.864 1.00 0.00 C ATOM 80 C SER A 7 -12.770 -9.268 -2.802 1.00 0.00 C ATOM 81 O SER A 7 -13.013 -9.937 -3.806 1.00 0.00 O ATOM 82 CB SER A 7 -12.211 -7.162 -4.024 1.00 0.00 C ATOM 83 OG SER A 7 -12.001 -7.796 -5.273 1.00 0.00 O ATOM 0 H SER A 7 -9.803 -8.105 -2.288 1.00 0.00 H new ATOM 0 HA SER A 7 -11.905 -7.521 -1.930 1.00 0.00 H new ATOM 0 HB2 SER A 7 -13.259 -6.879 -3.929 1.00 0.00 H new ATOM 0 HB3 SER A 7 -11.627 -6.243 -3.978 1.00 0.00 H new ATOM 0 HG SER A 7 -12.078 -8.767 -5.164 1.00 0.00 H new ATOM 89 N LYS A 8 -13.307 -9.526 -1.614 1.00 0.00 N ATOM 90 CA LYS A 8 -14.229 -10.639 -1.419 1.00 0.00 C ATOM 91 C LYS A 8 -15.525 -10.448 -2.211 1.00 0.00 C ATOM 92 O LYS A 8 -16.036 -11.394 -2.811 1.00 0.00 O ATOM 93 CB LYS A 8 -14.541 -10.813 0.074 1.00 0.00 C ATOM 94 CG LYS A 8 -15.667 -9.924 0.581 1.00 0.00 C ATOM 95 CD LYS A 8 -15.699 -9.875 2.100 1.00 0.00 C ATOM 96 CE LYS A 8 -17.114 -9.676 2.620 1.00 0.00 C ATOM 97 NZ LYS A 8 -17.424 -8.238 2.849 1.00 0.00 N ATOM 0 H LYS A 8 -13.120 -8.980 -0.773 1.00 0.00 H new ATOM 0 HA LYS A 8 -13.743 -11.540 -1.793 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -14.803 -11.855 0.261 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -13.639 -10.603 0.650 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -15.541 -8.916 0.186 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -16.621 -10.296 0.208 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -15.288 -10.800 2.504 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -15.063 -9.063 2.453 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -17.825 -10.091 1.906 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -17.239 -10.227 3.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -18.423 -8.137 3.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -16.818 -7.869 3.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -17.248 -7.702 1.976 1.00 0.00 H new ATOM 111 N GLN A 9 -16.063 -9.230 -2.197 1.00 0.00 N ATOM 112 CA GLN A 9 -17.309 -8.941 -2.904 1.00 0.00 C ATOM 113 C GLN A 9 -17.089 -7.997 -4.089 1.00 0.00 C ATOM 114 O GLN A 9 -16.851 -8.448 -5.209 1.00 0.00 O ATOM 115 CB GLN A 9 -18.347 -8.356 -1.940 1.00 0.00 C ATOM 116 CG GLN A 9 -17.750 -7.508 -0.827 1.00 0.00 C ATOM 117 CD GLN A 9 -18.715 -6.452 -0.325 1.00 0.00 C ATOM 118 OE1 GLN A 9 -18.933 -5.434 -0.982 1.00 0.00 O ATOM 119 NE2 GLN A 9 -19.299 -6.691 0.842 1.00 0.00 N ATOM 0 H GLN A 9 -15.659 -8.432 -1.707 1.00 0.00 H new ATOM 0 HA GLN A 9 -17.685 -9.883 -3.303 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -19.052 -7.748 -2.507 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -18.915 -9.173 -1.495 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -17.459 -8.153 0.002 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -16.843 -7.025 -1.189 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -19.088 -7.549 1.352 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -19.959 -6.017 1.229 1.00 0.00 H new ATOM 126 N MET A 10 -17.184 -6.687 -3.847 1.00 0.00 N ATOM 127 CA MET A 10 -17.010 -5.698 -4.909 1.00 0.00 C ATOM 128 C MET A 10 -15.767 -5.992 -5.743 1.00 0.00 C ATOM 129 O MET A 10 -14.640 -5.820 -5.279 1.00 0.00 O ATOM 130 CB MET A 10 -16.922 -4.288 -4.331 1.00 0.00 C ATOM 131 CG MET A 10 -15.966 -4.157 -3.160 1.00 0.00 C ATOM 132 SD MET A 10 -15.167 -2.545 -3.104 1.00 0.00 S ATOM 133 CE MET A 10 -14.859 -2.396 -1.350 1.00 0.00 C ATOM 0 H MET A 10 -17.380 -6.290 -2.928 1.00 0.00 H new ATOM 0 HA MET A 10 -17.884 -5.761 -5.557 1.00 0.00 H new ATOM 0 HB2 MET A 10 -16.610 -3.603 -5.119 1.00 0.00 H new ATOM 0 HB3 MET A 10 -17.916 -3.975 -4.011 1.00 0.00 H new ATOM 0 HG2 MET A 10 -16.510 -4.322 -2.230 1.00 0.00 H new ATOM 0 HG3 MET A 10 -15.205 -4.935 -3.227 1.00 0.00 H new ATOM 0 HE1 MET A 10 -14.242 -1.517 -1.162 1.00 0.00 H new ATOM 0 HE2 MET A 10 -15.807 -2.293 -0.822 1.00 0.00 H new ATOM 0 HE3 MET A 10 -14.340 -3.286 -0.995 1.00 0.00 H new ATOM 143 N ASP A 11 -15.981 -6.437 -6.976 1.00 0.00 N ATOM 144 CA ASP A 11 -14.877 -6.758 -7.871 1.00 0.00 C ATOM 145 C ASP A 11 -13.982 -5.544 -8.093 1.00 0.00 C ATOM 146 O ASP A 11 -14.131 -4.520 -7.425 1.00 0.00 O ATOM 147 CB ASP A 11 -15.409 -7.266 -9.212 1.00 0.00 C ATOM 148 CG ASP A 11 -16.473 -8.333 -9.046 1.00 0.00 C ATOM 149 OD1 ASP A 11 -16.124 -9.464 -8.648 1.00 0.00 O ATOM 150 OD2 ASP A 11 -17.657 -8.037 -9.313 1.00 0.00 O ATOM 0 H ASP A 11 -16.907 -6.583 -7.378 1.00 0.00 H new ATOM 0 HA ASP A 11 -14.283 -7.543 -7.403 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -15.822 -6.430 -9.776 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -14.583 -7.669 -9.798 1.00 0.00 H new ATOM 155 N ILE A 12 -13.049 -5.664 -9.033 1.00 0.00 N ATOM 156 CA ILE A 12 -12.132 -4.571 -9.338 1.00 0.00 C ATOM 157 C ILE A 12 -12.519 -3.879 -10.636 1.00 0.00 C ATOM 158 O ILE A 12 -12.909 -4.524 -11.609 1.00 0.00 O ATOM 159 CB ILE A 12 -10.657 -5.036 -9.448 1.00 0.00 C ATOM 160 CG1 ILE A 12 -10.519 -6.531 -9.142 1.00 0.00 C ATOM 161 CG2 ILE A 12 -9.772 -4.222 -8.514 1.00 0.00 C ATOM 162 CD1 ILE A 12 -10.918 -6.896 -7.730 1.00 0.00 C ATOM 0 H ILE A 12 -12.908 -6.504 -9.595 1.00 0.00 H new ATOM 0 HA ILE A 12 -12.212 -3.876 -8.502 1.00 0.00 H new ATOM 0 HB ILE A 12 -10.332 -4.872 -10.475 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -11.134 -7.096 -9.843 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -9.485 -6.834 -9.309 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -8.740 -4.561 -8.603 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -9.832 -3.167 -8.783 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -10.109 -4.354 -7.486 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -10.795 -7.969 -7.583 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -10.286 -6.358 -7.023 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -11.960 -6.624 -7.565 1.00 0.00 H new ATOM 166 N THR A 13 -12.398 -2.561 -10.640 1.00 0.00 N ATOM 167 CA THR A 13 -12.721 -1.762 -11.811 1.00 0.00 C ATOM 168 C THR A 13 -11.700 -0.637 -11.973 1.00 0.00 C ATOM 169 O THR A 13 -10.775 -0.515 -11.170 1.00 0.00 O ATOM 170 CB THR A 13 -14.142 -1.193 -11.695 1.00 0.00 C ATOM 171 OG1 THR A 13 -14.122 0.119 -11.160 1.00 0.00 O ATOM 172 CG2 THR A 13 -15.061 -2.027 -10.827 1.00 0.00 C ATOM 0 H THR A 13 -12.076 -2.019 -9.839 1.00 0.00 H new ATOM 0 HA THR A 13 -12.681 -2.398 -12.695 1.00 0.00 H new ATOM 0 HB THR A 13 -14.530 -1.198 -12.714 1.00 0.00 H new ATOM 0 HG1 THR A 13 -15.038 0.461 -11.097 1.00 0.00 H new ATOM 0 HG21 THR A 13 -16.047 -1.564 -10.791 1.00 0.00 H new ATOM 0 HG22 THR A 13 -15.146 -3.030 -11.246 1.00 0.00 H new ATOM 0 HG23 THR A 13 -14.652 -2.088 -9.818 1.00 0.00 H new ATOM 177 N PRO A 14 -11.845 0.203 -13.011 1.00 0.00 N ATOM 178 CA PRO A 14 -10.919 1.313 -13.257 1.00 0.00 C ATOM 179 C PRO A 14 -10.606 2.108 -11.993 1.00 0.00 C ATOM 180 O PRO A 14 -9.442 2.333 -11.664 1.00 0.00 O ATOM 181 CB PRO A 14 -11.677 2.177 -14.258 1.00 0.00 C ATOM 182 CG PRO A 14 -12.521 1.211 -15.015 1.00 0.00 C ATOM 183 CD PRO A 14 -12.914 0.144 -14.029 1.00 0.00 C ATOM 0 HA PRO A 14 -9.949 0.966 -13.613 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -12.286 2.927 -13.754 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -10.995 2.712 -14.919 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -13.401 1.703 -15.429 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -11.970 0.784 -15.853 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -13.894 0.341 -13.594 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -12.966 -0.838 -14.500 1.00 0.00 H new ATOM 191 N ALA A 15 -11.651 2.530 -11.286 1.00 0.00 N ATOM 192 CA ALA A 15 -11.480 3.300 -10.057 1.00 0.00 C ATOM 193 C ALA A 15 -10.538 2.587 -9.094 1.00 0.00 C ATOM 194 O ALA A 15 -9.382 2.975 -8.945 1.00 0.00 O ATOM 195 CB ALA A 15 -12.829 3.553 -9.399 1.00 0.00 C ATOM 0 H ALA A 15 -12.622 2.353 -11.542 1.00 0.00 H new ATOM 0 HA ALA A 15 -11.034 4.260 -10.315 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -12.685 4.128 -8.484 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -13.468 4.112 -10.082 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -13.301 2.600 -9.159 1.00 0.00 H new ATOM 201 N ILE A 16 -11.035 1.532 -8.454 1.00 0.00 N ATOM 202 CA ILE A 16 -10.229 0.753 -7.517 1.00 0.00 C ATOM 203 C ILE A 16 -8.865 0.428 -8.125 1.00 0.00 C ATOM 204 O ILE A 16 -7.836 0.896 -7.641 1.00 0.00 O ATOM 205 CB ILE A 16 -10.951 -0.557 -7.117 1.00 0.00 C ATOM 206 CG1 ILE A 16 -12.007 -0.281 -6.049 1.00 0.00 C ATOM 207 CG2 ILE A 16 -9.965 -1.597 -6.608 1.00 0.00 C ATOM 208 CD1 ILE A 16 -13.354 0.118 -6.612 1.00 0.00 C ATOM 0 H ILE A 16 -11.992 1.197 -8.567 1.00 0.00 H new ATOM 0 HA ILE A 16 -10.085 1.356 -6.621 1.00 0.00 H new ATOM 0 HB ILE A 16 -11.438 -0.951 -8.009 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -12.130 -1.172 -5.434 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -11.648 0.512 -5.393 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -10.503 -2.505 -6.335 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -9.241 -1.825 -7.390 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -9.444 -1.207 -5.733 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -14.052 0.298 -5.794 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -13.246 1.027 -7.203 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -13.736 -0.683 -7.245 1.00 0.00 H new ATOM 212 N ARG A 17 -8.868 -0.365 -9.198 1.00 0.00 N ATOM 213 CA ARG A 17 -7.630 -0.749 -9.878 1.00 0.00 C ATOM 214 C ARG A 17 -6.678 0.441 -9.993 1.00 0.00 C ATOM 215 O ARG A 17 -5.573 0.423 -9.450 1.00 0.00 O ATOM 216 CB ARG A 17 -7.942 -1.299 -11.271 1.00 0.00 C ATOM 217 CG ARG A 17 -6.777 -2.042 -11.906 1.00 0.00 C ATOM 218 CD ARG A 17 -7.224 -2.860 -13.107 1.00 0.00 C ATOM 219 NE ARG A 17 -6.097 -3.492 -13.787 1.00 0.00 N ATOM 220 CZ ARG A 17 -6.157 -3.983 -15.024 1.00 0.00 C ATOM 221 NH1 ARG A 17 -7.287 -3.919 -15.717 1.00 0.00 N ATOM 222 NH2 ARG A 17 -5.084 -4.539 -15.568 1.00 0.00 N ATOM 0 H ARG A 17 -9.714 -0.754 -9.615 1.00 0.00 H new ATOM 0 HA ARG A 17 -7.145 -1.524 -9.285 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -8.798 -1.971 -11.204 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -8.234 -0.474 -11.921 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -6.014 -1.328 -12.215 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -6.318 -2.699 -11.168 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -7.928 -3.626 -12.782 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -7.755 -2.216 -13.807 1.00 0.00 H new ATOM 0 HE ARG A 17 -5.212 -3.562 -13.285 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -8.116 -3.492 -15.303 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -7.327 -4.297 -16.664 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -4.213 -4.591 -15.040 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -5.129 -4.915 -16.515 1.00 0.00 H new ATOM 236 N GLU A 18 -7.122 1.480 -10.697 1.00 0.00 N ATOM 237 CA GLU A 18 -6.319 2.684 -10.878 1.00 0.00 C ATOM 238 C GLU A 18 -5.930 3.282 -9.530 1.00 0.00 C ATOM 239 O GLU A 18 -4.811 3.763 -9.352 1.00 0.00 O ATOM 240 CB GLU A 18 -7.087 3.715 -11.706 1.00 0.00 C ATOM 241 CG GLU A 18 -6.268 4.948 -12.055 1.00 0.00 C ATOM 242 CD GLU A 18 -7.020 6.240 -11.799 1.00 0.00 C ATOM 243 OE1 GLU A 18 -7.686 6.342 -10.747 1.00 0.00 O ATOM 244 OE2 GLU A 18 -6.944 7.150 -12.651 1.00 0.00 O ATOM 0 H GLU A 18 -8.035 1.511 -11.151 1.00 0.00 H new ATOM 0 HA GLU A 18 -5.408 2.409 -11.410 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -7.431 3.245 -12.627 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -7.975 4.023 -11.154 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -5.348 4.946 -11.471 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -5.979 4.902 -13.105 1.00 0.00 H new ATOM 251 N HIS A 19 -6.858 3.234 -8.578 1.00 0.00 N ATOM 252 CA HIS A 19 -6.611 3.753 -7.244 1.00 0.00 C ATOM 253 C HIS A 19 -5.480 2.970 -6.593 1.00 0.00 C ATOM 254 O HIS A 19 -4.379 3.486 -6.401 1.00 0.00 O ATOM 255 CB HIS A 19 -7.887 3.638 -6.415 1.00 0.00 C ATOM 256 CG HIS A 19 -7.942 4.542 -5.238 1.00 0.00 C ATOM 257 ND1 HIS A 19 -7.353 5.787 -5.192 1.00 0.00 N ATOM 258 CD2 HIS A 19 -8.550 4.366 -4.057 1.00 0.00 C ATOM 259 CE1 HIS A 19 -7.603 6.340 -4.018 1.00 0.00 C ATOM 260 NE2 HIS A 19 -8.330 5.495 -3.308 1.00 0.00 N ATOM 0 H HIS A 19 -7.789 2.839 -8.710 1.00 0.00 H new ATOM 0 HA HIS A 19 -6.320 4.802 -7.302 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -8.742 3.847 -7.058 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -7.990 2.609 -6.071 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -9.111 3.495 -3.751 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -7.270 7.315 -3.694 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -8.671 5.655 -2.360 1.00 0.00 H new ATOM 269 N LEU A 20 -5.760 1.708 -6.282 1.00 0.00 N ATOM 270 CA LEU A 20 -4.773 0.815 -5.678 1.00 0.00 C ATOM 271 C LEU A 20 -3.433 0.930 -6.398 1.00 0.00 C ATOM 272 O LEU A 20 -2.391 1.134 -5.770 1.00 0.00 O ATOM 273 CB LEU A 20 -5.273 -0.626 -5.729 1.00 0.00 C ATOM 274 CG LEU A 20 -6.777 -0.786 -5.487 1.00 0.00 C ATOM 275 CD1 LEU A 20 -7.205 -2.235 -5.586 1.00 0.00 C ATOM 276 CD2 LEU A 20 -7.159 -0.203 -4.140 1.00 0.00 C ATOM 0 H LEU A 20 -6.671 1.276 -6.440 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.632 1.107 -4.637 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -5.028 -1.048 -6.704 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.734 -1.211 -4.984 1.00 0.00 H new ATOM 0 HG LEU A 20 -7.302 -0.236 -6.268 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -8.278 -2.310 -5.409 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -6.974 -2.615 -6.581 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -6.672 -2.824 -4.840 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -8.231 -0.324 -3.982 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -6.615 -0.722 -3.351 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -6.906 0.857 -4.117 1.00 0.00 H new ATOM 282 N GLU A 21 -3.470 0.820 -7.725 1.00 0.00 N ATOM 283 CA GLU A 21 -2.259 0.934 -8.530 1.00 0.00 C ATOM 284 C GLU A 21 -1.579 2.266 -8.248 1.00 0.00 C ATOM 285 O GLU A 21 -0.423 2.309 -7.823 1.00 0.00 O ATOM 286 CB GLU A 21 -2.590 0.808 -10.018 1.00 0.00 C ATOM 287 CG GLU A 21 -3.006 -0.594 -10.431 1.00 0.00 C ATOM 288 CD GLU A 21 -3.272 -0.709 -11.921 1.00 0.00 C ATOM 289 OE1 GLU A 21 -3.627 0.316 -12.540 1.00 0.00 O ATOM 290 OE2 GLU A 21 -3.124 -1.823 -12.466 1.00 0.00 O ATOM 0 H GLU A 21 -4.321 0.653 -8.261 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.580 0.125 -8.263 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -3.393 1.503 -10.263 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -1.720 1.107 -10.602 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -2.223 -1.299 -10.150 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -3.904 -0.879 -9.882 1.00 0.00 H new ATOM 297 N GLU A 22 -2.313 3.355 -8.463 1.00 0.00 N ATOM 298 CA GLU A 22 -1.786 4.689 -8.205 1.00 0.00 C ATOM 299 C GLU A 22 -1.240 4.766 -6.782 1.00 0.00 C ATOM 300 O GLU A 22 -0.228 5.419 -6.526 1.00 0.00 O ATOM 301 CB GLU A 22 -2.876 5.745 -8.407 1.00 0.00 C ATOM 302 CG GLU A 22 -3.106 6.109 -9.864 1.00 0.00 C ATOM 303 CD GLU A 22 -3.078 7.606 -10.104 1.00 0.00 C ATOM 304 OE1 GLU A 22 -4.130 8.255 -9.931 1.00 0.00 O ATOM 305 OE2 GLU A 22 -2.003 8.129 -10.466 1.00 0.00 O ATOM 0 H GLU A 22 -3.271 3.339 -8.814 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.978 4.887 -8.909 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -3.810 5.378 -7.981 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -2.606 6.645 -7.854 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.342 5.632 -10.478 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -4.068 5.711 -10.186 1.00 0.00 H new ATOM 312 N ARG A 23 -1.910 4.071 -5.862 1.00 0.00 N ATOM 313 CA ARG A 23 -1.480 4.041 -4.467 1.00 0.00 C ATOM 314 C ARG A 23 -0.104 3.402 -4.370 1.00 0.00 C ATOM 315 O ARG A 23 0.829 3.994 -3.827 1.00 0.00 O ATOM 316 CB ARG A 23 -2.476 3.274 -3.591 1.00 0.00 C ATOM 317 CG ARG A 23 -2.676 3.904 -2.223 1.00 0.00 C ATOM 318 CD ARG A 23 -1.402 3.866 -1.393 1.00 0.00 C ATOM 319 NE ARG A 23 -1.508 2.939 -0.268 1.00 0.00 N ATOM 320 CZ ARG A 23 -1.172 1.652 -0.329 1.00 0.00 C ATOM 321 NH1 ARG A 23 -0.715 1.126 -1.459 1.00 0.00 N ATOM 322 NH2 ARG A 23 -1.294 0.885 0.746 1.00 0.00 N ATOM 0 H ARG A 23 -2.748 3.524 -6.058 1.00 0.00 H new ATOM 0 HA ARG A 23 -1.435 5.067 -4.102 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -3.436 3.222 -4.104 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -2.126 2.250 -3.465 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -3.001 4.937 -2.343 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -3.471 3.379 -1.693 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -0.565 3.572 -2.027 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -1.183 4.866 -1.019 1.00 0.00 H new ATOM 0 HE ARG A 23 -1.861 3.300 0.618 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -0.619 1.709 -2.290 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -0.460 0.139 -1.496 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -1.645 1.281 1.618 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -1.037 -0.101 0.701 1.00 0.00 H new ATOM 336 N LEU A 24 0.027 2.195 -4.918 1.00 0.00 N ATOM 337 CA LEU A 24 1.305 1.496 -4.904 1.00 0.00 C ATOM 338 C LEU A 24 2.368 2.357 -5.572 1.00 0.00 C ATOM 339 O LEU A 24 3.453 2.566 -5.025 1.00 0.00 O ATOM 340 CB LEU A 24 1.197 0.148 -5.619 1.00 0.00 C ATOM 341 CG LEU A 24 2.361 -0.810 -5.361 1.00 0.00 C ATOM 342 CD1 LEU A 24 2.061 -1.706 -4.168 1.00 0.00 C ATOM 343 CD2 LEU A 24 2.653 -1.644 -6.600 1.00 0.00 C ATOM 0 H LEU A 24 -0.731 1.686 -5.373 1.00 0.00 H new ATOM 0 HA LEU A 24 1.587 1.310 -3.868 1.00 0.00 H new ATOM 0 HB2 LEU A 24 0.271 -0.337 -5.312 1.00 0.00 H new ATOM 0 HB3 LEU A 24 1.123 0.327 -6.692 1.00 0.00 H new ATOM 0 HG LEU A 24 3.248 -0.219 -5.131 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.900 -2.381 -4.000 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.906 -1.091 -3.281 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.162 -2.288 -4.368 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.484 -2.319 -6.397 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.769 -2.225 -6.864 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.915 -0.986 -7.428 1.00 0.00 H new ATOM 349 N ALA A 25 2.034 2.877 -6.751 1.00 0.00 N ATOM 350 CA ALA A 25 2.947 3.743 -7.485 1.00 0.00 C ATOM 351 C ALA A 25 3.329 4.939 -6.623 1.00 0.00 C ATOM 352 O ALA A 25 4.443 5.454 -6.709 1.00 0.00 O ATOM 353 CB ALA A 25 2.315 4.202 -8.789 1.00 0.00 C ATOM 0 H ALA A 25 1.141 2.713 -7.215 1.00 0.00 H new ATOM 0 HA ALA A 25 3.849 3.181 -7.727 1.00 0.00 H new ATOM 0 HB1 ALA A 25 3.012 4.848 -9.323 1.00 0.00 H new ATOM 0 HB2 ALA A 25 2.080 3.334 -9.405 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.400 4.754 -8.575 1.00 0.00 H new ATOM 359 N LYS A 26 2.394 5.361 -5.775 1.00 0.00 N ATOM 360 CA LYS A 26 2.626 6.479 -4.874 1.00 0.00 C ATOM 361 C LYS A 26 3.532 6.045 -3.729 1.00 0.00 C ATOM 362 O LYS A 26 4.430 6.781 -3.321 1.00 0.00 O ATOM 363 CB LYS A 26 1.299 7.008 -4.325 1.00 0.00 C ATOM 364 CG LYS A 26 1.407 8.391 -3.701 1.00 0.00 C ATOM 365 CD LYS A 26 0.800 9.458 -4.598 1.00 0.00 C ATOM 366 CE LYS A 26 0.665 10.787 -3.872 1.00 0.00 C ATOM 367 NZ LYS A 26 -0.735 11.040 -3.432 1.00 0.00 N ATOM 0 H LYS A 26 1.467 4.942 -5.696 1.00 0.00 H new ATOM 0 HA LYS A 26 3.114 7.280 -5.429 1.00 0.00 H new ATOM 0 HB2 LYS A 26 0.568 7.039 -5.133 1.00 0.00 H new ATOM 0 HB3 LYS A 26 0.920 6.310 -3.578 1.00 0.00 H new ATOM 0 HG2 LYS A 26 0.901 8.396 -2.735 1.00 0.00 H new ATOM 0 HG3 LYS A 26 2.455 8.625 -3.513 1.00 0.00 H new ATOM 0 HD2 LYS A 26 1.423 9.588 -5.483 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -0.180 9.130 -4.943 1.00 0.00 H new ATOM 0 HE2 LYS A 26 1.325 10.796 -3.005 1.00 0.00 H new ATOM 0 HE3 LYS A 26 0.991 11.594 -4.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -0.785 11.956 -2.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -1.362 11.057 -4.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -1.038 10.284 -2.785 1.00 0.00 H new ATOM 381 N LEU A 27 3.299 4.834 -3.226 1.00 0.00 N ATOM 382 CA LEU A 27 4.110 4.295 -2.140 1.00 0.00 C ATOM 383 C LEU A 27 5.486 3.876 -2.653 1.00 0.00 C ATOM 384 O LEU A 27 6.385 3.580 -1.870 1.00 0.00 O ATOM 385 CB LEU A 27 3.403 3.110 -1.464 1.00 0.00 C ATOM 386 CG LEU A 27 2.659 3.454 -0.168 1.00 0.00 C ATOM 387 CD1 LEU A 27 2.176 2.188 0.522 1.00 0.00 C ATOM 388 CD2 LEU A 27 3.548 4.267 0.768 1.00 0.00 C ATOM 0 H LEU A 27 2.559 4.212 -3.552 1.00 0.00 H new ATOM 0 HA LEU A 27 4.244 5.080 -1.396 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.693 2.679 -2.170 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.143 2.340 -1.247 1.00 0.00 H new ATOM 0 HG LEU A 27 1.791 4.061 -0.425 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.650 2.452 1.440 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.500 1.648 -0.141 1.00 0.00 H new ATOM 0 HD13 LEU A 27 3.031 1.556 0.762 1.00 0.00 H new ATOM 0 HD21 LEU A 27 2.999 4.499 1.681 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.438 3.689 1.017 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.843 5.194 0.276 1.00 0.00 H new ATOM 394 N GLY A 28 5.652 3.870 -3.977 1.00 0.00 N ATOM 395 CA GLY A 28 6.930 3.506 -4.556 1.00 0.00 C ATOM 396 C GLY A 28 8.027 4.466 -4.143 1.00 0.00 C ATOM 397 O GLY A 28 9.182 4.073 -3.977 1.00 0.00 O ATOM 0 H GLY A 28 4.926 4.110 -4.652 1.00 0.00 H new ATOM 0 HA2 GLY A 28 7.195 2.495 -4.246 1.00 0.00 H new ATOM 0 HA3 GLY A 28 6.847 3.494 -5.643 1.00 0.00 H new ATOM 401 N LYS A 29 7.657 5.731 -3.967 1.00 0.00 N ATOM 402 CA LYS A 29 8.603 6.762 -3.557 1.00 0.00 C ATOM 403 C LYS A 29 9.134 6.470 -2.156 1.00 0.00 C ATOM 404 O LYS A 29 10.249 6.860 -1.808 1.00 0.00 O ATOM 405 CB LYS A 29 7.925 8.136 -3.588 1.00 0.00 C ATOM 406 CG LYS A 29 8.777 9.261 -3.016 1.00 0.00 C ATOM 407 CD LYS A 29 7.914 10.403 -2.497 1.00 0.00 C ATOM 408 CE LYS A 29 7.890 10.441 -0.975 1.00 0.00 C ATOM 409 NZ LYS A 29 8.627 11.618 -0.438 1.00 0.00 N ATOM 0 H LYS A 29 6.704 6.067 -4.103 1.00 0.00 H new ATOM 0 HA LYS A 29 9.442 6.764 -4.253 1.00 0.00 H new ATOM 0 HB2 LYS A 29 7.666 8.379 -4.619 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.991 8.081 -3.029 1.00 0.00 H new ATOM 0 HG2 LYS A 29 9.397 8.875 -2.207 1.00 0.00 H new ATOM 0 HG3 LYS A 29 9.453 9.634 -3.785 1.00 0.00 H new ATOM 0 HD2 LYS A 29 8.295 11.350 -2.879 1.00 0.00 H new ATOM 0 HD3 LYS A 29 6.898 10.292 -2.875 1.00 0.00 H new ATOM 0 HE2 LYS A 29 6.857 10.471 -0.629 1.00 0.00 H new ATOM 0 HE3 LYS A 29 8.332 9.525 -0.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 8.587 11.608 0.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 9.619 11.577 -0.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 8.190 12.493 -0.792 1.00 0.00 H new ATOM 423 N TRP A 30 8.325 5.782 -1.361 1.00 0.00 N ATOM 424 CA TRP A 30 8.698 5.433 -0.002 1.00 0.00 C ATOM 425 C TRP A 30 9.802 4.386 0.004 1.00 0.00 C ATOM 426 O TRP A 30 9.524 3.199 -0.147 1.00 0.00 O ATOM 427 CB TRP A 30 7.477 4.914 0.752 1.00 0.00 C ATOM 428 CG TRP A 30 6.563 6.003 1.217 1.00 0.00 C ATOM 429 CD1 TRP A 30 5.606 6.650 0.490 1.00 0.00 C ATOM 430 CD2 TRP A 30 6.533 6.577 2.521 1.00 0.00 C ATOM 431 NE1 TRP A 30 4.979 7.592 1.273 1.00 0.00 N ATOM 432 CE2 TRP A 30 5.535 7.566 2.526 1.00 0.00 C ATOM 433 CE3 TRP A 30 7.258 6.344 3.684 1.00 0.00 C ATOM 434 CZ2 TRP A 30 5.246 8.321 3.661 1.00 0.00 C ATOM 435 CZ3 TRP A 30 6.975 7.093 4.806 1.00 0.00 C ATOM 436 CH2 TRP A 30 5.976 8.071 4.788 1.00 0.00 C ATOM 0 H TRP A 30 7.400 5.454 -1.639 1.00 0.00 H new ATOM 0 HA TRP A 30 9.074 6.327 0.495 1.00 0.00 H new ATOM 0 HB2 TRP A 30 6.922 4.234 0.106 1.00 0.00 H new ATOM 0 HB3 TRP A 30 7.809 4.335 1.614 1.00 0.00 H new ATOM 0 HD1 TRP A 30 5.375 6.452 -0.546 1.00 0.00 H new ATOM 0 HE1 TRP A 30 4.225 8.208 0.971 1.00 0.00 H new ATOM 0 HE3 TRP A 30 8.030 5.589 3.708 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 4.474 9.076 3.650 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 7.534 6.922 5.714 1.00 0.00 H new ATOM 0 HH2 TRP A 30 5.777 8.641 5.684 1.00 0.00 H new ATOM 447 N GLN A 31 11.052 4.843 0.168 1.00 0.00 N ATOM 448 CA GLN A 31 12.231 3.961 0.188 1.00 0.00 C ATOM 449 C GLN A 31 11.890 2.561 0.692 1.00 0.00 C ATOM 450 O GLN A 31 12.167 2.214 1.841 1.00 0.00 O ATOM 451 CB GLN A 31 13.355 4.555 1.050 1.00 0.00 C ATOM 452 CG GLN A 31 12.884 5.466 2.176 1.00 0.00 C ATOM 453 CD GLN A 31 13.673 6.761 2.250 1.00 0.00 C ATOM 454 OE1 GLN A 31 13.981 7.339 1.093 1.00 0.00 O flip ATOM 455 NE2 GLN A 31 14.001 7.239 3.335 1.00 0.00 N flip ATOM 0 H GLN A 31 11.275 5.831 0.290 1.00 0.00 H new ATOM 0 HA GLN A 31 12.574 3.880 -0.843 1.00 0.00 H new ATOM 0 HB2 GLN A 31 13.934 3.738 1.481 1.00 0.00 H new ATOM 0 HB3 GLN A 31 14.030 5.118 0.405 1.00 0.00 H new ATOM 0 HG2 GLN A 31 11.828 5.696 2.034 1.00 0.00 H new ATOM 0 HG3 GLN A 31 12.970 4.938 3.126 1.00 0.00 H new ATOM 0 HE21 GLN A 31 13.745 6.764 4.200 1.00 0.00 H new ATOM 0 HE22 GLN A 31 14.529 8.111 3.369 1.00 0.00 H new ATOM 462 N THR A 32 11.272 1.772 -0.175 1.00 0.00 N ATOM 463 CA THR A 32 10.869 0.424 0.160 1.00 0.00 C ATOM 464 C THR A 32 10.671 -0.394 -1.115 1.00 0.00 C ATOM 465 O THR A 32 10.558 0.159 -2.209 1.00 0.00 O ATOM 466 CB THR A 32 9.574 0.476 0.979 1.00 0.00 C ATOM 467 OG1 THR A 32 9.834 0.938 2.292 1.00 0.00 O ATOM 468 CG2 THR A 32 8.867 -0.854 1.100 1.00 0.00 C ATOM 0 H THR A 32 11.039 2.052 -1.127 1.00 0.00 H new ATOM 0 HA THR A 32 11.646 -0.057 0.754 1.00 0.00 H new ATOM 0 HB THR A 32 8.924 1.158 0.430 1.00 0.00 H new ATOM 0 HG1 THR A 32 10.795 1.102 2.397 1.00 0.00 H new ATOM 0 HG21 THR A 32 7.961 -0.732 1.694 1.00 0.00 H new ATOM 0 HG22 THR A 32 8.604 -1.218 0.107 1.00 0.00 H new ATOM 0 HG23 THR A 32 9.526 -1.573 1.587 1.00 0.00 H new ATOM 473 N GLN A 33 10.611 -1.707 -0.961 1.00 0.00 N ATOM 474 CA GLN A 33 10.403 -2.605 -2.085 1.00 0.00 C ATOM 475 C GLN A 33 9.248 -3.523 -1.765 1.00 0.00 C ATOM 476 O GLN A 33 9.412 -4.557 -1.117 1.00 0.00 O ATOM 477 CB GLN A 33 11.657 -3.420 -2.392 1.00 0.00 C ATOM 478 CG GLN A 33 12.458 -3.814 -1.163 1.00 0.00 C ATOM 479 CD GLN A 33 13.422 -2.724 -0.725 1.00 0.00 C ATOM 480 OE1 GLN A 33 13.167 -1.538 -0.931 1.00 0.00 O ATOM 481 NE2 GLN A 33 14.538 -3.119 -0.122 1.00 0.00 N ATOM 0 H GLN A 33 10.704 -2.177 -0.061 1.00 0.00 H new ATOM 0 HA GLN A 33 10.178 -2.012 -2.972 1.00 0.00 H new ATOM 0 HB2 GLN A 33 11.368 -4.324 -2.929 1.00 0.00 H new ATOM 0 HB3 GLN A 33 12.297 -2.844 -3.060 1.00 0.00 H new ATOM 0 HG2 GLN A 33 11.775 -4.041 -0.345 1.00 0.00 H new ATOM 0 HG3 GLN A 33 13.017 -4.726 -1.374 1.00 0.00 H new ATOM 0 HE21 GLN A 33 14.711 -4.113 0.030 1.00 0.00 H new ATOM 0 HE22 GLN A 33 15.221 -2.429 0.189 1.00 0.00 H new ATOM 488 N LEU A 34 8.072 -3.111 -2.190 1.00 0.00 N ATOM 489 CA LEU A 34 6.861 -3.856 -1.924 1.00 0.00 C ATOM 490 C LEU A 34 6.980 -5.312 -2.351 1.00 0.00 C ATOM 491 O LEU A 34 6.692 -5.662 -3.496 1.00 0.00 O ATOM 492 CB LEU A 34 5.672 -3.196 -2.620 1.00 0.00 C ATOM 493 CG LEU A 34 5.568 -1.674 -2.451 1.00 0.00 C ATOM 494 CD1 LEU A 34 6.245 -1.211 -1.165 1.00 0.00 C ATOM 495 CD2 LEU A 34 6.170 -0.968 -3.656 1.00 0.00 C ATOM 0 H LEU A 34 7.930 -2.255 -2.726 1.00 0.00 H new ATOM 0 HA LEU A 34 6.700 -3.845 -0.846 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.725 -3.423 -3.685 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.755 -3.649 -2.243 1.00 0.00 H new ATOM 0 HG LEU A 34 4.512 -1.413 -2.382 1.00 0.00 H new ATOM 0 HD11 LEU A 34 6.154 -0.129 -1.075 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.766 -1.688 -0.310 1.00 0.00 H new ATOM 0 HD13 LEU A 34 7.300 -1.485 -1.190 1.00 0.00 H new ATOM 0 HD21 LEU A 34 6.090 0.111 -3.523 1.00 0.00 H new ATOM 0 HD22 LEU A 34 7.220 -1.245 -3.753 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.632 -1.264 -4.557 1.00 0.00 H new ATOM 501 N ILE A 35 7.389 -6.157 -1.415 1.00 0.00 N ATOM 502 CA ILE A 35 7.527 -7.579 -1.679 1.00 0.00 C ATOM 503 C ILE A 35 6.157 -8.203 -1.916 1.00 0.00 C ATOM 504 O ILE A 35 5.465 -8.584 -0.972 1.00 0.00 O ATOM 505 CB ILE A 35 8.225 -8.295 -0.511 1.00 0.00 C ATOM 506 CG1 ILE A 35 9.678 -7.824 -0.413 1.00 0.00 C ATOM 507 CG2 ILE A 35 8.151 -9.810 -0.686 1.00 0.00 C ATOM 508 CD1 ILE A 35 10.528 -8.692 0.479 1.00 0.00 C ATOM 0 H ILE A 35 7.631 -5.880 -0.464 1.00 0.00 H new ATOM 0 HA ILE A 35 8.141 -7.697 -2.572 1.00 0.00 H new ATOM 0 HB ILE A 35 7.713 -8.044 0.418 1.00 0.00 H new ATOM 0 HG12 ILE A 35 10.114 -7.804 -1.412 1.00 0.00 H new ATOM 0 HG13 ILE A 35 9.696 -6.801 -0.037 1.00 0.00 H new ATOM 0 HG21 ILE A 35 8.651 -10.298 0.151 1.00 0.00 H new ATOM 0 HG22 ILE A 35 7.107 -10.122 -0.717 1.00 0.00 H new ATOM 0 HG23 ILE A 35 8.642 -10.093 -1.617 1.00 0.00 H new ATOM 0 HD11 ILE A 35 11.546 -8.302 0.504 1.00 0.00 H new ATOM 0 HD12 ILE A 35 10.115 -8.692 1.488 1.00 0.00 H new ATOM 0 HD13 ILE A 35 10.539 -9.711 0.092 1.00 0.00 H new ATOM 512 N SER A 36 5.768 -8.295 -3.182 1.00 0.00 N ATOM 513 CA SER A 36 4.473 -8.866 -3.540 1.00 0.00 C ATOM 514 C SER A 36 3.344 -8.151 -2.799 1.00 0.00 C ATOM 515 O SER A 36 3.002 -8.502 -1.670 1.00 0.00 O ATOM 516 CB SER A 36 4.458 -10.361 -3.222 1.00 0.00 C ATOM 517 OG SER A 36 3.888 -11.106 -4.284 1.00 0.00 O ATOM 0 H SER A 36 6.327 -7.983 -3.976 1.00 0.00 H new ATOM 0 HA SER A 36 4.315 -8.730 -4.610 1.00 0.00 H new ATOM 0 HB2 SER A 36 5.475 -10.706 -3.037 1.00 0.00 H new ATOM 0 HB3 SER A 36 3.891 -10.535 -2.307 1.00 0.00 H new ATOM 0 HG SER A 36 3.893 -12.059 -4.055 1.00 0.00 H new ATOM 523 N PRO A 37 2.770 -7.117 -3.433 1.00 0.00 N ATOM 524 CA PRO A 37 1.698 -6.314 -2.863 1.00 0.00 C ATOM 525 C PRO A 37 0.296 -6.792 -3.239 1.00 0.00 C ATOM 526 O PRO A 37 0.039 -7.189 -4.377 1.00 0.00 O ATOM 527 CB PRO A 37 1.960 -4.934 -3.472 1.00 0.00 C ATOM 528 CG PRO A 37 2.778 -5.170 -4.712 1.00 0.00 C ATOM 529 CD PRO A 37 3.143 -6.628 -4.759 1.00 0.00 C ATOM 0 HA PRO A 37 1.708 -6.353 -1.774 1.00 0.00 H new ATOM 0 HB2 PRO A 37 1.024 -4.431 -3.713 1.00 0.00 H new ATOM 0 HB3 PRO A 37 2.494 -4.294 -2.770 1.00 0.00 H new ATOM 0 HG2 PRO A 37 2.212 -4.890 -5.601 1.00 0.00 H new ATOM 0 HG3 PRO A 37 3.676 -4.553 -4.699 1.00 0.00 H new ATOM 0 HD2 PRO A 37 2.602 -7.152 -5.547 1.00 0.00 H new ATOM 0 HD3 PRO A 37 4.206 -6.769 -4.954 1.00 0.00 H new ATOM 537 N HIS A 38 -0.612 -6.717 -2.268 1.00 0.00 N ATOM 538 CA HIS A 38 -2.003 -7.105 -2.464 1.00 0.00 C ATOM 539 C HIS A 38 -2.921 -6.046 -1.893 1.00 0.00 C ATOM 540 O HIS A 38 -2.479 -5.123 -1.210 1.00 0.00 O ATOM 541 CB HIS A 38 -2.310 -8.429 -1.773 1.00 0.00 C ATOM 542 CG HIS A 38 -2.472 -9.582 -2.704 1.00 0.00 C ATOM 543 ND1 HIS A 38 -3.364 -9.802 -3.697 1.00 0.00 N flip ATOM 544 CD2 HIS A 38 -1.675 -10.701 -2.650 1.00 0.00 C flip ATOM 545 CE1 HIS A 38 -3.093 -11.043 -4.218 1.00 0.00 C flip ATOM 546 NE2 HIS A 38 -2.071 -11.565 -3.568 1.00 0.00 N flip ATOM 0 H HIS A 38 -0.403 -6.386 -1.326 1.00 0.00 H new ATOM 0 HA HIS A 38 -2.166 -7.213 -3.536 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -1.507 -8.654 -1.071 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -3.223 -8.318 -1.188 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -0.854 -10.850 -1.965 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -3.629 -11.515 -5.028 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -1.657 -12.480 -3.744 1.00 0.00 H new ATOM 555 N PHE A 39 -4.203 -6.202 -2.156 1.00 0.00 N ATOM 556 CA PHE A 39 -5.191 -5.274 -1.643 1.00 0.00 C ATOM 557 C PHE A 39 -6.542 -5.955 -1.461 1.00 0.00 C ATOM 558 O PHE A 39 -7.260 -6.202 -2.426 1.00 0.00 O ATOM 559 CB PHE A 39 -5.309 -4.061 -2.555 1.00 0.00 C ATOM 560 CG PHE A 39 -4.809 -2.796 -1.918 1.00 0.00 C ATOM 561 CD1 PHE A 39 -3.454 -2.509 -1.872 1.00 0.00 C ATOM 562 CD2 PHE A 39 -5.700 -1.897 -1.354 1.00 0.00 C ATOM 563 CE1 PHE A 39 -2.999 -1.347 -1.276 1.00 0.00 C ATOM 564 CE2 PHE A 39 -5.251 -0.736 -0.758 1.00 0.00 C ATOM 565 CZ PHE A 39 -3.900 -0.459 -0.718 1.00 0.00 C ATOM 0 H PHE A 39 -4.585 -6.961 -2.721 1.00 0.00 H new ATOM 0 HA PHE A 39 -4.859 -4.933 -0.663 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -4.748 -4.246 -3.471 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -6.352 -3.929 -2.842 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -2.746 -3.200 -2.306 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -6.759 -2.107 -1.381 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -1.941 -1.133 -1.246 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -5.957 -0.044 -0.323 1.00 0.00 H new ATOM 0 HZ PHE A 39 -3.547 0.449 -0.252 1.00 0.00 H new ATOM 575 N VAL A 40 -6.884 -6.256 -0.213 1.00 0.00 N ATOM 576 CA VAL A 40 -8.143 -6.904 0.096 1.00 0.00 C ATOM 577 C VAL A 40 -9.174 -5.868 0.538 1.00 0.00 C ATOM 578 O VAL A 40 -9.239 -5.500 1.711 1.00 0.00 O ATOM 579 CB VAL A 40 -7.949 -7.964 1.196 1.00 0.00 C ATOM 580 CG1 VAL A 40 -9.285 -8.523 1.646 1.00 0.00 C ATOM 581 CG2 VAL A 40 -7.027 -9.078 0.708 1.00 0.00 C ATOM 0 H VAL A 40 -6.301 -6.059 0.600 1.00 0.00 H new ATOM 0 HA VAL A 40 -8.506 -7.401 -0.803 1.00 0.00 H new ATOM 0 HB VAL A 40 -7.479 -7.486 2.056 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -9.124 -9.270 2.423 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -9.903 -7.716 2.041 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -9.790 -8.985 0.798 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -6.901 -9.818 1.498 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -7.465 -9.554 -0.169 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -6.056 -8.658 0.446 1.00 0.00 H new ATOM 585 N LEU A 41 -9.967 -5.390 -0.417 1.00 0.00 N ATOM 586 CA LEU A 41 -10.985 -4.381 -0.140 1.00 0.00 C ATOM 587 C LEU A 41 -12.377 -4.989 -0.062 1.00 0.00 C ATOM 588 O LEU A 41 -12.673 -5.980 -0.725 1.00 0.00 O ATOM 589 CB LEU A 41 -10.967 -3.302 -1.223 1.00 0.00 C ATOM 590 CG LEU A 41 -11.218 -3.809 -2.645 1.00 0.00 C ATOM 591 CD1 LEU A 41 -12.044 -2.809 -3.436 1.00 0.00 C ATOM 592 CD2 LEU A 41 -9.904 -4.075 -3.352 1.00 0.00 C ATOM 0 H LEU A 41 -9.924 -5.686 -1.392 1.00 0.00 H new ATOM 0 HA LEU A 41 -10.749 -3.940 0.829 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -11.722 -2.554 -0.982 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -10.000 -2.799 -1.198 1.00 0.00 H new ATOM 0 HG LEU A 41 -11.777 -4.743 -2.579 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -12.210 -3.190 -4.444 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -13.004 -2.659 -2.942 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -11.511 -1.860 -3.491 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -10.101 -4.435 -4.362 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -9.324 -3.153 -3.402 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -9.341 -4.828 -2.802 1.00 0.00 H new ATOM 598 N ASN A 42 -13.235 -4.375 0.743 1.00 0.00 N ATOM 599 CA ASN A 42 -14.604 -4.843 0.896 1.00 0.00 C ATOM 600 C ASN A 42 -15.546 -3.694 1.226 1.00 0.00 C ATOM 601 O ASN A 42 -15.127 -2.622 1.663 1.00 0.00 O ATOM 602 CB ASN A 42 -14.693 -5.915 1.978 1.00 0.00 C ATOM 603 CG ASN A 42 -13.757 -7.075 1.716 1.00 0.00 C ATOM 604 OD1 ASN A 42 -13.793 -7.686 0.649 1.00 0.00 O ATOM 605 ND2 ASN A 42 -12.912 -7.383 2.686 1.00 0.00 N ATOM 0 H ASN A 42 -13.006 -3.552 1.300 1.00 0.00 H new ATOM 0 HA ASN A 42 -14.910 -5.277 -0.056 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -14.457 -5.472 2.945 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -15.717 -6.284 2.038 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -12.256 -8.154 2.565 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -12.917 -6.849 3.555 1.00 0.00 H new ATOM 610 N LYS A 43 -16.827 -3.937 1.009 1.00 0.00 N ATOM 611 CA LYS A 43 -17.860 -2.943 1.267 1.00 0.00 C ATOM 612 C LYS A 43 -18.860 -3.478 2.283 1.00 0.00 C ATOM 613 O LYS A 43 -19.006 -4.689 2.439 1.00 0.00 O ATOM 614 CB LYS A 43 -18.595 -2.604 -0.035 1.00 0.00 C ATOM 615 CG LYS A 43 -20.114 -2.587 0.110 1.00 0.00 C ATOM 616 CD LYS A 43 -20.795 -2.106 -1.162 1.00 0.00 C ATOM 617 CE LYS A 43 -22.247 -1.734 -0.909 1.00 0.00 C ATOM 618 NZ LYS A 43 -23.073 -1.851 -2.143 1.00 0.00 N ATOM 0 H LYS A 43 -17.181 -4.824 0.651 1.00 0.00 H new ATOM 0 HA LYS A 43 -17.388 -2.044 1.664 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -18.261 -1.628 -0.388 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -18.319 -3.331 -0.799 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -20.467 -3.588 0.356 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -20.393 -1.938 0.940 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -20.261 -1.242 -1.558 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -20.745 -2.887 -1.921 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -22.658 -2.381 -0.134 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -22.300 -0.713 -0.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -24.056 -1.589 -1.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -22.697 -1.215 -2.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -23.044 -2.831 -2.489 1.00 0.00 H new ATOM 632 N VAL A 44 -19.572 -2.575 2.946 1.00 0.00 N ATOM 633 CA VAL A 44 -20.579 -2.980 3.913 1.00 0.00 C ATOM 634 C VAL A 44 -21.543 -1.829 4.221 1.00 0.00 C ATOM 635 O VAL A 44 -21.153 -0.661 4.225 1.00 0.00 O ATOM 636 CB VAL A 44 -19.952 -3.573 5.210 1.00 0.00 C ATOM 637 CG1 VAL A 44 -18.451 -3.792 5.069 1.00 0.00 C ATOM 638 CG2 VAL A 44 -20.231 -2.730 6.446 1.00 0.00 C ATOM 0 H VAL A 44 -19.471 -1.566 2.832 1.00 0.00 H new ATOM 0 HA VAL A 44 -21.157 -3.784 3.457 1.00 0.00 H new ATOM 0 HB VAL A 44 -20.440 -4.538 5.348 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -18.055 -4.206 5.996 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -18.260 -4.486 4.251 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -17.963 -2.840 4.859 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -19.768 -3.196 7.316 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -19.818 -1.731 6.306 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -21.307 -2.659 6.602 1.00 0.00 H new ATOM 642 N PRO A 45 -22.829 -2.149 4.465 1.00 0.00 N ATOM 643 CA PRO A 45 -23.860 -1.147 4.754 1.00 0.00 C ATOM 644 C PRO A 45 -23.391 -0.073 5.728 1.00 0.00 C ATOM 645 O PRO A 45 -23.560 1.121 5.480 1.00 0.00 O ATOM 646 CB PRO A 45 -24.983 -1.979 5.369 1.00 0.00 C ATOM 647 CG PRO A 45 -24.853 -3.315 4.722 1.00 0.00 C ATOM 648 CD PRO A 45 -23.381 -3.519 4.463 1.00 0.00 C ATOM 0 HA PRO A 45 -24.151 -0.594 3.861 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -24.878 -2.050 6.452 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -25.959 -1.536 5.172 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -25.246 -4.100 5.368 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -25.420 -3.353 3.792 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -22.921 -4.137 5.234 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -23.208 -4.018 3.510 1.00 0.00 H new ATOM 656 N ASN A 46 -22.805 -0.504 6.835 1.00 0.00 N ATOM 657 CA ASN A 46 -22.312 0.417 7.851 1.00 0.00 C ATOM 658 C ASN A 46 -20.948 1.000 7.479 1.00 0.00 C ATOM 659 O ASN A 46 -20.239 1.519 8.341 1.00 0.00 O ATOM 660 CB ASN A 46 -22.222 -0.291 9.205 1.00 0.00 C ATOM 661 CG ASN A 46 -22.667 0.595 10.352 1.00 0.00 C ATOM 662 OD1 ASN A 46 -22.223 1.736 10.479 1.00 0.00 O ATOM 663 ND2 ASN A 46 -23.550 0.071 11.195 1.00 0.00 N ATOM 0 H ASN A 46 -22.658 -1.489 7.054 1.00 0.00 H new ATOM 0 HA ASN A 46 -23.021 1.243 7.916 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -22.838 -1.190 9.184 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -21.195 -0.613 9.376 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -23.887 0.619 11.986 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -23.891 -0.879 11.051 1.00 0.00 H new ATOM 668 N GLY A 47 -20.576 0.921 6.199 1.00 0.00 N ATOM 669 CA GLY A 47 -19.302 1.455 5.775 1.00 0.00 C ATOM 670 C GLY A 47 -18.521 0.497 4.899 1.00 0.00 C ATOM 671 O GLY A 47 -18.831 -0.691 4.813 1.00 0.00 O ATOM 0 H GLY A 47 -21.135 0.498 5.458 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -19.467 2.385 5.230 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -18.707 1.702 6.654 1.00 0.00 H new ATOM 675 N PHE A 48 -17.497 1.026 4.256 1.00 0.00 N ATOM 676 CA PHE A 48 -16.637 0.243 3.384 1.00 0.00 C ATOM 677 C PHE A 48 -15.411 -0.230 4.150 1.00 0.00 C ATOM 678 O PHE A 48 -14.644 0.587 4.665 1.00 0.00 O ATOM 679 CB PHE A 48 -16.166 1.085 2.197 1.00 0.00 C ATOM 680 CG PHE A 48 -17.154 1.235 1.084 1.00 0.00 C ATOM 681 CD1 PHE A 48 -18.189 2.150 1.163 1.00 0.00 C ATOM 682 CD2 PHE A 48 -17.021 0.475 -0.059 1.00 0.00 C ATOM 683 CE1 PHE A 48 -19.077 2.296 0.115 1.00 0.00 C ATOM 684 CE2 PHE A 48 -17.899 0.617 -1.111 1.00 0.00 C ATOM 685 CZ PHE A 48 -18.928 1.528 -1.025 1.00 0.00 C ATOM 0 H PHE A 48 -17.237 2.010 4.322 1.00 0.00 H new ATOM 0 HA PHE A 48 -17.210 -0.611 3.024 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -15.900 2.078 2.560 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -15.256 0.639 1.795 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -18.303 2.755 2.051 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -16.217 -0.242 -0.130 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -19.886 3.008 0.186 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -17.781 0.016 -2.000 1.00 0.00 H new ATOM 0 HZ PHE A 48 -19.618 1.643 -1.848 1.00 0.00 H new ATOM 695 N SER A 49 -15.213 -1.542 4.208 1.00 0.00 N ATOM 696 CA SER A 49 -14.054 -2.091 4.890 1.00 0.00 C ATOM 697 C SER A 49 -12.987 -2.450 3.877 1.00 0.00 C ATOM 698 O SER A 49 -13.217 -3.236 2.962 1.00 0.00 O ATOM 699 CB SER A 49 -14.408 -3.314 5.724 1.00 0.00 C ATOM 700 OG SER A 49 -15.790 -3.613 5.646 1.00 0.00 O ATOM 0 H SER A 49 -15.835 -2.237 3.795 1.00 0.00 H new ATOM 0 HA SER A 49 -13.678 -1.327 5.571 1.00 0.00 H new ATOM 0 HB2 SER A 49 -13.829 -4.171 5.379 1.00 0.00 H new ATOM 0 HB3 SER A 49 -14.130 -3.140 6.764 1.00 0.00 H new ATOM 0 HG SER A 49 -15.922 -4.578 5.750 1.00 0.00 H new ATOM 706 N VAL A 50 -11.828 -1.860 4.046 1.00 0.00 N ATOM 707 CA VAL A 50 -10.710 -2.095 3.141 1.00 0.00 C ATOM 708 C VAL A 50 -9.444 -2.446 3.906 1.00 0.00 C ATOM 709 O VAL A 50 -9.030 -1.710 4.803 1.00 0.00 O ATOM 710 CB VAL A 50 -10.422 -0.863 2.256 1.00 0.00 C ATOM 711 CG1 VAL A 50 -9.790 -1.287 0.938 1.00 0.00 C ATOM 712 CG2 VAL A 50 -11.690 -0.060 2.009 1.00 0.00 C ATOM 0 H VAL A 50 -11.626 -1.208 4.804 1.00 0.00 H new ATOM 0 HA VAL A 50 -11.000 -2.933 2.507 1.00 0.00 H new ATOM 0 HB VAL A 50 -9.717 -0.223 2.787 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -9.594 -0.405 0.328 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -8.853 -1.807 1.135 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -10.470 -1.953 0.406 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -11.459 0.802 1.383 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -12.426 -0.687 1.505 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -12.096 0.282 2.961 1.00 0.00 H new ATOM 716 N GLU A 51 -8.828 -3.567 3.544 1.00 0.00 N ATOM 717 CA GLU A 51 -7.603 -4.007 4.191 1.00 0.00 C ATOM 718 C GLU A 51 -6.501 -4.228 3.164 1.00 0.00 C ATOM 719 O GLU A 51 -6.623 -5.071 2.272 1.00 0.00 O ATOM 720 CB GLU A 51 -7.840 -5.292 4.986 1.00 0.00 C ATOM 721 CG GLU A 51 -8.882 -6.214 4.378 1.00 0.00 C ATOM 722 CD GLU A 51 -9.312 -7.315 5.329 1.00 0.00 C ATOM 723 OE1 GLU A 51 -9.110 -7.155 6.551 1.00 0.00 O ATOM 724 OE2 GLU A 51 -9.853 -8.334 4.852 1.00 0.00 O ATOM 0 H GLU A 51 -9.160 -4.186 2.805 1.00 0.00 H new ATOM 0 HA GLU A 51 -7.288 -3.223 4.880 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -6.897 -5.833 5.071 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -8.149 -5.029 5.998 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -9.754 -5.629 4.087 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -8.480 -6.661 3.469 1.00 0.00 H new ATOM 731 N ALA A 52 -5.426 -3.461 3.296 1.00 0.00 N ATOM 732 CA ALA A 52 -4.297 -3.568 2.383 1.00 0.00 C ATOM 733 C ALA A 52 -3.238 -4.505 2.944 1.00 0.00 C ATOM 734 O ALA A 52 -3.026 -4.563 4.155 1.00 0.00 O ATOM 735 CB ALA A 52 -3.703 -2.194 2.117 1.00 0.00 C ATOM 0 H ALA A 52 -5.313 -2.758 4.027 1.00 0.00 H new ATOM 0 HA ALA A 52 -4.654 -3.983 1.441 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -2.860 -2.288 1.433 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -4.461 -1.550 1.672 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -3.362 -1.757 3.056 1.00 0.00 H new ATOM 741 N SER A 53 -2.578 -5.243 2.059 1.00 0.00 N ATOM 742 CA SER A 53 -1.547 -6.181 2.474 1.00 0.00 C ATOM 743 C SER A 53 -0.367 -6.168 1.506 1.00 0.00 C ATOM 744 O SER A 53 -0.476 -6.623 0.368 1.00 0.00 O ATOM 745 CB SER A 53 -2.130 -7.591 2.579 1.00 0.00 C ATOM 746 OG SER A 53 -2.121 -8.244 1.321 1.00 0.00 O ATOM 0 H SER A 53 -2.739 -5.209 1.052 1.00 0.00 H new ATOM 0 HA SER A 53 -1.182 -5.872 3.454 1.00 0.00 H new ATOM 0 HB2 SER A 53 -1.554 -8.173 3.298 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.151 -7.538 2.957 1.00 0.00 H new ATOM 0 HG SER A 53 -1.909 -7.596 0.617 1.00 0.00 H new ATOM 752 N ILE A 54 0.762 -5.652 1.977 1.00 0.00 N ATOM 753 CA ILE A 54 1.975 -5.580 1.170 1.00 0.00 C ATOM 754 C ILE A 54 3.154 -6.180 1.930 1.00 0.00 C ATOM 755 O ILE A 54 3.050 -6.464 3.121 1.00 0.00 O ATOM 756 CB ILE A 54 2.312 -4.125 0.769 1.00 0.00 C ATOM 757 CG1 ILE A 54 1.035 -3.349 0.418 1.00 0.00 C ATOM 758 CG2 ILE A 54 3.283 -4.116 -0.403 1.00 0.00 C ATOM 759 CD1 ILE A 54 1.291 -1.950 -0.113 1.00 0.00 C ATOM 0 H ILE A 54 0.863 -5.275 2.919 1.00 0.00 H new ATOM 0 HA ILE A 54 1.792 -6.152 0.260 1.00 0.00 H new ATOM 0 HB ILE A 54 2.785 -3.632 1.618 1.00 0.00 H new ATOM 0 HG12 ILE A 54 0.473 -3.912 -0.327 1.00 0.00 H new ATOM 0 HG13 ILE A 54 0.408 -3.280 1.307 1.00 0.00 H new ATOM 0 HG21 ILE A 54 3.513 -3.086 -0.677 1.00 0.00 H new ATOM 0 HG22 ILE A 54 4.201 -4.630 -0.119 1.00 0.00 H new ATOM 0 HG23 ILE A 54 2.831 -4.625 -1.254 1.00 0.00 H new ATOM 0 HD11 ILE A 54 0.340 -1.467 -0.338 1.00 0.00 H new ATOM 0 HD12 ILE A 54 1.825 -1.368 0.638 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.891 -2.010 -1.021 1.00 0.00 H new ATOM 763 N GLY A 55 4.273 -6.374 1.239 1.00 0.00 N ATOM 764 CA GLY A 55 5.443 -6.933 1.871 1.00 0.00 C ATOM 765 C GLY A 55 6.624 -5.999 1.802 1.00 0.00 C ATOM 766 O GLY A 55 6.736 -5.183 0.888 1.00 0.00 O ATOM 0 H GLY A 55 4.385 -6.152 0.250 1.00 0.00 H new ATOM 0 HA2 GLY A 55 5.219 -7.158 2.914 1.00 0.00 H new ATOM 0 HA3 GLY A 55 5.699 -7.877 1.390 1.00 0.00 H new ATOM 770 N THR A 56 7.502 -6.124 2.774 1.00 0.00 N ATOM 771 CA THR A 56 8.696 -5.291 2.840 1.00 0.00 C ATOM 772 C THR A 56 9.850 -6.048 3.484 1.00 0.00 C ATOM 773 O THR A 56 9.651 -6.769 4.462 1.00 0.00 O ATOM 774 CB THR A 56 8.439 -4.005 3.635 1.00 0.00 C ATOM 775 OG1 THR A 56 9.055 -4.071 4.919 1.00 0.00 O ATOM 776 CG2 THR A 56 6.970 -3.693 3.828 1.00 0.00 C ATOM 0 H THR A 56 7.415 -6.797 3.536 1.00 0.00 H new ATOM 0 HA THR A 56 8.958 -5.028 1.815 1.00 0.00 H new ATOM 0 HB THR A 56 8.875 -3.206 3.035 1.00 0.00 H new ATOM 0 HG1 THR A 56 9.449 -3.201 5.138 1.00 0.00 H new ATOM 0 HG21 THR A 56 6.866 -2.770 4.399 1.00 0.00 H new ATOM 0 HG22 THR A 56 6.492 -3.574 2.855 1.00 0.00 H new ATOM 0 HG23 THR A 56 6.493 -4.510 4.369 1.00 0.00 H new ATOM 781 N PRO A 57 11.084 -5.880 2.977 1.00 0.00 N ATOM 782 CA PRO A 57 12.244 -6.544 3.563 1.00 0.00 C ATOM 783 C PRO A 57 12.363 -6.246 5.056 1.00 0.00 C ATOM 784 O PRO A 57 13.062 -6.949 5.784 1.00 0.00 O ATOM 785 CB PRO A 57 13.439 -5.942 2.820 1.00 0.00 C ATOM 786 CG PRO A 57 12.888 -5.353 1.569 1.00 0.00 C ATOM 787 CD PRO A 57 11.445 -5.021 1.830 1.00 0.00 C ATOM 0 HA PRO A 57 12.178 -7.628 3.469 1.00 0.00 H new ATOM 0 HB2 PRO A 57 13.932 -5.182 3.425 1.00 0.00 H new ATOM 0 HB3 PRO A 57 14.185 -6.705 2.597 1.00 0.00 H new ATOM 0 HG2 PRO A 57 13.444 -4.458 1.288 1.00 0.00 H new ATOM 0 HG3 PRO A 57 12.977 -6.056 0.741 1.00 0.00 H new ATOM 0 HD2 PRO A 57 11.314 -3.965 2.065 1.00 0.00 H new ATOM 0 HD3 PRO A 57 10.823 -5.233 0.961 1.00 0.00 H new ATOM 795 N LEU A 58 11.684 -5.187 5.503 1.00 0.00 N ATOM 796 CA LEU A 58 11.729 -4.791 6.906 1.00 0.00 C ATOM 797 C LEU A 58 10.546 -5.366 7.682 1.00 0.00 C ATOM 798 O LEU A 58 10.587 -5.463 8.909 1.00 0.00 O ATOM 799 CB LEU A 58 11.745 -3.263 7.023 1.00 0.00 C ATOM 800 CG LEU A 58 12.318 -2.517 5.812 1.00 0.00 C ATOM 801 CD1 LEU A 58 12.277 -1.014 6.043 1.00 0.00 C ATOM 802 CD2 LEU A 58 13.742 -2.974 5.521 1.00 0.00 C ATOM 0 H LEU A 58 11.100 -4.593 4.914 1.00 0.00 H new ATOM 0 HA LEU A 58 12.644 -5.193 7.341 1.00 0.00 H new ATOM 0 HB2 LEU A 58 10.725 -2.918 7.192 1.00 0.00 H new ATOM 0 HB3 LEU A 58 12.324 -2.989 7.905 1.00 0.00 H new ATOM 0 HG LEU A 58 11.701 -2.750 4.944 1.00 0.00 H new ATOM 0 HD11 LEU A 58 12.688 -0.501 5.173 1.00 0.00 H new ATOM 0 HD12 LEU A 58 11.245 -0.698 6.197 1.00 0.00 H new ATOM 0 HD13 LEU A 58 12.869 -0.765 6.924 1.00 0.00 H new ATOM 0 HD21 LEU A 58 14.129 -2.432 4.658 1.00 0.00 H new ATOM 0 HD22 LEU A 58 14.372 -2.774 6.387 1.00 0.00 H new ATOM 0 HD23 LEU A 58 13.745 -4.043 5.309 1.00 0.00 H new ATOM 808 N GLY A 59 9.496 -5.751 6.962 1.00 0.00 N ATOM 809 CA GLY A 59 8.323 -6.316 7.603 1.00 0.00 C ATOM 810 C GLY A 59 7.071 -6.162 6.765 1.00 0.00 C ATOM 811 O GLY A 59 6.785 -5.080 6.255 1.00 0.00 O ATOM 0 H GLY A 59 9.437 -5.682 5.946 1.00 0.00 H new ATOM 0 HA2 GLY A 59 8.496 -7.374 7.801 1.00 0.00 H new ATOM 0 HA3 GLY A 59 8.172 -5.832 8.568 1.00 0.00 H new ATOM 815 N ASN A 60 6.327 -7.253 6.621 1.00 0.00 N ATOM 816 CA ASN A 60 5.099 -7.255 5.837 1.00 0.00 C ATOM 817 C ASN A 60 4.164 -6.124 6.254 1.00 0.00 C ATOM 818 O ASN A 60 3.863 -5.956 7.435 1.00 0.00 O ATOM 819 CB ASN A 60 4.385 -8.597 5.992 1.00 0.00 C ATOM 820 CG ASN A 60 5.253 -9.768 5.578 1.00 0.00 C ATOM 821 OD1 ASN A 60 6.429 -9.599 5.253 1.00 0.00 O ATOM 822 ND2 ASN A 60 4.679 -10.966 5.585 1.00 0.00 N ATOM 0 H ASN A 60 6.556 -8.154 7.041 1.00 0.00 H new ATOM 0 HA ASN A 60 5.370 -7.100 4.793 1.00 0.00 H new ATOM 0 HB2 ASN A 60 4.080 -8.725 7.031 1.00 0.00 H new ATOM 0 HB3 ASN A 60 3.476 -8.593 5.391 1.00 0.00 H new ATOM 0 HD21 ASN A 60 5.216 -11.790 5.314 1.00 0.00 H new ATOM 0 HD22 ASN A 60 3.702 -11.062 5.861 1.00 0.00 H new ATOM 827 N LEU A 61 3.695 -5.361 5.271 1.00 0.00 N ATOM 828 CA LEU A 61 2.781 -4.256 5.531 1.00 0.00 C ATOM 829 C LEU A 61 1.335 -4.731 5.450 1.00 0.00 C ATOM 830 O LEU A 61 0.969 -5.478 4.545 1.00 0.00 O ATOM 831 CB LEU A 61 2.990 -3.122 4.520 1.00 0.00 C ATOM 832 CG LEU A 61 4.185 -2.198 4.777 1.00 0.00 C ATOM 833 CD1 LEU A 61 4.800 -1.750 3.458 1.00 0.00 C ATOM 834 CD2 LEU A 61 3.772 -0.985 5.601 1.00 0.00 C ATOM 0 H LEU A 61 3.933 -5.489 4.287 1.00 0.00 H new ATOM 0 HA LEU A 61 2.990 -3.884 6.534 1.00 0.00 H new ATOM 0 HB2 LEU A 61 3.105 -3.563 3.530 1.00 0.00 H new ATOM 0 HB3 LEU A 61 2.086 -2.514 4.496 1.00 0.00 H new ATOM 0 HG LEU A 61 4.929 -2.758 5.344 1.00 0.00 H new ATOM 0 HD11 LEU A 61 5.648 -1.094 3.656 1.00 0.00 H new ATOM 0 HD12 LEU A 61 5.139 -2.623 2.900 1.00 0.00 H new ATOM 0 HD13 LEU A 61 4.054 -1.212 2.873 1.00 0.00 H new ATOM 0 HD21 LEU A 61 4.639 -0.346 5.768 1.00 0.00 H new ATOM 0 HD22 LEU A 61 3.007 -0.424 5.065 1.00 0.00 H new ATOM 0 HD23 LEU A 61 3.374 -1.315 6.560 1.00 0.00 H new ATOM 840 N LEU A 62 0.515 -4.279 6.389 1.00 0.00 N ATOM 841 CA LEU A 62 -0.891 -4.642 6.412 1.00 0.00 C ATOM 842 C LEU A 62 -1.710 -3.526 7.039 1.00 0.00 C ATOM 843 O LEU A 62 -1.218 -2.774 7.878 1.00 0.00 O ATOM 844 CB LEU A 62 -1.114 -5.942 7.185 1.00 0.00 C ATOM 845 CG LEU A 62 -0.132 -7.070 6.864 1.00 0.00 C ATOM 846 CD1 LEU A 62 -0.215 -8.163 7.919 1.00 0.00 C ATOM 847 CD2 LEU A 62 -0.410 -7.638 5.478 1.00 0.00 C ATOM 0 H LEU A 62 0.803 -3.659 7.146 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.214 -4.795 5.382 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.057 -5.725 8.252 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.126 -6.295 6.985 1.00 0.00 H new ATOM 0 HG LEU A 62 0.879 -6.663 6.871 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.490 -8.958 7.676 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.031 -7.746 8.895 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.226 -8.570 7.943 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.297 -8.440 5.265 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.426 -8.032 5.443 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.300 -6.850 4.733 1.00 0.00 H new ATOM 853 N ALA A 63 -2.959 -3.426 6.622 1.00 0.00 N ATOM 854 CA ALA A 63 -3.854 -2.401 7.138 1.00 0.00 C ATOM 855 C ALA A 63 -5.308 -2.761 6.876 1.00 0.00 C ATOM 856 O ALA A 63 -5.603 -3.622 6.049 1.00 0.00 O ATOM 857 CB ALA A 63 -3.523 -1.052 6.518 1.00 0.00 C ATOM 0 H ALA A 63 -3.379 -4.042 5.926 1.00 0.00 H new ATOM 0 HA ALA A 63 -3.711 -2.338 8.217 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -4.200 -0.294 6.913 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -2.495 -0.782 6.761 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -3.636 -1.111 5.436 1.00 0.00 H new ATOM 863 N SER A 64 -6.209 -2.090 7.586 1.00 0.00 N ATOM 864 CA SER A 64 -7.639 -2.331 7.432 1.00 0.00 C ATOM 865 C SER A 64 -8.447 -1.204 8.063 1.00 0.00 C ATOM 866 O SER A 64 -8.149 -0.759 9.171 1.00 0.00 O ATOM 867 CB SER A 64 -8.028 -3.672 8.057 1.00 0.00 C ATOM 868 OG SER A 64 -8.264 -3.540 9.449 1.00 0.00 O ATOM 0 H SER A 64 -5.974 -1.375 8.274 1.00 0.00 H new ATOM 0 HA SER A 64 -7.864 -2.364 6.366 1.00 0.00 H new ATOM 0 HB2 SER A 64 -8.923 -4.058 7.569 1.00 0.00 H new ATOM 0 HB3 SER A 64 -7.234 -4.399 7.887 1.00 0.00 H new ATOM 0 HG SER A 64 -8.512 -4.411 9.823 1.00 0.00 H new ATOM 874 N ALA A 65 -9.468 -0.739 7.349 1.00 0.00 N ATOM 875 CA ALA A 65 -10.310 0.344 7.849 1.00 0.00 C ATOM 876 C ALA A 65 -11.730 0.252 7.300 1.00 0.00 C ATOM 877 O ALA A 65 -11.941 -0.146 6.155 1.00 0.00 O ATOM 878 CB ALA A 65 -9.695 1.690 7.499 1.00 0.00 C ATOM 0 H ALA A 65 -9.731 -1.092 6.429 1.00 0.00 H new ATOM 0 HA ALA A 65 -10.368 0.247 8.933 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -10.332 2.490 7.877 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -8.707 1.768 7.953 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -9.605 1.778 6.416 1.00 0.00 H new ATOM 884 N THR A 66 -12.698 0.635 8.129 1.00 0.00 N ATOM 885 CA THR A 66 -14.105 0.610 7.743 1.00 0.00 C ATOM 886 C THR A 66 -14.703 2.009 7.811 1.00 0.00 C ATOM 887 O THR A 66 -14.939 2.537 8.898 1.00 0.00 O ATOM 888 CB THR A 66 -14.894 -0.325 8.658 1.00 0.00 C ATOM 889 OG1 THR A 66 -14.307 -1.613 8.695 1.00 0.00 O ATOM 890 CG2 THR A 66 -16.341 -0.487 8.243 1.00 0.00 C ATOM 0 H THR A 66 -12.531 0.968 9.078 1.00 0.00 H new ATOM 0 HA THR A 66 -14.167 0.245 6.718 1.00 0.00 H new ATOM 0 HB THR A 66 -14.865 0.145 9.641 1.00 0.00 H new ATOM 0 HG1 THR A 66 -14.828 -2.193 9.288 1.00 0.00 H new ATOM 0 HG21 THR A 66 -16.844 -1.163 8.934 1.00 0.00 H new ATOM 0 HG22 THR A 66 -16.836 0.484 8.261 1.00 0.00 H new ATOM 0 HG23 THR A 66 -16.386 -0.899 7.235 1.00 0.00 H new ATOM 895 N SER A 67 -14.949 2.609 6.653 1.00 0.00 N ATOM 896 CA SER A 67 -15.524 3.949 6.608 1.00 0.00 C ATOM 897 C SER A 67 -16.591 4.046 5.529 1.00 0.00 C ATOM 898 O SER A 67 -16.549 3.328 4.533 1.00 0.00 O ATOM 899 CB SER A 67 -14.435 4.994 6.359 1.00 0.00 C ATOM 900 OG SER A 67 -14.182 5.757 7.526 1.00 0.00 O ATOM 0 H SER A 67 -14.762 2.194 5.740 1.00 0.00 H new ATOM 0 HA SER A 67 -15.988 4.146 7.574 1.00 0.00 H new ATOM 0 HB2 SER A 67 -13.518 4.499 6.039 1.00 0.00 H new ATOM 0 HB3 SER A 67 -14.740 5.655 5.548 1.00 0.00 H new ATOM 0 HG SER A 67 -13.215 5.849 7.653 1.00 0.00 H new ATOM 906 N ASP A 68 -17.538 4.954 5.726 1.00 0.00 N ATOM 907 CA ASP A 68 -18.611 5.154 4.763 1.00 0.00 C ATOM 908 C ASP A 68 -18.086 5.807 3.487 1.00 0.00 C ATOM 909 O ASP A 68 -18.838 6.024 2.538 1.00 0.00 O ATOM 910 CB ASP A 68 -19.719 6.017 5.373 1.00 0.00 C ATOM 911 CG ASP A 68 -21.103 5.553 4.966 1.00 0.00 C ATOM 912 OD1 ASP A 68 -21.377 5.498 3.749 1.00 0.00 O ATOM 913 OD2 ASP A 68 -21.914 5.244 5.865 1.00 0.00 O ATOM 0 H ASP A 68 -17.584 5.563 6.543 1.00 0.00 H new ATOM 0 HA ASP A 68 -19.020 4.177 4.507 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -19.636 5.995 6.460 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -19.581 7.053 5.064 1.00 0.00 H new ATOM 918 N ASP A 69 -16.792 6.126 3.470 1.00 0.00 N ATOM 919 CA ASP A 69 -16.182 6.757 2.312 1.00 0.00 C ATOM 920 C ASP A 69 -15.157 5.837 1.656 1.00 0.00 C ATOM 921 O ASP A 69 -14.050 5.659 2.158 1.00 0.00 O ATOM 922 CB ASP A 69 -15.521 8.069 2.726 1.00 0.00 C ATOM 923 CG ASP A 69 -16.460 9.254 2.610 1.00 0.00 C ATOM 924 OD1 ASP A 69 -17.350 9.393 3.475 1.00 0.00 O ATOM 925 OD2 ASP A 69 -16.305 10.043 1.654 1.00 0.00 O ATOM 0 H ASP A 69 -16.152 5.956 4.246 1.00 0.00 H new ATOM 0 HA ASP A 69 -16.966 6.960 1.582 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -15.170 7.987 3.755 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -14.644 8.242 2.103 1.00 0.00 H new ATOM 930 N MET A 70 -15.551 5.256 0.530 1.00 0.00 N ATOM 931 CA MET A 70 -14.710 4.343 -0.237 1.00 0.00 C ATOM 932 C MET A 70 -13.241 4.775 -0.279 1.00 0.00 C ATOM 933 O MET A 70 -12.366 4.121 0.305 1.00 0.00 O ATOM 934 CB MET A 70 -15.256 4.257 -1.665 1.00 0.00 C ATOM 935 CG MET A 70 -15.918 2.928 -1.984 1.00 0.00 C ATOM 936 SD MET A 70 -15.148 2.081 -3.375 1.00 0.00 S ATOM 937 CE MET A 70 -13.753 1.318 -2.558 1.00 0.00 C ATOM 0 H MET A 70 -16.472 5.406 0.119 1.00 0.00 H new ATOM 0 HA MET A 70 -14.740 3.372 0.258 1.00 0.00 H new ATOM 0 HB2 MET A 70 -15.978 5.059 -1.818 1.00 0.00 H new ATOM 0 HB3 MET A 70 -14.440 4.425 -2.368 1.00 0.00 H new ATOM 0 HG2 MET A 70 -15.875 2.286 -1.104 1.00 0.00 H new ATOM 0 HG3 MET A 70 -16.972 3.096 -2.205 1.00 0.00 H new ATOM 0 HE1 MET A 70 -12.852 1.477 -3.151 1.00 0.00 H new ATOM 0 HE2 MET A 70 -13.621 1.762 -1.571 1.00 0.00 H new ATOM 0 HE3 MET A 70 -13.933 0.248 -2.453 1.00 0.00 H new ATOM 947 N TYR A 71 -12.970 5.858 -0.997 1.00 0.00 N ATOM 948 CA TYR A 71 -11.607 6.346 -1.145 1.00 0.00 C ATOM 949 C TYR A 71 -11.029 6.827 0.169 1.00 0.00 C ATOM 950 O TYR A 71 -9.817 6.793 0.351 1.00 0.00 O ATOM 951 CB TYR A 71 -11.532 7.415 -2.232 1.00 0.00 C ATOM 952 CG TYR A 71 -11.257 6.812 -3.595 1.00 0.00 C ATOM 953 CD1 TYR A 71 -11.507 5.463 -3.830 1.00 0.00 C ATOM 954 CD2 TYR A 71 -10.740 7.572 -4.634 1.00 0.00 C ATOM 955 CE1 TYR A 71 -11.254 4.890 -5.054 1.00 0.00 C ATOM 956 CE2 TYR A 71 -10.485 7.005 -5.870 1.00 0.00 C ATOM 957 CZ TYR A 71 -10.744 5.663 -6.075 1.00 0.00 C ATOM 958 OH TYR A 71 -10.493 5.098 -7.304 1.00 0.00 O ATOM 0 H TYR A 71 -13.674 6.413 -1.484 1.00 0.00 H new ATOM 0 HA TYR A 71 -10.986 5.508 -1.461 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -12.470 7.969 -2.262 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -10.747 8.130 -1.985 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -11.908 4.853 -3.034 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -10.534 8.620 -4.476 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -11.454 3.841 -5.214 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -10.085 7.609 -6.671 1.00 0.00 H new ATOM 0 HH TYR A 71 -9.747 5.567 -7.733 1.00 0.00 H new ATOM 968 N LYS A 72 -11.886 7.223 1.102 1.00 0.00 N ATOM 969 CA LYS A 72 -11.412 7.644 2.412 1.00 0.00 C ATOM 970 C LYS A 72 -10.971 6.408 3.183 1.00 0.00 C ATOM 971 O LYS A 72 -9.980 6.429 3.906 1.00 0.00 O ATOM 972 CB LYS A 72 -12.486 8.367 3.180 1.00 0.00 C ATOM 973 CG LYS A 72 -11.985 9.045 4.445 1.00 0.00 C ATOM 974 CD LYS A 72 -13.082 9.152 5.492 1.00 0.00 C ATOM 975 CE LYS A 72 -13.840 10.465 5.373 1.00 0.00 C ATOM 976 NZ LYS A 72 -13.139 11.576 6.074 1.00 0.00 N ATOM 0 H LYS A 72 -12.898 7.261 0.978 1.00 0.00 H new ATOM 0 HA LYS A 72 -10.579 8.335 2.282 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -12.940 9.117 2.533 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -13.270 7.658 3.445 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -11.145 8.482 4.853 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -11.614 10.041 4.203 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -13.776 8.319 5.380 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -12.645 9.072 6.487 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -13.962 10.720 4.320 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -14.840 10.346 5.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -13.688 12.453 5.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -13.045 11.345 7.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -12.194 11.707 5.659 1.00 0.00 H new ATOM 990 N ALA A 73 -11.703 5.308 2.982 1.00 0.00 N ATOM 991 CA ALA A 73 -11.366 4.042 3.612 1.00 0.00 C ATOM 992 C ALA A 73 -10.009 3.631 3.087 1.00 0.00 C ATOM 993 O ALA A 73 -9.072 3.368 3.846 1.00 0.00 O ATOM 994 CB ALA A 73 -12.412 2.982 3.297 1.00 0.00 C ATOM 0 H ALA A 73 -12.531 5.276 2.387 1.00 0.00 H new ATOM 0 HA ALA A 73 -11.342 4.149 4.696 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -12.137 2.044 3.780 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -13.384 3.309 3.667 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -12.465 2.833 2.219 1.00 0.00 H new ATOM 1000 N ILE A 74 -9.899 3.663 1.761 1.00 0.00 N ATOM 1001 CA ILE A 74 -8.641 3.381 1.097 1.00 0.00 C ATOM 1002 C ILE A 74 -7.636 4.423 1.573 1.00 0.00 C ATOM 1003 O ILE A 74 -6.457 4.136 1.799 1.00 0.00 O ATOM 1004 CB ILE A 74 -8.818 3.439 -0.440 1.00 0.00 C ATOM 1005 CG1 ILE A 74 -9.402 2.120 -0.939 1.00 0.00 C ATOM 1006 CG2 ILE A 74 -7.508 3.744 -1.153 1.00 0.00 C ATOM 1007 CD1 ILE A 74 -10.728 2.267 -1.643 1.00 0.00 C ATOM 0 H ILE A 74 -10.670 3.882 1.130 1.00 0.00 H new ATOM 0 HA ILE A 74 -8.288 2.379 1.341 1.00 0.00 H new ATOM 0 HB ILE A 74 -9.506 4.253 -0.669 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -8.690 1.653 -1.620 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -9.524 1.444 -0.092 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -7.678 3.775 -2.229 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -7.127 4.709 -0.818 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -6.779 2.967 -0.923 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -11.078 1.287 -1.968 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -11.456 2.704 -0.960 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -10.609 2.916 -2.511 1.00 0.00 H new ATOM 1011 N ASN A 75 -8.160 5.631 1.770 1.00 0.00 N ATOM 1012 CA ASN A 75 -7.402 6.755 2.270 1.00 0.00 C ATOM 1013 C ASN A 75 -6.835 6.412 3.641 1.00 0.00 C ATOM 1014 O ASN A 75 -5.681 6.711 3.950 1.00 0.00 O ATOM 1015 CB ASN A 75 -8.339 7.962 2.345 1.00 0.00 C ATOM 1016 CG ASN A 75 -7.647 9.256 2.018 1.00 0.00 C ATOM 1017 OD1 ASN A 75 -6.930 9.826 2.843 1.00 0.00 O ATOM 1018 ND2 ASN A 75 -7.864 9.725 0.802 1.00 0.00 N ATOM 0 H ASN A 75 -9.138 5.850 1.581 1.00 0.00 H new ATOM 0 HA ASN A 75 -6.566 6.989 1.611 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -9.170 7.815 1.655 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -8.764 8.025 3.347 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -7.429 10.599 0.507 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -8.467 9.213 0.158 1.00 0.00 H new ATOM 1023 N GLU A 76 -7.662 5.756 4.448 1.00 0.00 N ATOM 1024 CA GLU A 76 -7.268 5.330 5.782 1.00 0.00 C ATOM 1025 C GLU A 76 -6.208 4.234 5.691 1.00 0.00 C ATOM 1026 O GLU A 76 -5.123 4.352 6.269 1.00 0.00 O ATOM 1027 CB GLU A 76 -8.491 4.824 6.553 1.00 0.00 C ATOM 1028 CG GLU A 76 -8.705 5.528 7.883 1.00 0.00 C ATOM 1029 CD GLU A 76 -9.817 6.558 7.825 1.00 0.00 C ATOM 1030 OE1 GLU A 76 -10.990 6.176 8.017 1.00 0.00 O ATOM 1031 OE2 GLU A 76 -9.513 7.746 7.586 1.00 0.00 O ATOM 0 H GLU A 76 -8.618 5.507 4.196 1.00 0.00 H new ATOM 0 HA GLU A 76 -6.845 6.181 6.315 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -9.379 4.955 5.935 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -8.381 3.754 6.731 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -8.940 4.788 8.648 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -7.778 6.016 8.185 1.00 0.00 H new ATOM 1038 N VAL A 77 -6.520 3.172 4.944 1.00 0.00 N ATOM 1039 CA VAL A 77 -5.584 2.065 4.762 1.00 0.00 C ATOM 1040 C VAL A 77 -4.230 2.592 4.332 1.00 0.00 C ATOM 1041 O VAL A 77 -3.201 2.244 4.910 1.00 0.00 O ATOM 1042 CB VAL A 77 -6.068 1.063 3.700 1.00 0.00 C ATOM 1043 CG1 VAL A 77 -5.308 -0.248 3.817 1.00 0.00 C ATOM 1044 CG2 VAL A 77 -7.558 0.835 3.826 1.00 0.00 C ATOM 0 H VAL A 77 -7.410 3.057 4.458 1.00 0.00 H new ATOM 0 HA VAL A 77 -5.514 1.552 5.721 1.00 0.00 H new ATOM 0 HB VAL A 77 -5.870 1.483 2.714 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.664 -0.944 3.058 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.243 -0.066 3.671 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.471 -0.676 4.806 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -7.883 0.123 3.067 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -7.783 0.437 4.816 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -8.084 1.780 3.686 1.00 0.00 H new ATOM 1048 N GLU A 78 -4.241 3.445 3.315 1.00 0.00 N ATOM 1049 CA GLU A 78 -3.012 4.031 2.813 1.00 0.00 C ATOM 1050 C GLU A 78 -2.281 4.750 3.938 1.00 0.00 C ATOM 1051 O GLU A 78 -1.051 4.763 3.990 1.00 0.00 O ATOM 1052 CB GLU A 78 -3.308 5.000 1.663 1.00 0.00 C ATOM 1053 CG GLU A 78 -2.083 5.753 1.164 1.00 0.00 C ATOM 1054 CD GLU A 78 -1.771 6.977 2.002 1.00 0.00 C ATOM 1055 OE1 GLU A 78 -2.499 7.985 1.875 1.00 0.00 O ATOM 1056 OE2 GLU A 78 -0.800 6.928 2.785 1.00 0.00 O ATOM 0 H GLU A 78 -5.085 3.743 2.826 1.00 0.00 H new ATOM 0 HA GLU A 78 -2.375 3.233 2.432 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -3.743 4.443 0.834 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -4.057 5.720 1.991 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -1.222 5.084 1.170 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -2.244 6.057 0.130 1.00 0.00 H new ATOM 1063 N GLU A 79 -3.053 5.330 4.850 1.00 0.00 N ATOM 1064 CA GLU A 79 -2.486 6.030 5.990 1.00 0.00 C ATOM 1065 C GLU A 79 -1.828 5.033 6.931 1.00 0.00 C ATOM 1066 O GLU A 79 -0.713 5.254 7.404 1.00 0.00 O ATOM 1067 CB GLU A 79 -3.567 6.826 6.725 1.00 0.00 C ATOM 1068 CG GLU A 79 -3.424 8.331 6.571 1.00 0.00 C ATOM 1069 CD GLU A 79 -2.189 8.874 7.264 1.00 0.00 C ATOM 1070 OE1 GLU A 79 -1.068 8.520 6.842 1.00 0.00 O ATOM 1071 OE2 GLU A 79 -2.343 9.652 8.228 1.00 0.00 O ATOM 0 H GLU A 79 -4.073 5.328 4.820 1.00 0.00 H new ATOM 0 HA GLU A 79 -1.732 6.731 5.633 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -4.546 6.522 6.354 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -3.536 6.573 7.785 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -3.381 8.581 5.511 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -4.309 8.820 6.978 1.00 0.00 H new ATOM 1078 N LYS A 80 -2.515 3.921 7.185 1.00 0.00 N ATOM 1079 CA LYS A 80 -1.972 2.885 8.053 1.00 0.00 C ATOM 1080 C LYS A 80 -0.771 2.229 7.383 1.00 0.00 C ATOM 1081 O LYS A 80 0.278 2.040 8.002 1.00 0.00 O ATOM 1082 CB LYS A 80 -3.041 1.836 8.373 1.00 0.00 C ATOM 1083 CG LYS A 80 -3.261 1.627 9.863 1.00 0.00 C ATOM 1084 CD LYS A 80 -4.582 2.223 10.323 1.00 0.00 C ATOM 1085 CE LYS A 80 -5.204 1.402 11.441 1.00 0.00 C ATOM 1086 NZ LYS A 80 -6.691 1.413 11.377 1.00 0.00 N ATOM 0 H LYS A 80 -3.440 3.718 6.805 1.00 0.00 H new ATOM 0 HA LYS A 80 -1.652 3.343 8.989 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -3.983 2.137 7.914 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -2.754 0.887 7.920 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -3.245 0.561 10.088 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -2.442 2.083 10.420 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -4.421 3.245 10.667 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -5.272 2.275 9.481 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -4.846 0.374 11.379 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -4.879 1.796 12.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -7.076 0.842 12.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -7.035 2.391 11.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -7.002 1.014 10.469 1.00 0.00 H new ATOM 1100 N LEU A 81 -0.931 1.899 6.105 1.00 0.00 N ATOM 1101 CA LEU A 81 0.137 1.279 5.330 1.00 0.00 C ATOM 1102 C LEU A 81 1.353 2.203 5.269 1.00 0.00 C ATOM 1103 O LEU A 81 2.489 1.763 5.458 1.00 0.00 O ATOM 1104 CB LEU A 81 -0.358 0.940 3.913 1.00 0.00 C ATOM 1105 CG LEU A 81 -0.273 -0.538 3.508 1.00 0.00 C ATOM 1106 CD1 LEU A 81 1.114 -0.867 2.981 1.00 0.00 C ATOM 1107 CD2 LEU A 81 -0.635 -1.449 4.674 1.00 0.00 C ATOM 0 H LEU A 81 -1.794 2.052 5.583 1.00 0.00 H new ATOM 0 HA LEU A 81 0.433 0.352 5.821 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.396 1.261 3.825 1.00 0.00 H new ATOM 0 HB3 LEU A 81 0.219 1.526 3.198 1.00 0.00 H new ATOM 0 HG LEU A 81 -0.996 -0.711 2.711 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.156 -1.919 2.699 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.328 -0.249 2.109 1.00 0.00 H new ATOM 0 HD13 LEU A 81 1.854 -0.670 3.756 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.566 -2.490 4.358 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.055 -1.274 5.500 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -1.653 -1.236 5.000 1.00 0.00 H new ATOM 1113 N GLU A 82 1.109 3.492 5.024 1.00 0.00 N ATOM 1114 CA GLU A 82 2.192 4.466 4.959 1.00 0.00 C ATOM 1115 C GLU A 82 2.811 4.658 6.336 1.00 0.00 C ATOM 1116 O GLU A 82 4.018 4.477 6.519 1.00 0.00 O ATOM 1117 CB GLU A 82 1.673 5.798 4.424 1.00 0.00 C ATOM 1118 CG GLU A 82 2.772 6.751 3.992 1.00 0.00 C ATOM 1119 CD GLU A 82 2.502 7.373 2.636 1.00 0.00 C ATOM 1120 OE1 GLU A 82 2.177 6.623 1.692 1.00 0.00 O ATOM 1121 OE2 GLU A 82 2.615 8.611 2.518 1.00 0.00 O ATOM 0 H GLU A 82 0.178 3.880 4.869 1.00 0.00 H new ATOM 0 HA GLU A 82 2.958 4.091 4.280 1.00 0.00 H new ATOM 0 HB2 GLU A 82 1.015 5.607 3.576 1.00 0.00 H new ATOM 0 HB3 GLU A 82 1.069 6.278 5.194 1.00 0.00 H new ATOM 0 HG2 GLU A 82 2.877 7.541 4.736 1.00 0.00 H new ATOM 0 HG3 GLU A 82 3.721 6.216 3.960 1.00 0.00 H new ATOM 1128 N ARG A 83 1.976 5.006 7.313 1.00 0.00 N ATOM 1129 CA ARG A 83 2.445 5.197 8.683 1.00 0.00 C ATOM 1130 C ARG A 83 3.288 3.998 9.100 1.00 0.00 C ATOM 1131 O ARG A 83 4.399 4.147 9.619 1.00 0.00 O ATOM 1132 CB ARG A 83 1.264 5.370 9.640 1.00 0.00 C ATOM 1133 CG ARG A 83 1.618 6.123 10.912 1.00 0.00 C ATOM 1134 CD ARG A 83 0.388 6.741 11.558 1.00 0.00 C ATOM 1135 NE ARG A 83 0.571 8.164 11.836 1.00 0.00 N ATOM 1136 CZ ARG A 83 0.487 9.116 10.910 1.00 0.00 C ATOM 1137 NH1 ARG A 83 0.224 8.804 9.648 1.00 0.00 N ATOM 1138 NH2 ARG A 83 0.667 10.387 11.249 1.00 0.00 N ATOM 0 H ARG A 83 0.976 5.161 7.182 1.00 0.00 H new ATOM 0 HA ARG A 83 3.052 6.101 8.727 1.00 0.00 H new ATOM 0 HB2 ARG A 83 0.464 5.901 9.124 1.00 0.00 H new ATOM 0 HB3 ARG A 83 0.875 4.387 9.906 1.00 0.00 H new ATOM 0 HG2 ARG A 83 2.097 5.443 11.617 1.00 0.00 H new ATOM 0 HG3 ARG A 83 2.341 6.906 10.683 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -0.472 6.608 10.901 1.00 0.00 H new ATOM 0 HD3 ARG A 83 0.164 6.216 12.487 1.00 0.00 H new ATOM 0 HE ARG A 83 0.775 8.444 12.795 1.00 0.00 H new ATOM 0 HH11 ARG A 83 0.085 7.829 9.382 1.00 0.00 H new ATOM 0 HH12 ARG A 83 0.161 9.539 8.943 1.00 0.00 H new ATOM 0 HH21 ARG A 83 0.869 10.633 12.218 1.00 0.00 H new ATOM 0 HH22 ARG A 83 0.603 11.118 10.540 1.00 0.00 H new ATOM 1152 N GLN A 84 2.764 2.805 8.831 1.00 0.00 N ATOM 1153 CA GLN A 84 3.480 1.580 9.140 1.00 0.00 C ATOM 1154 C GLN A 84 4.796 1.570 8.375 1.00 0.00 C ATOM 1155 O GLN A 84 5.852 1.285 8.938 1.00 0.00 O ATOM 1156 CB GLN A 84 2.639 0.357 8.776 1.00 0.00 C ATOM 1157 CG GLN A 84 1.489 0.108 9.732 1.00 0.00 C ATOM 1158 CD GLN A 84 0.515 -0.932 9.215 1.00 0.00 C ATOM 1159 OE1 GLN A 84 0.882 -2.086 8.994 1.00 0.00 O ATOM 1160 NE2 GLN A 84 -0.735 -0.527 9.019 1.00 0.00 N ATOM 0 H GLN A 84 1.850 2.665 8.401 1.00 0.00 H new ATOM 0 HA GLN A 84 3.681 1.539 10.211 1.00 0.00 H new ATOM 0 HB2 GLN A 84 2.243 0.485 7.769 1.00 0.00 H new ATOM 0 HB3 GLN A 84 3.282 -0.523 8.756 1.00 0.00 H new ATOM 0 HG2 GLN A 84 1.885 -0.217 10.694 1.00 0.00 H new ATOM 0 HG3 GLN A 84 0.957 1.043 9.906 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -0.995 0.440 9.216 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -1.435 -1.183 8.672 1.00 0.00 H new ATOM 1167 N LEU A 85 4.728 1.933 7.090 1.00 0.00 N ATOM 1168 CA LEU A 85 5.923 2.011 6.255 1.00 0.00 C ATOM 1169 C LEU A 85 6.985 2.824 6.982 1.00 0.00 C ATOM 1170 O LEU A 85 8.133 2.395 7.134 1.00 0.00 O ATOM 1171 CB LEU A 85 5.592 2.674 4.912 1.00 0.00 C ATOM 1172 CG LEU A 85 5.714 1.775 3.681 1.00 0.00 C ATOM 1173 CD1 LEU A 85 4.662 2.156 2.646 1.00 0.00 C ATOM 1174 CD2 LEU A 85 7.116 1.868 3.085 1.00 0.00 C ATOM 0 H LEU A 85 3.861 2.176 6.611 1.00 0.00 H new ATOM 0 HA LEU A 85 6.294 1.004 6.063 1.00 0.00 H new ATOM 0 HB2 LEU A 85 4.573 3.058 4.959 1.00 0.00 H new ATOM 0 HB3 LEU A 85 6.251 3.532 4.779 1.00 0.00 H new ATOM 0 HG LEU A 85 5.543 0.742 3.985 1.00 0.00 H new ATOM 0 HD11 LEU A 85 4.759 1.509 1.774 1.00 0.00 H new ATOM 0 HD12 LEU A 85 3.668 2.038 3.077 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.806 3.194 2.346 1.00 0.00 H new ATOM 0 HD21 LEU A 85 7.183 1.221 2.210 1.00 0.00 H new ATOM 0 HD22 LEU A 85 7.319 2.898 2.791 1.00 0.00 H new ATOM 0 HD23 LEU A 85 7.849 1.551 3.827 1.00 0.00 H new ATOM 1180 N ASN A 86 6.572 3.999 7.454 1.00 0.00 N ATOM 1181 CA ASN A 86 7.460 4.877 8.196 1.00 0.00 C ATOM 1182 C ASN A 86 7.967 4.160 9.436 1.00 0.00 C ATOM 1183 O ASN A 86 9.144 4.246 9.773 1.00 0.00 O ATOM 1184 CB ASN A 86 6.739 6.173 8.579 1.00 0.00 C ATOM 1185 CG ASN A 86 7.649 7.383 8.505 1.00 0.00 C ATOM 1186 OD1 ASN A 86 8.874 7.254 8.498 1.00 0.00 O ATOM 1187 ND2 ASN A 86 7.054 8.569 8.447 1.00 0.00 N ATOM 0 H ASN A 86 5.626 4.361 7.333 1.00 0.00 H new ATOM 0 HA ASN A 86 8.310 5.138 7.565 1.00 0.00 H new ATOM 0 HB2 ASN A 86 5.887 6.321 7.916 1.00 0.00 H new ATOM 0 HB3 ASN A 86 6.343 6.080 9.590 1.00 0.00 H new ATOM 0 HD21 ASN A 86 7.615 9.419 8.394 1.00 0.00 H new ATOM 0 HD22 ASN A 86 6.036 8.630 8.455 1.00 0.00 H new ATOM 1192 N LYS A 87 7.076 3.421 10.096 1.00 0.00 N ATOM 1193 CA LYS A 87 7.456 2.661 11.281 1.00 0.00 C ATOM 1194 C LYS A 87 8.575 1.694 10.931 1.00 0.00 C ATOM 1195 O LYS A 87 9.602 1.641 11.607 1.00 0.00 O ATOM 1196 CB LYS A 87 6.263 1.878 11.828 1.00 0.00 C ATOM 1197 CG LYS A 87 5.963 2.167 13.289 1.00 0.00 C ATOM 1198 CD LYS A 87 5.321 0.969 13.973 1.00 0.00 C ATOM 1199 CE LYS A 87 4.958 1.280 15.417 1.00 0.00 C ATOM 1200 NZ LYS A 87 5.960 0.732 16.372 1.00 0.00 N ATOM 0 H LYS A 87 6.095 3.334 9.831 1.00 0.00 H new ATOM 0 HA LYS A 87 7.796 3.360 12.045 1.00 0.00 H new ATOM 0 HB2 LYS A 87 5.381 2.112 11.232 1.00 0.00 H new ATOM 0 HB3 LYS A 87 6.454 0.811 11.709 1.00 0.00 H new ATOM 0 HG2 LYS A 87 6.886 2.431 13.806 1.00 0.00 H new ATOM 0 HG3 LYS A 87 5.299 3.028 13.362 1.00 0.00 H new ATOM 0 HD2 LYS A 87 4.425 0.674 13.427 1.00 0.00 H new ATOM 0 HD3 LYS A 87 6.006 0.122 13.943 1.00 0.00 H new ATOM 0 HE2 LYS A 87 4.884 2.360 15.548 1.00 0.00 H new ATOM 0 HE3 LYS A 87 3.976 0.864 15.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 5.676 0.965 17.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 6.013 -0.301 16.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 6.892 1.148 16.174 1.00 0.00 H new ATOM 1214 N LEU A 88 8.372 0.936 9.857 1.00 0.00 N ATOM 1215 CA LEU A 88 9.374 -0.018 9.408 1.00 0.00 C ATOM 1216 C LEU A 88 10.682 0.705 9.149 1.00 0.00 C ATOM 1217 O LEU A 88 11.721 0.374 9.722 1.00 0.00 O ATOM 1218 CB LEU A 88 8.922 -0.723 8.126 1.00 0.00 C ATOM 1219 CG LEU A 88 7.520 -1.324 8.165 1.00 0.00 C ATOM 1220 CD1 LEU A 88 7.214 -2.049 6.865 1.00 0.00 C ATOM 1221 CD2 LEU A 88 7.387 -2.266 9.346 1.00 0.00 C ATOM 0 H LEU A 88 7.527 0.965 9.286 1.00 0.00 H new ATOM 0 HA LEU A 88 9.510 -0.767 10.188 1.00 0.00 H new ATOM 0 HB2 LEU A 88 8.969 -0.009 7.304 1.00 0.00 H new ATOM 0 HB3 LEU A 88 9.633 -1.518 7.899 1.00 0.00 H new ATOM 0 HG LEU A 88 6.798 -0.516 8.282 1.00 0.00 H new ATOM 0 HD11 LEU A 88 6.210 -2.471 6.911 1.00 0.00 H new ATOM 0 HD12 LEU A 88 7.274 -1.347 6.034 1.00 0.00 H new ATOM 0 HD13 LEU A 88 7.938 -2.850 6.716 1.00 0.00 H new ATOM 0 HD21 LEU A 88 6.382 -2.688 9.363 1.00 0.00 H new ATOM 0 HD22 LEU A 88 8.117 -3.070 9.254 1.00 0.00 H new ATOM 0 HD23 LEU A 88 7.566 -1.717 10.271 1.00 0.00 H new ATOM 1227 N GLN A 89 10.609 1.710 8.288 1.00 0.00 N ATOM 1228 CA GLN A 89 11.778 2.512 7.948 1.00 0.00 C ATOM 1229 C GLN A 89 12.362 3.157 9.203 1.00 0.00 C ATOM 1230 O GLN A 89 13.559 3.431 9.275 1.00 0.00 O ATOM 1231 CB GLN A 89 11.406 3.591 6.927 1.00 0.00 C ATOM 1232 CG GLN A 89 10.885 3.032 5.613 1.00 0.00 C ATOM 1233 CD GLN A 89 10.961 4.031 4.483 1.00 0.00 C ATOM 1234 OE1 GLN A 89 11.397 5.167 4.667 1.00 0.00 O ATOM 1235 NE2 GLN A 89 10.534 3.606 3.304 1.00 0.00 N ATOM 0 H GLN A 89 9.752 1.990 7.811 1.00 0.00 H new ATOM 0 HA GLN A 89 12.530 1.857 7.507 1.00 0.00 H new ATOM 0 HB2 GLN A 89 10.648 4.244 7.360 1.00 0.00 H new ATOM 0 HB3 GLN A 89 12.282 4.208 6.728 1.00 0.00 H new ATOM 0 HG2 GLN A 89 11.460 2.145 5.347 1.00 0.00 H new ATOM 0 HG3 GLN A 89 9.850 2.715 5.743 1.00 0.00 H new ATOM 0 HE21 GLN A 89 10.181 2.654 3.202 1.00 0.00 H new ATOM 0 HE22 GLN A 89 10.558 4.230 2.498 1.00 0.00 H new ATOM 1242 N HIS A 90 11.501 3.389 10.192 1.00 0.00 N ATOM 1243 CA HIS A 90 11.915 3.991 11.453 1.00 0.00 C ATOM 1244 C HIS A 90 12.655 2.979 12.311 1.00 0.00 C ATOM 1245 O HIS A 90 13.769 3.229 12.771 1.00 0.00 O ATOM 1246 CB HIS A 90 10.693 4.496 12.219 1.00 0.00 C ATOM 1247 CG HIS A 90 10.152 5.795 11.708 1.00 0.00 C ATOM 1248 ND1 HIS A 90 10.953 6.798 11.205 1.00 0.00 N ATOM 1249 CD2 HIS A 90 8.880 6.254 11.622 1.00 0.00 C ATOM 1250 CE1 HIS A 90 10.198 7.817 10.834 1.00 0.00 C ATOM 1251 NE2 HIS A 90 8.938 7.512 11.076 1.00 0.00 N ATOM 0 H HIS A 90 10.507 3.167 10.141 1.00 0.00 H new ATOM 0 HA HIS A 90 12.580 4.825 11.229 1.00 0.00 H new ATOM 0 HB2 HIS A 90 9.908 3.742 12.169 1.00 0.00 H new ATOM 0 HB3 HIS A 90 10.957 4.612 13.270 1.00 0.00 H new ATOM 0 HD1 HIS A 90 11.970 6.760 11.131 1.00 0.00 H new ATOM 0 HD2 HIS A 90 7.987 5.728 11.926 1.00 0.00 H new ATOM 0 HE1 HIS A 90 10.553 8.743 10.405 1.00 0.00 H new