USER MOD reduce.3.24.130724 H: found=0, std=0, add=867, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 738 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 5 GLN :FLIP amide:sc= -2.11 F(o=-7.6,f=-5.5) USER MOD Set 1.2: A 78 GLN : amide:sc= -0.952 K(o=-5.5,f=-6) USER MOD Set 1.3: A 89 GLN :FLIP amide:sc= -2.42 F(o=-6,f=-5.5) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -134:sc= -3.11! (180deg=-6.63!) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.0861 USER MOD Single : A 20 THR OG1 : rot 50:sc= -8! USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.0954 USER MOD Single : A 31 LYS NZ :NH3+ -170:sc= -1.21 (180deg=-1.42) USER MOD Single : A 32 SER OG : rot -28:sc= 0.178 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 120:sc= -6.82! USER MOD Single : A 44 MET CE :methyl 146:sc= -0.178 (180deg=-1.3) USER MOD Single : A 50 GLN : amide:sc= -0.226 X(o=-0.23,f=0) USER MOD Single : A 51 THR OG1 : rot 140:sc= -0.0255 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 TYR OH : rot -22:sc= 0.0128 USER MOD Single : A 58 LYS NZ :NH3+ 156:sc= 0.0979 (180deg=0.015) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 ASN : amide:sc= -0.593 X(o=-0.59,f=-0.25) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 SER OG : rot 58:sc= 0.452 USER MOD Single : A 99 ASN :FLIP amide:sc= 0 F(o=-1,f=0) USER MOD Single : A 105 ASN :FLIP amide:sc= -1.04 F(o=-1.7,f=-1) USER MOD Single : A 107 GLN : amide:sc=-0.00317 K(o=-0.0032,f=-0.52) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.259 5.938 -10.567 1.00 0.00 N ATOM 2 CA MET A 1 -13.217 5.144 -11.315 1.00 0.00 C ATOM 3 C MET A 1 -12.544 3.922 -11.945 1.00 0.00 C ATOM 4 O MET A 1 -13.030 2.801 -11.808 1.00 0.00 O ATOM 5 CB MET A 1 -13.846 6.003 -12.414 1.00 0.00 C ATOM 6 CG MET A 1 -15.368 5.850 -12.426 1.00 0.00 C ATOM 7 SD MET A 1 -16.068 6.823 -13.749 1.00 0.00 S ATOM 8 CE MET A 1 -17.669 7.191 -13.048 1.00 0.00 C ATOM 0 H1 MET A 1 -12.664 6.191 -9.643 1.00 0.00 H new ATOM 0 H2 MET A 1 -11.388 5.388 -10.424 1.00 0.00 H new ATOM 0 H3 MET A 1 -12.038 6.805 -11.097 1.00 0.00 H new ATOM 0 HA MET A 1 -13.988 4.797 -10.627 1.00 0.00 H new ATOM 0 HB2 MET A 1 -13.583 7.049 -12.258 1.00 0.00 H new ATOM 0 HB3 MET A 1 -13.440 5.714 -13.383 1.00 0.00 H new ATOM 0 HG2 MET A 1 -15.635 4.801 -12.554 1.00 0.00 H new ATOM 0 HG3 MET A 1 -15.782 6.170 -11.470 1.00 0.00 H new ATOM 0 HE1 MET A 1 -18.242 7.797 -13.749 1.00 0.00 H new ATOM 0 HE2 MET A 1 -18.203 6.261 -12.852 1.00 0.00 H new ATOM 0 HE3 MET A 1 -17.540 7.739 -12.115 1.00 0.00 H new ATOM 16 N PRO A 2 -11.406 4.188 -12.641 1.00 0.00 N ATOM 17 CA PRO A 2 -10.660 3.124 -13.291 1.00 0.00 C ATOM 18 C PRO A 2 -9.883 2.294 -12.268 1.00 0.00 C ATOM 19 O PRO A 2 -9.975 1.068 -12.258 1.00 0.00 O ATOM 20 CB PRO A 2 -9.759 3.830 -14.291 1.00 0.00 C ATOM 21 CG PRO A 2 -9.694 5.280 -13.842 1.00 0.00 C ATOM 22 CD PRO A 2 -10.800 5.503 -12.824 1.00 0.00 C ATOM 0 HA PRO A 2 -11.306 2.405 -13.795 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -8.766 3.381 -14.307 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -10.160 3.752 -15.301 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -8.721 5.500 -13.403 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -9.818 5.949 -14.693 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -10.402 5.890 -11.886 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -11.529 6.228 -13.184 1.00 0.00 H new ATOM 27 N VAL A 3 -9.133 2.996 -11.431 1.00 0.00 N ATOM 28 CA VAL A 3 -8.340 2.340 -10.406 1.00 0.00 C ATOM 29 C VAL A 3 -8.871 2.733 -9.026 1.00 0.00 C ATOM 30 O VAL A 3 -8.517 3.786 -8.498 1.00 0.00 O ATOM 31 CB VAL A 3 -6.859 2.676 -10.594 1.00 0.00 C ATOM 32 CG1 VAL A 3 -6.565 4.115 -10.168 1.00 0.00 C ATOM 33 CG2 VAL A 3 -5.972 1.686 -9.838 1.00 0.00 C ATOM 0 H VAL A 3 -9.058 4.013 -11.442 1.00 0.00 H new ATOM 0 HA VAL A 3 -8.427 1.257 -10.492 1.00 0.00 H new ATOM 0 HB VAL A 3 -6.627 2.588 -11.655 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -5.506 4.328 -10.312 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -7.158 4.802 -10.772 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -6.821 4.243 -9.116 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -4.925 1.948 -9.988 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -6.207 1.726 -8.774 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -6.151 0.678 -10.212 1.00 0.00 H new ATOM 43 N THR A 4 -9.711 1.865 -8.481 1.00 0.00 N ATOM 44 CA THR A 4 -10.294 2.109 -7.172 1.00 0.00 C ATOM 45 C THR A 4 -9.456 1.439 -6.082 1.00 0.00 C ATOM 46 O THR A 4 -8.377 0.917 -6.356 1.00 0.00 O ATOM 47 CB THR A 4 -11.747 1.629 -7.205 1.00 0.00 C ATOM 48 OG1 THR A 4 -12.388 2.394 -6.188 1.00 0.00 O ATOM 49 CG2 THR A 4 -11.896 0.182 -6.733 1.00 0.00 C ATOM 0 H THR A 4 -10.002 0.992 -8.922 1.00 0.00 H new ATOM 0 HA THR A 4 -10.294 3.172 -6.930 1.00 0.00 H new ATOM 0 HB THR A 4 -12.137 1.722 -8.218 1.00 0.00 H new ATOM 0 HG1 THR A 4 -13.335 2.148 -6.142 1.00 0.00 H new ATOM 0 HG21 THR A 4 -12.946 -0.108 -6.776 1.00 0.00 H new ATOM 0 HG22 THR A 4 -11.311 -0.473 -7.379 1.00 0.00 H new ATOM 0 HG23 THR A 4 -11.537 0.095 -5.707 1.00 0.00 H new ATOM 57 N GLN A 5 -9.986 1.473 -4.868 1.00 0.00 N ATOM 58 CA GLN A 5 -9.301 0.875 -3.735 1.00 0.00 C ATOM 59 C GLN A 5 -9.167 -0.637 -3.933 1.00 0.00 C ATOM 60 O GLN A 5 -8.057 -1.161 -4.000 1.00 0.00 O ATOM 61 CB GLN A 5 -10.026 1.194 -2.425 1.00 0.00 C ATOM 62 CG GLN A 5 -9.292 0.583 -1.230 1.00 0.00 C ATOM 63 CD GLN A 5 -8.188 1.517 -0.728 1.00 0.00 C ATOM 64 OE1 GLN A 5 -7.098 1.525 -1.490 1.00 0.00 O flip ATOM 65 NE2 GLN A 5 -8.318 2.186 0.284 1.00 0.00 N flip ATOM 0 H GLN A 5 -10.882 1.906 -4.644 1.00 0.00 H new ATOM 0 HA GLN A 5 -8.301 1.304 -3.673 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -10.098 2.274 -2.299 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -11.045 0.809 -2.466 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -10.001 0.386 -0.425 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -8.860 -0.376 -1.516 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -9.182 2.132 0.823 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -7.563 2.799 0.591 1.00 0.00 H new ATOM 72 N GLU A 6 -10.314 -1.294 -4.022 1.00 0.00 N ATOM 73 CA GLU A 6 -10.338 -2.734 -4.212 1.00 0.00 C ATOM 74 C GLU A 6 -9.482 -3.125 -5.417 1.00 0.00 C ATOM 75 O GLU A 6 -9.107 -4.287 -5.566 1.00 0.00 O ATOM 76 CB GLU A 6 -11.773 -3.242 -4.370 1.00 0.00 C ATOM 77 CG GLU A 6 -12.257 -3.927 -3.091 1.00 0.00 C ATOM 78 CD GLU A 6 -13.677 -3.484 -2.735 1.00 0.00 C ATOM 79 OE1 GLU A 6 -14.082 -2.363 -3.078 1.00 0.00 O ATOM 80 OE2 GLU A 6 -14.371 -4.352 -2.079 1.00 0.00 O ATOM 0 H GLU A 6 -11.233 -0.856 -3.966 1.00 0.00 H new ATOM 0 HA GLU A 6 -9.916 -3.205 -3.324 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -12.433 -2.409 -4.612 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -11.825 -3.942 -5.204 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -12.232 -5.009 -3.222 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -11.581 -3.690 -2.269 1.00 0.00 H new ATOM 86 N GLU A 7 -9.198 -2.133 -6.248 1.00 0.00 N ATOM 87 CA GLU A 7 -8.392 -2.359 -7.436 1.00 0.00 C ATOM 88 C GLU A 7 -6.915 -2.488 -7.059 1.00 0.00 C ATOM 89 O GLU A 7 -6.224 -3.385 -7.540 1.00 0.00 O ATOM 90 CB GLU A 7 -8.602 -1.242 -8.461 1.00 0.00 C ATOM 91 CG GLU A 7 -9.371 -1.754 -9.681 1.00 0.00 C ATOM 92 CD GLU A 7 -8.415 -2.312 -10.737 1.00 0.00 C ATOM 93 OE1 GLU A 7 -7.200 -2.077 -10.660 1.00 0.00 O ATOM 94 OE2 GLU A 7 -8.975 -3.013 -11.663 1.00 0.00 O ATOM 0 H GLU A 7 -9.512 -1.171 -6.122 1.00 0.00 H new ATOM 0 HA GLU A 7 -8.711 -3.294 -7.896 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -9.149 -0.419 -8.001 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -7.636 -0.846 -8.775 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -10.072 -2.530 -9.374 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -9.960 -0.944 -10.110 1.00 0.00 H new ATOM 100 N ILE A 8 -6.474 -1.578 -6.203 1.00 0.00 N ATOM 101 CA ILE A 8 -5.091 -1.578 -5.756 1.00 0.00 C ATOM 102 C ILE A 8 -4.976 -2.402 -4.472 1.00 0.00 C ATOM 103 O ILE A 8 -3.878 -2.593 -3.950 1.00 0.00 O ATOM 104 CB ILE A 8 -4.573 -0.146 -5.617 1.00 0.00 C ATOM 105 CG1 ILE A 8 -5.050 0.726 -6.780 1.00 0.00 C ATOM 106 CG2 ILE A 8 -3.050 -0.125 -5.472 1.00 0.00 C ATOM 107 CD1 ILE A 8 -4.828 2.210 -6.481 1.00 0.00 C ATOM 0 H ILE A 8 -7.050 -0.835 -5.807 1.00 0.00 H new ATOM 0 HA ILE A 8 -4.450 -2.053 -6.499 1.00 0.00 H new ATOM 0 HB ILE A 8 -4.989 0.280 -4.704 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -4.515 0.451 -7.689 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -6.108 0.543 -6.966 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -2.708 0.905 -5.375 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -2.761 -0.688 -4.585 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -2.594 -0.577 -6.353 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -5.176 2.807 -7.324 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -5.384 2.488 -5.586 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -3.766 2.394 -6.320 1.00 0.00 H new ATOM 118 N ILE A 9 -6.122 -2.868 -4.000 1.00 0.00 N ATOM 119 CA ILE A 9 -6.163 -3.666 -2.787 1.00 0.00 C ATOM 120 C ILE A 9 -6.411 -5.131 -3.153 1.00 0.00 C ATOM 121 O ILE A 9 -5.787 -6.029 -2.590 1.00 0.00 O ATOM 122 CB ILE A 9 -7.189 -3.096 -1.804 1.00 0.00 C ATOM 123 CG1 ILE A 9 -6.775 -1.703 -1.326 1.00 0.00 C ATOM 124 CG2 ILE A 9 -7.422 -4.058 -0.636 1.00 0.00 C ATOM 125 CD1 ILE A 9 -7.364 -1.400 0.053 1.00 0.00 C ATOM 0 H ILE A 9 -7.030 -2.708 -4.436 1.00 0.00 H new ATOM 0 HA ILE A 9 -5.204 -3.623 -2.271 1.00 0.00 H new ATOM 0 HB ILE A 9 -8.140 -2.987 -2.326 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -5.688 -1.637 -1.284 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -7.112 -0.954 -2.042 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -8.155 -3.629 0.048 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -7.794 -5.009 -1.017 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -6.483 -4.221 -0.106 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -7.055 -0.404 0.370 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -8.452 -1.443 0.001 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -7.006 -2.137 0.772 1.00 0.00 H new ATOM 136 N ALA A 10 -7.322 -5.326 -4.094 1.00 0.00 N ATOM 137 CA ALA A 10 -7.660 -6.667 -4.543 1.00 0.00 C ATOM 138 C ALA A 10 -6.792 -7.030 -5.749 1.00 0.00 C ATOM 139 O ALA A 10 -6.408 -8.186 -5.917 1.00 0.00 O ATOM 140 CB ALA A 10 -9.155 -6.737 -4.858 1.00 0.00 C ATOM 0 H ALA A 10 -7.837 -4.578 -4.559 1.00 0.00 H new ATOM 0 HA ALA A 10 -7.457 -7.397 -3.760 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -9.409 -7.742 -5.195 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -9.727 -6.499 -3.961 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -9.395 -6.020 -5.643 1.00 0.00 H new ATOM 146 N GLY A 11 -6.508 -6.021 -6.559 1.00 0.00 N ATOM 147 CA GLY A 11 -5.692 -6.218 -7.745 1.00 0.00 C ATOM 148 C GLY A 11 -4.232 -6.479 -7.369 1.00 0.00 C ATOM 149 O GLY A 11 -3.572 -7.322 -7.974 1.00 0.00 O ATOM 0 H GLY A 11 -6.829 -5.063 -6.417 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -6.079 -7.059 -8.321 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -5.755 -5.337 -8.384 1.00 0.00 H new ATOM 153 N ILE A 12 -3.770 -5.737 -6.372 1.00 0.00 N ATOM 154 CA ILE A 12 -2.400 -5.877 -5.909 1.00 0.00 C ATOM 155 C ILE A 12 -2.283 -7.139 -5.052 1.00 0.00 C ATOM 156 O ILE A 12 -1.429 -7.988 -5.305 1.00 0.00 O ATOM 157 CB ILE A 12 -1.945 -4.603 -5.194 1.00 0.00 C ATOM 158 CG1 ILE A 12 -1.842 -3.432 -6.172 1.00 0.00 C ATOM 159 CG2 ILE A 12 -0.634 -4.837 -4.441 1.00 0.00 C ATOM 160 CD1 ILE A 12 -0.542 -2.653 -5.963 1.00 0.00 C ATOM 0 H ILE A 12 -4.320 -5.038 -5.873 1.00 0.00 H new ATOM 0 HA ILE A 12 -1.722 -6.001 -6.753 1.00 0.00 H new ATOM 0 HB ILE A 12 -2.700 -4.338 -4.454 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -1.886 -3.804 -7.196 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -2.694 -2.766 -6.038 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.332 -3.916 -3.941 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -0.776 -5.623 -3.699 1.00 0.00 H new ATOM 0 HG23 ILE A 12 0.141 -5.139 -5.145 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -0.495 -1.826 -6.672 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -0.512 -2.261 -4.946 1.00 0.00 H new ATOM 0 HD13 ILE A 12 0.309 -3.316 -6.122 1.00 0.00 H new ATOM 171 N ALA A 13 -3.152 -7.223 -4.056 1.00 0.00 N ATOM 172 CA ALA A 13 -3.156 -8.367 -3.160 1.00 0.00 C ATOM 173 C ALA A 13 -2.947 -9.647 -3.973 1.00 0.00 C ATOM 174 O ALA A 13 -2.125 -10.487 -3.614 1.00 0.00 O ATOM 175 CB ALA A 13 -4.463 -8.389 -2.365 1.00 0.00 C ATOM 0 H ALA A 13 -3.859 -6.517 -3.849 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.339 -8.295 -2.442 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.466 -9.247 -1.693 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.550 -7.472 -1.783 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -5.306 -8.464 -3.052 1.00 0.00 H new ATOM 181 N GLU A 14 -3.706 -9.753 -5.054 1.00 0.00 N ATOM 182 CA GLU A 14 -3.614 -10.915 -5.922 1.00 0.00 C ATOM 183 C GLU A 14 -2.184 -11.079 -6.441 1.00 0.00 C ATOM 184 O GLU A 14 -1.623 -12.172 -6.392 1.00 0.00 O ATOM 185 CB GLU A 14 -4.609 -10.816 -7.079 1.00 0.00 C ATOM 186 CG GLU A 14 -5.987 -11.335 -6.662 1.00 0.00 C ATOM 187 CD GLU A 14 -6.899 -11.509 -7.880 1.00 0.00 C ATOM 188 OE1 GLU A 14 -6.904 -12.580 -8.502 1.00 0.00 O ATOM 189 OE2 GLU A 14 -7.620 -10.480 -8.172 1.00 0.00 O ATOM 0 H GLU A 14 -4.387 -9.053 -5.349 1.00 0.00 H new ATOM 0 HA GLU A 14 -3.872 -11.800 -5.340 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -4.690 -9.779 -7.406 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -4.242 -11.391 -7.929 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.879 -12.288 -6.145 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.444 -10.640 -5.958 1.00 0.00 H new ATOM 195 N ILE A 15 -1.635 -9.975 -6.927 1.00 0.00 N ATOM 196 CA ILE A 15 -0.282 -9.982 -7.455 1.00 0.00 C ATOM 197 C ILE A 15 0.696 -10.346 -6.336 1.00 0.00 C ATOM 198 O ILE A 15 1.635 -11.110 -6.552 1.00 0.00 O ATOM 199 CB ILE A 15 0.034 -8.649 -8.138 1.00 0.00 C ATOM 200 CG1 ILE A 15 -0.837 -8.449 -9.379 1.00 0.00 C ATOM 201 CG2 ILE A 15 1.526 -8.539 -8.460 1.00 0.00 C ATOM 202 CD1 ILE A 15 -0.488 -7.140 -10.089 1.00 0.00 C ATOM 0 H ILE A 15 -2.103 -9.070 -6.966 1.00 0.00 H new ATOM 0 HA ILE A 15 -0.179 -10.743 -8.229 1.00 0.00 H new ATOM 0 HB ILE A 15 -0.206 -7.844 -7.444 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -0.699 -9.286 -10.063 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -1.889 -8.442 -9.092 1.00 0.00 H new ATOM 0 HG21 ILE A 15 1.724 -7.583 -8.945 1.00 0.00 H new ATOM 0 HG22 ILE A 15 2.103 -8.605 -7.538 1.00 0.00 H new ATOM 0 HG23 ILE A 15 1.815 -9.351 -9.127 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -1.122 -7.023 -10.968 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -0.651 -6.303 -9.410 1.00 0.00 H new ATOM 0 HD13 ILE A 15 0.558 -7.160 -10.396 1.00 0.00 H new ATOM 213 N ILE A 16 0.441 -9.782 -5.164 1.00 0.00 N ATOM 214 CA ILE A 16 1.287 -10.037 -4.011 1.00 0.00 C ATOM 215 C ILE A 16 1.401 -11.548 -3.792 1.00 0.00 C ATOM 216 O ILE A 16 2.423 -12.034 -3.310 1.00 0.00 O ATOM 217 CB ILE A 16 0.771 -9.276 -2.789 1.00 0.00 C ATOM 218 CG1 ILE A 16 0.822 -7.765 -3.021 1.00 0.00 C ATOM 219 CG2 ILE A 16 1.529 -9.687 -1.525 1.00 0.00 C ATOM 220 CD1 ILE A 16 0.788 -7.004 -1.695 1.00 0.00 C ATOM 0 H ILE A 16 -0.340 -9.149 -4.989 1.00 0.00 H new ATOM 0 HA ILE A 16 2.295 -9.663 -4.188 1.00 0.00 H new ATOM 0 HB ILE A 16 -0.275 -9.544 -2.638 1.00 0.00 H new ATOM 0 HG12 ILE A 16 1.729 -7.508 -3.568 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -0.021 -7.460 -3.641 1.00 0.00 H new ATOM 0 HG21 ILE A 16 1.142 -9.131 -0.671 1.00 0.00 H new ATOM 0 HG22 ILE A 16 1.396 -10.755 -1.352 1.00 0.00 H new ATOM 0 HG23 ILE A 16 2.590 -9.469 -1.650 1.00 0.00 H new ATOM 0 HD11 ILE A 16 0.825 -5.932 -1.890 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -0.132 -7.244 -1.161 1.00 0.00 H new ATOM 0 HD13 ILE A 16 1.646 -7.293 -1.088 1.00 0.00 H new ATOM 231 N GLU A 17 0.337 -12.248 -4.156 1.00 0.00 N ATOM 232 CA GLU A 17 0.303 -13.693 -4.006 1.00 0.00 C ATOM 233 C GLU A 17 1.113 -14.360 -5.120 1.00 0.00 C ATOM 234 O GLU A 17 1.175 -15.587 -5.197 1.00 0.00 O ATOM 235 CB GLU A 17 -1.136 -14.210 -3.989 1.00 0.00 C ATOM 236 CG GLU A 17 -1.183 -15.687 -3.593 1.00 0.00 C ATOM 237 CD GLU A 17 -1.936 -16.511 -4.638 1.00 0.00 C ATOM 238 OE1 GLU A 17 -2.997 -16.084 -5.119 1.00 0.00 O ATOM 239 OE2 GLU A 17 -1.382 -17.634 -4.950 1.00 0.00 O ATOM 0 H GLU A 17 -0.509 -11.841 -4.555 1.00 0.00 H new ATOM 0 HA GLU A 17 0.756 -13.950 -3.049 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.729 -13.623 -3.288 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.585 -14.079 -4.974 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.168 -16.070 -3.484 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.669 -15.792 -2.623 1.00 0.00 H new ATOM 245 N GLU A 18 1.712 -13.525 -5.955 1.00 0.00 N ATOM 246 CA GLU A 18 2.515 -14.019 -7.060 1.00 0.00 C ATOM 247 C GLU A 18 4.003 -13.794 -6.779 1.00 0.00 C ATOM 248 O GLU A 18 4.782 -14.744 -6.744 1.00 0.00 O ATOM 249 CB GLU A 18 2.100 -13.360 -8.377 1.00 0.00 C ATOM 250 CG GLU A 18 0.616 -13.599 -8.666 1.00 0.00 C ATOM 251 CD GLU A 18 0.436 -14.552 -9.851 1.00 0.00 C ATOM 252 OE1 GLU A 18 0.093 -15.726 -9.654 1.00 0.00 O ATOM 253 OE2 GLU A 18 0.663 -14.030 -11.009 1.00 0.00 O ATOM 0 H GLU A 18 1.657 -12.509 -5.889 1.00 0.00 H new ATOM 0 HA GLU A 18 2.342 -15.091 -7.158 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.297 -12.289 -8.330 1.00 0.00 H new ATOM 0 HB3 GLU A 18 2.702 -13.759 -9.193 1.00 0.00 H new ATOM 0 HG2 GLU A 18 0.132 -14.015 -7.783 1.00 0.00 H new ATOM 0 HG3 GLU A 18 0.126 -12.649 -8.880 1.00 0.00 H new ATOM 259 N VAL A 19 4.350 -12.530 -6.587 1.00 0.00 N ATOM 260 CA VAL A 19 5.730 -12.168 -6.310 1.00 0.00 C ATOM 261 C VAL A 19 6.041 -12.446 -4.838 1.00 0.00 C ATOM 262 O VAL A 19 6.866 -13.303 -4.526 1.00 0.00 O ATOM 263 CB VAL A 19 5.978 -10.711 -6.709 1.00 0.00 C ATOM 264 CG1 VAL A 19 7.468 -10.369 -6.638 1.00 0.00 C ATOM 265 CG2 VAL A 19 5.414 -10.419 -8.101 1.00 0.00 C ATOM 0 H VAL A 19 3.700 -11.744 -6.618 1.00 0.00 H new ATOM 0 HA VAL A 19 6.411 -12.775 -6.906 1.00 0.00 H new ATOM 0 HB VAL A 19 5.454 -10.075 -5.996 1.00 0.00 H new ATOM 0 HG11 VAL A 19 7.617 -9.328 -6.926 1.00 0.00 H new ATOM 0 HG12 VAL A 19 7.827 -10.518 -5.620 1.00 0.00 H new ATOM 0 HG13 VAL A 19 8.023 -11.016 -7.317 1.00 0.00 H new ATOM 0 HG21 VAL A 19 5.604 -9.377 -8.359 1.00 0.00 H new ATOM 0 HG22 VAL A 19 5.896 -11.068 -8.832 1.00 0.00 H new ATOM 0 HG23 VAL A 19 4.340 -10.604 -8.104 1.00 0.00 H new ATOM 275 N THR A 20 5.362 -11.707 -3.973 1.00 0.00 N ATOM 276 CA THR A 20 5.555 -11.864 -2.541 1.00 0.00 C ATOM 277 C THR A 20 5.128 -13.264 -2.096 1.00 0.00 C ATOM 278 O THR A 20 5.763 -13.864 -1.229 1.00 0.00 O ATOM 279 CB THR A 20 4.792 -10.742 -1.836 1.00 0.00 C ATOM 280 OG1 THR A 20 3.912 -10.238 -2.836 1.00 0.00 O ATOM 281 CG2 THR A 20 5.687 -9.550 -1.492 1.00 0.00 C ATOM 0 H THR A 20 4.678 -10.998 -4.236 1.00 0.00 H new ATOM 0 HA THR A 20 6.608 -11.779 -2.271 1.00 0.00 H new ATOM 0 HB THR A 20 4.339 -11.130 -0.924 1.00 0.00 H new ATOM 0 HG1 THR A 20 3.430 -10.982 -3.253 1.00 0.00 H new ATOM 0 HG21 THR A 20 5.095 -8.783 -0.993 1.00 0.00 H new ATOM 0 HG22 THR A 20 6.489 -9.876 -0.830 1.00 0.00 H new ATOM 0 HG23 THR A 20 6.115 -9.140 -2.407 1.00 0.00 H new ATOM 289 N GLY A 21 4.055 -13.744 -2.709 1.00 0.00 N ATOM 290 CA GLY A 21 3.536 -15.061 -2.386 1.00 0.00 C ATOM 291 C GLY A 21 2.660 -15.014 -1.131 1.00 0.00 C ATOM 292 O GLY A 21 2.449 -16.035 -0.480 1.00 0.00 O ATOM 0 H GLY A 21 3.532 -13.244 -3.427 1.00 0.00 H new ATOM 0 HA2 GLY A 21 2.955 -15.442 -3.225 1.00 0.00 H new ATOM 0 HA3 GLY A 21 4.363 -15.754 -2.230 1.00 0.00 H new ATOM 296 N ILE A 22 2.176 -13.818 -0.832 1.00 0.00 N ATOM 297 CA ILE A 22 1.329 -13.624 0.332 1.00 0.00 C ATOM 298 C ILE A 22 -0.133 -13.837 -0.066 1.00 0.00 C ATOM 299 O ILE A 22 -0.458 -13.879 -1.252 1.00 0.00 O ATOM 300 CB ILE A 22 1.600 -12.260 0.970 1.00 0.00 C ATOM 301 CG1 ILE A 22 3.053 -12.152 1.437 1.00 0.00 C ATOM 302 CG2 ILE A 22 0.611 -11.980 2.104 1.00 0.00 C ATOM 303 CD1 ILE A 22 3.574 -10.723 1.278 1.00 0.00 C ATOM 0 H ILE A 22 2.354 -12.974 -1.376 1.00 0.00 H new ATOM 0 HA ILE A 22 1.562 -14.361 1.100 1.00 0.00 H new ATOM 0 HB ILE A 22 1.448 -11.492 0.212 1.00 0.00 H new ATOM 0 HG12 ILE A 22 3.127 -12.456 2.481 1.00 0.00 H new ATOM 0 HG13 ILE A 22 3.676 -12.836 0.861 1.00 0.00 H new ATOM 0 HG21 ILE A 22 0.825 -11.005 2.541 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -0.405 -11.986 1.710 1.00 0.00 H new ATOM 0 HG23 ILE A 22 0.708 -12.750 2.870 1.00 0.00 H new ATOM 0 HD11 ILE A 22 4.609 -10.673 1.617 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.521 -10.431 0.229 1.00 0.00 H new ATOM 0 HD13 ILE A 22 2.964 -10.045 1.874 1.00 0.00 H new ATOM 314 N GLU A 23 -0.977 -13.967 0.949 1.00 0.00 N ATOM 315 CA GLU A 23 -2.396 -14.175 0.719 1.00 0.00 C ATOM 316 C GLU A 23 -3.040 -12.896 0.181 1.00 0.00 C ATOM 317 O GLU A 23 -2.573 -11.794 0.466 1.00 0.00 O ATOM 318 CB GLU A 23 -3.095 -14.644 1.997 1.00 0.00 C ATOM 319 CG GLU A 23 -3.486 -16.120 1.897 1.00 0.00 C ATOM 320 CD GLU A 23 -4.870 -16.362 2.503 1.00 0.00 C ATOM 321 OE1 GLU A 23 -5.852 -16.518 1.763 1.00 0.00 O ATOM 322 OE2 GLU A 23 -4.904 -16.386 3.793 1.00 0.00 O ATOM 0 H GLU A 23 -0.704 -13.932 1.931 1.00 0.00 H new ATOM 0 HA GLU A 23 -2.512 -14.959 -0.029 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.435 -14.496 2.852 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -3.985 -14.039 2.172 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -3.483 -16.431 0.852 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.747 -16.732 2.414 1.00 0.00 H new ATOM 328 N PRO A 24 -4.131 -13.089 -0.607 1.00 0.00 N ATOM 329 CA PRO A 24 -4.844 -11.964 -1.189 1.00 0.00 C ATOM 330 C PRO A 24 -5.690 -11.247 -0.134 1.00 0.00 C ATOM 331 O PRO A 24 -5.631 -10.025 -0.012 1.00 0.00 O ATOM 332 CB PRO A 24 -5.676 -12.562 -2.311 1.00 0.00 C ATOM 333 CG PRO A 24 -5.757 -14.053 -2.021 1.00 0.00 C ATOM 334 CD PRO A 24 -4.713 -14.380 -0.966 1.00 0.00 C ATOM 0 HA PRO A 24 -4.174 -11.196 -1.575 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -6.670 -12.115 -2.341 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -5.214 -12.377 -3.281 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -6.753 -14.320 -1.668 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -5.576 -14.629 -2.929 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -5.163 -14.866 -0.100 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -3.956 -15.061 -1.356 1.00 0.00 H new ATOM 339 N SER A 25 -6.458 -12.039 0.601 1.00 0.00 N ATOM 340 CA SER A 25 -7.314 -11.496 1.640 1.00 0.00 C ATOM 341 C SER A 25 -6.463 -10.950 2.788 1.00 0.00 C ATOM 342 O SER A 25 -6.893 -10.056 3.515 1.00 0.00 O ATOM 343 CB SER A 25 -8.289 -12.555 2.159 1.00 0.00 C ATOM 344 OG SER A 25 -9.629 -12.069 2.207 1.00 0.00 O ATOM 0 H SER A 25 -6.504 -13.053 0.497 1.00 0.00 H new ATOM 0 HA SER A 25 -7.898 -10.682 1.211 1.00 0.00 H new ATOM 0 HB2 SER A 25 -8.245 -13.434 1.516 1.00 0.00 H new ATOM 0 HB3 SER A 25 -7.983 -12.873 3.156 1.00 0.00 H new ATOM 0 HG SER A 25 -10.221 -12.775 2.542 1.00 0.00 H new ATOM 349 N GLU A 26 -5.270 -11.514 2.918 1.00 0.00 N ATOM 350 CA GLU A 26 -4.354 -11.096 3.965 1.00 0.00 C ATOM 351 C GLU A 26 -3.959 -9.630 3.772 1.00 0.00 C ATOM 352 O GLU A 26 -3.938 -8.857 4.728 1.00 0.00 O ATOM 353 CB GLU A 26 -3.118 -11.996 4.005 1.00 0.00 C ATOM 354 CG GLU A 26 -2.443 -11.942 5.377 1.00 0.00 C ATOM 355 CD GLU A 26 -1.324 -10.900 5.397 1.00 0.00 C ATOM 356 OE1 GLU A 26 -1.488 -9.802 4.845 1.00 0.00 O ATOM 357 OE2 GLU A 26 -0.251 -11.264 6.015 1.00 0.00 O ATOM 0 H GLU A 26 -4.917 -12.257 2.315 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.863 -11.191 4.924 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -3.404 -13.023 3.777 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -2.412 -11.684 3.236 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -3.182 -11.701 6.141 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -2.036 -12.922 5.625 1.00 0.00 H new ATOM 363 N ILE A 27 -3.657 -9.291 2.526 1.00 0.00 N ATOM 364 CA ILE A 27 -3.264 -7.933 2.195 1.00 0.00 C ATOM 365 C ILE A 27 -4.364 -6.966 2.637 1.00 0.00 C ATOM 366 O ILE A 27 -5.524 -7.356 2.765 1.00 0.00 O ATOM 367 CB ILE A 27 -2.911 -7.824 0.710 1.00 0.00 C ATOM 368 CG1 ILE A 27 -1.447 -8.196 0.466 1.00 0.00 C ATOM 369 CG2 ILE A 27 -3.247 -6.434 0.167 1.00 0.00 C ATOM 370 CD1 ILE A 27 -0.991 -9.292 1.433 1.00 0.00 C ATOM 0 H ILE A 27 -3.677 -9.934 1.735 1.00 0.00 H new ATOM 0 HA ILE A 27 -2.359 -7.656 2.736 1.00 0.00 H new ATOM 0 HB ILE A 27 -3.521 -8.540 0.160 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -1.321 -8.537 -0.562 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -0.819 -7.314 0.588 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -2.986 -6.384 -0.890 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -4.314 -6.244 0.287 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.681 -5.682 0.717 1.00 0.00 H new ATOM 0 HD11 ILE A 27 0.053 -9.538 1.238 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.095 -8.939 2.459 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -1.606 -10.181 1.291 1.00 0.00 H new ATOM 381 N THR A 28 -3.962 -5.723 2.859 1.00 0.00 N ATOM 382 CA THR A 28 -4.900 -4.698 3.285 1.00 0.00 C ATOM 383 C THR A 28 -4.268 -3.310 3.154 1.00 0.00 C ATOM 384 O THR A 28 -3.058 -3.191 2.967 1.00 0.00 O ATOM 385 CB THR A 28 -5.349 -5.029 4.709 1.00 0.00 C ATOM 386 OG1 THR A 28 -4.253 -5.756 5.259 1.00 0.00 O ATOM 387 CG2 THR A 28 -6.509 -6.026 4.740 1.00 0.00 C ATOM 0 H THR A 28 -3.000 -5.403 2.752 1.00 0.00 H new ATOM 0 HA THR A 28 -5.783 -4.681 2.647 1.00 0.00 H new ATOM 0 HB THR A 28 -5.644 -4.112 5.219 1.00 0.00 H new ATOM 0 HG1 THR A 28 -4.459 -6.009 6.183 1.00 0.00 H new ATOM 0 HG21 THR A 28 -6.789 -6.227 5.774 1.00 0.00 H new ATOM 0 HG22 THR A 28 -7.363 -5.607 4.208 1.00 0.00 H new ATOM 0 HG23 THR A 28 -6.203 -6.956 4.260 1.00 0.00 H new ATOM 395 N PRO A 29 -5.137 -2.270 3.261 1.00 0.00 N ATOM 396 CA PRO A 29 -4.677 -0.896 3.157 1.00 0.00 C ATOM 397 C PRO A 29 -3.949 -0.464 4.433 1.00 0.00 C ATOM 398 O PRO A 29 -3.518 0.682 4.547 1.00 0.00 O ATOM 399 CB PRO A 29 -5.930 -0.081 2.884 1.00 0.00 C ATOM 400 CG PRO A 29 -7.098 -0.959 3.305 1.00 0.00 C ATOM 401 CD PRO A 29 -6.576 -2.375 3.483 1.00 0.00 C ATOM 0 HA PRO A 29 -3.946 -0.756 2.361 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -5.920 0.852 3.448 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -6.001 0.185 1.829 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -7.535 -0.594 4.234 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -7.885 -0.934 2.551 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -6.796 -2.756 4.480 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -7.038 -3.060 2.771 1.00 0.00 H new ATOM 406 N GLU A 30 -3.835 -1.405 5.358 1.00 0.00 N ATOM 407 CA GLU A 30 -3.166 -1.135 6.620 1.00 0.00 C ATOM 408 C GLU A 30 -1.678 -1.473 6.515 1.00 0.00 C ATOM 409 O GLU A 30 -0.914 -1.226 7.448 1.00 0.00 O ATOM 410 CB GLU A 30 -3.824 -1.908 7.765 1.00 0.00 C ATOM 411 CG GLU A 30 -3.908 -3.402 7.442 1.00 0.00 C ATOM 412 CD GLU A 30 -3.513 -4.248 8.654 1.00 0.00 C ATOM 413 OE1 GLU A 30 -2.530 -3.929 9.339 1.00 0.00 O ATOM 414 OE2 GLU A 30 -4.268 -5.269 8.875 1.00 0.00 O ATOM 0 H GLU A 30 -4.194 -2.355 5.260 1.00 0.00 H new ATOM 0 HA GLU A 30 -3.262 -0.072 6.840 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -3.253 -1.762 8.682 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -4.824 -1.515 7.946 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -4.922 -3.654 7.133 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -3.252 -3.634 6.603 1.00 0.00 H new ATOM 420 N LYS A 31 -1.310 -2.032 5.372 1.00 0.00 N ATOM 421 CA LYS A 31 0.073 -2.407 5.133 1.00 0.00 C ATOM 422 C LYS A 31 0.928 -1.142 5.023 1.00 0.00 C ATOM 423 O LYS A 31 0.401 -0.049 4.823 1.00 0.00 O ATOM 424 CB LYS A 31 0.177 -3.327 3.915 1.00 0.00 C ATOM 425 CG LYS A 31 -0.569 -4.641 4.155 1.00 0.00 C ATOM 426 CD LYS A 31 0.227 -5.830 3.613 1.00 0.00 C ATOM 427 CE LYS A 31 0.279 -6.966 4.636 1.00 0.00 C ATOM 428 NZ LYS A 31 1.252 -7.999 4.215 1.00 0.00 N ATOM 0 H LYS A 31 -1.946 -2.234 4.601 1.00 0.00 H new ATOM 0 HA LYS A 31 0.461 -2.984 5.972 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -0.235 -2.825 3.040 1.00 0.00 H new ATOM 0 HB3 LYS A 31 1.225 -3.534 3.700 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -0.746 -4.773 5.222 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.546 -4.602 3.673 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -0.229 -6.187 2.690 1.00 0.00 H new ATOM 0 HD3 LYS A 31 1.240 -5.512 3.365 1.00 0.00 H new ATOM 0 HE2 LYS A 31 0.559 -6.571 5.613 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -0.710 -7.412 4.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 1.155 -8.836 4.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 1.069 -8.266 3.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 2.217 -7.621 4.298 1.00 0.00 H new ATOM 437 N SER A 32 2.231 -1.334 5.159 1.00 0.00 N ATOM 438 CA SER A 32 3.163 -0.221 5.077 1.00 0.00 C ATOM 439 C SER A 32 4.133 -0.436 3.913 1.00 0.00 C ATOM 440 O SER A 32 5.156 0.241 3.821 1.00 0.00 O ATOM 441 CB SER A 32 3.936 -0.054 6.387 1.00 0.00 C ATOM 442 OG SER A 32 4.073 1.316 6.754 1.00 0.00 O ATOM 0 H SER A 32 2.664 -2.242 5.325 1.00 0.00 H new ATOM 0 HA SER A 32 2.593 0.691 4.903 1.00 0.00 H new ATOM 0 HB2 SER A 32 3.422 -0.593 7.183 1.00 0.00 H new ATOM 0 HB3 SER A 32 4.924 -0.503 6.285 1.00 0.00 H new ATOM 0 HG SER A 32 4.064 1.873 5.948 1.00 0.00 H new ATOM 447 N PHE A 33 3.777 -1.380 3.054 1.00 0.00 N ATOM 448 CA PHE A 33 4.603 -1.692 1.900 1.00 0.00 C ATOM 449 C PHE A 33 5.780 -2.586 2.294 1.00 0.00 C ATOM 450 O PHE A 33 6.209 -3.433 1.512 1.00 0.00 O ATOM 451 CB PHE A 33 5.142 -0.364 1.365 1.00 0.00 C ATOM 452 CG PHE A 33 5.175 -0.275 -0.162 1.00 0.00 C ATOM 453 CD1 PHE A 33 4.017 -0.350 -0.872 1.00 0.00 C ATOM 454 CD2 PHE A 33 6.362 -0.122 -0.810 1.00 0.00 C ATOM 455 CE1 PHE A 33 4.047 -0.267 -2.290 1.00 0.00 C ATOM 456 CE2 PHE A 33 6.391 -0.041 -2.227 1.00 0.00 C ATOM 457 CZ PHE A 33 5.233 -0.116 -2.937 1.00 0.00 C ATOM 0 H PHE A 33 2.928 -1.939 3.134 1.00 0.00 H new ATOM 0 HA PHE A 33 4.014 -2.223 1.152 1.00 0.00 H new ATOM 0 HB2 PHE A 33 4.527 0.448 1.753 1.00 0.00 H new ATOM 0 HB3 PHE A 33 6.151 -0.212 1.749 1.00 0.00 H new ATOM 0 HD1 PHE A 33 3.075 -0.473 -0.358 1.00 0.00 H new ATOM 0 HD2 PHE A 33 7.281 -0.062 -0.246 1.00 0.00 H new ATOM 0 HE1 PHE A 33 3.128 -0.324 -2.854 1.00 0.00 H new ATOM 0 HE2 PHE A 33 7.333 0.080 -2.742 1.00 0.00 H new ATOM 0 HZ PHE A 33 5.256 -0.056 -4.015 1.00 0.00 H new ATOM 466 N VAL A 34 6.269 -2.366 3.505 1.00 0.00 N ATOM 467 CA VAL A 34 7.389 -3.142 4.013 1.00 0.00 C ATOM 468 C VAL A 34 7.109 -3.546 5.461 1.00 0.00 C ATOM 469 O VAL A 34 7.102 -4.732 5.788 1.00 0.00 O ATOM 470 CB VAL A 34 8.689 -2.351 3.852 1.00 0.00 C ATOM 471 CG1 VAL A 34 9.497 -2.357 5.151 1.00 0.00 C ATOM 472 CG2 VAL A 34 9.519 -2.889 2.686 1.00 0.00 C ATOM 0 H VAL A 34 5.911 -1.662 4.150 1.00 0.00 H new ATOM 0 HA VAL A 34 7.510 -4.060 3.438 1.00 0.00 H new ATOM 0 HB VAL A 34 8.427 -1.318 3.625 1.00 0.00 H new ATOM 0 HG11 VAL A 34 10.416 -1.788 5.010 1.00 0.00 H new ATOM 0 HG12 VAL A 34 8.908 -1.903 5.948 1.00 0.00 H new ATOM 0 HG13 VAL A 34 9.743 -3.384 5.421 1.00 0.00 H new ATOM 0 HG21 VAL A 34 10.437 -2.309 2.595 1.00 0.00 H new ATOM 0 HG22 VAL A 34 9.767 -3.935 2.868 1.00 0.00 H new ATOM 0 HG23 VAL A 34 8.945 -2.808 1.763 1.00 0.00 H new ATOM 482 N ASP A 35 6.886 -2.537 6.290 1.00 0.00 N ATOM 483 CA ASP A 35 6.606 -2.772 7.697 1.00 0.00 C ATOM 484 C ASP A 35 5.749 -4.032 7.838 1.00 0.00 C ATOM 485 O ASP A 35 5.896 -4.783 8.801 1.00 0.00 O ATOM 486 CB ASP A 35 5.833 -1.603 8.308 1.00 0.00 C ATOM 487 CG ASP A 35 5.982 -1.451 9.824 1.00 0.00 C ATOM 488 OD1 ASP A 35 7.037 -1.759 10.396 1.00 0.00 O ATOM 489 OD2 ASP A 35 4.941 -0.988 10.429 1.00 0.00 O ATOM 0 H ASP A 35 6.893 -1.555 6.015 1.00 0.00 H new ATOM 0 HA ASP A 35 7.558 -2.884 8.216 1.00 0.00 H new ATOM 0 HB2 ASP A 35 6.163 -0.680 7.831 1.00 0.00 H new ATOM 0 HB3 ASP A 35 4.776 -1.723 8.072 1.00 0.00 H new ATOM 494 N ASP A 36 4.870 -4.223 6.865 1.00 0.00 N ATOM 495 CA ASP A 36 3.989 -5.378 6.868 1.00 0.00 C ATOM 496 C ASP A 36 4.527 -6.429 5.895 1.00 0.00 C ATOM 497 O ASP A 36 4.964 -7.500 6.311 1.00 0.00 O ATOM 498 CB ASP A 36 2.577 -4.995 6.418 1.00 0.00 C ATOM 499 CG ASP A 36 1.487 -5.184 7.475 1.00 0.00 C ATOM 500 OD1 ASP A 36 1.042 -6.311 7.739 1.00 0.00 O ATOM 501 OD2 ASP A 36 1.088 -4.099 8.046 1.00 0.00 O ATOM 0 H ASP A 36 4.749 -3.597 6.069 1.00 0.00 H new ATOM 0 HA ASP A 36 3.950 -5.769 7.885 1.00 0.00 H new ATOM 0 HB2 ASP A 36 2.582 -3.951 6.106 1.00 0.00 H new ATOM 0 HB3 ASP A 36 2.318 -5.588 5.541 1.00 0.00 H new ATOM 506 N LEU A 37 4.477 -6.084 4.616 1.00 0.00 N ATOM 507 CA LEU A 37 4.955 -6.985 3.581 1.00 0.00 C ATOM 508 C LEU A 37 6.220 -7.692 4.068 1.00 0.00 C ATOM 509 O LEU A 37 6.313 -8.917 4.009 1.00 0.00 O ATOM 510 CB LEU A 37 5.141 -6.231 2.261 1.00 0.00 C ATOM 511 CG LEU A 37 3.859 -5.773 1.563 1.00 0.00 C ATOM 512 CD1 LEU A 37 4.172 -5.105 0.223 1.00 0.00 C ATOM 513 CD2 LEU A 37 2.874 -6.934 1.409 1.00 0.00 C ATOM 0 H LEU A 37 4.113 -5.195 4.274 1.00 0.00 H new ATOM 0 HA LEU A 37 4.216 -7.760 3.380 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.761 -5.355 2.451 1.00 0.00 H new ATOM 0 HB3 LEU A 37 5.696 -6.871 1.575 1.00 0.00 H new ATOM 0 HG LEU A 37 3.378 -5.023 2.191 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.243 -4.789 -0.252 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.808 -4.236 0.390 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.688 -5.813 -0.425 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.971 -6.582 0.910 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.333 -7.724 0.814 1.00 0.00 H new ATOM 0 HD23 LEU A 37 2.615 -7.325 2.393 1.00 0.00 H new ATOM 524 N ASP A 38 7.164 -6.889 4.540 1.00 0.00 N ATOM 525 CA ASP A 38 8.420 -7.423 5.039 1.00 0.00 C ATOM 526 C ASP A 38 9.188 -8.070 3.884 1.00 0.00 C ATOM 527 O ASP A 38 10.163 -8.786 4.106 1.00 0.00 O ATOM 528 CB ASP A 38 8.179 -8.494 6.105 1.00 0.00 C ATOM 529 CG ASP A 38 9.153 -8.464 7.284 1.00 0.00 C ATOM 530 OD1 ASP A 38 8.984 -7.683 8.232 1.00 0.00 O ATOM 531 OD2 ASP A 38 10.134 -9.298 7.202 1.00 0.00 O ATOM 0 H ASP A 38 7.084 -5.873 4.587 1.00 0.00 H new ATOM 0 HA ASP A 38 8.986 -6.601 5.476 1.00 0.00 H new ATOM 0 HB2 ASP A 38 7.165 -8.382 6.488 1.00 0.00 H new ATOM 0 HB3 ASP A 38 8.235 -9.475 5.632 1.00 0.00 H new ATOM 536 N ILE A 39 8.720 -7.794 2.676 1.00 0.00 N ATOM 537 CA ILE A 39 9.351 -8.340 1.486 1.00 0.00 C ATOM 538 C ILE A 39 10.420 -7.365 0.989 1.00 0.00 C ATOM 539 O ILE A 39 11.310 -7.748 0.231 1.00 0.00 O ATOM 540 CB ILE A 39 8.297 -8.686 0.432 1.00 0.00 C ATOM 541 CG1 ILE A 39 8.677 -9.961 -0.324 1.00 0.00 C ATOM 542 CG2 ILE A 39 8.058 -7.508 -0.514 1.00 0.00 C ATOM 543 CD1 ILE A 39 10.130 -9.903 -0.799 1.00 0.00 C ATOM 0 H ILE A 39 7.911 -7.199 2.495 1.00 0.00 H new ATOM 0 HA ILE A 39 9.856 -9.277 1.718 1.00 0.00 H new ATOM 0 HB ILE A 39 7.355 -8.883 0.943 1.00 0.00 H new ATOM 0 HG12 ILE A 39 8.536 -10.827 0.322 1.00 0.00 H new ATOM 0 HG13 ILE A 39 8.015 -10.091 -1.180 1.00 0.00 H new ATOM 0 HG21 ILE A 39 7.305 -7.782 -1.253 1.00 0.00 H new ATOM 0 HG22 ILE A 39 7.710 -6.647 0.057 1.00 0.00 H new ATOM 0 HG23 ILE A 39 8.989 -7.254 -1.022 1.00 0.00 H new ATOM 0 HD11 ILE A 39 10.375 -10.821 -1.333 1.00 0.00 H new ATOM 0 HD12 ILE A 39 10.262 -9.050 -1.464 1.00 0.00 H new ATOM 0 HD13 ILE A 39 10.790 -9.797 0.062 1.00 0.00 H new ATOM 554 N ASP A 40 10.297 -6.124 1.435 1.00 0.00 N ATOM 555 CA ASP A 40 11.242 -5.092 1.044 1.00 0.00 C ATOM 556 C ASP A 40 10.824 -4.508 -0.307 1.00 0.00 C ATOM 557 O ASP A 40 9.686 -4.687 -0.740 1.00 0.00 O ATOM 558 CB ASP A 40 12.653 -5.664 0.895 1.00 0.00 C ATOM 559 CG ASP A 40 13.785 -4.693 1.240 1.00 0.00 C ATOM 560 OD1 ASP A 40 14.495 -4.200 0.352 1.00 0.00 O ATOM 561 OD2 ASP A 40 13.925 -4.446 2.498 1.00 0.00 O ATOM 0 H ASP A 40 9.558 -5.810 2.063 1.00 0.00 H new ATOM 0 HA ASP A 40 11.243 -4.326 1.820 1.00 0.00 H new ATOM 0 HB2 ASP A 40 12.742 -6.543 1.533 1.00 0.00 H new ATOM 0 HB3 ASP A 40 12.785 -6.002 -0.133 1.00 0.00 H new ATOM 566 N SER A 41 11.767 -3.822 -0.936 1.00 0.00 N ATOM 567 CA SER A 41 11.510 -3.210 -2.229 1.00 0.00 C ATOM 568 C SER A 41 11.883 -4.182 -3.351 1.00 0.00 C ATOM 569 O SER A 41 11.843 -3.824 -4.527 1.00 0.00 O ATOM 570 CB SER A 41 12.285 -1.900 -2.382 1.00 0.00 C ATOM 571 OG SER A 41 13.668 -2.125 -2.642 1.00 0.00 O ATOM 0 H SER A 41 12.710 -3.676 -0.575 1.00 0.00 H new ATOM 0 HA SER A 41 10.446 -2.981 -2.294 1.00 0.00 H new ATOM 0 HB2 SER A 41 11.854 -1.316 -3.195 1.00 0.00 H new ATOM 0 HB3 SER A 41 12.179 -1.308 -1.473 1.00 0.00 H new ATOM 0 HG SER A 41 14.128 -1.264 -2.735 1.00 0.00 H new ATOM 576 N LEU A 42 12.238 -5.393 -2.947 1.00 0.00 N ATOM 577 CA LEU A 42 12.617 -6.419 -3.903 1.00 0.00 C ATOM 578 C LEU A 42 11.369 -6.919 -4.633 1.00 0.00 C ATOM 579 O LEU A 42 11.172 -6.621 -5.810 1.00 0.00 O ATOM 580 CB LEU A 42 13.411 -7.530 -3.211 1.00 0.00 C ATOM 581 CG LEU A 42 14.851 -7.724 -3.690 1.00 0.00 C ATOM 582 CD1 LEU A 42 15.809 -7.860 -2.504 1.00 0.00 C ATOM 583 CD2 LEU A 42 14.955 -8.910 -4.649 1.00 0.00 C ATOM 0 H LEU A 42 12.271 -5.686 -1.971 1.00 0.00 H new ATOM 0 HA LEU A 42 13.284 -6.005 -4.659 1.00 0.00 H new ATOM 0 HB2 LEU A 42 13.430 -7.323 -2.141 1.00 0.00 H new ATOM 0 HB3 LEU A 42 12.875 -8.470 -3.345 1.00 0.00 H new ATOM 0 HG LEU A 42 15.149 -6.835 -4.245 1.00 0.00 H new ATOM 0 HD11 LEU A 42 16.826 -7.997 -2.872 1.00 0.00 H new ATOM 0 HD12 LEU A 42 15.762 -6.958 -1.893 1.00 0.00 H new ATOM 0 HD13 LEU A 42 15.522 -8.722 -1.901 1.00 0.00 H new ATOM 0 HD21 LEU A 42 15.989 -9.025 -4.974 1.00 0.00 H new ATOM 0 HD22 LEU A 42 14.631 -9.818 -4.141 1.00 0.00 H new ATOM 0 HD23 LEU A 42 14.319 -8.733 -5.517 1.00 0.00 H new ATOM 594 N SER A 43 10.557 -7.668 -3.903 1.00 0.00 N ATOM 595 CA SER A 43 9.332 -8.212 -4.466 1.00 0.00 C ATOM 596 C SER A 43 8.386 -7.075 -4.856 1.00 0.00 C ATOM 597 O SER A 43 7.797 -7.096 -5.935 1.00 0.00 O ATOM 598 CB SER A 43 8.646 -9.159 -3.479 1.00 0.00 C ATOM 599 OG SER A 43 7.588 -9.892 -4.091 1.00 0.00 O ATOM 0 H SER A 43 10.723 -7.912 -2.926 1.00 0.00 H new ATOM 0 HA SER A 43 9.589 -8.784 -5.358 1.00 0.00 H new ATOM 0 HB2 SER A 43 9.381 -9.854 -3.073 1.00 0.00 H new ATOM 0 HB3 SER A 43 8.252 -8.585 -2.640 1.00 0.00 H new ATOM 0 HG SER A 43 7.776 -10.852 -4.029 1.00 0.00 H new ATOM 604 N MET A 44 8.270 -6.110 -3.956 1.00 0.00 N ATOM 605 CA MET A 44 7.405 -4.965 -4.192 1.00 0.00 C ATOM 606 C MET A 44 7.642 -4.379 -5.586 1.00 0.00 C ATOM 607 O MET A 44 6.697 -3.968 -6.258 1.00 0.00 O ATOM 608 CB MET A 44 7.674 -3.894 -3.134 1.00 0.00 C ATOM 609 CG MET A 44 6.784 -4.100 -1.907 1.00 0.00 C ATOM 610 SD MET A 44 5.531 -2.830 -1.841 1.00 0.00 S ATOM 611 CE MET A 44 4.226 -3.634 -2.756 1.00 0.00 C ATOM 0 H MET A 44 8.760 -6.097 -3.062 1.00 0.00 H new ATOM 0 HA MET A 44 6.369 -5.296 -4.129 1.00 0.00 H new ATOM 0 HB2 MET A 44 8.722 -3.926 -2.837 1.00 0.00 H new ATOM 0 HB3 MET A 44 7.493 -2.906 -3.557 1.00 0.00 H new ATOM 0 HG2 MET A 44 6.315 -5.083 -1.949 1.00 0.00 H new ATOM 0 HG3 MET A 44 7.389 -4.073 -1.000 1.00 0.00 H new ATOM 0 HE1 MET A 44 3.260 -3.341 -2.346 1.00 0.00 H new ATOM 0 HE2 MET A 44 4.280 -3.338 -3.804 1.00 0.00 H new ATOM 0 HE3 MET A 44 4.340 -4.715 -2.678 1.00 0.00 H new ATOM 619 N VAL A 45 8.907 -4.357 -5.976 1.00 0.00 N ATOM 620 CA VAL A 45 9.280 -3.827 -7.277 1.00 0.00 C ATOM 621 C VAL A 45 8.599 -4.650 -8.372 1.00 0.00 C ATOM 622 O VAL A 45 8.285 -4.127 -9.441 1.00 0.00 O ATOM 623 CB VAL A 45 10.804 -3.797 -7.412 1.00 0.00 C ATOM 624 CG1 VAL A 45 11.225 -3.875 -8.881 1.00 0.00 C ATOM 625 CG2 VAL A 45 11.389 -2.554 -6.739 1.00 0.00 C ATOM 0 H VAL A 45 9.687 -4.698 -5.414 1.00 0.00 H new ATOM 0 HA VAL A 45 8.937 -2.798 -7.383 1.00 0.00 H new ATOM 0 HB VAL A 45 11.204 -4.673 -6.902 1.00 0.00 H new ATOM 0 HG11 VAL A 45 12.313 -3.852 -8.950 1.00 0.00 H new ATOM 0 HG12 VAL A 45 10.854 -4.802 -9.317 1.00 0.00 H new ATOM 0 HG13 VAL A 45 10.809 -3.026 -9.424 1.00 0.00 H new ATOM 0 HG21 VAL A 45 12.473 -2.557 -6.849 1.00 0.00 H new ATOM 0 HG22 VAL A 45 10.979 -1.659 -7.208 1.00 0.00 H new ATOM 0 HG23 VAL A 45 11.132 -2.559 -5.680 1.00 0.00 H new ATOM 635 N GLU A 46 8.391 -5.923 -8.069 1.00 0.00 N ATOM 636 CA GLU A 46 7.752 -6.823 -9.014 1.00 0.00 C ATOM 637 C GLU A 46 6.242 -6.578 -9.045 1.00 0.00 C ATOM 638 O GLU A 46 5.660 -6.395 -10.112 1.00 0.00 O ATOM 639 CB GLU A 46 8.065 -8.282 -8.679 1.00 0.00 C ATOM 640 CG GLU A 46 8.778 -8.972 -9.843 1.00 0.00 C ATOM 641 CD GLU A 46 10.292 -8.992 -9.625 1.00 0.00 C ATOM 642 OE1 GLU A 46 10.752 -9.216 -8.494 1.00 0.00 O ATOM 643 OE2 GLU A 46 10.999 -8.768 -10.679 1.00 0.00 O ATOM 0 H GLU A 46 8.654 -6.353 -7.182 1.00 0.00 H new ATOM 0 HA GLU A 46 8.152 -6.619 -10.007 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.690 -8.328 -7.787 1.00 0.00 H new ATOM 0 HB3 GLU A 46 7.141 -8.812 -8.449 1.00 0.00 H new ATOM 0 HG2 GLU A 46 8.409 -9.992 -9.947 1.00 0.00 H new ATOM 0 HG3 GLU A 46 8.548 -8.453 -10.774 1.00 0.00 H new ATOM 649 N ILE A 47 5.651 -6.582 -7.859 1.00 0.00 N ATOM 650 CA ILE A 47 4.220 -6.363 -7.735 1.00 0.00 C ATOM 651 C ILE A 47 3.852 -5.039 -8.406 1.00 0.00 C ATOM 652 O ILE A 47 2.710 -4.845 -8.820 1.00 0.00 O ATOM 653 CB ILE A 47 3.789 -6.451 -6.269 1.00 0.00 C ATOM 654 CG1 ILE A 47 3.842 -7.896 -5.769 1.00 0.00 C ATOM 655 CG2 ILE A 47 2.409 -5.822 -6.066 1.00 0.00 C ATOM 656 CD1 ILE A 47 4.729 -8.015 -4.528 1.00 0.00 C ATOM 0 H ILE A 47 6.137 -6.733 -6.975 1.00 0.00 H new ATOM 0 HA ILE A 47 3.668 -7.148 -8.252 1.00 0.00 H new ATOM 0 HB ILE A 47 4.495 -5.877 -5.668 1.00 0.00 H new ATOM 0 HG12 ILE A 47 2.835 -8.241 -5.535 1.00 0.00 H new ATOM 0 HG13 ILE A 47 4.225 -8.544 -6.558 1.00 0.00 H new ATOM 0 HG21 ILE A 47 2.126 -5.897 -5.016 1.00 0.00 H new ATOM 0 HG22 ILE A 47 2.441 -4.773 -6.359 1.00 0.00 H new ATOM 0 HG23 ILE A 47 1.676 -6.347 -6.678 1.00 0.00 H new ATOM 0 HD11 ILE A 47 4.749 -9.052 -4.193 1.00 0.00 H new ATOM 0 HD12 ILE A 47 5.741 -7.693 -4.772 1.00 0.00 H new ATOM 0 HD13 ILE A 47 4.329 -7.385 -3.733 1.00 0.00 H new ATOM 667 N ALA A 48 4.841 -4.160 -8.492 1.00 0.00 N ATOM 668 CA ALA A 48 4.634 -2.859 -9.106 1.00 0.00 C ATOM 669 C ALA A 48 4.877 -2.966 -10.612 1.00 0.00 C ATOM 670 O ALA A 48 4.099 -2.442 -11.409 1.00 0.00 O ATOM 671 CB ALA A 48 5.550 -1.830 -8.439 1.00 0.00 C ATOM 0 H ALA A 48 5.787 -4.323 -8.147 1.00 0.00 H new ATOM 0 HA ALA A 48 3.607 -2.525 -8.961 1.00 0.00 H new ATOM 0 HB1 ALA A 48 5.396 -0.854 -8.899 1.00 0.00 H new ATOM 0 HB2 ALA A 48 5.318 -1.771 -7.376 1.00 0.00 H new ATOM 0 HB3 ALA A 48 6.590 -2.131 -8.567 1.00 0.00 H new ATOM 677 N VAL A 49 5.959 -3.650 -10.958 1.00 0.00 N ATOM 678 CA VAL A 49 6.313 -3.833 -12.356 1.00 0.00 C ATOM 679 C VAL A 49 5.086 -4.319 -13.129 1.00 0.00 C ATOM 680 O VAL A 49 4.977 -4.093 -14.333 1.00 0.00 O ATOM 681 CB VAL A 49 7.508 -4.780 -12.472 1.00 0.00 C ATOM 682 CG1 VAL A 49 7.045 -6.217 -12.722 1.00 0.00 C ATOM 683 CG2 VAL A 49 8.471 -4.316 -13.567 1.00 0.00 C ATOM 0 H VAL A 49 6.601 -4.084 -10.295 1.00 0.00 H new ATOM 0 HA VAL A 49 6.621 -2.886 -12.800 1.00 0.00 H new ATOM 0 HB VAL A 49 8.045 -4.761 -11.524 1.00 0.00 H new ATOM 0 HG11 VAL A 49 7.914 -6.871 -12.801 1.00 0.00 H new ATOM 0 HG12 VAL A 49 6.417 -6.546 -11.894 1.00 0.00 H new ATOM 0 HG13 VAL A 49 6.474 -6.259 -13.650 1.00 0.00 H new ATOM 0 HG21 VAL A 49 9.312 -5.007 -13.629 1.00 0.00 H new ATOM 0 HG22 VAL A 49 7.950 -4.293 -14.524 1.00 0.00 H new ATOM 0 HG23 VAL A 49 8.838 -3.318 -13.329 1.00 0.00 H new ATOM 693 N GLN A 50 4.193 -4.978 -12.405 1.00 0.00 N ATOM 694 CA GLN A 50 2.977 -5.498 -13.009 1.00 0.00 C ATOM 695 C GLN A 50 1.863 -4.452 -12.944 1.00 0.00 C ATOM 696 O GLN A 50 1.347 -4.025 -13.976 1.00 0.00 O ATOM 697 CB GLN A 50 2.545 -6.802 -12.335 1.00 0.00 C ATOM 698 CG GLN A 50 3.660 -7.847 -12.398 1.00 0.00 C ATOM 699 CD GLN A 50 3.159 -9.213 -11.921 1.00 0.00 C ATOM 700 OE1 GLN A 50 2.307 -9.837 -12.531 1.00 0.00 O ATOM 701 NE2 GLN A 50 3.734 -9.639 -10.801 1.00 0.00 N ATOM 0 H GLN A 50 4.287 -5.164 -11.406 1.00 0.00 H new ATOM 0 HA GLN A 50 3.180 -5.719 -14.057 1.00 0.00 H new ATOM 0 HB2 GLN A 50 2.282 -6.608 -11.295 1.00 0.00 H new ATOM 0 HB3 GLN A 50 1.651 -7.189 -12.823 1.00 0.00 H new ATOM 0 HG2 GLN A 50 4.030 -7.928 -13.420 1.00 0.00 H new ATOM 0 HG3 GLN A 50 4.499 -7.527 -11.780 1.00 0.00 H new ATOM 0 HE21 GLN A 50 4.441 -9.066 -10.341 1.00 0.00 H new ATOM 0 HE22 GLN A 50 3.468 -10.539 -10.402 1.00 0.00 H new ATOM 708 N THR A 51 1.525 -4.068 -11.722 1.00 0.00 N ATOM 709 CA THR A 51 0.480 -3.080 -11.510 1.00 0.00 C ATOM 710 C THR A 51 0.752 -1.830 -12.347 1.00 0.00 C ATOM 711 O THR A 51 -0.177 -1.211 -12.866 1.00 0.00 O ATOM 712 CB THR A 51 0.394 -2.799 -10.009 1.00 0.00 C ATOM 713 OG1 THR A 51 -0.496 -3.798 -9.519 1.00 0.00 O ATOM 714 CG2 THR A 51 -0.319 -1.481 -9.700 1.00 0.00 C ATOM 0 H THR A 51 1.956 -4.423 -10.868 1.00 0.00 H new ATOM 0 HA THR A 51 -0.490 -3.451 -11.842 1.00 0.00 H new ATOM 0 HB THR A 51 1.398 -2.776 -9.586 1.00 0.00 H new ATOM 0 HG1 THR A 51 -0.169 -4.133 -8.658 1.00 0.00 H new ATOM 0 HG21 THR A 51 -0.353 -1.330 -8.621 1.00 0.00 H new ATOM 0 HG22 THR A 51 0.222 -0.657 -10.165 1.00 0.00 H new ATOM 0 HG23 THR A 51 -1.335 -1.516 -10.093 1.00 0.00 H new ATOM 722 N GLU A 52 2.029 -1.493 -12.455 1.00 0.00 N ATOM 723 CA GLU A 52 2.434 -0.327 -13.221 1.00 0.00 C ATOM 724 C GLU A 52 2.377 -0.631 -14.720 1.00 0.00 C ATOM 725 O GLU A 52 2.654 0.239 -15.544 1.00 0.00 O ATOM 726 CB GLU A 52 3.832 0.140 -12.810 1.00 0.00 C ATOM 727 CG GLU A 52 3.785 0.918 -11.494 1.00 0.00 C ATOM 728 CD GLU A 52 5.077 0.724 -10.697 1.00 0.00 C ATOM 729 OE1 GLU A 52 5.683 -0.356 -10.752 1.00 0.00 O ATOM 730 OE2 GLU A 52 5.446 1.746 -10.001 1.00 0.00 O ATOM 0 H GLU A 52 2.797 -2.008 -12.024 1.00 0.00 H new ATOM 0 HA GLU A 52 1.738 0.484 -13.007 1.00 0.00 H new ATOM 0 HB2 GLU A 52 4.491 -0.722 -12.704 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.254 0.769 -13.594 1.00 0.00 H new ATOM 0 HG2 GLU A 52 3.635 1.978 -11.699 1.00 0.00 H new ATOM 0 HG3 GLU A 52 2.934 0.585 -10.900 1.00 0.00 H new ATOM 736 N ASP A 53 2.014 -1.868 -15.028 1.00 0.00 N ATOM 737 CA ASP A 53 1.915 -2.297 -16.412 1.00 0.00 C ATOM 738 C ASP A 53 0.468 -2.686 -16.720 1.00 0.00 C ATOM 739 O ASP A 53 -0.162 -2.103 -17.602 1.00 0.00 O ATOM 740 CB ASP A 53 2.800 -3.516 -16.675 1.00 0.00 C ATOM 741 CG ASP A 53 3.743 -3.385 -17.873 1.00 0.00 C ATOM 742 OD1 ASP A 53 3.962 -2.283 -18.395 1.00 0.00 O ATOM 743 OD2 ASP A 53 4.271 -4.492 -18.273 1.00 0.00 O ATOM 0 H ASP A 53 1.785 -2.587 -14.342 1.00 0.00 H new ATOM 0 HA ASP A 53 2.241 -1.472 -17.045 1.00 0.00 H new ATOM 0 HB2 ASP A 53 3.395 -3.713 -15.783 1.00 0.00 H new ATOM 0 HB3 ASP A 53 2.160 -4.384 -16.829 1.00 0.00 H new ATOM 748 N LYS A 54 -0.017 -3.669 -15.976 1.00 0.00 N ATOM 749 CA LYS A 54 -1.378 -4.144 -16.158 1.00 0.00 C ATOM 750 C LYS A 54 -2.307 -2.947 -16.373 1.00 0.00 C ATOM 751 O LYS A 54 -3.207 -2.997 -17.209 1.00 0.00 O ATOM 752 CB LYS A 54 -1.793 -5.042 -14.991 1.00 0.00 C ATOM 753 CG LYS A 54 -1.541 -6.515 -15.317 1.00 0.00 C ATOM 754 CD LYS A 54 -1.501 -7.360 -14.042 1.00 0.00 C ATOM 755 CE LYS A 54 -2.913 -7.732 -13.585 1.00 0.00 C ATOM 756 NZ LYS A 54 -3.417 -8.894 -14.352 1.00 0.00 N ATOM 0 H LYS A 54 0.508 -4.150 -15.246 1.00 0.00 H new ATOM 0 HA LYS A 54 -1.448 -4.767 -17.050 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.236 -4.763 -14.097 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -2.849 -4.891 -14.768 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -2.325 -6.884 -15.978 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -0.598 -6.616 -15.854 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -0.922 -8.266 -14.220 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -0.993 -6.808 -13.251 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -2.907 -7.966 -12.520 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -3.581 -6.882 -13.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -4.376 -9.133 -14.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -3.441 -8.658 -15.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -2.788 -9.708 -14.202 1.00 0.00 H new ATOM 765 N TYR A 55 -2.056 -1.898 -15.604 1.00 0.00 N ATOM 766 CA TYR A 55 -2.857 -0.690 -15.699 1.00 0.00 C ATOM 767 C TYR A 55 -2.049 0.458 -16.307 1.00 0.00 C ATOM 768 O TYR A 55 -2.475 1.073 -17.283 1.00 0.00 O ATOM 769 CB TYR A 55 -3.241 -0.324 -14.264 1.00 0.00 C ATOM 770 CG TYR A 55 -4.017 0.989 -14.143 1.00 0.00 C ATOM 771 CD1 TYR A 55 -3.340 2.191 -14.115 1.00 0.00 C ATOM 772 CD2 TYR A 55 -5.395 0.971 -14.062 1.00 0.00 C ATOM 773 CE1 TYR A 55 -4.071 3.427 -14.001 1.00 0.00 C ATOM 774 CE2 TYR A 55 -6.126 2.207 -13.948 1.00 0.00 C ATOM 775 CZ TYR A 55 -5.427 3.374 -13.923 1.00 0.00 C ATOM 776 OH TYR A 55 -6.118 4.541 -13.816 1.00 0.00 O ATOM 0 H TYR A 55 -1.308 -1.860 -14.911 1.00 0.00 H new ATOM 0 HA TYR A 55 -3.727 -0.856 -16.335 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -3.842 -1.130 -13.843 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -2.335 -0.255 -13.663 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -2.262 2.205 -14.179 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -5.925 0.030 -14.084 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -3.553 4.375 -13.978 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -7.204 2.207 -13.884 1.00 0.00 H new ATOM 0 HH TYR A 55 -5.529 5.239 -13.461 1.00 0.00 H new ATOM 785 N GLY A 56 -0.898 0.713 -15.704 1.00 0.00 N ATOM 786 CA GLY A 56 -0.025 1.776 -16.174 1.00 0.00 C ATOM 787 C GLY A 56 0.048 2.915 -15.155 1.00 0.00 C ATOM 788 O GLY A 56 0.078 4.086 -15.529 1.00 0.00 O ATOM 0 H GLY A 56 -0.549 0.202 -14.893 1.00 0.00 H new ATOM 0 HA2 GLY A 56 0.974 1.379 -16.353 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -0.392 2.158 -17.127 1.00 0.00 H new ATOM 792 N VAL A 57 0.076 2.531 -13.887 1.00 0.00 N ATOM 793 CA VAL A 57 0.145 3.505 -12.811 1.00 0.00 C ATOM 794 C VAL A 57 1.571 4.054 -12.717 1.00 0.00 C ATOM 795 O VAL A 57 2.532 3.351 -13.027 1.00 0.00 O ATOM 796 CB VAL A 57 -0.340 2.877 -11.503 1.00 0.00 C ATOM 797 CG1 VAL A 57 -1.745 2.293 -11.665 1.00 0.00 C ATOM 798 CG2 VAL A 57 0.642 1.814 -11.009 1.00 0.00 C ATOM 0 H VAL A 57 0.052 1.558 -13.581 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.516 4.347 -13.016 1.00 0.00 H new ATOM 0 HB VAL A 57 -0.388 3.664 -10.750 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.067 1.853 -10.721 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.437 3.085 -11.951 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.733 1.525 -12.438 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.274 1.383 -10.078 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.737 1.029 -11.759 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.617 2.271 -10.837 1.00 0.00 H new ATOM 808 N LYS A 58 1.662 5.305 -12.291 1.00 0.00 N ATOM 809 CA LYS A 58 2.953 5.956 -12.153 1.00 0.00 C ATOM 810 C LYS A 58 3.327 6.031 -10.671 1.00 0.00 C ATOM 811 O LYS A 58 2.691 6.751 -9.903 1.00 0.00 O ATOM 812 CB LYS A 58 2.946 7.316 -12.855 1.00 0.00 C ATOM 813 CG LYS A 58 1.857 8.223 -12.278 1.00 0.00 C ATOM 814 CD LYS A 58 0.750 8.472 -13.306 1.00 0.00 C ATOM 815 CE LYS A 58 -0.632 8.372 -12.658 1.00 0.00 C ATOM 816 NZ LYS A 58 -1.692 8.417 -13.689 1.00 0.00 N ATOM 0 H LYS A 58 0.862 5.885 -12.037 1.00 0.00 H new ATOM 0 HA LYS A 58 3.728 5.371 -12.648 1.00 0.00 H new ATOM 0 HB2 LYS A 58 3.920 7.793 -12.742 1.00 0.00 H new ATOM 0 HB3 LYS A 58 2.781 7.177 -13.923 1.00 0.00 H new ATOM 0 HG2 LYS A 58 1.433 7.765 -11.385 1.00 0.00 H new ATOM 0 HG3 LYS A 58 2.294 9.173 -11.972 1.00 0.00 H new ATOM 0 HD2 LYS A 58 0.877 9.459 -13.750 1.00 0.00 H new ATOM 0 HD3 LYS A 58 0.830 7.746 -14.115 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -0.708 7.445 -12.090 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -0.769 9.190 -11.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -2.551 7.958 -13.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -1.903 9.407 -13.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -1.368 7.918 -14.542 1.00 0.00 H new ATOM 825 N ILE A 59 4.356 5.277 -10.314 1.00 0.00 N ATOM 826 CA ILE A 59 4.820 5.248 -8.937 1.00 0.00 C ATOM 827 C ILE A 59 6.342 5.094 -8.922 1.00 0.00 C ATOM 828 O ILE A 59 6.861 4.062 -8.497 1.00 0.00 O ATOM 829 CB ILE A 59 4.084 4.166 -8.145 1.00 0.00 C ATOM 830 CG1 ILE A 59 2.625 4.561 -7.902 1.00 0.00 C ATOM 831 CG2 ILE A 59 4.817 3.848 -6.840 1.00 0.00 C ATOM 832 CD1 ILE A 59 1.872 3.451 -7.167 1.00 0.00 C ATOM 0 H ILE A 59 4.882 4.682 -10.954 1.00 0.00 H new ATOM 0 HA ILE A 59 4.588 6.188 -8.436 1.00 0.00 H new ATOM 0 HB ILE A 59 4.075 3.253 -8.740 1.00 0.00 H new ATOM 0 HG12 ILE A 59 2.586 5.480 -7.318 1.00 0.00 H new ATOM 0 HG13 ILE A 59 2.137 4.767 -8.854 1.00 0.00 H new ATOM 0 HG21 ILE A 59 4.273 3.076 -6.296 1.00 0.00 H new ATOM 0 HG22 ILE A 59 5.823 3.493 -7.065 1.00 0.00 H new ATOM 0 HG23 ILE A 59 4.878 4.748 -6.228 1.00 0.00 H new ATOM 0 HD11 ILE A 59 0.838 3.757 -7.007 1.00 0.00 H new ATOM 0 HD12 ILE A 59 1.892 2.540 -7.765 1.00 0.00 H new ATOM 0 HD13 ILE A 59 2.348 3.264 -6.205 1.00 0.00 H new ATOM 843 N PRO A 60 7.034 6.162 -9.400 1.00 0.00 N ATOM 844 CA PRO A 60 8.486 6.156 -9.445 1.00 0.00 C ATOM 845 C PRO A 60 9.078 6.355 -8.048 1.00 0.00 C ATOM 846 O PRO A 60 8.353 6.649 -7.098 1.00 0.00 O ATOM 847 CB PRO A 60 8.855 7.270 -10.411 1.00 0.00 C ATOM 848 CG PRO A 60 7.626 8.158 -10.513 1.00 0.00 C ATOM 849 CD PRO A 60 6.453 7.401 -9.910 1.00 0.00 C ATOM 0 HA PRO A 60 8.892 5.203 -9.784 1.00 0.00 H new ATOM 0 HB2 PRO A 60 9.715 7.833 -10.048 1.00 0.00 H new ATOM 0 HB3 PRO A 60 9.127 6.867 -11.386 1.00 0.00 H new ATOM 0 HG2 PRO A 60 7.788 9.096 -9.983 1.00 0.00 H new ATOM 0 HG3 PRO A 60 7.423 8.411 -11.554 1.00 0.00 H new ATOM 0 HD2 PRO A 60 5.980 7.974 -9.113 1.00 0.00 H new ATOM 0 HD3 PRO A 60 5.685 7.200 -10.657 1.00 0.00 H new ATOM 854 N ASP A 61 10.389 6.187 -7.967 1.00 0.00 N ATOM 855 CA ASP A 61 11.088 6.344 -6.702 1.00 0.00 C ATOM 856 C ASP A 61 10.721 7.697 -6.087 1.00 0.00 C ATOM 857 O ASP A 61 10.513 7.797 -4.878 1.00 0.00 O ATOM 858 CB ASP A 61 12.604 6.311 -6.901 1.00 0.00 C ATOM 859 CG ASP A 61 13.288 5.019 -6.452 1.00 0.00 C ATOM 860 OD1 ASP A 61 13.764 4.911 -5.312 1.00 0.00 O ATOM 861 OD2 ASP A 61 13.322 4.084 -7.340 1.00 0.00 O ATOM 0 H ASP A 61 10.987 5.944 -8.757 1.00 0.00 H new ATOM 0 HA ASP A 61 10.793 5.522 -6.050 1.00 0.00 H new ATOM 0 HB2 ASP A 61 12.820 6.470 -7.957 1.00 0.00 H new ATOM 0 HB3 ASP A 61 13.045 7.146 -6.356 1.00 0.00 H new ATOM 866 N GLU A 62 10.652 8.703 -6.947 1.00 0.00 N ATOM 867 CA GLU A 62 10.314 10.044 -6.503 1.00 0.00 C ATOM 868 C GLU A 62 9.051 10.015 -5.640 1.00 0.00 C ATOM 869 O GLU A 62 8.814 10.927 -4.850 1.00 0.00 O ATOM 870 CB GLU A 62 10.143 10.989 -7.695 1.00 0.00 C ATOM 871 CG GLU A 62 10.043 12.443 -7.231 1.00 0.00 C ATOM 872 CD GLU A 62 10.926 13.353 -8.088 1.00 0.00 C ATOM 873 OE1 GLU A 62 10.429 14.327 -8.673 1.00 0.00 O ATOM 874 OE2 GLU A 62 12.171 13.020 -8.134 1.00 0.00 O ATOM 0 H GLU A 62 10.824 8.616 -7.949 1.00 0.00 H new ATOM 0 HA GLU A 62 11.136 10.423 -5.896 1.00 0.00 H new ATOM 0 HB2 GLU A 62 10.987 10.878 -8.376 1.00 0.00 H new ATOM 0 HB3 GLU A 62 9.246 10.719 -8.252 1.00 0.00 H new ATOM 0 HG2 GLU A 62 9.007 12.777 -7.288 1.00 0.00 H new ATOM 0 HG3 GLU A 62 10.344 12.517 -6.186 1.00 0.00 H new ATOM 880 N ASP A 63 8.272 8.958 -5.822 1.00 0.00 N ATOM 881 CA ASP A 63 7.039 8.798 -5.070 1.00 0.00 C ATOM 882 C ASP A 63 7.159 7.579 -4.155 1.00 0.00 C ATOM 883 O ASP A 63 6.649 7.585 -3.035 1.00 0.00 O ATOM 884 CB ASP A 63 5.849 8.574 -6.005 1.00 0.00 C ATOM 885 CG ASP A 63 4.836 9.719 -6.049 1.00 0.00 C ATOM 886 OD1 ASP A 63 3.767 9.603 -6.667 1.00 0.00 O ATOM 887 OD2 ASP A 63 5.185 10.781 -5.404 1.00 0.00 O ATOM 0 H ASP A 63 8.471 8.204 -6.480 1.00 0.00 H new ATOM 0 HA ASP A 63 6.876 9.707 -4.492 1.00 0.00 H new ATOM 0 HB2 ASP A 63 6.226 8.404 -7.013 1.00 0.00 H new ATOM 0 HB3 ASP A 63 5.333 7.664 -5.700 1.00 0.00 H new ATOM 892 N LEU A 64 7.836 6.561 -4.666 1.00 0.00 N ATOM 893 CA LEU A 64 8.030 5.336 -3.908 1.00 0.00 C ATOM 894 C LEU A 64 8.769 5.656 -2.607 1.00 0.00 C ATOM 895 O LEU A 64 8.776 4.850 -1.679 1.00 0.00 O ATOM 896 CB LEU A 64 8.727 4.278 -4.767 1.00 0.00 C ATOM 897 CG LEU A 64 8.409 2.821 -4.428 1.00 0.00 C ATOM 898 CD1 LEU A 64 8.948 2.450 -3.044 1.00 0.00 C ATOM 899 CD2 LEU A 64 6.910 2.544 -4.552 1.00 0.00 C ATOM 0 H LEU A 64 8.257 6.559 -5.595 1.00 0.00 H new ATOM 0 HA LEU A 64 7.068 4.905 -3.630 1.00 0.00 H new ATOM 0 HB2 LEU A 64 8.462 4.453 -5.810 1.00 0.00 H new ATOM 0 HB3 LEU A 64 9.804 4.423 -4.683 1.00 0.00 H new ATOM 0 HG LEU A 64 8.915 2.183 -5.153 1.00 0.00 H new ATOM 0 HD11 LEU A 64 8.709 1.409 -2.827 1.00 0.00 H new ATOM 0 HD12 LEU A 64 10.029 2.585 -3.027 1.00 0.00 H new ATOM 0 HD13 LEU A 64 8.490 3.092 -2.291 1.00 0.00 H new ATOM 0 HD21 LEU A 64 6.711 1.501 -4.306 1.00 0.00 H new ATOM 0 HD22 LEU A 64 6.363 3.190 -3.865 1.00 0.00 H new ATOM 0 HD23 LEU A 64 6.586 2.743 -5.574 1.00 0.00 H new ATOM 910 N ALA A 65 9.371 6.836 -2.582 1.00 0.00 N ATOM 911 CA ALA A 65 10.111 7.274 -1.411 1.00 0.00 C ATOM 912 C ALA A 65 9.127 7.752 -0.340 1.00 0.00 C ATOM 913 O ALA A 65 9.317 7.486 0.845 1.00 0.00 O ATOM 914 CB ALA A 65 11.108 8.362 -1.813 1.00 0.00 C ATOM 0 H ALA A 65 9.361 7.502 -3.354 1.00 0.00 H new ATOM 0 HA ALA A 65 10.683 6.448 -0.989 1.00 0.00 H new ATOM 0 HB1 ALA A 65 11.663 8.690 -0.934 1.00 0.00 H new ATOM 0 HB2 ALA A 65 11.803 7.964 -2.553 1.00 0.00 H new ATOM 0 HB3 ALA A 65 10.570 9.209 -2.239 1.00 0.00 H new ATOM 920 N GLY A 66 8.097 8.448 -0.798 1.00 0.00 N ATOM 921 CA GLY A 66 7.084 8.966 0.105 1.00 0.00 C ATOM 922 C GLY A 66 6.086 7.873 0.493 1.00 0.00 C ATOM 923 O GLY A 66 5.712 7.754 1.659 1.00 0.00 O ATOM 0 H GLY A 66 7.942 8.665 -1.783 1.00 0.00 H new ATOM 0 HA2 GLY A 66 7.560 9.364 1.001 1.00 0.00 H new ATOM 0 HA3 GLY A 66 6.557 9.793 -0.370 1.00 0.00 H new ATOM 927 N LEU A 67 5.682 7.103 -0.506 1.00 0.00 N ATOM 928 CA LEU A 67 4.735 6.024 -0.285 1.00 0.00 C ATOM 929 C LEU A 67 5.135 5.250 0.973 1.00 0.00 C ATOM 930 O LEU A 67 6.218 4.672 1.032 1.00 0.00 O ATOM 931 CB LEU A 67 4.617 5.149 -1.534 1.00 0.00 C ATOM 932 CG LEU A 67 4.002 5.816 -2.766 1.00 0.00 C ATOM 933 CD1 LEU A 67 3.679 4.782 -3.847 1.00 0.00 C ATOM 934 CD2 LEU A 67 2.776 6.648 -2.384 1.00 0.00 C ATOM 0 H LEU A 67 5.994 7.205 -1.472 1.00 0.00 H new ATOM 0 HA LEU A 67 3.736 6.424 -0.110 1.00 0.00 H new ATOM 0 HB2 LEU A 67 5.612 4.792 -1.798 1.00 0.00 H new ATOM 0 HB3 LEU A 67 4.019 4.272 -1.284 1.00 0.00 H new ATOM 0 HG LEU A 67 4.738 6.501 -3.186 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.243 5.283 -4.711 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.594 4.271 -4.147 1.00 0.00 H new ATOM 0 HD13 LEU A 67 2.969 4.054 -3.454 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.358 7.111 -3.278 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.027 6.003 -1.925 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.069 7.424 -1.676 1.00 0.00 H new ATOM 945 N ARG A 68 4.238 5.265 1.948 1.00 0.00 N ATOM 946 CA ARG A 68 4.483 4.573 3.201 1.00 0.00 C ATOM 947 C ARG A 68 3.545 3.371 3.337 1.00 0.00 C ATOM 948 O ARG A 68 3.950 2.315 3.820 1.00 0.00 O ATOM 949 CB ARG A 68 4.281 5.507 4.396 1.00 0.00 C ATOM 950 CG ARG A 68 5.603 5.768 5.120 1.00 0.00 C ATOM 951 CD ARG A 68 5.472 5.496 6.619 1.00 0.00 C ATOM 952 NE ARG A 68 6.453 6.310 7.369 1.00 0.00 N ATOM 953 CZ ARG A 68 6.219 7.567 7.803 1.00 0.00 C ATOM 954 NH1 ARG A 68 5.032 8.165 7.565 1.00 0.00 N ATOM 955 NH2 ARG A 68 7.167 8.203 8.465 1.00 0.00 N ATOM 0 H ARG A 68 3.340 5.746 1.895 1.00 0.00 H new ATOM 0 HA ARG A 68 5.518 4.231 3.193 1.00 0.00 H new ATOM 0 HB2 ARG A 68 3.856 6.451 4.056 1.00 0.00 H new ATOM 0 HB3 ARG A 68 3.564 5.066 5.089 1.00 0.00 H new ATOM 0 HG2 ARG A 68 6.383 5.134 4.699 1.00 0.00 H new ATOM 0 HG3 ARG A 68 5.911 6.801 4.960 1.00 0.00 H new ATOM 0 HD2 ARG A 68 4.461 5.731 6.953 1.00 0.00 H new ATOM 0 HD3 ARG A 68 5.636 4.437 6.820 1.00 0.00 H new ATOM 0 HE ARG A 68 7.363 5.896 7.571 1.00 0.00 H new ATOM 0 HH11 ARG A 68 4.303 7.667 7.054 1.00 0.00 H new ATOM 0 HH12 ARG A 68 4.864 9.115 7.897 1.00 0.00 H new ATOM 0 HH21 ARG A 68 8.061 7.745 8.642 1.00 0.00 H new ATOM 0 HH22 ARG A 68 7.006 9.153 8.800 1.00 0.00 H new ATOM 964 N THR A 69 2.311 3.574 2.901 1.00 0.00 N ATOM 965 CA THR A 69 1.313 2.520 2.967 1.00 0.00 C ATOM 966 C THR A 69 0.521 2.452 1.659 1.00 0.00 C ATOM 967 O THR A 69 0.738 3.258 0.756 1.00 0.00 O ATOM 968 CB THR A 69 0.436 2.776 4.194 1.00 0.00 C ATOM 969 OG1 THR A 69 0.087 4.154 4.091 1.00 0.00 O ATOM 970 CG2 THR A 69 1.222 2.687 5.504 1.00 0.00 C ATOM 0 H THR A 69 1.979 4.452 2.501 1.00 0.00 H new ATOM 0 HA THR A 69 1.779 1.541 3.080 1.00 0.00 H new ATOM 0 HB THR A 69 -0.382 2.056 4.212 1.00 0.00 H new ATOM 0 HG1 THR A 69 -0.484 4.404 4.847 1.00 0.00 H new ATOM 0 HG21 THR A 69 0.553 2.877 6.343 1.00 0.00 H new ATOM 0 HG22 THR A 69 1.654 1.691 5.602 1.00 0.00 H new ATOM 0 HG23 THR A 69 2.020 3.430 5.501 1.00 0.00 H new ATOM 978 N VAL A 70 -0.380 1.483 1.599 1.00 0.00 N ATOM 979 CA VAL A 70 -1.205 1.298 0.417 1.00 0.00 C ATOM 980 C VAL A 70 -1.972 2.591 0.130 1.00 0.00 C ATOM 981 O VAL A 70 -1.875 3.143 -0.966 1.00 0.00 O ATOM 982 CB VAL A 70 -2.122 0.088 0.602 1.00 0.00 C ATOM 983 CG1 VAL A 70 -2.711 -0.363 -0.736 1.00 0.00 C ATOM 984 CG2 VAL A 70 -1.382 -1.061 1.290 1.00 0.00 C ATOM 0 H VAL A 70 -0.557 0.817 2.351 1.00 0.00 H new ATOM 0 HA VAL A 70 -0.584 1.087 -0.453 1.00 0.00 H new ATOM 0 HB VAL A 70 -2.947 0.389 1.247 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -3.359 -1.225 -0.576 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.290 0.451 -1.171 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.904 -0.637 -1.415 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -2.057 -1.909 1.409 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -0.528 -1.360 0.682 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -1.033 -0.734 2.270 1.00 0.00 H new ATOM 994 N GLY A 71 -2.715 3.035 1.132 1.00 0.00 N ATOM 995 CA GLY A 71 -3.498 4.253 1.000 1.00 0.00 C ATOM 996 C GLY A 71 -2.684 5.358 0.327 1.00 0.00 C ATOM 997 O GLY A 71 -3.242 6.225 -0.343 1.00 0.00 O ATOM 0 H GLY A 71 -2.792 2.574 2.039 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -4.396 4.051 0.416 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -3.827 4.587 1.984 1.00 0.00 H new ATOM 1001 N ASP A 72 -1.376 5.292 0.528 1.00 0.00 N ATOM 1002 CA ASP A 72 -0.478 6.277 -0.052 1.00 0.00 C ATOM 1003 C ASP A 72 -0.049 5.812 -1.445 1.00 0.00 C ATOM 1004 O ASP A 72 0.038 6.617 -2.372 1.00 0.00 O ATOM 1005 CB ASP A 72 0.782 6.441 0.799 1.00 0.00 C ATOM 1006 CG ASP A 72 1.375 7.852 0.811 1.00 0.00 C ATOM 1007 OD1 ASP A 72 0.903 8.749 0.096 1.00 0.00 O ATOM 1008 OD2 ASP A 72 2.378 8.016 1.606 1.00 0.00 O ATOM 0 H ASP A 72 -0.916 4.571 1.085 1.00 0.00 H new ATOM 0 HA ASP A 72 -1.008 7.228 -0.101 1.00 0.00 H new ATOM 0 HB2 ASP A 72 0.550 6.152 1.824 1.00 0.00 H new ATOM 0 HB3 ASP A 72 1.540 5.747 0.436 1.00 0.00 H new ATOM 1013 N VAL A 73 0.207 4.517 -1.549 1.00 0.00 N ATOM 1014 CA VAL A 73 0.623 3.937 -2.815 1.00 0.00 C ATOM 1015 C VAL A 73 -0.572 3.889 -3.769 1.00 0.00 C ATOM 1016 O VAL A 73 -0.405 3.691 -4.971 1.00 0.00 O ATOM 1017 CB VAL A 73 1.253 2.562 -2.578 1.00 0.00 C ATOM 1018 CG1 VAL A 73 1.870 2.012 -3.865 1.00 0.00 C ATOM 1019 CG2 VAL A 73 2.290 2.621 -1.454 1.00 0.00 C ATOM 0 H VAL A 73 0.135 3.853 -0.778 1.00 0.00 H new ATOM 0 HA VAL A 73 1.388 4.556 -3.284 1.00 0.00 H new ATOM 0 HB VAL A 73 0.461 1.880 -2.268 1.00 0.00 H new ATOM 0 HG11 VAL A 73 2.310 1.035 -3.669 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.096 1.915 -4.627 1.00 0.00 H new ATOM 0 HG13 VAL A 73 2.643 2.694 -4.218 1.00 0.00 H new ATOM 0 HG21 VAL A 73 2.722 1.632 -1.306 1.00 0.00 H new ATOM 0 HG22 VAL A 73 3.078 3.325 -1.722 1.00 0.00 H new ATOM 0 HG23 VAL A 73 1.809 2.949 -0.532 1.00 0.00 H new ATOM 1029 N VAL A 74 -1.752 4.076 -3.197 1.00 0.00 N ATOM 1030 CA VAL A 74 -2.976 4.058 -3.980 1.00 0.00 C ATOM 1031 C VAL A 74 -3.370 5.493 -4.335 1.00 0.00 C ATOM 1032 O VAL A 74 -3.515 5.828 -5.510 1.00 0.00 O ATOM 1033 CB VAL A 74 -4.071 3.306 -3.223 1.00 0.00 C ATOM 1034 CG1 VAL A 74 -5.409 3.394 -3.961 1.00 0.00 C ATOM 1035 CG2 VAL A 74 -3.672 1.848 -2.984 1.00 0.00 C ATOM 0 H VAL A 74 -1.887 4.241 -2.199 1.00 0.00 H new ATOM 0 HA VAL A 74 -2.822 3.522 -4.917 1.00 0.00 H new ATOM 0 HB VAL A 74 -4.193 3.784 -2.251 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -6.170 2.851 -3.401 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -5.705 4.439 -4.055 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -5.307 2.955 -4.953 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -4.469 1.337 -2.444 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -3.508 1.354 -3.942 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -2.755 1.813 -2.396 1.00 0.00 H new ATOM 1045 N ALA A 75 -3.534 6.301 -3.298 1.00 0.00 N ATOM 1046 CA ALA A 75 -3.909 7.692 -3.486 1.00 0.00 C ATOM 1047 C ALA A 75 -3.007 8.321 -4.549 1.00 0.00 C ATOM 1048 O ALA A 75 -3.494 8.869 -5.536 1.00 0.00 O ATOM 1049 CB ALA A 75 -3.830 8.427 -2.146 1.00 0.00 C ATOM 0 H ALA A 75 -3.414 6.019 -2.325 1.00 0.00 H new ATOM 0 HA ALA A 75 -4.937 7.767 -3.840 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -4.111 9.471 -2.286 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -4.511 7.960 -1.434 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -2.811 8.374 -1.762 1.00 0.00 H new ATOM 1055 N TYR A 76 -1.708 8.220 -4.311 1.00 0.00 N ATOM 1056 CA TYR A 76 -0.733 8.772 -5.237 1.00 0.00 C ATOM 1057 C TYR A 76 -1.120 8.468 -6.686 1.00 0.00 C ATOM 1058 O TYR A 76 -0.725 9.190 -7.601 1.00 0.00 O ATOM 1059 CB TYR A 76 0.592 8.076 -4.918 1.00 0.00 C ATOM 1060 CG TYR A 76 1.516 8.884 -4.005 1.00 0.00 C ATOM 1061 CD1 TYR A 76 0.981 9.663 -2.999 1.00 0.00 C ATOM 1062 CD2 TYR A 76 2.883 8.833 -4.185 1.00 0.00 C ATOM 1063 CE1 TYR A 76 1.850 10.424 -2.138 1.00 0.00 C ATOM 1064 CE2 TYR A 76 3.752 9.594 -3.325 1.00 0.00 C ATOM 1065 CZ TYR A 76 3.193 10.351 -2.344 1.00 0.00 C ATOM 1066 OH TYR A 76 4.013 11.069 -1.530 1.00 0.00 O ATOM 0 H TYR A 76 -1.308 7.764 -3.491 1.00 0.00 H new ATOM 0 HA TYR A 76 -0.672 9.855 -5.131 1.00 0.00 H new ATOM 0 HB2 TYR A 76 0.382 7.116 -4.447 1.00 0.00 H new ATOM 0 HB3 TYR A 76 1.114 7.866 -5.852 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -0.089 9.702 -2.857 1.00 0.00 H new ATOM 0 HD2 TYR A 76 3.301 8.222 -4.971 1.00 0.00 H new ATOM 0 HE1 TYR A 76 1.445 11.038 -1.347 1.00 0.00 H new ATOM 0 HE2 TYR A 76 4.824 9.564 -3.456 1.00 0.00 H new ATOM 0 HH TYR A 76 4.946 10.920 -1.792 1.00 0.00 H new ATOM 1075 N ILE A 77 -1.885 7.400 -6.848 1.00 0.00 N ATOM 1076 CA ILE A 77 -2.330 6.992 -8.171 1.00 0.00 C ATOM 1077 C ILE A 77 -3.543 7.830 -8.577 1.00 0.00 C ATOM 1078 O ILE A 77 -3.534 8.475 -9.626 1.00 0.00 O ATOM 1079 CB ILE A 77 -2.584 5.484 -8.209 1.00 0.00 C ATOM 1080 CG1 ILE A 77 -1.482 4.723 -7.468 1.00 0.00 C ATOM 1081 CG2 ILE A 77 -2.752 4.992 -9.648 1.00 0.00 C ATOM 1082 CD1 ILE A 77 -1.672 3.211 -7.605 1.00 0.00 C ATOM 0 H ILE A 77 -2.209 6.804 -6.086 1.00 0.00 H new ATOM 0 HA ILE A 77 -1.551 7.180 -8.910 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.520 5.283 -7.689 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -0.508 5.008 -7.865 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -1.490 5.000 -6.414 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -2.931 3.917 -9.646 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -3.598 5.500 -10.110 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -1.846 5.208 -10.214 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -0.876 2.694 -7.069 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -2.636 2.926 -7.185 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -1.639 2.934 -8.659 1.00 0.00 H new ATOM 1093 N GLN A 78 -4.558 7.796 -7.727 1.00 0.00 N ATOM 1094 CA GLN A 78 -5.776 8.545 -7.985 1.00 0.00 C ATOM 1095 C GLN A 78 -5.499 10.048 -7.925 1.00 0.00 C ATOM 1096 O GLN A 78 -5.860 10.788 -8.838 1.00 0.00 O ATOM 1097 CB GLN A 78 -6.880 8.152 -7.002 1.00 0.00 C ATOM 1098 CG GLN A 78 -7.195 6.657 -7.100 1.00 0.00 C ATOM 1099 CD GLN A 78 -7.973 6.179 -5.871 1.00 0.00 C ATOM 1100 OE1 GLN A 78 -8.525 6.959 -5.113 1.00 0.00 O ATOM 1101 NE2 GLN A 78 -7.985 4.858 -5.719 1.00 0.00 N ATOM 0 H GLN A 78 -4.562 7.261 -6.858 1.00 0.00 H new ATOM 0 HA GLN A 78 -6.124 8.300 -8.989 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -6.571 8.396 -5.986 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -7.780 8.731 -7.209 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -7.776 6.462 -8.001 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -6.268 6.091 -7.191 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -7.502 4.263 -6.392 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -8.478 4.440 -4.930 1.00 0.00 H new ATOM 1108 N LYS A 79 -4.858 10.456 -6.839 1.00 0.00 N ATOM 1109 CA LYS A 79 -4.527 11.857 -6.647 1.00 0.00 C ATOM 1110 C LYS A 79 -4.050 12.451 -7.974 1.00 0.00 C ATOM 1111 O LYS A 79 -4.569 13.471 -8.424 1.00 0.00 O ATOM 1112 CB LYS A 79 -3.522 12.020 -5.505 1.00 0.00 C ATOM 1113 CG LYS A 79 -4.001 11.294 -4.246 1.00 0.00 C ATOM 1114 CD LYS A 79 -4.319 12.289 -3.127 1.00 0.00 C ATOM 1115 CE LYS A 79 -3.036 12.876 -2.536 1.00 0.00 C ATOM 1116 NZ LYS A 79 -3.102 14.355 -2.520 1.00 0.00 N ATOM 0 H LYS A 79 -4.559 9.840 -6.083 1.00 0.00 H new ATOM 0 HA LYS A 79 -5.411 12.418 -6.345 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -2.553 11.626 -5.810 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -3.382 13.079 -5.288 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -4.889 10.705 -4.477 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -3.234 10.596 -3.910 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -4.945 13.092 -3.516 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -4.890 11.791 -2.344 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -2.891 12.502 -1.523 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -2.177 12.551 -3.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -2.223 14.737 -2.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -3.219 14.708 -3.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -3.911 14.660 -1.942 1.00 0.00 H new ATOM 1125 N LEU A 80 -3.067 11.786 -8.564 1.00 0.00 N ATOM 1126 CA LEU A 80 -2.515 12.234 -9.831 1.00 0.00 C ATOM 1127 C LEU A 80 -3.625 12.272 -10.882 1.00 0.00 C ATOM 1128 O LEU A 80 -3.689 13.198 -11.689 1.00 0.00 O ATOM 1129 CB LEU A 80 -1.318 11.367 -10.230 1.00 0.00 C ATOM 1130 CG LEU A 80 -0.001 12.109 -10.466 1.00 0.00 C ATOM 1131 CD1 LEU A 80 -0.132 13.107 -11.619 1.00 0.00 C ATOM 1132 CD2 LEU A 80 0.488 12.779 -9.180 1.00 0.00 C ATOM 0 H LEU A 80 -2.639 10.940 -8.188 1.00 0.00 H new ATOM 0 HA LEU A 80 -2.128 13.249 -9.740 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -1.158 10.623 -9.450 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.575 10.825 -11.140 1.00 0.00 H new ATOM 0 HG LEU A 80 0.755 11.380 -10.757 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.818 13.621 -11.765 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.401 12.575 -12.532 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.906 13.837 -11.382 1.00 0.00 H new ATOM 0 HD21 LEU A 80 1.426 13.300 -9.375 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.259 13.494 -8.835 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.646 12.021 -8.413 1.00 0.00 H new ATOM 1143 N GLU A 81 -4.473 11.254 -10.838 1.00 0.00 N ATOM 1144 CA GLU A 81 -5.578 11.160 -11.776 1.00 0.00 C ATOM 1145 C GLU A 81 -6.530 12.344 -11.598 1.00 0.00 C ATOM 1146 O GLU A 81 -6.841 13.046 -12.558 1.00 0.00 O ATOM 1147 CB GLU A 81 -6.319 9.831 -11.618 1.00 0.00 C ATOM 1148 CG GLU A 81 -5.844 8.811 -12.654 1.00 0.00 C ATOM 1149 CD GLU A 81 -5.433 7.499 -11.984 1.00 0.00 C ATOM 1150 OE1 GLU A 81 -6.134 7.018 -11.081 1.00 0.00 O ATOM 1151 OE2 GLU A 81 -4.342 6.976 -12.433 1.00 0.00 O ATOM 0 H GLU A 81 -4.416 10.488 -10.167 1.00 0.00 H new ATOM 0 HA GLU A 81 -5.174 11.195 -12.788 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -6.157 9.438 -10.614 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -7.391 9.993 -11.728 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -6.640 8.622 -13.374 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -5.000 9.219 -13.211 1.00 0.00 H new ATOM 1157 N GLU A 82 -6.965 12.530 -10.359 1.00 0.00 N ATOM 1158 CA GLU A 82 -7.876 13.617 -10.043 1.00 0.00 C ATOM 1159 C GLU A 82 -7.183 14.643 -9.143 1.00 0.00 C ATOM 1160 O GLU A 82 -6.394 15.458 -9.619 1.00 0.00 O ATOM 1161 CB GLU A 82 -9.153 13.088 -9.387 1.00 0.00 C ATOM 1162 CG GLU A 82 -8.852 11.891 -8.485 1.00 0.00 C ATOM 1163 CD GLU A 82 -9.953 11.702 -7.438 1.00 0.00 C ATOM 1164 OE1 GLU A 82 -11.145 11.778 -7.771 1.00 0.00 O ATOM 1165 OE2 GLU A 82 -9.533 11.468 -6.242 1.00 0.00 O ATOM 0 H GLU A 82 -6.704 11.947 -9.564 1.00 0.00 H new ATOM 0 HA GLU A 82 -8.161 14.110 -10.973 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -9.620 13.880 -8.802 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -9.868 12.797 -10.157 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -8.762 10.989 -9.090 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -7.893 12.038 -7.987 1.00 0.00 H new ATOM 1171 N GLU A 83 -7.503 14.571 -7.860 1.00 0.00 N ATOM 1172 CA GLU A 83 -6.922 15.483 -6.890 1.00 0.00 C ATOM 1173 C GLU A 83 -7.043 14.906 -5.479 1.00 0.00 C ATOM 1174 O GLU A 83 -6.056 14.452 -4.902 1.00 0.00 O ATOM 1175 CB GLU A 83 -7.576 16.863 -6.977 1.00 0.00 C ATOM 1176 CG GLU A 83 -7.329 17.504 -8.344 1.00 0.00 C ATOM 1177 CD GLU A 83 -7.698 18.988 -8.329 1.00 0.00 C ATOM 1178 OE1 GLU A 83 -6.903 19.821 -7.869 1.00 0.00 O ATOM 1179 OE2 GLU A 83 -8.858 19.266 -8.821 1.00 0.00 O ATOM 0 H GLU A 83 -8.158 13.894 -7.469 1.00 0.00 H new ATOM 0 HA GLU A 83 -5.864 15.603 -7.121 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -8.648 16.772 -6.803 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -7.179 17.507 -6.193 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -6.281 17.389 -8.619 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -7.916 16.987 -9.103 1.00 0.00 H new ATOM 1185 N ASN A 84 -8.263 14.942 -4.962 1.00 0.00 N ATOM 1186 CA ASN A 84 -8.526 14.428 -3.628 1.00 0.00 C ATOM 1187 C ASN A 84 -8.047 15.445 -2.591 1.00 0.00 C ATOM 1188 O ASN A 84 -7.017 15.244 -1.950 1.00 0.00 O ATOM 1189 CB ASN A 84 -7.778 13.116 -3.386 1.00 0.00 C ATOM 1190 CG ASN A 84 -8.596 12.172 -2.502 1.00 0.00 C ATOM 1191 OD1 ASN A 84 -9.758 11.896 -2.755 1.00 0.00 O ATOM 1192 ND2 ASN A 84 -7.928 11.697 -1.456 1.00 0.00 N ATOM 0 H ASN A 84 -9.080 15.319 -5.443 1.00 0.00 H new ATOM 0 HA ASN A 84 -9.598 14.253 -3.539 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -7.565 12.633 -4.340 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -6.818 13.323 -2.912 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -8.386 11.060 -0.805 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -6.957 11.970 -1.304 1.00 0.00 H new ATOM 1198 N PRO A 85 -8.838 16.543 -2.453 1.00 0.00 N ATOM 1199 CA PRO A 85 -8.504 17.591 -1.505 1.00 0.00 C ATOM 1200 C PRO A 85 -8.809 17.150 -0.071 1.00 0.00 C ATOM 1201 O PRO A 85 -9.544 17.826 0.647 1.00 0.00 O ATOM 1202 CB PRO A 85 -9.325 18.793 -1.942 1.00 0.00 C ATOM 1203 CG PRO A 85 -10.430 18.243 -2.829 1.00 0.00 C ATOM 1204 CD PRO A 85 -10.066 16.814 -3.196 1.00 0.00 C ATOM 0 HA PRO A 85 -7.441 17.831 -1.501 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -9.740 19.317 -1.081 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -8.709 19.510 -2.485 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -11.387 18.271 -2.308 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -10.538 18.852 -3.727 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -10.859 16.119 -2.918 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -9.911 16.708 -4.270 1.00 0.00 H new ATOM 1209 N GLU A 86 -8.227 16.019 0.302 1.00 0.00 N ATOM 1210 CA GLU A 86 -8.427 15.480 1.636 1.00 0.00 C ATOM 1211 C GLU A 86 -7.102 14.964 2.203 1.00 0.00 C ATOM 1212 O GLU A 86 -6.522 15.581 3.094 1.00 0.00 O ATOM 1213 CB GLU A 86 -9.488 14.379 1.630 1.00 0.00 C ATOM 1214 CG GLU A 86 -9.942 14.047 3.053 1.00 0.00 C ATOM 1215 CD GLU A 86 -11.207 14.826 3.421 1.00 0.00 C ATOM 1216 OE1 GLU A 86 -12.030 15.122 2.541 1.00 0.00 O ATOM 1217 OE2 GLU A 86 -11.320 15.123 4.670 1.00 0.00 O ATOM 0 H GLU A 86 -7.617 15.462 -0.296 1.00 0.00 H new ATOM 0 HA GLU A 86 -8.788 16.281 2.281 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -10.345 14.698 1.036 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -9.086 13.484 1.155 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -10.132 12.977 3.138 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -9.146 14.286 3.758 1.00 0.00 H new ATOM 1223 N ALA A 87 -6.665 13.836 1.663 1.00 0.00 N ATOM 1224 CA ALA A 87 -5.421 13.229 2.104 1.00 0.00 C ATOM 1225 C ALA A 87 -5.430 11.741 1.749 1.00 0.00 C ATOM 1226 O ALA A 87 -5.438 10.888 2.636 1.00 0.00 O ATOM 1227 CB ALA A 87 -5.238 13.470 3.603 1.00 0.00 C ATOM 0 H ALA A 87 -7.150 13.327 0.924 1.00 0.00 H new ATOM 0 HA ALA A 87 -4.571 13.684 1.595 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -4.305 13.014 3.933 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -5.208 14.542 3.798 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -6.071 13.026 4.147 1.00 0.00 H new ATOM 1233 N ALA A 88 -5.429 11.474 0.451 1.00 0.00 N ATOM 1234 CA ALA A 88 -5.438 10.103 -0.032 1.00 0.00 C ATOM 1235 C ALA A 88 -6.716 9.410 0.441 1.00 0.00 C ATOM 1236 O ALA A 88 -7.012 9.392 1.634 1.00 0.00 O ATOM 1237 CB ALA A 88 -4.174 9.386 0.447 1.00 0.00 C ATOM 0 H ALA A 88 -5.422 12.184 -0.281 1.00 0.00 H new ATOM 0 HA ALA A 88 -5.434 10.079 -1.122 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -4.180 8.358 0.085 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -3.295 9.902 0.061 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -4.146 9.387 1.537 1.00 0.00 H new ATOM 1243 N GLN A 89 -7.440 8.855 -0.521 1.00 0.00 N ATOM 1244 CA GLN A 89 -8.680 8.162 -0.219 1.00 0.00 C ATOM 1245 C GLN A 89 -8.524 7.322 1.052 1.00 0.00 C ATOM 1246 O GLN A 89 -7.462 6.753 1.297 1.00 0.00 O ATOM 1247 CB GLN A 89 -9.124 7.292 -1.398 1.00 0.00 C ATOM 1248 CG GLN A 89 -8.321 5.992 -1.453 1.00 0.00 C ATOM 1249 CD GLN A 89 -8.892 5.038 -2.504 1.00 0.00 C ATOM 1250 OE1 GLN A 89 -8.311 3.843 -2.525 1.00 0.00 O flip ATOM 1251 NE2 GLN A 89 -9.802 5.368 -3.248 1.00 0.00 N flip ATOM 0 H GLN A 89 -7.191 8.872 -1.510 1.00 0.00 H new ATOM 0 HA GLN A 89 -9.456 8.908 -0.046 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -10.186 7.064 -1.307 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -8.995 7.843 -2.330 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -7.279 6.214 -1.686 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -8.334 5.511 -0.475 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -10.204 6.303 -3.179 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -10.161 4.709 -3.939 1.00 0.00 H new ATOM 1258 N ALA A 90 -9.597 7.275 1.826 1.00 0.00 N ATOM 1259 CA ALA A 90 -9.592 6.516 3.066 1.00 0.00 C ATOM 1260 C ALA A 90 -8.952 7.357 4.171 1.00 0.00 C ATOM 1261 O ALA A 90 -8.109 6.866 4.921 1.00 0.00 O ATOM 1262 CB ALA A 90 -8.865 5.188 2.848 1.00 0.00 C ATOM 0 H ALA A 90 -10.476 7.750 1.620 1.00 0.00 H new ATOM 0 HA ALA A 90 -10.610 6.283 3.378 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -8.861 4.619 3.777 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -9.377 4.616 2.074 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -7.839 5.382 2.537 1.00 0.00 H new ATOM 1268 N LEU A 91 -9.376 8.611 4.239 1.00 0.00 N ATOM 1269 CA LEU A 91 -8.854 9.524 5.241 1.00 0.00 C ATOM 1270 C LEU A 91 -10.015 10.277 5.893 1.00 0.00 C ATOM 1271 O LEU A 91 -10.931 10.727 5.207 1.00 0.00 O ATOM 1272 CB LEU A 91 -7.794 10.443 4.628 1.00 0.00 C ATOM 1273 CG LEU A 91 -6.916 11.209 5.619 1.00 0.00 C ATOM 1274 CD1 LEU A 91 -7.638 12.451 6.145 1.00 0.00 C ATOM 1275 CD2 LEU A 91 -6.446 10.296 6.754 1.00 0.00 C ATOM 0 H LEU A 91 -10.075 9.016 3.616 1.00 0.00 H new ATOM 0 HA LEU A 91 -8.347 8.971 6.032 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -7.147 9.842 3.989 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -8.296 11.165 3.984 1.00 0.00 H new ATOM 0 HG LEU A 91 -6.026 11.553 5.092 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -6.992 12.977 6.848 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -7.881 13.110 5.312 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -8.556 12.151 6.651 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -5.824 10.865 7.445 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -7.312 9.902 7.286 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -5.867 9.470 6.341 1.00 0.00 H new ATOM 1286 N ARG A 92 -9.940 10.389 7.211 1.00 0.00 N ATOM 1287 CA ARG A 92 -10.973 11.078 7.964 1.00 0.00 C ATOM 1288 C ARG A 92 -10.603 11.133 9.447 1.00 0.00 C ATOM 1289 O ARG A 92 -11.355 10.657 10.297 1.00 0.00 O ATOM 1290 CB ARG A 92 -12.326 10.381 7.808 1.00 0.00 C ATOM 1291 CG ARG A 92 -12.260 8.939 8.314 1.00 0.00 C ATOM 1292 CD ARG A 92 -13.564 8.542 9.012 1.00 0.00 C ATOM 1293 NE ARG A 92 -13.368 8.529 10.479 1.00 0.00 N ATOM 1294 CZ ARG A 92 -14.364 8.347 11.373 1.00 0.00 C ATOM 1295 NH1 ARG A 92 -15.634 8.162 10.957 1.00 0.00 N ATOM 1296 NH2 ARG A 92 -14.075 8.354 12.662 1.00 0.00 N ATOM 0 H ARG A 92 -9.179 10.014 7.777 1.00 0.00 H new ATOM 0 HA ARG A 92 -11.051 12.091 7.569 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -13.088 10.930 8.361 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -12.625 10.389 6.760 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -12.071 8.265 7.479 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -11.425 8.831 9.006 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -14.356 9.244 8.749 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -13.884 7.558 8.671 1.00 0.00 H new ATOM 0 HE ARG A 92 -12.423 8.666 10.837 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -15.849 8.159 9.960 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -16.379 8.025 11.640 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -13.112 8.495 12.968 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -14.815 8.218 13.351 1.00 0.00 H new ATOM 1305 N ALA A 93 -9.444 11.717 9.714 1.00 0.00 N ATOM 1306 CA ALA A 93 -8.965 11.839 11.080 1.00 0.00 C ATOM 1307 C ALA A 93 -7.836 12.872 11.130 1.00 0.00 C ATOM 1308 O ALA A 93 -8.010 13.962 11.673 1.00 0.00 O ATOM 1309 CB ALA A 93 -8.522 10.466 11.592 1.00 0.00 C ATOM 0 H ALA A 93 -8.823 12.111 9.007 1.00 0.00 H new ATOM 0 HA ALA A 93 -9.762 12.189 11.736 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -8.163 10.558 12.617 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -9.367 9.777 11.564 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -7.721 10.083 10.960 1.00 0.00 H new ATOM 1315 N LYS A 94 -6.704 12.491 10.555 1.00 0.00 N ATOM 1316 CA LYS A 94 -5.548 13.370 10.526 1.00 0.00 C ATOM 1317 C LYS A 94 -4.820 13.207 9.190 1.00 0.00 C ATOM 1318 O LYS A 94 -4.575 12.085 8.747 1.00 0.00 O ATOM 1319 CB LYS A 94 -4.656 13.124 11.746 1.00 0.00 C ATOM 1320 CG LYS A 94 -5.319 13.646 13.023 1.00 0.00 C ATOM 1321 CD LYS A 94 -6.025 12.518 13.776 1.00 0.00 C ATOM 1322 CE LYS A 94 -5.034 11.720 14.625 1.00 0.00 C ATOM 1323 NZ LYS A 94 -5.574 11.505 15.986 1.00 0.00 N ATOM 0 H LYS A 94 -6.563 11.586 10.106 1.00 0.00 H new ATOM 0 HA LYS A 94 -5.861 14.412 10.593 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -4.456 12.057 11.846 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -3.694 13.617 11.603 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -4.567 14.102 13.667 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -6.038 14.425 12.771 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -6.804 12.934 14.415 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -6.517 11.854 13.065 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -4.832 10.759 14.152 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -4.085 12.253 14.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -4.889 10.962 16.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -5.745 12.424 16.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -6.468 10.977 15.925 1.00 0.00 H new ATOM 1332 N ILE A 95 -4.496 14.340 8.586 1.00 0.00 N ATOM 1333 CA ILE A 95 -3.802 14.335 7.310 1.00 0.00 C ATOM 1334 C ILE A 95 -2.472 13.593 7.460 1.00 0.00 C ATOM 1335 O ILE A 95 -2.048 12.883 6.550 1.00 0.00 O ATOM 1336 CB ILE A 95 -3.654 15.762 6.776 1.00 0.00 C ATOM 1337 CG1 ILE A 95 -4.938 16.227 6.088 1.00 0.00 C ATOM 1338 CG2 ILE A 95 -2.437 15.879 5.856 1.00 0.00 C ATOM 1339 CD1 ILE A 95 -5.985 16.660 7.117 1.00 0.00 C ATOM 0 H ILE A 95 -4.701 15.268 8.957 1.00 0.00 H new ATOM 0 HA ILE A 95 -4.384 13.797 6.561 1.00 0.00 H new ATOM 0 HB ILE A 95 -3.484 16.427 7.623 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -4.716 17.058 5.418 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -5.338 15.421 5.474 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -2.354 16.902 5.490 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -1.535 15.618 6.410 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -2.553 15.200 5.011 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -6.888 16.986 6.602 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -6.223 15.820 7.770 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -5.590 17.483 7.713 1.00 0.00 H new ATOM 1350 N GLU A 96 -1.852 13.785 8.614 1.00 0.00 N ATOM 1351 CA GLU A 96 -0.579 13.143 8.894 1.00 0.00 C ATOM 1352 C GLU A 96 -0.801 11.695 9.339 1.00 0.00 C ATOM 1353 O GLU A 96 -0.356 10.762 8.671 1.00 0.00 O ATOM 1354 CB GLU A 96 0.209 13.924 9.948 1.00 0.00 C ATOM 1355 CG GLU A 96 1.504 13.196 10.316 1.00 0.00 C ATOM 1356 CD GLU A 96 1.710 13.179 11.833 1.00 0.00 C ATOM 1357 OE1 GLU A 96 2.691 13.751 12.331 1.00 0.00 O ATOM 1358 OE2 GLU A 96 0.807 12.543 12.499 1.00 0.00 O ATOM 0 H GLU A 96 -2.207 14.376 9.366 1.00 0.00 H new ATOM 0 HA GLU A 96 0.011 13.135 7.977 1.00 0.00 H new ATOM 0 HB2 GLU A 96 0.442 14.919 9.569 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -0.403 14.058 10.840 1.00 0.00 H new ATOM 0 HG2 GLU A 96 1.471 12.174 9.938 1.00 0.00 H new ATOM 0 HG3 GLU A 96 2.351 13.687 9.836 1.00 0.00 H new ATOM 1364 N SER A 97 -1.489 11.553 10.462 1.00 0.00 N ATOM 1365 CA SER A 97 -1.775 10.236 11.002 1.00 0.00 C ATOM 1366 C SER A 97 -2.916 9.585 10.218 1.00 0.00 C ATOM 1367 O SER A 97 -4.026 9.445 10.728 1.00 0.00 O ATOM 1368 CB SER A 97 -2.131 10.315 12.488 1.00 0.00 C ATOM 1369 OG SER A 97 -0.974 10.259 13.319 1.00 0.00 O ATOM 0 H SER A 97 -1.857 12.329 11.013 1.00 0.00 H new ATOM 0 HA SER A 97 -0.878 9.624 10.902 1.00 0.00 H new ATOM 0 HB2 SER A 97 -2.672 11.241 12.682 1.00 0.00 H new ATOM 0 HB3 SER A 97 -2.801 9.494 12.744 1.00 0.00 H new ATOM 0 HG SER A 97 -0.365 10.989 13.081 1.00 0.00 H new ATOM 1374 N GLU A 98 -2.602 9.203 8.988 1.00 0.00 N ATOM 1375 CA GLU A 98 -3.587 8.570 8.127 1.00 0.00 C ATOM 1376 C GLU A 98 -4.351 7.492 8.898 1.00 0.00 C ATOM 1377 O GLU A 98 -3.783 6.814 9.751 1.00 0.00 O ATOM 1378 CB GLU A 98 -2.927 7.986 6.877 1.00 0.00 C ATOM 1379 CG GLU A 98 -2.664 9.076 5.835 1.00 0.00 C ATOM 1380 CD GLU A 98 -2.935 8.559 4.420 1.00 0.00 C ATOM 1381 OE1 GLU A 98 -4.069 8.664 3.929 1.00 0.00 O ATOM 1382 OE2 GLU A 98 -1.916 8.035 3.827 1.00 0.00 O ATOM 0 H GLU A 98 -1.680 9.320 8.568 1.00 0.00 H new ATOM 0 HA GLU A 98 -4.298 9.329 7.801 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -1.988 7.504 7.149 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -3.569 7.216 6.449 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -3.298 9.939 6.038 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -1.631 9.415 5.911 1.00 0.00 H new ATOM 1388 N ASN A 99 -5.629 7.368 8.570 1.00 0.00 N ATOM 1389 CA ASN A 99 -6.477 6.384 9.220 1.00 0.00 C ATOM 1390 C ASN A 99 -7.612 5.989 8.273 1.00 0.00 C ATOM 1391 O ASN A 99 -8.485 6.802 7.972 1.00 0.00 O ATOM 1392 CB ASN A 99 -7.102 6.953 10.496 1.00 0.00 C ATOM 1393 CG ASN A 99 -7.910 5.884 11.234 1.00 0.00 C ATOM 1394 OD1 ASN A 99 -9.226 6.069 11.181 1.00 0.00 O flip ATOM 1395 ND2 ASN A 99 -7.375 4.953 11.813 1.00 0.00 N flip ATOM 0 H ASN A 99 -6.098 7.933 7.862 1.00 0.00 H new ATOM 0 HA ASN A 99 -5.860 5.522 9.474 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -6.318 7.337 11.149 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -7.748 7.794 10.245 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -6.358 4.870 11.815 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -7.944 4.257 12.295 1.00 0.00 H new ATOM 1401 N PRO A 100 -7.562 4.708 7.819 1.00 0.00 N ATOM 1402 CA PRO A 100 -8.576 4.195 6.913 1.00 0.00 C ATOM 1403 C PRO A 100 -9.885 3.918 7.655 1.00 0.00 C ATOM 1404 O PRO A 100 -10.346 2.779 7.703 1.00 0.00 O ATOM 1405 CB PRO A 100 -7.963 2.946 6.304 1.00 0.00 C ATOM 1406 CG PRO A 100 -6.825 2.546 7.229 1.00 0.00 C ATOM 1407 CD PRO A 100 -6.544 3.717 8.155 1.00 0.00 C ATOM 0 HA PRO A 100 -8.846 4.910 6.136 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -8.701 2.148 6.225 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -7.597 3.142 5.296 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -7.094 1.660 7.804 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -5.935 2.293 6.652 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -6.611 3.419 9.201 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -5.540 4.112 8.000 1.00 0.00 H new ATOM 1412 N ASP A 101 -10.447 4.980 8.215 1.00 0.00 N ATOM 1413 CA ASP A 101 -11.693 4.865 8.952 1.00 0.00 C ATOM 1414 C ASP A 101 -11.497 3.911 10.132 1.00 0.00 C ATOM 1415 O ASP A 101 -10.795 2.909 10.015 1.00 0.00 O ATOM 1416 CB ASP A 101 -12.806 4.300 8.067 1.00 0.00 C ATOM 1417 CG ASP A 101 -14.044 3.807 8.820 1.00 0.00 C ATOM 1418 OD1 ASP A 101 -14.994 4.568 9.056 1.00 0.00 O ATOM 1419 OD2 ASP A 101 -14.008 2.566 9.175 1.00 0.00 O ATOM 0 H ASP A 101 -10.062 5.924 8.173 1.00 0.00 H new ATOM 0 HA ASP A 101 -11.975 5.861 9.295 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -13.113 5.070 7.359 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -12.401 3.473 7.483 1.00 0.00 H new ATOM 1424 N ALA A 102 -12.133 4.256 11.243 1.00 0.00 N ATOM 1425 CA ALA A 102 -12.036 3.444 12.443 1.00 0.00 C ATOM 1426 C ALA A 102 -12.881 4.076 13.550 1.00 0.00 C ATOM 1427 O ALA A 102 -12.468 4.110 14.709 1.00 0.00 O ATOM 1428 CB ALA A 102 -10.567 3.295 12.843 1.00 0.00 C ATOM 0 H ALA A 102 -12.717 5.087 11.336 1.00 0.00 H new ATOM 0 HA ALA A 102 -12.426 2.443 12.261 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -10.495 2.685 13.744 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -10.017 2.814 12.034 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -10.141 4.279 13.036 1.00 0.00 H new ATOM 1434 N VAL A 103 -14.049 4.561 13.156 1.00 0.00 N ATOM 1435 CA VAL A 103 -14.956 5.191 14.102 1.00 0.00 C ATOM 1436 C VAL A 103 -14.149 6.032 15.092 1.00 0.00 C ATOM 1437 O VAL A 103 -13.015 6.414 14.809 1.00 0.00 O ATOM 1438 CB VAL A 103 -15.821 4.129 14.784 1.00 0.00 C ATOM 1439 CG1 VAL A 103 -15.166 3.635 16.075 1.00 0.00 C ATOM 1440 CG2 VAL A 103 -17.230 4.660 15.052 1.00 0.00 C ATOM 0 H VAL A 103 -14.389 4.531 12.195 1.00 0.00 H new ATOM 0 HA VAL A 103 -15.640 5.865 13.586 1.00 0.00 H new ATOM 0 HB VAL A 103 -15.906 3.280 14.106 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -15.801 2.881 16.540 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -14.194 3.199 15.846 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -15.036 4.472 16.760 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -17.824 3.886 15.537 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -17.172 5.534 15.701 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -17.699 4.940 14.109 1.00 0.00 H new ATOM 1450 N ALA A 104 -14.766 6.294 16.236 1.00 0.00 N ATOM 1451 CA ALA A 104 -14.119 7.083 17.271 1.00 0.00 C ATOM 1452 C ALA A 104 -14.844 6.864 18.601 1.00 0.00 C ATOM 1453 O ALA A 104 -14.261 6.344 19.551 1.00 0.00 O ATOM 1454 CB ALA A 104 -14.098 8.555 16.854 1.00 0.00 C ATOM 0 H ALA A 104 -15.706 5.974 16.468 1.00 0.00 H new ATOM 0 HA ALA A 104 -13.084 6.767 17.403 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -13.613 9.146 17.631 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -13.547 8.661 15.920 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -15.120 8.908 16.714 1.00 0.00 H new ATOM 1460 N ASN A 105 -16.104 7.271 18.625 1.00 0.00 N ATOM 1461 CA ASN A 105 -16.914 7.126 19.823 1.00 0.00 C ATOM 1462 C ASN A 105 -18.259 7.823 19.610 1.00 0.00 C ATOM 1463 O ASN A 105 -18.303 9.004 19.270 1.00 0.00 O ATOM 1464 CB ASN A 105 -16.232 7.771 21.031 1.00 0.00 C ATOM 1465 CG ASN A 105 -15.915 9.243 20.761 1.00 0.00 C ATOM 1466 OD1 ASN A 105 -14.728 9.447 20.199 1.00 0.00 O flip ATOM 1467 ND2 ASN A 105 -16.699 10.134 21.044 1.00 0.00 N flip ATOM 0 H ASN A 105 -16.584 7.701 17.835 1.00 0.00 H new ATOM 0 HA ASN A 105 -17.049 6.061 20.013 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -16.879 7.689 21.905 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -15.312 7.234 21.263 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -17.595 9.907 21.475 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -16.458 11.106 20.850 1.00 0.00 H new ATOM 1473 N VAL A 106 -19.324 7.063 19.822 1.00 0.00 N ATOM 1474 CA VAL A 106 -20.666 7.593 19.657 1.00 0.00 C ATOM 1475 C VAL A 106 -21.319 7.752 21.032 1.00 0.00 C ATOM 1476 O VAL A 106 -20.800 7.253 22.031 1.00 0.00 O ATOM 1477 CB VAL A 106 -21.472 6.697 18.714 1.00 0.00 C ATOM 1478 CG1 VAL A 106 -22.768 7.383 18.280 1.00 0.00 C ATOM 1479 CG2 VAL A 106 -20.635 6.288 17.500 1.00 0.00 C ATOM 0 H VAL A 106 -19.284 6.084 20.107 1.00 0.00 H new ATOM 0 HA VAL A 106 -20.632 8.580 19.196 1.00 0.00 H new ATOM 0 HB VAL A 106 -21.739 5.791 19.258 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -23.322 6.725 17.610 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -23.376 7.602 19.158 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -22.532 8.312 17.762 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -21.230 5.652 16.845 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -20.324 7.180 16.955 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -19.753 5.741 17.834 1.00 0.00 H new ATOM 1489 N GLN A 107 -22.446 8.448 21.040 1.00 0.00 N ATOM 1490 CA GLN A 107 -23.174 8.678 22.277 1.00 0.00 C ATOM 1491 C GLN A 107 -24.661 8.893 21.985 1.00 0.00 C ATOM 1492 O GLN A 107 -25.076 10.000 21.644 1.00 0.00 O ATOM 1493 CB GLN A 107 -22.589 9.865 23.045 1.00 0.00 C ATOM 1494 CG GLN A 107 -23.372 10.124 24.334 1.00 0.00 C ATOM 1495 CD GLN A 107 -22.482 10.777 25.394 1.00 0.00 C ATOM 1496 OE1 GLN A 107 -21.475 11.400 25.098 1.00 0.00 O ATOM 1497 NE2 GLN A 107 -22.908 10.600 26.641 1.00 0.00 N ATOM 0 H GLN A 107 -22.873 8.860 20.210 1.00 0.00 H new ATOM 0 HA GLN A 107 -23.071 7.794 22.906 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -21.544 9.669 23.284 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -22.611 10.756 22.417 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -24.225 10.769 24.122 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -23.770 9.184 24.717 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -23.760 10.067 26.818 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -22.383 10.997 27.420 1.00 0.00 H new ATOM 1504 N ALA A 108 -25.421 7.818 22.130 1.00 0.00 N ATOM 1505 CA ALA A 108 -26.852 7.875 21.886 1.00 0.00 C ATOM 1506 C ALA A 108 -27.496 6.566 22.344 1.00 0.00 C ATOM 1507 O ALA A 108 -28.319 5.992 21.634 1.00 0.00 O ATOM 1508 CB ALA A 108 -27.107 8.163 20.405 1.00 0.00 C ATOM 0 H ALA A 108 -25.073 6.902 22.413 1.00 0.00 H new ATOM 0 HA ALA A 108 -27.306 8.684 22.458 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -28.181 8.206 20.222 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -26.655 9.118 20.137 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -26.667 7.371 19.799 1.00 0.00 H new ATOM 1514 N ARG A 109 -27.097 6.130 23.531 1.00 0.00 N ATOM 1515 CA ARG A 109 -27.625 4.900 24.093 1.00 0.00 C ATOM 1516 C ARG A 109 -28.248 5.166 25.465 1.00 0.00 C ATOM 1517 O ARG A 109 -27.962 4.456 26.429 1.00 0.00 O ATOM 1518 CB ARG A 109 -26.527 3.843 24.236 1.00 0.00 C ATOM 1519 CG ARG A 109 -25.366 4.372 25.080 1.00 0.00 C ATOM 1520 CD ARG A 109 -24.084 4.470 24.250 1.00 0.00 C ATOM 1521 NE ARG A 109 -22.958 4.907 25.105 1.00 0.00 N ATOM 1522 CZ ARG A 109 -22.253 4.082 25.907 1.00 0.00 C ATOM 1523 NH1 ARG A 109 -22.551 2.767 25.969 1.00 0.00 N ATOM 1524 NH2 ARG A 109 -21.266 4.580 26.630 1.00 0.00 N ATOM 0 H ARG A 109 -26.414 6.608 24.118 1.00 0.00 H new ATOM 0 HA ARG A 109 -28.388 4.526 23.410 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -26.939 2.946 24.698 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -26.163 3.555 23.250 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -25.620 5.354 25.480 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -25.202 3.713 25.933 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -23.857 3.503 23.802 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -24.224 5.176 23.431 1.00 0.00 H new ATOM 0 HE ARG A 109 -22.699 5.893 25.087 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -23.314 2.390 25.407 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -22.013 2.150 26.578 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -21.047 5.575 26.577 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -20.723 3.970 27.241 1.00 0.00 H new ATOM 1533 N LEU A 110 -29.086 6.191 25.510 1.00 0.00 N ATOM 1534 CA LEU A 110 -29.751 6.560 26.748 1.00 0.00 C ATOM 1535 C LEU A 110 -31.252 6.296 26.614 1.00 0.00 C ATOM 1536 O LEU A 110 -31.843 6.565 25.569 1.00 0.00 O ATOM 1537 CB LEU A 110 -29.412 8.002 27.128 1.00 0.00 C ATOM 1538 CG LEU A 110 -30.079 8.536 28.398 1.00 0.00 C ATOM 1539 CD1 LEU A 110 -29.504 7.858 29.644 1.00 0.00 C ATOM 1540 CD2 LEU A 110 -29.973 10.061 28.475 1.00 0.00 C ATOM 0 H LEU A 110 -29.320 6.778 24.709 1.00 0.00 H new ATOM 0 HA LEU A 110 -29.391 5.944 27.572 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -28.332 8.081 27.248 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -29.688 8.650 26.296 1.00 0.00 H new ATOM 0 HG LEU A 110 -31.140 8.290 28.356 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -29.994 8.255 30.533 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -29.674 6.783 29.585 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -28.433 8.053 29.703 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -30.455 10.414 29.387 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -28.923 10.353 28.483 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -30.466 10.504 27.610 1.00 0.00 H new ATOM 1551 N GLU A 111 -31.827 5.773 27.686 1.00 0.00 N ATOM 1552 CA GLU A 111 -33.247 5.469 27.702 1.00 0.00 C ATOM 1553 C GLU A 111 -33.852 5.823 29.062 1.00 0.00 C ATOM 1554 O GLU A 111 -33.600 5.140 30.054 1.00 0.00 O ATOM 1555 CB GLU A 111 -33.499 4.000 27.357 1.00 0.00 C ATOM 1556 CG GLU A 111 -33.082 3.695 25.916 1.00 0.00 C ATOM 1557 CD GLU A 111 -34.077 4.293 24.919 1.00 0.00 C ATOM 1558 OE1 GLU A 111 -34.997 3.596 24.468 1.00 0.00 O ATOM 1559 OE2 GLU A 111 -33.870 5.530 24.617 1.00 0.00 O ATOM 0 H GLU A 111 -31.334 5.552 28.551 1.00 0.00 H new ATOM 0 HA GLU A 111 -33.735 6.076 26.940 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -32.943 3.361 28.043 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -34.556 3.768 27.490 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -32.087 4.098 25.728 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -33.021 2.616 25.772 1.00 0.00 H new ATOM 1565 N ALA A 112 -34.636 6.891 29.066 1.00 0.00 N ATOM 1566 CA ALA A 112 -35.279 7.343 30.288 1.00 0.00 C ATOM 1567 C ALA A 112 -36.491 8.207 29.932 1.00 0.00 C ATOM 1568 O ALA A 112 -36.398 9.097 29.089 1.00 0.00 O ATOM 1569 CB ALA A 112 -34.261 8.094 31.151 1.00 0.00 C ATOM 0 H ALA A 112 -34.841 7.457 28.242 1.00 0.00 H new ATOM 0 HA ALA A 112 -35.639 6.494 30.870 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -34.742 8.434 32.068 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -33.434 7.429 31.400 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -33.881 8.955 30.600 1.00 0.00 H new ATOM 1575 N GLU A 113 -37.600 7.913 30.595 1.00 0.00 N ATOM 1576 CA GLU A 113 -38.830 8.651 30.359 1.00 0.00 C ATOM 1577 C GLU A 113 -39.868 8.307 31.428 1.00 0.00 C ATOM 1578 O GLU A 113 -40.569 9.188 31.924 1.00 0.00 O ATOM 1579 CB GLU A 113 -39.375 8.374 28.957 1.00 0.00 C ATOM 1580 CG GLU A 113 -39.268 6.888 28.609 1.00 0.00 C ATOM 1581 CD GLU A 113 -40.641 6.301 28.279 1.00 0.00 C ATOM 1582 OE1 GLU A 113 -41.518 6.244 29.154 1.00 0.00 O ATOM 1583 OE2 GLU A 113 -40.783 5.897 27.062 1.00 0.00 O ATOM 0 H GLU A 113 -37.673 7.175 31.295 1.00 0.00 H new ATOM 0 HA GLU A 113 -38.610 9.717 30.423 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -40.416 8.690 28.899 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -38.822 8.963 28.225 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -38.599 6.758 27.758 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -38.829 6.346 29.446 1.00 0.00 H new ATOM 1589 N SER A 114 -39.934 7.024 31.753 1.00 0.00 N ATOM 1590 CA SER A 114 -40.876 6.552 32.755 1.00 0.00 C ATOM 1591 C SER A 114 -42.306 6.878 32.322 1.00 0.00 C ATOM 1592 O SER A 114 -42.522 7.448 31.253 1.00 0.00 O ATOM 1593 CB SER A 114 -40.581 7.172 34.122 1.00 0.00 C ATOM 1594 OG SER A 114 -40.331 6.181 35.115 1.00 0.00 O ATOM 0 H SER A 114 -39.350 6.296 31.340 1.00 0.00 H new ATOM 0 HA SER A 114 -40.768 5.471 32.845 1.00 0.00 H new ATOM 0 HB2 SER A 114 -39.717 7.831 34.042 1.00 0.00 H new ATOM 0 HB3 SER A 114 -41.425 7.789 34.430 1.00 0.00 H new ATOM 0 HG SER A 114 -40.145 6.617 35.973 1.00 0.00 H new ATOM 1599 N LYS A 115 -43.248 6.501 33.175 1.00 0.00 N ATOM 1600 CA LYS A 115 -44.653 6.746 32.894 1.00 0.00 C ATOM 1601 C LYS A 115 -45.002 8.186 33.274 1.00 0.00 C ATOM 1602 O LYS A 115 -44.591 8.671 34.327 1.00 0.00 O ATOM 1603 CB LYS A 115 -45.528 5.698 33.585 1.00 0.00 C ATOM 1604 CG LYS A 115 -47.006 5.908 33.248 1.00 0.00 C ATOM 1605 CD LYS A 115 -47.870 4.805 33.861 1.00 0.00 C ATOM 1606 CE LYS A 115 -49.334 5.242 33.951 1.00 0.00 C ATOM 1607 NZ LYS A 115 -50.190 4.360 33.127 1.00 0.00 N ATOM 0 H LYS A 115 -43.066 6.028 34.060 1.00 0.00 H new ATOM 0 HA LYS A 115 -44.852 6.641 31.827 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -45.219 4.700 33.275 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -45.386 5.755 34.664 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -47.333 6.879 33.619 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -47.138 5.919 32.166 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -47.793 3.900 33.258 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -47.499 4.558 34.856 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -49.665 5.213 34.989 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -49.433 6.274 33.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -51.180 4.671 33.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -49.884 4.408 32.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -50.109 3.381 33.467 1.00 0.00 H new TER 1616 LYS A 115