USER MOD reduce.3.24.130724 H: found=0, std=0, add=825, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 825 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 16 HIS : no HE2:sc= -1.26 K(o=-1.4,f=-3.6!) USER MOD Set 1.2: A 99 THR OG1 : rot 180:sc= -0.157 USER MOD Set 2.1: A 57 THR OG1 : rot 104:sc= -0.791 USER MOD Set 2.2: A 84 THR OG1 : rot 180:sc= 0.292 USER MOD Set 3.1: A 37 GLN :FLIP amide:sc= 0.904 F(o=-0.48,f=0.9) USER MOD Set 3.2: A 87 SER OG : rot -70:sc= -0.0069 USER MOD Set 4.1: A 17 TYR OH : rot 2:sc= 1.21 USER MOD Set 4.2: A 29 HIS : no HD1:sc= 0.978 K(o=2.2,f=-1) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 141:sc= 0.00568 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0161) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -0.0475 K(o=-0.047,f=-7.3!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -1.54 K(o=-1.5,f=-2.3!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 HIS : no HD1:sc= -0.312 X(o=-0.31,f=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 35:sc= 0.522 USER MOD Single : A 40 LYS NZ :NH3+ -163:sc= 0.637 (180deg=0.496) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 ASN :FLIP amide:sc= -0.323 F(o=-1.2,f=-0.32) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 170:sc= -0.024 (180deg=-0.15) USER MOD Single : A 55 SER OG : rot 37:sc= 0.0943 USER MOD Single : A 58 GLN : amide:sc= -0.579 K(o=-0.58,f=-3.1!) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0.0148 USER MOD Single : A 65 SER OG : rot -88:sc= 0.698 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 158:sc= -1.09 (180deg=-2.09!) USER MOD Single : A 77 MET CE :methyl -172:sc=-0.00326 (180deg=-0.0654) USER MOD Single : A 88 LYS NZ :NH3+ -130:sc= 0.0356 (180deg=-0.341) USER MOD Single : A 89 ASN : amide:sc= -2! C(o=-2!,f=-2.9!) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 GLN : amide:sc= -1.16 X(o=-1.2,f=-0.95) USER MOD Single : A 95 ASN :FLIP amide:sc= -0.806 F(o=-3!,f=-0.81) USER MOD Single : A 102 TYR OH : rot 27:sc= -0.89 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 105 ASN : amide:sc= 0 X(o=0,f=-0.4) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 20.292 -29.410 1.548 1.00 0.00 N ATOM 2 CA MET A 1 18.815 -29.377 1.578 1.00 0.00 C ATOM 3 C MET A 1 18.349 -27.927 1.476 1.00 0.00 C ATOM 4 O MET A 1 18.844 -27.061 2.198 1.00 0.00 O ATOM 5 CB MET A 1 18.271 -30.041 2.865 1.00 0.00 C ATOM 6 CG MET A 1 16.743 -30.184 2.899 1.00 0.00 C ATOM 7 SD MET A 1 16.117 -31.071 1.452 1.00 0.00 S ATOM 8 CE MET A 1 14.347 -31.024 1.706 1.00 0.00 C ATOM 0 H1 MET A 1 20.637 -30.130 2.215 1.00 0.00 H new ATOM 0 H2 MET A 1 20.615 -29.645 0.588 1.00 0.00 H new ATOM 0 H3 MET A 1 20.666 -28.478 1.820 1.00 0.00 H new ATOM 0 HA MET A 1 18.426 -29.943 0.732 1.00 0.00 H new ATOM 0 HB2 MET A 1 18.720 -31.029 2.969 1.00 0.00 H new ATOM 0 HB3 MET A 1 18.589 -29.454 3.726 1.00 0.00 H new ATOM 0 HG2 MET A 1 16.448 -30.713 3.805 1.00 0.00 H new ATOM 0 HG3 MET A 1 16.287 -29.195 2.944 1.00 0.00 H new ATOM 0 HE1 MET A 1 13.848 -31.536 0.884 1.00 0.00 H new ATOM 0 HE2 MET A 1 14.101 -31.520 2.645 1.00 0.00 H new ATOM 0 HE3 MET A 1 14.012 -29.987 1.744 1.00 0.00 H new ATOM 20 N ILE A 2 17.406 -27.670 0.566 1.00 0.00 N ATOM 21 CA ILE A 2 16.899 -26.323 0.281 1.00 0.00 C ATOM 22 C ILE A 2 15.439 -26.213 0.744 1.00 0.00 C ATOM 23 O ILE A 2 14.669 -27.169 0.598 1.00 0.00 O ATOM 24 CB ILE A 2 17.016 -26.012 -1.265 1.00 0.00 C ATOM 25 CG1 ILE A 2 18.506 -26.077 -1.735 1.00 0.00 C ATOM 26 CG2 ILE A 2 16.383 -24.648 -1.630 1.00 0.00 C ATOM 27 CD1 ILE A 2 19.417 -25.008 -1.140 1.00 0.00 C ATOM 0 H ILE A 2 16.968 -28.397 0.000 1.00 0.00 H new ATOM 0 HA ILE A 2 17.497 -25.591 0.824 1.00 0.00 H new ATOM 0 HB ILE A 2 16.454 -26.782 -1.793 1.00 0.00 H new ATOM 0 HG12 ILE A 2 18.909 -27.058 -1.482 1.00 0.00 H new ATOM 0 HG13 ILE A 2 18.533 -25.992 -2.821 1.00 0.00 H new ATOM 0 HG21 ILE A 2 16.485 -24.474 -2.701 1.00 0.00 H new ATOM 0 HG22 ILE A 2 15.326 -24.654 -1.363 1.00 0.00 H new ATOM 0 HG23 ILE A 2 16.891 -23.853 -1.083 1.00 0.00 H new ATOM 0 HD11 ILE A 2 20.428 -25.136 -1.526 1.00 0.00 H new ATOM 0 HD12 ILE A 2 19.046 -24.020 -1.414 1.00 0.00 H new ATOM 0 HD13 ILE A 2 19.428 -25.103 -0.054 1.00 0.00 H new ATOM 39 N GLU A 3 15.075 -25.061 1.328 1.00 0.00 N ATOM 40 CA GLU A 3 13.675 -24.733 1.661 1.00 0.00 C ATOM 41 C GLU A 3 13.274 -23.429 0.954 1.00 0.00 C ATOM 42 O GLU A 3 14.145 -22.594 0.673 1.00 0.00 O ATOM 43 CB GLU A 3 13.470 -24.603 3.197 1.00 0.00 C ATOM 44 CG GLU A 3 14.242 -23.455 3.876 1.00 0.00 C ATOM 45 CD GLU A 3 13.856 -23.240 5.351 1.00 0.00 C ATOM 46 OE1 GLU A 3 13.755 -24.235 6.097 1.00 0.00 O ATOM 47 OE2 GLU A 3 13.633 -22.083 5.765 1.00 0.00 O ATOM 0 H GLU A 3 15.739 -24.330 1.583 1.00 0.00 H new ATOM 0 HA GLU A 3 13.038 -25.547 1.315 1.00 0.00 H new ATOM 0 HB2 GLU A 3 12.406 -24.468 3.394 1.00 0.00 H new ATOM 0 HB3 GLU A 3 13.764 -25.542 3.666 1.00 0.00 H new ATOM 0 HG2 GLU A 3 15.311 -23.661 3.815 1.00 0.00 H new ATOM 0 HG3 GLU A 3 14.063 -22.532 3.324 1.00 0.00 H new ATOM 54 N PRO A 4 11.955 -23.227 0.621 1.00 0.00 N ATOM 55 CA PRO A 4 11.482 -21.936 0.115 1.00 0.00 C ATOM 56 C PRO A 4 11.226 -20.967 1.296 1.00 0.00 C ATOM 57 O PRO A 4 10.433 -21.256 2.204 1.00 0.00 O ATOM 58 CB PRO A 4 10.185 -22.318 -0.634 1.00 0.00 C ATOM 59 CG PRO A 4 9.651 -23.522 0.089 1.00 0.00 C ATOM 60 CD PRO A 4 10.848 -24.226 0.702 1.00 0.00 C ATOM 0 HA PRO A 4 12.188 -21.415 -0.531 1.00 0.00 H new ATOM 0 HB2 PRO A 4 9.466 -21.499 -0.619 1.00 0.00 H new ATOM 0 HB3 PRO A 4 10.387 -22.545 -1.681 1.00 0.00 H new ATOM 0 HG2 PRO A 4 8.939 -23.227 0.859 1.00 0.00 H new ATOM 0 HG3 PRO A 4 9.122 -24.183 -0.598 1.00 0.00 H new ATOM 0 HD2 PRO A 4 10.651 -24.517 1.734 1.00 0.00 H new ATOM 0 HD3 PRO A 4 11.095 -25.136 0.156 1.00 0.00 H new ATOM 68 N ILE A 5 11.921 -19.829 1.274 1.00 0.00 N ATOM 69 CA ILE A 5 11.786 -18.765 2.285 1.00 0.00 C ATOM 70 C ILE A 5 11.103 -17.555 1.661 1.00 0.00 C ATOM 71 O ILE A 5 10.926 -17.514 0.444 1.00 0.00 O ATOM 72 CB ILE A 5 13.182 -18.364 2.890 1.00 0.00 C ATOM 73 CG1 ILE A 5 14.202 -18.006 1.765 1.00 0.00 C ATOM 74 CG2 ILE A 5 13.722 -19.494 3.779 1.00 0.00 C ATOM 75 CD1 ILE A 5 15.595 -17.627 2.232 1.00 0.00 C ATOM 0 H ILE A 5 12.603 -19.612 0.547 1.00 0.00 H new ATOM 0 HA ILE A 5 11.175 -19.142 3.105 1.00 0.00 H new ATOM 0 HB ILE A 5 13.044 -17.475 3.505 1.00 0.00 H new ATOM 0 HG12 ILE A 5 14.285 -18.859 1.091 1.00 0.00 H new ATOM 0 HG13 ILE A 5 13.797 -17.178 1.183 1.00 0.00 H new ATOM 0 HG21 ILE A 5 14.688 -19.203 4.191 1.00 0.00 H new ATOM 0 HG22 ILE A 5 13.022 -19.682 4.593 1.00 0.00 H new ATOM 0 HG23 ILE A 5 13.839 -20.400 3.185 1.00 0.00 H new ATOM 0 HD11 ILE A 5 16.219 -17.398 1.368 1.00 0.00 H new ATOM 0 HD12 ILE A 5 15.536 -16.752 2.879 1.00 0.00 H new ATOM 0 HD13 ILE A 5 16.032 -18.458 2.785 1.00 0.00 H new ATOM 87 N LYS A 6 10.708 -16.590 2.496 1.00 0.00 N ATOM 88 CA LYS A 6 10.020 -15.374 2.037 1.00 0.00 C ATOM 89 C LYS A 6 10.106 -14.263 3.089 1.00 0.00 C ATOM 90 O LYS A 6 10.081 -14.522 4.297 1.00 0.00 O ATOM 91 CB LYS A 6 8.538 -15.654 1.628 1.00 0.00 C ATOM 92 CG LYS A 6 7.500 -15.831 2.775 1.00 0.00 C ATOM 93 CD LYS A 6 7.754 -17.063 3.698 1.00 0.00 C ATOM 94 CE LYS A 6 7.790 -18.406 2.945 1.00 0.00 C ATOM 95 NZ LYS A 6 6.559 -18.641 2.161 1.00 0.00 N ATOM 0 H LYS A 6 10.854 -16.626 3.505 1.00 0.00 H new ATOM 0 HA LYS A 6 10.537 -15.032 1.140 1.00 0.00 H new ATOM 0 HB2 LYS A 6 8.203 -14.833 0.994 1.00 0.00 H new ATOM 0 HB3 LYS A 6 8.522 -16.556 1.017 1.00 0.00 H new ATOM 0 HG2 LYS A 6 7.498 -14.929 3.387 1.00 0.00 H new ATOM 0 HG3 LYS A 6 6.506 -15.921 2.337 1.00 0.00 H new ATOM 0 HD2 LYS A 6 8.700 -16.925 4.221 1.00 0.00 H new ATOM 0 HD3 LYS A 6 6.973 -17.104 4.457 1.00 0.00 H new ATOM 0 HE2 LYS A 6 8.652 -18.423 2.278 1.00 0.00 H new ATOM 0 HE3 LYS A 6 7.924 -19.218 3.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 6.607 -19.578 1.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 5.733 -18.600 2.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 6.470 -17.910 1.427 1.00 0.00 H new ATOM 109 N ARG A 7 10.286 -13.036 2.604 1.00 0.00 N ATOM 110 CA ARG A 7 10.178 -11.811 3.400 1.00 0.00 C ATOM 111 C ARG A 7 8.931 -11.068 2.875 1.00 0.00 C ATOM 112 O ARG A 7 8.736 -10.973 1.654 1.00 0.00 O ATOM 113 CB ARG A 7 11.490 -10.970 3.248 1.00 0.00 C ATOM 114 CG ARG A 7 11.839 -9.979 4.401 1.00 0.00 C ATOM 115 CD ARG A 7 10.820 -8.834 4.570 1.00 0.00 C ATOM 116 NE ARG A 7 11.325 -7.739 5.413 1.00 0.00 N ATOM 117 CZ ARG A 7 10.727 -6.552 5.576 1.00 0.00 C ATOM 118 NH1 ARG A 7 9.580 -6.277 4.961 1.00 0.00 N ATOM 119 NH2 ARG A 7 11.291 -5.641 6.345 1.00 0.00 N ATOM 0 H ARG A 7 10.516 -12.860 1.626 1.00 0.00 H new ATOM 0 HA ARG A 7 10.065 -12.009 4.466 1.00 0.00 H new ATOM 0 HB2 ARG A 7 12.324 -11.663 3.134 1.00 0.00 H new ATOM 0 HB3 ARG A 7 11.420 -10.400 2.322 1.00 0.00 H new ATOM 0 HG2 ARG A 7 11.905 -10.534 5.337 1.00 0.00 H new ATOM 0 HG3 ARG A 7 12.824 -9.551 4.214 1.00 0.00 H new ATOM 0 HD2 ARG A 7 10.558 -8.439 3.588 1.00 0.00 H new ATOM 0 HD3 ARG A 7 9.904 -9.231 5.008 1.00 0.00 H new ATOM 0 HE ARG A 7 12.200 -7.897 5.913 1.00 0.00 H new ATOM 0 HH11 ARG A 7 9.145 -6.974 4.357 1.00 0.00 H new ATOM 0 HH12 ARG A 7 9.135 -5.369 5.094 1.00 0.00 H new ATOM 0 HH21 ARG A 7 12.176 -5.843 6.810 1.00 0.00 H new ATOM 0 HH22 ARG A 7 10.842 -4.734 6.475 1.00 0.00 H new ATOM 133 N THR A 8 8.107 -10.544 3.791 1.00 0.00 N ATOM 134 CA THR A 8 6.812 -9.933 3.467 1.00 0.00 C ATOM 135 C THR A 8 6.854 -8.431 3.781 1.00 0.00 C ATOM 136 O THR A 8 6.915 -8.033 4.942 1.00 0.00 O ATOM 137 CB THR A 8 5.676 -10.649 4.273 1.00 0.00 C ATOM 138 OG1 THR A 8 5.687 -12.048 3.947 1.00 0.00 O ATOM 139 CG2 THR A 8 4.288 -10.062 3.981 1.00 0.00 C ATOM 0 H THR A 8 8.323 -10.532 4.788 1.00 0.00 H new ATOM 0 HA THR A 8 6.604 -10.052 2.404 1.00 0.00 H new ATOM 0 HB THR A 8 5.871 -10.496 5.334 1.00 0.00 H new ATOM 0 HG1 THR A 8 4.980 -12.506 4.448 1.00 0.00 H new ATOM 0 HG21 THR A 8 3.538 -10.594 4.565 1.00 0.00 H new ATOM 0 HG22 THR A 8 4.276 -9.006 4.250 1.00 0.00 H new ATOM 0 HG23 THR A 8 4.064 -10.168 2.920 1.00 0.00 H new ATOM 147 N GLN A 9 6.888 -7.608 2.727 1.00 0.00 N ATOM 148 CA GLN A 9 6.855 -6.145 2.846 1.00 0.00 C ATOM 149 C GLN A 9 5.448 -5.642 2.538 1.00 0.00 C ATOM 150 O GLN A 9 4.979 -5.773 1.408 1.00 0.00 O ATOM 151 CB GLN A 9 7.883 -5.516 1.878 1.00 0.00 C ATOM 152 CG GLN A 9 8.085 -3.988 1.975 1.00 0.00 C ATOM 153 CD GLN A 9 8.617 -3.503 3.342 1.00 0.00 C ATOM 154 OE1 GLN A 9 8.181 -3.928 4.399 1.00 0.00 O ATOM 155 NE2 GLN A 9 9.625 -2.678 3.327 1.00 0.00 N ATOM 0 H GLN A 9 6.939 -7.939 1.763 1.00 0.00 H new ATOM 0 HA GLN A 9 7.118 -5.854 3.863 1.00 0.00 H new ATOM 0 HB2 GLN A 9 8.846 -5.998 2.045 1.00 0.00 H new ATOM 0 HB3 GLN A 9 7.580 -5.755 0.858 1.00 0.00 H new ATOM 0 HG2 GLN A 9 8.780 -3.675 1.196 1.00 0.00 H new ATOM 0 HG3 GLN A 9 7.135 -3.494 1.772 1.00 0.00 H new ATOM 0 HE21 GLN A 9 9.984 -2.327 2.439 1.00 0.00 H new ATOM 0 HE22 GLN A 9 10.056 -2.383 4.203 1.00 0.00 H new ATOM 164 N VAL A 10 4.763 -5.091 3.550 1.00 0.00 N ATOM 165 CA VAL A 10 3.414 -4.547 3.386 1.00 0.00 C ATOM 166 C VAL A 10 3.462 -3.023 3.164 1.00 0.00 C ATOM 167 O VAL A 10 4.372 -2.339 3.647 1.00 0.00 O ATOM 168 CB VAL A 10 2.446 -4.928 4.572 1.00 0.00 C ATOM 169 CG1 VAL A 10 2.363 -6.467 4.736 1.00 0.00 C ATOM 170 CG2 VAL A 10 2.837 -4.232 5.899 1.00 0.00 C ATOM 0 H VAL A 10 5.129 -5.012 4.499 1.00 0.00 H new ATOM 0 HA VAL A 10 2.994 -5.013 2.494 1.00 0.00 H new ATOM 0 HB VAL A 10 1.453 -4.559 4.314 1.00 0.00 H new ATOM 0 HG11 VAL A 10 1.691 -6.709 5.559 1.00 0.00 H new ATOM 0 HG12 VAL A 10 1.985 -6.911 3.815 1.00 0.00 H new ATOM 0 HG13 VAL A 10 3.355 -6.864 4.949 1.00 0.00 H new ATOM 0 HG21 VAL A 10 2.140 -4.527 6.684 1.00 0.00 H new ATOM 0 HG22 VAL A 10 3.847 -4.528 6.181 1.00 0.00 H new ATOM 0 HG23 VAL A 10 2.799 -3.151 5.768 1.00 0.00 H new ATOM 180 N VAL A 11 2.514 -2.517 2.350 1.00 0.00 N ATOM 181 CA VAL A 11 2.303 -1.077 2.129 1.00 0.00 C ATOM 182 C VAL A 11 1.039 -0.673 2.881 1.00 0.00 C ATOM 183 O VAL A 11 -0.066 -0.965 2.427 1.00 0.00 O ATOM 184 CB VAL A 11 2.140 -0.763 0.594 1.00 0.00 C ATOM 185 CG1 VAL A 11 1.712 0.702 0.337 1.00 0.00 C ATOM 186 CG2 VAL A 11 3.431 -1.111 -0.166 1.00 0.00 C ATOM 0 H VAL A 11 1.868 -3.105 1.823 1.00 0.00 H new ATOM 0 HA VAL A 11 3.164 -0.516 2.491 1.00 0.00 H new ATOM 0 HB VAL A 11 1.335 -1.392 0.214 1.00 0.00 H new ATOM 0 HG11 VAL A 11 1.613 0.869 -0.736 1.00 0.00 H new ATOM 0 HG12 VAL A 11 0.756 0.892 0.824 1.00 0.00 H new ATOM 0 HG13 VAL A 11 2.466 1.378 0.741 1.00 0.00 H new ATOM 0 HG21 VAL A 11 3.301 -0.888 -1.225 1.00 0.00 H new ATOM 0 HG22 VAL A 11 4.257 -0.521 0.231 1.00 0.00 H new ATOM 0 HG23 VAL A 11 3.651 -2.171 -0.043 1.00 0.00 H new ATOM 196 N THR A 12 1.196 -0.003 4.017 1.00 0.00 N ATOM 197 CA THR A 12 0.081 0.278 4.917 1.00 0.00 C ATOM 198 C THR A 12 -0.390 1.728 4.736 1.00 0.00 C ATOM 199 O THR A 12 0.268 2.677 5.191 1.00 0.00 O ATOM 200 CB THR A 12 0.509 -0.010 6.388 1.00 0.00 C ATOM 201 OG1 THR A 12 1.096 -1.315 6.460 1.00 0.00 O ATOM 202 CG2 THR A 12 -0.661 0.060 7.371 1.00 0.00 C ATOM 0 H THR A 12 2.093 0.359 4.340 1.00 0.00 H new ATOM 0 HA THR A 12 -0.759 -0.374 4.676 1.00 0.00 H new ATOM 0 HB THR A 12 1.224 0.762 6.673 1.00 0.00 H new ATOM 0 HG1 THR A 12 1.369 -1.501 7.383 1.00 0.00 H new ATOM 0 HG21 THR A 12 -0.302 -0.149 8.379 1.00 0.00 H new ATOM 0 HG22 THR A 12 -1.101 1.057 7.342 1.00 0.00 H new ATOM 0 HG23 THR A 12 -1.414 -0.678 7.093 1.00 0.00 H new ATOM 210 N GLN A 13 -1.518 1.881 4.030 1.00 0.00 N ATOM 211 CA GLN A 13 -2.129 3.182 3.768 1.00 0.00 C ATOM 212 C GLN A 13 -3.202 3.472 4.809 1.00 0.00 C ATOM 213 O GLN A 13 -4.222 2.791 4.860 1.00 0.00 O ATOM 214 CB GLN A 13 -2.716 3.230 2.339 1.00 0.00 C ATOM 215 CG GLN A 13 -1.697 2.934 1.236 1.00 0.00 C ATOM 216 CD GLN A 13 -0.516 3.890 1.229 1.00 0.00 C ATOM 217 OE1 GLN A 13 0.489 3.650 1.885 1.00 0.00 O ATOM 218 NE2 GLN A 13 -0.630 4.980 0.488 1.00 0.00 N ATOM 0 H GLN A 13 -2.032 1.099 3.624 1.00 0.00 H new ATOM 0 HA GLN A 13 -1.362 3.953 3.839 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -3.532 2.510 2.268 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -3.146 4.217 2.167 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -1.329 1.915 1.357 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -2.197 2.980 0.269 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -1.483 5.147 -0.046 1.00 0.00 H new ATOM 0 HE22 GLN A 13 0.135 5.653 0.450 1.00 0.00 H new ATOM 227 N THR A 14 -2.955 4.478 5.644 1.00 0.00 N ATOM 228 CA THR A 14 -3.898 4.906 6.674 1.00 0.00 C ATOM 229 C THR A 14 -4.791 6.034 6.112 1.00 0.00 C ATOM 230 O THR A 14 -4.341 7.177 5.954 1.00 0.00 O ATOM 231 CB THR A 14 -3.096 5.374 7.931 1.00 0.00 C ATOM 232 OG1 THR A 14 -2.246 4.306 8.393 1.00 0.00 O ATOM 233 CG2 THR A 14 -4.006 5.823 9.083 1.00 0.00 C ATOM 0 H THR A 14 -2.092 5.021 5.625 1.00 0.00 H new ATOM 0 HA THR A 14 -4.547 4.082 6.970 1.00 0.00 H new ATOM 0 HB THR A 14 -2.502 6.235 7.624 1.00 0.00 H new ATOM 0 HG1 THR A 14 -1.744 4.605 9.180 1.00 0.00 H new ATOM 0 HG21 THR A 14 -3.394 6.137 9.929 1.00 0.00 H new ATOM 0 HG22 THR A 14 -4.625 6.657 8.754 1.00 0.00 H new ATOM 0 HG23 THR A 14 -4.646 4.994 9.386 1.00 0.00 H new ATOM 241 N ILE A 15 -6.051 5.696 5.782 1.00 0.00 N ATOM 242 CA ILE A 15 -7.008 6.645 5.192 1.00 0.00 C ATOM 243 C ILE A 15 -7.844 7.299 6.285 1.00 0.00 C ATOM 244 O ILE A 15 -8.400 6.624 7.171 1.00 0.00 O ATOM 245 CB ILE A 15 -7.952 5.989 4.093 1.00 0.00 C ATOM 246 CG1 ILE A 15 -7.180 5.710 2.768 1.00 0.00 C ATOM 247 CG2 ILE A 15 -9.202 6.858 3.787 1.00 0.00 C ATOM 248 CD1 ILE A 15 -6.099 4.650 2.829 1.00 0.00 C ATOM 0 H ILE A 15 -6.432 4.759 5.917 1.00 0.00 H new ATOM 0 HA ILE A 15 -6.416 7.402 4.677 1.00 0.00 H new ATOM 0 HB ILE A 15 -8.290 5.044 4.517 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -7.903 5.417 2.006 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -6.725 6.643 2.434 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -9.812 6.364 3.031 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -9.787 6.987 4.698 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -8.885 7.833 3.418 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -5.635 4.547 1.848 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -5.344 4.942 3.559 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -6.540 3.698 3.124 1.00 0.00 H new ATOM 260 N HIS A 16 -7.920 8.625 6.187 1.00 0.00 N ATOM 261 CA HIS A 16 -8.755 9.455 7.039 1.00 0.00 C ATOM 262 C HIS A 16 -9.499 10.452 6.150 1.00 0.00 C ATOM 263 O HIS A 16 -8.896 11.250 5.413 1.00 0.00 O ATOM 264 CB HIS A 16 -7.934 10.135 8.168 1.00 0.00 C ATOM 265 CG HIS A 16 -6.544 10.615 7.811 1.00 0.00 C ATOM 266 ND1 HIS A 16 -6.195 11.942 7.779 1.00 0.00 N ATOM 267 CD2 HIS A 16 -5.397 9.927 7.567 1.00 0.00 C ATOM 268 CE1 HIS A 16 -4.905 12.047 7.536 1.00 0.00 C ATOM 269 NE2 HIS A 16 -4.396 10.845 7.403 1.00 0.00 N ATOM 0 H HIS A 16 -7.390 9.159 5.498 1.00 0.00 H new ATOM 0 HA HIS A 16 -9.487 8.839 7.562 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -8.504 10.989 8.534 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -7.847 9.431 8.995 1.00 0.00 H new ATOM 0 HD1 HIS A 16 -6.834 12.724 7.921 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -5.295 8.853 7.513 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -4.355 12.973 7.459 1.00 0.00 H new ATOM 278 N TYR A 17 -10.828 10.337 6.195 1.00 0.00 N ATOM 279 CA TYR A 17 -11.760 11.166 5.447 1.00 0.00 C ATOM 280 C TYR A 17 -11.895 12.510 6.161 1.00 0.00 C ATOM 281 O TYR A 17 -12.106 12.553 7.374 1.00 0.00 O ATOM 282 CB TYR A 17 -13.145 10.459 5.372 1.00 0.00 C ATOM 283 CG TYR A 17 -13.100 9.022 4.805 1.00 0.00 C ATOM 284 CD1 TYR A 17 -12.833 7.924 5.629 1.00 0.00 C ATOM 285 CD2 TYR A 17 -13.276 8.770 3.443 1.00 0.00 C ATOM 286 CE1 TYR A 17 -12.744 6.653 5.111 1.00 0.00 C ATOM 287 CE2 TYR A 17 -13.195 7.496 2.931 1.00 0.00 C ATOM 288 CZ TYR A 17 -12.921 6.448 3.761 1.00 0.00 C ATOM 289 OH TYR A 17 -12.826 5.187 3.240 1.00 0.00 O ATOM 0 H TYR A 17 -11.295 9.639 6.774 1.00 0.00 H new ATOM 0 HA TYR A 17 -11.394 11.323 4.433 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -13.578 10.428 6.372 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -13.812 11.059 4.754 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -12.694 8.077 6.689 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -13.480 9.595 2.776 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -12.536 5.817 5.762 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -13.348 7.326 1.876 1.00 0.00 H new ATOM 0 HH TYR A 17 -12.659 4.546 3.963 1.00 0.00 H new ATOM 299 N ARG A 18 -11.760 13.595 5.404 1.00 0.00 N ATOM 300 CA ARG A 18 -11.944 14.965 5.896 1.00 0.00 C ATOM 301 C ARG A 18 -12.643 15.793 4.829 1.00 0.00 C ATOM 302 O ARG A 18 -12.661 15.418 3.674 1.00 0.00 O ATOM 303 CB ARG A 18 -10.607 15.659 6.270 1.00 0.00 C ATOM 304 CG ARG A 18 -9.831 15.021 7.432 1.00 0.00 C ATOM 305 CD ARG A 18 -8.880 16.013 8.110 1.00 0.00 C ATOM 306 NE ARG A 18 -7.853 16.550 7.187 1.00 0.00 N ATOM 307 CZ ARG A 18 -7.198 17.713 7.354 1.00 0.00 C ATOM 308 NH1 ARG A 18 -7.464 18.513 8.391 1.00 0.00 N ATOM 309 NH2 ARG A 18 -6.260 18.059 6.495 1.00 0.00 N ATOM 0 H ARG A 18 -11.516 13.551 4.415 1.00 0.00 H new ATOM 0 HA ARG A 18 -12.545 14.899 6.803 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -9.965 15.669 5.389 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -10.816 16.698 6.523 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -10.536 14.636 8.169 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -9.260 14.170 7.061 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -9.459 16.840 8.522 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -8.386 15.521 8.948 1.00 0.00 H new ATOM 0 HE ARG A 18 -7.625 15.995 6.362 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -8.174 18.245 9.073 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -6.957 19.391 8.501 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -6.036 17.447 5.711 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -5.759 18.939 6.614 1.00 0.00 H new ATOM 323 N TYR A 19 -13.210 16.928 5.235 1.00 0.00 N ATOM 324 CA TYR A 19 -13.774 17.911 4.321 1.00 0.00 C ATOM 325 C TYR A 19 -12.688 18.908 3.923 1.00 0.00 C ATOM 326 O TYR A 19 -11.567 18.870 4.448 1.00 0.00 O ATOM 327 CB TYR A 19 -14.950 18.642 4.997 1.00 0.00 C ATOM 328 CG TYR A 19 -16.084 17.709 5.446 1.00 0.00 C ATOM 329 CD1 TYR A 19 -17.113 17.346 4.579 1.00 0.00 C ATOM 330 CD2 TYR A 19 -16.120 17.196 6.743 1.00 0.00 C ATOM 331 CE1 TYR A 19 -18.133 16.514 4.991 1.00 0.00 C ATOM 332 CE2 TYR A 19 -17.131 16.364 7.161 1.00 0.00 C ATOM 333 CZ TYR A 19 -18.140 16.026 6.282 1.00 0.00 C ATOM 334 OH TYR A 19 -19.161 15.194 6.693 1.00 0.00 O ATOM 0 H TYR A 19 -13.290 17.190 6.217 1.00 0.00 H new ATOM 0 HA TYR A 19 -14.146 17.410 3.427 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -14.577 19.188 5.863 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -15.353 19.381 4.304 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -17.112 17.723 3.567 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -15.334 17.459 7.436 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -18.923 16.245 4.306 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -17.136 15.978 8.170 1.00 0.00 H new ATOM 0 HH TYR A 19 -19.018 14.938 7.628 1.00 0.00 H new ATOM 344 N GLU A 20 -13.038 19.810 3.005 1.00 0.00 N ATOM 345 CA GLU A 20 -12.157 20.902 2.566 1.00 0.00 C ATOM 346 C GLU A 20 -11.815 21.871 3.718 1.00 0.00 C ATOM 347 O GLU A 20 -10.775 22.530 3.682 1.00 0.00 O ATOM 348 CB GLU A 20 -12.818 21.663 1.405 1.00 0.00 C ATOM 349 CG GLU A 20 -14.222 22.222 1.737 1.00 0.00 C ATOM 350 CD GLU A 20 -14.581 23.444 0.901 1.00 0.00 C ATOM 351 OE1 GLU A 20 -15.134 23.302 -0.201 1.00 0.00 O ATOM 352 OE2 GLU A 20 -14.263 24.563 1.335 1.00 0.00 O ATOM 0 H GLU A 20 -13.946 19.807 2.540 1.00 0.00 H new ATOM 0 HA GLU A 20 -11.219 20.461 2.229 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -12.170 22.488 1.110 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -12.897 20.997 0.546 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -14.967 21.443 1.573 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -14.263 22.485 2.794 1.00 0.00 H new ATOM 359 N ASP A 21 -12.702 21.932 4.731 1.00 0.00 N ATOM 360 CA ASP A 21 -12.529 22.770 5.934 1.00 0.00 C ATOM 361 C ASP A 21 -11.442 22.194 6.859 1.00 0.00 C ATOM 362 O ASP A 21 -10.874 22.923 7.669 1.00 0.00 O ATOM 363 CB ASP A 21 -13.867 22.845 6.714 1.00 0.00 C ATOM 364 CG ASP A 21 -15.031 23.361 5.865 1.00 0.00 C ATOM 365 OD1 ASP A 21 -15.575 22.566 5.065 1.00 0.00 O ATOM 366 OD2 ASP A 21 -15.379 24.564 5.960 1.00 0.00 O ATOM 0 H ASP A 21 -13.569 21.394 4.737 1.00 0.00 H new ATOM 0 HA ASP A 21 -12.224 23.766 5.612 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -14.114 21.854 7.094 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -13.740 23.496 7.579 1.00 0.00 H new ATOM 371 N GLY A 22 -11.136 20.885 6.692 1.00 0.00 N ATOM 372 CA GLY A 22 -10.224 20.160 7.587 1.00 0.00 C ATOM 373 C GLY A 22 -10.965 19.386 8.685 1.00 0.00 C ATOM 374 O GLY A 22 -10.333 18.771 9.557 1.00 0.00 O ATOM 0 H GLY A 22 -11.515 20.313 5.937 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -9.622 19.465 7.001 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -9.535 20.868 8.048 1.00 0.00 H new ATOM 378 N ALA A 23 -12.312 19.421 8.634 1.00 0.00 N ATOM 379 CA ALA A 23 -13.185 18.679 9.572 1.00 0.00 C ATOM 380 C ALA A 23 -13.134 17.180 9.244 1.00 0.00 C ATOM 381 O ALA A 23 -13.320 16.815 8.094 1.00 0.00 O ATOM 382 CB ALA A 23 -14.627 19.211 9.477 1.00 0.00 C ATOM 0 H ALA A 23 -12.827 19.964 7.942 1.00 0.00 H new ATOM 0 HA ALA A 23 -12.833 18.825 10.593 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -15.264 18.661 10.170 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -14.642 20.270 9.734 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -14.997 19.079 8.460 1.00 0.00 H new ATOM 388 N VAL A 24 -12.901 16.319 10.244 1.00 0.00 N ATOM 389 CA VAL A 24 -12.635 14.890 9.999 1.00 0.00 C ATOM 390 C VAL A 24 -13.962 14.132 9.816 1.00 0.00 C ATOM 391 O VAL A 24 -14.682 13.902 10.784 1.00 0.00 O ATOM 392 CB VAL A 24 -11.773 14.245 11.154 1.00 0.00 C ATOM 393 CG1 VAL A 24 -11.381 12.787 10.814 1.00 0.00 C ATOM 394 CG2 VAL A 24 -10.519 15.105 11.467 1.00 0.00 C ATOM 0 H VAL A 24 -12.891 16.584 11.229 1.00 0.00 H new ATOM 0 HA VAL A 24 -12.050 14.809 9.083 1.00 0.00 H new ATOM 0 HB VAL A 24 -12.390 14.221 12.052 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -10.788 12.370 11.628 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -12.283 12.190 10.679 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -10.796 12.773 9.895 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -9.946 14.635 12.266 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -9.899 15.183 10.574 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -10.830 16.101 11.781 1.00 0.00 H new ATOM 404 N ALA A 25 -14.286 13.797 8.552 1.00 0.00 N ATOM 405 CA ALA A 25 -15.497 13.023 8.201 1.00 0.00 C ATOM 406 C ALA A 25 -15.472 11.623 8.857 1.00 0.00 C ATOM 407 O ALA A 25 -16.500 11.142 9.330 1.00 0.00 O ATOM 408 CB ALA A 25 -15.635 12.917 6.667 1.00 0.00 C ATOM 0 H ALA A 25 -13.718 14.054 7.745 1.00 0.00 H new ATOM 0 HA ALA A 25 -16.368 13.550 8.589 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -16.530 12.345 6.421 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -15.714 13.916 6.239 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -14.759 12.414 6.257 1.00 0.00 H new ATOM 414 N HIS A 26 -14.280 11.000 8.879 1.00 0.00 N ATOM 415 CA HIS A 26 -14.041 9.706 9.561 1.00 0.00 C ATOM 416 C HIS A 26 -12.524 9.442 9.619 1.00 0.00 C ATOM 417 O HIS A 26 -11.803 9.820 8.712 1.00 0.00 O ATOM 418 CB HIS A 26 -14.777 8.540 8.835 1.00 0.00 C ATOM 419 CG HIS A 26 -15.091 7.332 9.694 1.00 0.00 C ATOM 420 ND1 HIS A 26 -15.816 6.260 9.228 1.00 0.00 N ATOM 421 CD2 HIS A 26 -14.806 7.048 10.990 1.00 0.00 C ATOM 422 CE1 HIS A 26 -15.964 5.375 10.198 1.00 0.00 C ATOM 423 NE2 HIS A 26 -15.357 5.827 11.278 1.00 0.00 N ATOM 0 H HIS A 26 -13.449 11.378 8.424 1.00 0.00 H new ATOM 0 HA HIS A 26 -14.441 9.759 10.574 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -15.710 8.923 8.423 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -14.166 8.216 7.993 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -14.246 7.672 11.671 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -16.494 4.437 10.119 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -15.306 5.348 12.177 1.00 0.00 H new ATOM 432 N ASP A 27 -12.052 8.802 10.696 1.00 0.00 N ATOM 433 CA ASP A 27 -10.618 8.487 10.889 1.00 0.00 C ATOM 434 C ASP A 27 -10.479 7.065 11.436 1.00 0.00 C ATOM 435 O ASP A 27 -10.841 6.842 12.600 1.00 0.00 O ATOM 436 CB ASP A 27 -9.984 9.504 11.878 1.00 0.00 C ATOM 437 CG ASP A 27 -8.523 9.198 12.256 1.00 0.00 C ATOM 438 OD1 ASP A 27 -7.611 9.579 11.492 1.00 0.00 O ATOM 439 OD2 ASP A 27 -8.275 8.569 13.313 1.00 0.00 O ATOM 0 H ASP A 27 -12.647 8.485 11.461 1.00 0.00 H new ATOM 0 HA ASP A 27 -10.098 8.556 9.933 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -10.031 10.499 11.436 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -10.584 9.530 12.788 1.00 0.00 H new ATOM 444 N ASP A 28 -9.955 6.130 10.594 1.00 0.00 N ATOM 445 CA ASP A 28 -9.771 4.705 10.974 1.00 0.00 C ATOM 446 C ASP A 28 -9.287 3.841 9.799 1.00 0.00 C ATOM 447 O ASP A 28 -8.629 2.832 10.029 1.00 0.00 O ATOM 448 CB ASP A 28 -11.096 4.067 11.509 1.00 0.00 C ATOM 449 CG ASP A 28 -12.179 3.916 10.424 1.00 0.00 C ATOM 450 OD1 ASP A 28 -12.687 4.946 9.934 1.00 0.00 O ATOM 451 OD2 ASP A 28 -12.518 2.774 10.044 1.00 0.00 O ATOM 0 H ASP A 28 -9.652 6.343 9.643 1.00 0.00 H new ATOM 0 HA ASP A 28 -9.014 4.718 11.758 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -10.875 3.087 11.931 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -11.486 4.682 12.320 1.00 0.00 H new ATOM 456 N HIS A 29 -9.627 4.252 8.557 1.00 0.00 N ATOM 457 CA HIS A 29 -9.725 3.321 7.408 1.00 0.00 C ATOM 458 C HIS A 29 -8.340 2.909 6.865 1.00 0.00 C ATOM 459 O HIS A 29 -7.886 3.421 5.848 1.00 0.00 O ATOM 460 CB HIS A 29 -10.604 3.960 6.293 1.00 0.00 C ATOM 461 CG HIS A 29 -11.273 2.974 5.354 1.00 0.00 C ATOM 462 ND1 HIS A 29 -12.609 3.051 5.024 1.00 0.00 N ATOM 463 CD2 HIS A 29 -10.798 1.893 4.694 1.00 0.00 C ATOM 464 CE1 HIS A 29 -12.918 2.074 4.207 1.00 0.00 C ATOM 465 NE2 HIS A 29 -11.844 1.353 3.989 1.00 0.00 N ATOM 0 H HIS A 29 -9.838 5.222 8.324 1.00 0.00 H new ATOM 0 HA HIS A 29 -10.199 2.403 7.756 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -11.375 4.569 6.765 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -9.982 4.634 5.704 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -9.783 1.523 4.718 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -13.895 1.893 3.783 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -11.795 0.527 3.393 1.00 0.00 H new ATOM 474 N VAL A 30 -7.681 1.974 7.552 1.00 0.00 N ATOM 475 CA VAL A 30 -6.349 1.501 7.163 1.00 0.00 C ATOM 476 C VAL A 30 -6.480 0.267 6.254 1.00 0.00 C ATOM 477 O VAL A 30 -7.215 -0.678 6.560 1.00 0.00 O ATOM 478 CB VAL A 30 -5.460 1.164 8.419 1.00 0.00 C ATOM 479 CG1 VAL A 30 -4.040 0.735 7.993 1.00 0.00 C ATOM 480 CG2 VAL A 30 -5.406 2.361 9.401 1.00 0.00 C ATOM 0 H VAL A 30 -8.052 1.525 8.389 1.00 0.00 H new ATOM 0 HA VAL A 30 -5.852 2.303 6.617 1.00 0.00 H new ATOM 0 HB VAL A 30 -5.922 0.325 8.939 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -3.447 0.508 8.879 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.102 -0.151 7.361 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.567 1.545 7.437 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -4.786 2.100 10.259 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.980 3.228 8.895 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -6.414 2.598 9.741 1.00 0.00 H new ATOM 490 N VAL A 31 -5.805 0.332 5.105 1.00 0.00 N ATOM 491 CA VAL A 31 -5.619 -0.790 4.182 1.00 0.00 C ATOM 492 C VAL A 31 -4.102 -1.088 4.109 1.00 0.00 C ATOM 493 O VAL A 31 -3.289 -0.274 4.568 1.00 0.00 O ATOM 494 CB VAL A 31 -6.240 -0.439 2.774 1.00 0.00 C ATOM 495 CG1 VAL A 31 -5.448 0.676 2.049 1.00 0.00 C ATOM 496 CG2 VAL A 31 -6.429 -1.692 1.889 1.00 0.00 C ATOM 0 H VAL A 31 -5.360 1.191 4.781 1.00 0.00 H new ATOM 0 HA VAL A 31 -6.136 -1.685 4.529 1.00 0.00 H new ATOM 0 HB VAL A 31 -7.237 -0.041 2.964 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -5.912 0.884 1.085 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.454 1.581 2.657 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -4.420 0.350 1.894 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -6.859 -1.399 0.931 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -5.463 -2.169 1.723 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -7.098 -2.392 2.388 1.00 0.00 H new ATOM 506 N SER A 32 -3.719 -2.247 3.554 1.00 0.00 N ATOM 507 CA SER A 32 -2.331 -2.733 3.563 1.00 0.00 C ATOM 508 C SER A 32 -2.120 -3.721 2.413 1.00 0.00 C ATOM 509 O SER A 32 -3.010 -4.520 2.112 1.00 0.00 O ATOM 510 CB SER A 32 -2.007 -3.386 4.917 1.00 0.00 C ATOM 511 OG SER A 32 -2.956 -4.397 5.235 1.00 0.00 O ATOM 0 H SER A 32 -4.368 -2.878 3.083 1.00 0.00 H new ATOM 0 HA SER A 32 -1.653 -1.891 3.423 1.00 0.00 H new ATOM 0 HB2 SER A 32 -1.007 -3.818 4.887 1.00 0.00 H new ATOM 0 HB3 SER A 32 -2.003 -2.627 5.699 1.00 0.00 H new ATOM 0 HG SER A 32 -2.728 -4.799 6.099 1.00 0.00 H new ATOM 517 N LEU A 33 -0.944 -3.666 1.770 1.00 0.00 N ATOM 518 CA LEU A 33 -0.665 -4.455 0.558 1.00 0.00 C ATOM 519 C LEU A 33 0.551 -5.366 0.754 1.00 0.00 C ATOM 520 O LEU A 33 1.647 -4.889 0.969 1.00 0.00 O ATOM 521 CB LEU A 33 -0.413 -3.517 -0.628 1.00 0.00 C ATOM 522 CG LEU A 33 -0.777 -4.096 -2.013 1.00 0.00 C ATOM 523 CD1 LEU A 33 -2.222 -4.604 -2.030 1.00 0.00 C ATOM 524 CD2 LEU A 33 -0.563 -3.057 -3.114 1.00 0.00 C ATOM 0 H LEU A 33 -0.165 -3.080 2.071 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.535 -5.081 0.358 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.983 -2.601 -0.474 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.641 -3.239 -0.634 1.00 0.00 H new ATOM 0 HG LEU A 33 -0.114 -4.940 -2.206 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.454 -5.007 -3.016 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -2.341 -5.387 -1.281 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.900 -3.780 -1.806 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.826 -3.490 -4.079 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.193 -2.188 -2.922 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.483 -2.751 -3.127 1.00 0.00 H new ATOM 536 N ILE A 34 0.357 -6.659 0.551 1.00 0.00 N ATOM 537 CA ILE A 34 1.351 -7.696 0.876 1.00 0.00 C ATOM 538 C ILE A 34 2.233 -7.972 -0.355 1.00 0.00 C ATOM 539 O ILE A 34 1.718 -8.312 -1.416 1.00 0.00 O ATOM 540 CB ILE A 34 0.653 -9.033 1.374 1.00 0.00 C ATOM 541 CG1 ILE A 34 0.002 -8.860 2.801 1.00 0.00 C ATOM 542 CG2 ILE A 34 1.643 -10.237 1.377 1.00 0.00 C ATOM 543 CD1 ILE A 34 -1.234 -7.965 2.883 1.00 0.00 C ATOM 0 H ILE A 34 -0.503 -7.034 0.151 1.00 0.00 H new ATOM 0 HA ILE A 34 1.975 -7.330 1.691 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.143 -9.248 0.661 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -0.267 -9.848 3.175 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.759 -8.459 3.475 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.126 -11.132 1.724 1.00 0.00 H new ATOM 0 HG22 ILE A 34 2.017 -10.403 0.367 1.00 0.00 H new ATOM 0 HG23 ILE A 34 2.478 -10.019 2.042 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.587 -7.926 3.913 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -0.978 -6.959 2.549 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.019 -8.370 2.245 1.00 0.00 H new ATOM 555 N PHE A 35 3.555 -7.764 -0.209 1.00 0.00 N ATOM 556 CA PHE A 35 4.566 -8.115 -1.231 1.00 0.00 C ATOM 557 C PHE A 35 5.484 -9.191 -0.677 1.00 0.00 C ATOM 558 O PHE A 35 6.282 -8.940 0.230 1.00 0.00 O ATOM 559 CB PHE A 35 5.384 -6.870 -1.635 1.00 0.00 C ATOM 560 CG PHE A 35 4.541 -5.788 -2.287 1.00 0.00 C ATOM 561 CD1 PHE A 35 3.833 -4.875 -1.514 1.00 0.00 C ATOM 562 CD2 PHE A 35 4.442 -5.699 -3.669 1.00 0.00 C ATOM 563 CE1 PHE A 35 3.065 -3.908 -2.099 1.00 0.00 C ATOM 564 CE2 PHE A 35 3.670 -4.724 -4.253 1.00 0.00 C ATOM 565 CZ PHE A 35 2.982 -3.828 -3.467 1.00 0.00 C ATOM 0 H PHE A 35 3.958 -7.344 0.629 1.00 0.00 H new ATOM 0 HA PHE A 35 4.060 -8.491 -2.120 1.00 0.00 H new ATOM 0 HB2 PHE A 35 5.870 -6.459 -0.750 1.00 0.00 H new ATOM 0 HB3 PHE A 35 6.175 -7.170 -2.323 1.00 0.00 H new ATOM 0 HD1 PHE A 35 3.891 -4.931 -0.437 1.00 0.00 H new ATOM 0 HD2 PHE A 35 4.976 -6.402 -4.290 1.00 0.00 H new ATOM 0 HE1 PHE A 35 2.522 -3.205 -1.484 1.00 0.00 H new ATOM 0 HE2 PHE A 35 3.603 -4.661 -5.329 1.00 0.00 H new ATOM 0 HZ PHE A 35 2.376 -3.061 -3.927 1.00 0.00 H new ATOM 575 N THR A 36 5.361 -10.394 -1.223 1.00 0.00 N ATOM 576 CA THR A 36 6.084 -11.562 -0.744 1.00 0.00 C ATOM 577 C THR A 36 7.254 -11.870 -1.690 1.00 0.00 C ATOM 578 O THR A 36 7.059 -12.393 -2.797 1.00 0.00 O ATOM 579 CB THR A 36 5.105 -12.774 -0.627 1.00 0.00 C ATOM 580 OG1 THR A 36 3.919 -12.364 0.068 1.00 0.00 O ATOM 581 CG2 THR A 36 5.731 -13.948 0.121 1.00 0.00 C ATOM 0 H THR A 36 4.751 -10.587 -2.017 1.00 0.00 H new ATOM 0 HA THR A 36 6.495 -11.365 0.246 1.00 0.00 H new ATOM 0 HB THR A 36 4.869 -13.103 -1.639 1.00 0.00 H new ATOM 0 HG1 THR A 36 3.303 -13.123 0.140 1.00 0.00 H new ATOM 0 HG21 THR A 36 5.014 -14.767 0.178 1.00 0.00 H new ATOM 0 HG22 THR A 36 6.623 -14.283 -0.408 1.00 0.00 H new ATOM 0 HG23 THR A 36 6.003 -13.634 1.129 1.00 0.00 H new ATOM 589 N GLN A 37 8.461 -11.484 -1.260 1.00 0.00 N ATOM 590 CA GLN A 37 9.706 -11.804 -1.953 1.00 0.00 C ATOM 591 C GLN A 37 10.178 -13.175 -1.484 1.00 0.00 C ATOM 592 O GLN A 37 10.724 -13.302 -0.383 1.00 0.00 O ATOM 593 CB GLN A 37 10.777 -10.727 -1.656 1.00 0.00 C ATOM 594 CG GLN A 37 12.123 -10.950 -2.362 1.00 0.00 C ATOM 595 CD GLN A 37 13.193 -9.950 -1.938 1.00 0.00 C ATOM 596 OE1 GLN A 37 13.271 -8.824 -2.626 1.00 0.00 O flip ATOM 597 NE2 GLN A 37 13.940 -10.192 -0.997 1.00 0.00 N flip ATOM 0 H GLN A 37 8.598 -10.935 -0.411 1.00 0.00 H new ATOM 0 HA GLN A 37 9.541 -11.821 -3.030 1.00 0.00 H new ATOM 0 HB2 GLN A 37 10.385 -9.753 -1.950 1.00 0.00 H new ATOM 0 HB3 GLN A 37 10.948 -10.691 -0.580 1.00 0.00 H new ATOM 0 HG2 GLN A 37 12.474 -11.960 -2.151 1.00 0.00 H new ATOM 0 HG3 GLN A 37 11.977 -10.882 -3.440 1.00 0.00 H new ATOM 0 HE21 GLN A 37 13.851 -11.072 -0.488 1.00 0.00 H new ATOM 0 HE22 GLN A 37 14.651 -9.514 -0.722 1.00 0.00 H new ATOM 606 N SER A 38 9.902 -14.208 -2.287 1.00 0.00 N ATOM 607 CA SER A 38 10.311 -15.567 -1.959 1.00 0.00 C ATOM 608 C SER A 38 11.707 -15.850 -2.526 1.00 0.00 C ATOM 609 O SER A 38 11.999 -15.563 -3.691 1.00 0.00 O ATOM 610 CB SER A 38 9.289 -16.576 -2.505 1.00 0.00 C ATOM 611 OG SER A 38 9.645 -17.919 -2.196 1.00 0.00 O ATOM 0 H SER A 38 9.396 -14.123 -3.169 1.00 0.00 H new ATOM 0 HA SER A 38 10.351 -15.672 -0.875 1.00 0.00 H new ATOM 0 HB2 SER A 38 8.306 -16.357 -2.088 1.00 0.00 H new ATOM 0 HB3 SER A 38 9.210 -16.462 -3.586 1.00 0.00 H new ATOM 0 HG SER A 38 10.079 -17.949 -1.318 1.00 0.00 H new ATOM 617 N GLY A 39 12.545 -16.432 -1.675 1.00 0.00 N ATOM 618 CA GLY A 39 13.865 -16.923 -2.051 1.00 0.00 C ATOM 619 C GLY A 39 14.026 -18.381 -1.671 1.00 0.00 C ATOM 620 O GLY A 39 13.024 -19.097 -1.511 1.00 0.00 O ATOM 0 H GLY A 39 12.323 -16.578 -0.690 1.00 0.00 H new ATOM 0 HA2 GLY A 39 14.010 -16.804 -3.125 1.00 0.00 H new ATOM 0 HA3 GLY A 39 14.633 -16.327 -1.558 1.00 0.00 H new ATOM 624 N LYS A 40 15.278 -18.831 -1.496 1.00 0.00 N ATOM 625 CA LYS A 40 15.584 -20.213 -1.066 1.00 0.00 C ATOM 626 C LYS A 40 16.741 -20.198 -0.066 1.00 0.00 C ATOM 627 O LYS A 40 17.644 -19.373 -0.179 1.00 0.00 O ATOM 628 CB LYS A 40 15.863 -21.133 -2.298 1.00 0.00 C ATOM 629 CG LYS A 40 17.134 -20.836 -3.150 1.00 0.00 C ATOM 630 CD LYS A 40 18.411 -21.561 -2.652 1.00 0.00 C ATOM 631 CE LYS A 40 19.620 -21.321 -3.566 1.00 0.00 C ATOM 632 NZ LYS A 40 20.839 -22.019 -3.074 1.00 0.00 N ATOM 0 H LYS A 40 16.106 -18.254 -1.646 1.00 0.00 H new ATOM 0 HA LYS A 40 14.717 -20.636 -0.560 1.00 0.00 H new ATOM 0 HB2 LYS A 40 15.931 -22.161 -1.941 1.00 0.00 H new ATOM 0 HB3 LYS A 40 14.997 -21.082 -2.958 1.00 0.00 H new ATOM 0 HG2 LYS A 40 16.943 -21.127 -4.183 1.00 0.00 H new ATOM 0 HG3 LYS A 40 17.316 -19.761 -3.150 1.00 0.00 H new ATOM 0 HD2 LYS A 40 18.649 -21.220 -1.644 1.00 0.00 H new ATOM 0 HD3 LYS A 40 18.215 -22.631 -2.588 1.00 0.00 H new ATOM 0 HE2 LYS A 40 19.387 -21.666 -4.573 1.00 0.00 H new ATOM 0 HE3 LYS A 40 19.817 -20.251 -3.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 21.680 -21.614 -3.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 20.916 -21.899 -2.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 20.774 -23.032 -3.301 1.00 0.00 H new ATOM 646 N ARG A 41 16.707 -21.097 0.926 1.00 0.00 N ATOM 647 CA ARG A 41 17.729 -21.160 1.981 1.00 0.00 C ATOM 648 C ARG A 41 18.498 -22.483 1.887 1.00 0.00 C ATOM 649 O ARG A 41 17.882 -23.556 1.803 1.00 0.00 O ATOM 650 CB ARG A 41 17.063 -21.047 3.380 1.00 0.00 C ATOM 651 CG ARG A 41 18.045 -20.913 4.573 1.00 0.00 C ATOM 652 CD ARG A 41 17.371 -21.136 5.947 1.00 0.00 C ATOM 653 NE ARG A 41 16.094 -20.402 6.090 1.00 0.00 N ATOM 654 CZ ARG A 41 15.847 -19.395 6.944 1.00 0.00 C ATOM 655 NH1 ARG A 41 16.792 -18.937 7.756 1.00 0.00 N ATOM 656 NH2 ARG A 41 14.647 -18.850 6.968 1.00 0.00 N ATOM 0 H ARG A 41 15.973 -21.799 1.021 1.00 0.00 H new ATOM 0 HA ARG A 41 18.421 -20.329 1.846 1.00 0.00 H new ATOM 0 HB2 ARG A 41 16.398 -20.183 3.379 1.00 0.00 H new ATOM 0 HB3 ARG A 41 16.441 -21.928 3.540 1.00 0.00 H new ATOM 0 HG2 ARG A 41 18.854 -21.633 4.452 1.00 0.00 H new ATOM 0 HG3 ARG A 41 18.496 -19.921 4.554 1.00 0.00 H new ATOM 0 HD2 ARG A 41 17.189 -22.201 6.088 1.00 0.00 H new ATOM 0 HD3 ARG A 41 18.054 -20.822 6.736 1.00 0.00 H new ATOM 0 HE ARG A 41 15.327 -20.688 5.481 1.00 0.00 H new ATOM 0 HH11 ARG A 41 17.724 -19.351 7.738 1.00 0.00 H new ATOM 0 HH12 ARG A 41 16.586 -18.171 8.398 1.00 0.00 H new ATOM 0 HH21 ARG A 41 13.918 -19.194 6.343 1.00 0.00 H new ATOM 0 HH22 ARG A 41 14.447 -18.085 7.612 1.00 0.00 H new ATOM 670 N ASP A 42 19.834 -22.392 1.890 1.00 0.00 N ATOM 671 CA ASP A 42 20.704 -23.548 2.131 1.00 0.00 C ATOM 672 C ASP A 42 20.672 -23.868 3.625 1.00 0.00 C ATOM 673 O ASP A 42 21.142 -23.070 4.431 1.00 0.00 O ATOM 674 CB ASP A 42 22.167 -23.264 1.689 1.00 0.00 C ATOM 675 CG ASP A 42 22.392 -23.376 0.175 1.00 0.00 C ATOM 676 OD1 ASP A 42 22.079 -22.422 -0.560 1.00 0.00 O ATOM 677 OD2 ASP A 42 22.878 -24.434 -0.282 1.00 0.00 O ATOM 0 H ASP A 42 20.339 -21.521 1.727 1.00 0.00 H new ATOM 0 HA ASP A 42 20.341 -24.392 1.545 1.00 0.00 H new ATOM 0 HB2 ASP A 42 22.447 -22.262 2.015 1.00 0.00 H new ATOM 0 HB3 ASP A 42 22.832 -23.962 2.198 1.00 0.00 H new ATOM 682 N LEU A 43 20.115 -25.036 3.976 1.00 0.00 N ATOM 683 CA LEU A 43 20.052 -25.522 5.374 1.00 0.00 C ATOM 684 C LEU A 43 21.419 -26.070 5.843 1.00 0.00 C ATOM 685 O LEU A 43 21.601 -26.391 7.020 1.00 0.00 O ATOM 686 CB LEU A 43 18.938 -26.594 5.512 1.00 0.00 C ATOM 687 CG LEU A 43 17.486 -26.103 5.207 1.00 0.00 C ATOM 688 CD1 LEU A 43 16.461 -27.250 5.367 1.00 0.00 C ATOM 689 CD2 LEU A 43 17.121 -24.897 6.100 1.00 0.00 C ATOM 0 H LEU A 43 19.693 -25.676 3.303 1.00 0.00 H new ATOM 0 HA LEU A 43 19.806 -24.680 6.021 1.00 0.00 H new ATOM 0 HB2 LEU A 43 19.170 -27.422 4.842 1.00 0.00 H new ATOM 0 HB3 LEU A 43 18.963 -26.989 6.528 1.00 0.00 H new ATOM 0 HG LEU A 43 17.450 -25.777 4.167 1.00 0.00 H new ATOM 0 HD11 LEU A 43 15.460 -26.877 5.148 1.00 0.00 H new ATOM 0 HD12 LEU A 43 16.707 -28.057 4.676 1.00 0.00 H new ATOM 0 HD13 LEU A 43 16.492 -27.626 6.390 1.00 0.00 H new ATOM 0 HD21 LEU A 43 16.106 -24.570 5.873 1.00 0.00 H new ATOM 0 HD22 LEU A 43 17.182 -25.189 7.148 1.00 0.00 H new ATOM 0 HD23 LEU A 43 17.817 -24.080 5.910 1.00 0.00 H new ATOM 701 N THR A 44 22.365 -26.176 4.894 1.00 0.00 N ATOM 702 CA THR A 44 23.740 -26.620 5.165 1.00 0.00 C ATOM 703 C THR A 44 24.578 -25.477 5.776 1.00 0.00 C ATOM 704 O THR A 44 25.322 -25.694 6.736 1.00 0.00 O ATOM 705 CB THR A 44 24.418 -27.205 3.868 1.00 0.00 C ATOM 706 OG1 THR A 44 25.795 -27.532 4.109 1.00 0.00 O ATOM 707 CG2 THR A 44 24.327 -26.252 2.668 1.00 0.00 C ATOM 0 H THR A 44 22.195 -25.955 3.913 1.00 0.00 H new ATOM 0 HA THR A 44 23.695 -27.425 5.898 1.00 0.00 H new ATOM 0 HB THR A 44 23.862 -28.109 3.621 1.00 0.00 H new ATOM 0 HG1 THR A 44 26.193 -27.894 3.290 1.00 0.00 H new ATOM 0 HG21 THR A 44 24.810 -26.708 1.804 1.00 0.00 H new ATOM 0 HG22 THR A 44 23.280 -26.057 2.437 1.00 0.00 H new ATOM 0 HG23 THR A 44 24.826 -25.314 2.910 1.00 0.00 H new ATOM 715 N ASN A 45 24.444 -24.265 5.203 1.00 0.00 N ATOM 716 CA ASN A 45 25.188 -23.061 5.655 1.00 0.00 C ATOM 717 C ASN A 45 24.316 -22.133 6.515 1.00 0.00 C ATOM 718 O ASN A 45 24.842 -21.317 7.281 1.00 0.00 O ATOM 719 CB ASN A 45 25.728 -22.275 4.430 1.00 0.00 C ATOM 720 CG ASN A 45 26.660 -23.090 3.529 1.00 0.00 C ATOM 721 OD1 ASN A 45 26.698 -22.752 2.253 1.00 0.00 O flip ATOM 722 ND2 ASN A 45 27.346 -24.002 3.979 1.00 0.00 N flip ATOM 0 H ASN A 45 23.820 -24.088 4.416 1.00 0.00 H new ATOM 0 HA ASN A 45 26.019 -23.407 6.270 1.00 0.00 H new ATOM 0 HB2 ASN A 45 24.884 -21.921 3.837 1.00 0.00 H new ATOM 0 HB3 ASN A 45 26.261 -21.393 4.784 1.00 0.00 H new ATOM 0 HD21 ASN A 45 27.294 -24.238 4.970 1.00 0.00 H new ATOM 0 HD22 ASN A 45 27.969 -24.524 3.362 1.00 0.00 H new ATOM 729 N GLY A 46 22.986 -22.263 6.386 1.00 0.00 N ATOM 730 CA GLY A 46 22.048 -21.318 7.002 1.00 0.00 C ATOM 731 C GLY A 46 22.012 -19.973 6.276 1.00 0.00 C ATOM 732 O GLY A 46 21.682 -18.940 6.873 1.00 0.00 O ATOM 0 H GLY A 46 22.539 -23.014 5.860 1.00 0.00 H new ATOM 0 HA2 GLY A 46 21.048 -21.753 7.005 1.00 0.00 H new ATOM 0 HA3 GLY A 46 22.329 -21.158 8.043 1.00 0.00 H new ATOM 736 N LYS A 47 22.357 -19.991 4.975 1.00 0.00 N ATOM 737 CA LYS A 47 22.444 -18.776 4.136 1.00 0.00 C ATOM 738 C LYS A 47 21.123 -18.594 3.363 1.00 0.00 C ATOM 739 O LYS A 47 20.545 -19.575 2.880 1.00 0.00 O ATOM 740 CB LYS A 47 23.665 -18.879 3.169 1.00 0.00 C ATOM 741 CG LYS A 47 23.579 -20.027 2.148 1.00 0.00 C ATOM 742 CD LYS A 47 24.768 -20.084 1.171 1.00 0.00 C ATOM 743 CE LYS A 47 24.912 -18.825 0.307 1.00 0.00 C ATOM 744 NZ LYS A 47 26.120 -18.893 -0.560 1.00 0.00 N ATOM 0 H LYS A 47 22.584 -20.849 4.473 1.00 0.00 H new ATOM 0 HA LYS A 47 22.596 -17.900 4.767 1.00 0.00 H new ATOM 0 HB2 LYS A 47 23.765 -17.937 2.629 1.00 0.00 H new ATOM 0 HB3 LYS A 47 24.571 -19.004 3.761 1.00 0.00 H new ATOM 0 HG2 LYS A 47 23.517 -20.974 2.685 1.00 0.00 H new ATOM 0 HG3 LYS A 47 22.657 -19.924 1.577 1.00 0.00 H new ATOM 0 HD2 LYS A 47 25.687 -20.233 1.738 1.00 0.00 H new ATOM 0 HD3 LYS A 47 24.652 -20.950 0.520 1.00 0.00 H new ATOM 0 HE2 LYS A 47 24.024 -18.705 -0.314 1.00 0.00 H new ATOM 0 HE3 LYS A 47 24.973 -17.947 0.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 26.187 -18.026 -1.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 26.969 -18.983 0.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 26.049 -19.718 -1.190 1.00 0.00 H new ATOM 758 N GLU A 48 20.642 -17.345 3.276 1.00 0.00 N ATOM 759 CA GLU A 48 19.369 -17.005 2.611 1.00 0.00 C ATOM 760 C GLU A 48 19.640 -16.309 1.264 1.00 0.00 C ATOM 761 O GLU A 48 20.203 -15.216 1.219 1.00 0.00 O ATOM 762 CB GLU A 48 18.539 -16.099 3.543 1.00 0.00 C ATOM 763 CG GLU A 48 18.107 -16.768 4.863 1.00 0.00 C ATOM 764 CD GLU A 48 17.431 -15.787 5.834 1.00 0.00 C ATOM 765 OE1 GLU A 48 18.144 -14.925 6.404 1.00 0.00 O ATOM 766 OE2 GLU A 48 16.198 -15.871 6.036 1.00 0.00 O ATOM 0 H GLU A 48 21.125 -16.536 3.666 1.00 0.00 H new ATOM 0 HA GLU A 48 18.806 -17.916 2.408 1.00 0.00 H new ATOM 0 HB2 GLU A 48 19.121 -15.207 3.775 1.00 0.00 H new ATOM 0 HB3 GLU A 48 17.648 -15.768 3.009 1.00 0.00 H new ATOM 0 HG2 GLU A 48 17.420 -17.586 4.643 1.00 0.00 H new ATOM 0 HG3 GLU A 48 18.980 -17.206 5.346 1.00 0.00 H new ATOM 773 N ILE A 49 19.217 -16.965 0.183 1.00 0.00 N ATOM 774 CA ILE A 49 19.468 -16.537 -1.196 1.00 0.00 C ATOM 775 C ILE A 49 18.194 -15.861 -1.725 1.00 0.00 C ATOM 776 O ILE A 49 17.199 -16.539 -2.023 1.00 0.00 O ATOM 777 CB ILE A 49 19.880 -17.762 -2.123 1.00 0.00 C ATOM 778 CG1 ILE A 49 21.223 -18.437 -1.660 1.00 0.00 C ATOM 779 CG2 ILE A 49 19.969 -17.351 -3.610 1.00 0.00 C ATOM 780 CD1 ILE A 49 21.103 -19.312 -0.427 1.00 0.00 C ATOM 0 H ILE A 49 18.678 -17.829 0.242 1.00 0.00 H new ATOM 0 HA ILE A 49 20.303 -15.836 -1.211 1.00 0.00 H new ATOM 0 HB ILE A 49 19.086 -18.501 -2.019 1.00 0.00 H new ATOM 0 HG12 ILE A 49 21.611 -19.041 -2.480 1.00 0.00 H new ATOM 0 HG13 ILE A 49 21.957 -17.656 -1.464 1.00 0.00 H new ATOM 0 HG21 ILE A 49 20.253 -18.216 -4.210 1.00 0.00 H new ATOM 0 HG22 ILE A 49 19.000 -16.980 -3.944 1.00 0.00 H new ATOM 0 HG23 ILE A 49 20.717 -16.567 -3.727 1.00 0.00 H new ATOM 0 HD11 ILE A 49 22.078 -19.734 -0.184 1.00 0.00 H new ATOM 0 HD12 ILE A 49 20.748 -18.713 0.411 1.00 0.00 H new ATOM 0 HD13 ILE A 49 20.397 -20.119 -0.621 1.00 0.00 H new ATOM 792 N TRP A 50 18.211 -14.524 -1.767 1.00 0.00 N ATOM 793 CA TRP A 50 17.114 -13.700 -2.303 1.00 0.00 C ATOM 794 C TRP A 50 17.518 -13.172 -3.689 1.00 0.00 C ATOM 795 O TRP A 50 18.716 -13.011 -3.963 1.00 0.00 O ATOM 796 CB TRP A 50 16.844 -12.512 -1.349 1.00 0.00 C ATOM 797 CG TRP A 50 16.689 -12.904 0.105 1.00 0.00 C ATOM 798 CD1 TRP A 50 17.638 -12.825 1.089 1.00 0.00 C ATOM 799 CD2 TRP A 50 15.520 -13.450 0.726 1.00 0.00 C ATOM 800 NE1 TRP A 50 17.119 -13.261 2.278 1.00 0.00 N ATOM 801 CE2 TRP A 50 15.825 -13.651 2.083 1.00 0.00 C ATOM 802 CE3 TRP A 50 14.242 -13.773 0.267 1.00 0.00 C ATOM 803 CZ2 TRP A 50 14.903 -14.159 2.986 1.00 0.00 C ATOM 804 CZ3 TRP A 50 13.330 -14.279 1.162 1.00 0.00 C ATOM 805 CH2 TRP A 50 13.661 -14.463 2.510 1.00 0.00 C ATOM 0 H TRP A 50 18.998 -13.973 -1.425 1.00 0.00 H new ATOM 0 HA TRP A 50 16.208 -14.300 -2.389 1.00 0.00 H new ATOM 0 HB2 TRP A 50 17.663 -11.798 -1.435 1.00 0.00 H new ATOM 0 HB3 TRP A 50 15.939 -11.999 -1.673 1.00 0.00 H new ATOM 0 HD1 TRP A 50 18.648 -12.470 0.948 1.00 0.00 H new ATOM 0 HE1 TRP A 50 17.618 -13.290 3.167 1.00 0.00 H new ATOM 0 HE3 TRP A 50 13.975 -13.628 -0.770 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 15.158 -14.308 4.025 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 12.340 -14.540 0.819 1.00 0.00 H new ATOM 0 HH2 TRP A 50 12.917 -14.854 3.188 1.00 0.00 H new ATOM 816 N ASP A 51 16.530 -12.904 -4.548 1.00 0.00 N ATOM 817 CA ASP A 51 16.759 -12.416 -5.924 1.00 0.00 C ATOM 818 C ASP A 51 16.537 -10.901 -5.989 1.00 0.00 C ATOM 819 O ASP A 51 15.449 -10.415 -5.674 1.00 0.00 O ATOM 820 CB ASP A 51 15.823 -13.161 -6.905 1.00 0.00 C ATOM 821 CG ASP A 51 15.928 -12.683 -8.363 1.00 0.00 C ATOM 822 OD1 ASP A 51 17.014 -12.809 -8.970 1.00 0.00 O ATOM 823 OD2 ASP A 51 14.933 -12.185 -8.910 1.00 0.00 O ATOM 0 H ASP A 51 15.544 -13.018 -4.314 1.00 0.00 H new ATOM 0 HA ASP A 51 17.790 -12.617 -6.214 1.00 0.00 H new ATOM 0 HB2 ASP A 51 16.049 -14.227 -6.867 1.00 0.00 H new ATOM 0 HB3 ASP A 51 14.793 -13.041 -6.569 1.00 0.00 H new ATOM 828 N SER A 52 17.581 -10.160 -6.398 1.00 0.00 N ATOM 829 CA SER A 52 17.533 -8.689 -6.508 1.00 0.00 C ATOM 830 C SER A 52 16.730 -8.223 -7.741 1.00 0.00 C ATOM 831 O SER A 52 16.347 -7.048 -7.844 1.00 0.00 O ATOM 832 CB SER A 52 18.962 -8.125 -6.549 1.00 0.00 C ATOM 833 OG SER A 52 18.975 -6.706 -6.587 1.00 0.00 O ATOM 0 H SER A 52 18.481 -10.561 -6.662 1.00 0.00 H new ATOM 0 HA SER A 52 17.015 -8.305 -5.629 1.00 0.00 H new ATOM 0 HB2 SER A 52 19.512 -8.469 -5.673 1.00 0.00 H new ATOM 0 HB3 SER A 52 19.480 -8.515 -7.425 1.00 0.00 H new ATOM 0 HG SER A 52 19.902 -6.388 -6.611 1.00 0.00 H new ATOM 839 N LYS A 53 16.480 -9.158 -8.675 1.00 0.00 N ATOM 840 CA LYS A 53 15.673 -8.896 -9.881 1.00 0.00 C ATOM 841 C LYS A 53 14.169 -9.078 -9.593 1.00 0.00 C ATOM 842 O LYS A 53 13.344 -8.850 -10.486 1.00 0.00 O ATOM 843 CB LYS A 53 16.137 -9.826 -11.036 1.00 0.00 C ATOM 844 CG LYS A 53 17.641 -9.712 -11.364 1.00 0.00 C ATOM 845 CD LYS A 53 18.103 -10.670 -12.485 1.00 0.00 C ATOM 846 CE LYS A 53 19.622 -10.591 -12.728 1.00 0.00 C ATOM 847 NZ LYS A 53 20.413 -10.991 -11.530 1.00 0.00 N ATOM 0 H LYS A 53 16.830 -10.114 -8.616 1.00 0.00 H new ATOM 0 HA LYS A 53 15.823 -7.860 -10.184 1.00 0.00 H new ATOM 0 HB2 LYS A 53 15.910 -10.859 -10.771 1.00 0.00 H new ATOM 0 HB3 LYS A 53 15.561 -9.592 -11.931 1.00 0.00 H new ATOM 0 HG2 LYS A 53 17.863 -8.687 -11.659 1.00 0.00 H new ATOM 0 HG3 LYS A 53 18.218 -9.916 -10.462 1.00 0.00 H new ATOM 0 HD2 LYS A 53 17.831 -11.692 -12.222 1.00 0.00 H new ATOM 0 HD3 LYS A 53 17.576 -10.428 -13.408 1.00 0.00 H new ATOM 0 HE2 LYS A 53 19.887 -11.236 -13.566 1.00 0.00 H new ATOM 0 HE3 LYS A 53 19.889 -9.573 -13.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 21.415 -11.085 -11.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 20.314 -10.266 -10.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 20.062 -11.902 -11.171 1.00 0.00 H new ATOM 861 N TRP A 54 13.820 -9.509 -8.353 1.00 0.00 N ATOM 862 CA TRP A 54 12.416 -9.598 -7.909 1.00 0.00 C ATOM 863 C TRP A 54 11.771 -8.203 -7.954 1.00 0.00 C ATOM 864 O TRP A 54 12.331 -7.234 -7.426 1.00 0.00 O ATOM 865 CB TRP A 54 12.315 -10.201 -6.480 1.00 0.00 C ATOM 866 CG TRP A 54 10.899 -10.265 -5.925 1.00 0.00 C ATOM 867 CD1 TRP A 54 10.003 -11.287 -6.075 1.00 0.00 C ATOM 868 CD2 TRP A 54 10.219 -9.261 -5.141 1.00 0.00 C ATOM 869 NE1 TRP A 54 8.824 -10.980 -5.449 1.00 0.00 N ATOM 870 CE2 TRP A 54 8.929 -9.747 -4.871 1.00 0.00 C ATOM 871 CE3 TRP A 54 10.573 -8.000 -4.654 1.00 0.00 C ATOM 872 CZ2 TRP A 54 8.001 -9.029 -4.129 1.00 0.00 C ATOM 873 CZ3 TRP A 54 9.650 -7.289 -3.922 1.00 0.00 C ATOM 874 CH2 TRP A 54 8.375 -7.800 -3.667 1.00 0.00 C ATOM 0 H TRP A 54 14.497 -9.799 -7.647 1.00 0.00 H new ATOM 0 HA TRP A 54 11.880 -10.263 -8.585 1.00 0.00 H new ATOM 0 HB2 TRP A 54 12.733 -11.207 -6.493 1.00 0.00 H new ATOM 0 HB3 TRP A 54 12.931 -9.608 -5.804 1.00 0.00 H new ATOM 0 HD1 TRP A 54 10.197 -12.205 -6.610 1.00 0.00 H new ATOM 0 HE1 TRP A 54 7.998 -11.578 -5.419 1.00 0.00 H new ATOM 0 HE3 TRP A 54 11.553 -7.591 -4.849 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 7.019 -9.428 -3.925 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 9.917 -6.316 -3.537 1.00 0.00 H new ATOM 0 HH2 TRP A 54 7.673 -7.212 -3.094 1.00 0.00 H new ATOM 885 N SER A 55 10.622 -8.130 -8.620 1.00 0.00 N ATOM 886 CA SER A 55 9.796 -6.938 -8.699 1.00 0.00 C ATOM 887 C SER A 55 8.364 -7.391 -8.978 1.00 0.00 C ATOM 888 O SER A 55 8.091 -7.973 -10.027 1.00 0.00 O ATOM 889 CB SER A 55 10.350 -5.981 -9.783 1.00 0.00 C ATOM 890 OG SER A 55 10.603 -6.661 -11.011 1.00 0.00 O ATOM 0 H SER A 55 10.233 -8.922 -9.132 1.00 0.00 H new ATOM 0 HA SER A 55 9.808 -6.375 -7.766 1.00 0.00 H new ATOM 0 HB2 SER A 55 9.637 -5.174 -9.954 1.00 0.00 H new ATOM 0 HB3 SER A 55 11.271 -5.521 -9.426 1.00 0.00 H new ATOM 0 HG SER A 55 9.915 -7.344 -11.155 1.00 0.00 H new ATOM 896 N LEU A 56 7.463 -7.160 -8.026 1.00 0.00 N ATOM 897 CA LEU A 56 6.095 -7.694 -8.071 1.00 0.00 C ATOM 898 C LEU A 56 5.115 -6.574 -7.726 1.00 0.00 C ATOM 899 O LEU A 56 5.324 -5.846 -6.746 1.00 0.00 O ATOM 900 CB LEU A 56 5.963 -8.889 -7.090 1.00 0.00 C ATOM 901 CG LEU A 56 4.571 -9.587 -6.997 1.00 0.00 C ATOM 902 CD1 LEU A 56 4.123 -10.178 -8.359 1.00 0.00 C ATOM 903 CD2 LEU A 56 4.575 -10.664 -5.880 1.00 0.00 C ATOM 0 H LEU A 56 7.657 -6.597 -7.198 1.00 0.00 H new ATOM 0 HA LEU A 56 5.865 -8.061 -9.071 1.00 0.00 H new ATOM 0 HB2 LEU A 56 6.699 -9.641 -7.373 1.00 0.00 H new ATOM 0 HB3 LEU A 56 6.232 -8.539 -6.093 1.00 0.00 H new ATOM 0 HG LEU A 56 3.837 -8.826 -6.733 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.149 -10.654 -8.246 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.053 -9.379 -9.097 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.852 -10.917 -8.692 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.596 -11.140 -5.830 1.00 0.00 H new ATOM 0 HD22 LEU A 56 5.333 -11.415 -6.102 1.00 0.00 H new ATOM 0 HD23 LEU A 56 4.799 -10.194 -4.922 1.00 0.00 H new ATOM 915 N THR A 57 4.077 -6.403 -8.564 1.00 0.00 N ATOM 916 CA THR A 57 3.010 -5.432 -8.323 1.00 0.00 C ATOM 917 C THR A 57 1.783 -6.146 -7.735 1.00 0.00 C ATOM 918 O THR A 57 1.482 -7.289 -8.106 1.00 0.00 O ATOM 919 CB THR A 57 2.625 -4.640 -9.625 1.00 0.00 C ATOM 920 OG1 THR A 57 1.899 -3.462 -9.273 1.00 0.00 O ATOM 921 CG2 THR A 57 1.786 -5.450 -10.625 1.00 0.00 C ATOM 0 H THR A 57 3.960 -6.937 -9.425 1.00 0.00 H new ATOM 0 HA THR A 57 3.379 -4.698 -7.606 1.00 0.00 H new ATOM 0 HB THR A 57 3.567 -4.400 -10.118 1.00 0.00 H new ATOM 0 HG1 THR A 57 2.484 -2.680 -9.357 1.00 0.00 H new ATOM 0 HG21 THR A 57 1.562 -4.833 -11.495 1.00 0.00 H new ATOM 0 HG22 THR A 57 2.345 -6.332 -10.939 1.00 0.00 H new ATOM 0 HG23 THR A 57 0.855 -5.761 -10.151 1.00 0.00 H new ATOM 929 N GLN A 58 1.102 -5.478 -6.796 1.00 0.00 N ATOM 930 CA GLN A 58 -0.141 -5.963 -6.191 1.00 0.00 C ATOM 931 C GLN A 58 -1.230 -4.906 -6.404 1.00 0.00 C ATOM 932 O GLN A 58 -0.963 -3.702 -6.370 1.00 0.00 O ATOM 933 CB GLN A 58 0.032 -6.281 -4.665 1.00 0.00 C ATOM 934 CG GLN A 58 0.219 -7.768 -4.298 1.00 0.00 C ATOM 935 CD GLN A 58 1.497 -8.383 -4.856 1.00 0.00 C ATOM 936 OE1 GLN A 58 1.494 -8.954 -5.936 1.00 0.00 O ATOM 937 NE2 GLN A 58 2.596 -8.263 -4.127 1.00 0.00 N ATOM 0 H GLN A 58 1.404 -4.574 -6.432 1.00 0.00 H new ATOM 0 HA GLN A 58 -0.425 -6.899 -6.673 1.00 0.00 H new ATOM 0 HB2 GLN A 58 0.893 -5.725 -4.294 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -0.843 -5.904 -4.135 1.00 0.00 H new ATOM 0 HG2 GLN A 58 0.223 -7.867 -3.213 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -0.637 -8.334 -4.667 1.00 0.00 H new ATOM 0 HE21 GLN A 58 2.562 -7.780 -3.229 1.00 0.00 H new ATOM 0 HE22 GLN A 58 3.476 -8.654 -4.463 1.00 0.00 H new ATOM 946 N THR A 59 -2.446 -5.389 -6.603 1.00 0.00 N ATOM 947 CA THR A 59 -3.641 -4.583 -6.840 1.00 0.00 C ATOM 948 C THR A 59 -4.054 -3.839 -5.555 1.00 0.00 C ATOM 949 O THR A 59 -4.353 -4.490 -4.548 1.00 0.00 O ATOM 950 CB THR A 59 -4.796 -5.538 -7.285 1.00 0.00 C ATOM 951 OG1 THR A 59 -4.291 -6.497 -8.222 1.00 0.00 O ATOM 952 CG2 THR A 59 -5.965 -4.801 -7.934 1.00 0.00 C ATOM 0 H THR A 59 -2.639 -6.391 -6.605 1.00 0.00 H new ATOM 0 HA THR A 59 -3.436 -3.843 -7.614 1.00 0.00 H new ATOM 0 HB THR A 59 -5.167 -6.021 -6.381 1.00 0.00 H new ATOM 0 HG1 THR A 59 -5.015 -7.096 -8.499 1.00 0.00 H new ATOM 0 HG21 THR A 59 -6.734 -5.519 -8.221 1.00 0.00 H new ATOM 0 HG22 THR A 59 -6.383 -4.086 -7.225 1.00 0.00 H new ATOM 0 HG23 THR A 59 -5.615 -4.272 -8.820 1.00 0.00 H new ATOM 960 N PHE A 60 -4.049 -2.496 -5.586 1.00 0.00 N ATOM 961 CA PHE A 60 -4.516 -1.669 -4.449 1.00 0.00 C ATOM 962 C PHE A 60 -5.797 -0.961 -4.890 1.00 0.00 C ATOM 963 O PHE A 60 -5.763 -0.178 -5.835 1.00 0.00 O ATOM 964 CB PHE A 60 -3.434 -0.636 -3.979 1.00 0.00 C ATOM 965 CG PHE A 60 -3.126 -0.613 -2.471 1.00 0.00 C ATOM 966 CD1 PHE A 60 -3.861 -1.365 -1.551 1.00 0.00 C ATOM 967 CD2 PHE A 60 -2.054 0.129 -1.988 1.00 0.00 C ATOM 968 CE1 PHE A 60 -3.523 -1.375 -0.214 1.00 0.00 C ATOM 969 CE2 PHE A 60 -1.728 0.126 -0.659 1.00 0.00 C ATOM 970 CZ PHE A 60 -2.455 -0.626 0.233 1.00 0.00 C ATOM 0 H PHE A 60 -3.726 -1.954 -6.387 1.00 0.00 H new ATOM 0 HA PHE A 60 -4.706 -2.310 -3.589 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -2.508 -0.843 -4.515 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -3.759 0.361 -4.277 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -4.705 -1.946 -1.891 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -1.467 0.720 -2.676 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -4.095 -1.970 0.483 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -0.895 0.718 -0.309 1.00 0.00 H new ATOM 0 HZ PHE A 60 -2.191 -0.630 1.280 1.00 0.00 H new ATOM 980 N GLU A 61 -6.916 -1.288 -4.225 1.00 0.00 N ATOM 981 CA GLU A 61 -8.264 -0.803 -4.576 1.00 0.00 C ATOM 982 C GLU A 61 -9.237 -1.153 -3.433 1.00 0.00 C ATOM 983 O GLU A 61 -8.807 -1.282 -2.286 1.00 0.00 O ATOM 984 CB GLU A 61 -8.723 -1.405 -5.956 1.00 0.00 C ATOM 985 CG GLU A 61 -8.361 -2.887 -6.206 1.00 0.00 C ATOM 986 CD GLU A 61 -8.988 -3.898 -5.235 1.00 0.00 C ATOM 987 OE1 GLU A 61 -10.188 -4.215 -5.390 1.00 0.00 O ATOM 988 OE2 GLU A 61 -8.288 -4.378 -4.310 1.00 0.00 O ATOM 0 H GLU A 61 -6.912 -1.907 -3.414 1.00 0.00 H new ATOM 0 HA GLU A 61 -8.254 0.280 -4.695 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -9.805 -1.298 -6.034 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -8.285 -0.806 -6.754 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -8.663 -3.150 -7.220 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -7.277 -2.990 -6.159 1.00 0.00 H new ATOM 995 N ALA A 62 -10.547 -1.256 -3.758 1.00 0.00 N ATOM 996 CA ALA A 62 -11.612 -1.688 -2.820 1.00 0.00 C ATOM 997 C ALA A 62 -11.800 -0.685 -1.666 1.00 0.00 C ATOM 998 O ALA A 62 -12.506 -0.980 -0.709 1.00 0.00 O ATOM 999 CB ALA A 62 -11.357 -3.128 -2.292 1.00 0.00 C ATOM 0 H ALA A 62 -10.899 -1.039 -4.690 1.00 0.00 H new ATOM 0 HA ALA A 62 -12.546 -1.708 -3.381 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -12.157 -3.412 -1.608 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -11.333 -3.824 -3.130 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -10.402 -3.159 -1.767 1.00 0.00 H new ATOM 1005 N LEU A 63 -11.185 0.506 -1.798 1.00 0.00 N ATOM 1006 CA LEU A 63 -11.195 1.555 -0.772 1.00 0.00 C ATOM 1007 C LEU A 63 -12.290 2.568 -1.169 1.00 0.00 C ATOM 1008 O LEU A 63 -12.061 3.399 -2.065 1.00 0.00 O ATOM 1009 CB LEU A 63 -9.776 2.226 -0.682 1.00 0.00 C ATOM 1010 CG LEU A 63 -9.335 2.784 0.725 1.00 0.00 C ATOM 1011 CD1 LEU A 63 -10.353 3.778 1.332 1.00 0.00 C ATOM 1012 CD2 LEU A 63 -9.038 1.628 1.698 1.00 0.00 C ATOM 0 H LEU A 63 -10.661 0.766 -2.634 1.00 0.00 H new ATOM 0 HA LEU A 63 -11.415 1.150 0.216 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -9.035 1.495 -1.004 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -9.744 3.048 -1.397 1.00 0.00 H new ATOM 0 HG LEU A 63 -8.419 3.352 0.563 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -9.990 4.125 2.300 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -10.473 4.630 0.663 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -11.314 3.281 1.462 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -8.735 2.034 2.663 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -9.934 1.020 1.825 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -8.234 1.011 1.296 1.00 0.00 H new ATOM 1024 N PRO A 64 -13.510 2.500 -0.540 1.00 0.00 N ATOM 1025 CA PRO A 64 -14.628 3.375 -0.894 1.00 0.00 C ATOM 1026 C PRO A 64 -14.556 4.728 -0.157 1.00 0.00 C ATOM 1027 O PRO A 64 -13.573 5.030 0.533 1.00 0.00 O ATOM 1028 CB PRO A 64 -15.854 2.525 -0.475 1.00 0.00 C ATOM 1029 CG PRO A 64 -15.393 1.723 0.700 1.00 0.00 C ATOM 1030 CD PRO A 64 -13.884 1.575 0.564 1.00 0.00 C ATOM 0 HA PRO A 64 -14.649 3.661 -1.946 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -16.701 3.159 -0.211 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -16.181 1.878 -1.289 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -15.650 2.222 1.634 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -15.878 0.747 0.716 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -13.375 1.839 1.491 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -13.607 0.547 0.330 1.00 0.00 H new ATOM 1038 N SER A 65 -15.612 5.527 -0.320 1.00 0.00 N ATOM 1039 CA SER A 65 -15.780 6.808 0.372 1.00 0.00 C ATOM 1040 C SER A 65 -17.284 7.014 0.639 1.00 0.00 C ATOM 1041 O SER A 65 -18.088 6.780 -0.277 1.00 0.00 O ATOM 1042 CB SER A 65 -15.202 7.965 -0.489 1.00 0.00 C ATOM 1043 OG SER A 65 -15.905 8.104 -1.711 1.00 0.00 O ATOM 0 H SER A 65 -16.386 5.300 -0.945 1.00 0.00 H new ATOM 0 HA SER A 65 -15.238 6.803 1.318 1.00 0.00 H new ATOM 0 HB2 SER A 65 -15.256 8.899 0.071 1.00 0.00 H new ATOM 0 HB3 SER A 65 -14.148 7.776 -0.694 1.00 0.00 H new ATOM 0 HG SER A 65 -15.500 7.524 -2.389 1.00 0.00 H new ATOM 1049 N PRO A 66 -17.715 7.377 1.896 1.00 0.00 N ATOM 1050 CA PRO A 66 -19.118 7.749 2.177 1.00 0.00 C ATOM 1051 C PRO A 66 -19.596 8.868 1.226 1.00 0.00 C ATOM 1052 O PRO A 66 -18.978 9.936 1.162 1.00 0.00 O ATOM 1053 CB PRO A 66 -19.084 8.211 3.671 1.00 0.00 C ATOM 1054 CG PRO A 66 -17.633 8.382 4.003 1.00 0.00 C ATOM 1055 CD PRO A 66 -16.904 7.393 3.136 1.00 0.00 C ATOM 0 HA PRO A 66 -19.821 6.932 2.018 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -19.630 9.145 3.806 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -19.551 7.472 4.321 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -17.301 9.400 3.801 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -17.447 8.190 5.060 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -15.878 7.705 2.943 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -16.856 6.408 3.600 1.00 0.00 H new ATOM 1063 N VAL A 67 -20.657 8.581 0.448 1.00 0.00 N ATOM 1064 CA VAL A 67 -21.257 9.561 -0.460 1.00 0.00 C ATOM 1065 C VAL A 67 -21.957 10.641 0.381 1.00 0.00 C ATOM 1066 O VAL A 67 -23.009 10.392 0.985 1.00 0.00 O ATOM 1067 CB VAL A 67 -22.269 8.860 -1.450 1.00 0.00 C ATOM 1068 CG1 VAL A 67 -22.963 9.890 -2.371 1.00 0.00 C ATOM 1069 CG2 VAL A 67 -21.556 7.754 -2.279 1.00 0.00 C ATOM 0 H VAL A 67 -21.115 7.670 0.435 1.00 0.00 H new ATOM 0 HA VAL A 67 -20.482 10.025 -1.070 1.00 0.00 H new ATOM 0 HB VAL A 67 -23.045 8.384 -0.851 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -23.652 9.374 -3.039 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -23.515 10.607 -1.764 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -22.212 10.416 -2.960 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -22.273 7.286 -2.953 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -20.748 8.199 -2.860 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -21.146 7.001 -1.605 1.00 0.00 H new ATOM 1079 N ILE A 68 -21.329 11.824 0.439 1.00 0.00 N ATOM 1080 CA ILE A 68 -21.809 12.959 1.227 1.00 0.00 C ATOM 1081 C ILE A 68 -22.375 13.995 0.253 1.00 0.00 C ATOM 1082 O ILE A 68 -21.625 14.544 -0.569 1.00 0.00 O ATOM 1083 CB ILE A 68 -20.652 13.593 2.093 1.00 0.00 C ATOM 1084 CG1 ILE A 68 -19.948 12.512 2.981 1.00 0.00 C ATOM 1085 CG2 ILE A 68 -21.200 14.741 2.968 1.00 0.00 C ATOM 1086 CD1 ILE A 68 -18.794 13.026 3.825 1.00 0.00 C ATOM 0 H ILE A 68 -20.465 12.018 -0.067 1.00 0.00 H new ATOM 0 HA ILE A 68 -22.577 12.623 1.923 1.00 0.00 H new ATOM 0 HB ILE A 68 -19.906 14.000 1.410 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -20.691 12.066 3.642 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -19.579 11.716 2.334 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -20.389 15.167 3.559 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -21.628 15.513 2.329 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -21.970 14.354 3.635 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -18.372 12.204 4.404 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -18.025 13.444 3.175 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -19.155 13.799 4.503 1.00 0.00 H new ATOM 1098 N ILE A 69 -23.690 14.231 0.326 1.00 0.00 N ATOM 1099 CA ILE A 69 -24.392 15.110 -0.616 1.00 0.00 C ATOM 1100 C ILE A 69 -24.011 16.577 -0.343 1.00 0.00 C ATOM 1101 O ILE A 69 -23.886 16.994 0.815 1.00 0.00 O ATOM 1102 CB ILE A 69 -25.950 14.908 -0.535 1.00 0.00 C ATOM 1103 CG1 ILE A 69 -26.325 13.394 -0.688 1.00 0.00 C ATOM 1104 CG2 ILE A 69 -26.695 15.768 -1.587 1.00 0.00 C ATOM 1105 CD1 ILE A 69 -25.904 12.737 -2.005 1.00 0.00 C ATOM 0 H ILE A 69 -24.295 13.820 1.037 1.00 0.00 H new ATOM 0 HA ILE A 69 -24.084 14.848 -1.628 1.00 0.00 H new ATOM 0 HB ILE A 69 -26.272 15.244 0.451 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -25.871 12.841 0.134 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -27.405 13.293 -0.582 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -27.769 15.601 -1.499 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -26.477 16.822 -1.416 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -26.364 15.487 -2.587 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -26.212 11.692 -2.005 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -26.379 13.255 -2.838 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -24.821 12.796 -2.111 1.00 0.00 H new ATOM 1117 N GLY A 70 -23.808 17.329 -1.429 1.00 0.00 N ATOM 1118 CA GLY A 70 -23.294 18.688 -1.363 1.00 0.00 C ATOM 1119 C GLY A 70 -21.779 18.718 -1.265 1.00 0.00 C ATOM 1120 O GLY A 70 -21.189 19.777 -1.026 1.00 0.00 O ATOM 0 H GLY A 70 -23.998 17.006 -2.378 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -23.611 19.239 -2.248 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -23.723 19.197 -0.500 1.00 0.00 H new ATOM 1124 N TYR A 71 -21.142 17.541 -1.435 1.00 0.00 N ATOM 1125 CA TYR A 71 -19.682 17.393 -1.397 1.00 0.00 C ATOM 1126 C TYR A 71 -19.226 16.407 -2.474 1.00 0.00 C ATOM 1127 O TYR A 71 -19.969 15.509 -2.874 1.00 0.00 O ATOM 1128 CB TYR A 71 -19.195 16.914 -0.004 1.00 0.00 C ATOM 1129 CG TYR A 71 -19.412 17.946 1.112 1.00 0.00 C ATOM 1130 CD1 TYR A 71 -18.458 18.925 1.389 1.00 0.00 C ATOM 1131 CD2 TYR A 71 -20.585 17.951 1.868 1.00 0.00 C ATOM 1132 CE1 TYR A 71 -18.666 19.859 2.378 1.00 0.00 C ATOM 1133 CE2 TYR A 71 -20.798 18.886 2.851 1.00 0.00 C ATOM 1134 CZ TYR A 71 -19.836 19.837 3.102 1.00 0.00 C ATOM 1135 OH TYR A 71 -20.049 20.776 4.078 1.00 0.00 O ATOM 0 H TYR A 71 -21.634 16.664 -1.603 1.00 0.00 H new ATOM 0 HA TYR A 71 -19.243 18.372 -1.590 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -19.717 15.994 0.257 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -18.134 16.673 -0.063 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -17.541 18.950 0.818 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -21.341 17.204 1.676 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -17.914 20.606 2.585 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -21.714 18.875 3.423 1.00 0.00 H new ATOM 0 HH TYR A 71 -20.923 20.623 4.494 1.00 0.00 H new ATOM 1145 N THR A 72 -17.994 16.604 -2.937 1.00 0.00 N ATOM 1146 CA THR A 72 -17.318 15.740 -3.896 1.00 0.00 C ATOM 1147 C THR A 72 -15.889 15.502 -3.371 1.00 0.00 C ATOM 1148 O THR A 72 -15.116 16.463 -3.223 1.00 0.00 O ATOM 1149 CB THR A 72 -17.290 16.414 -5.316 1.00 0.00 C ATOM 1150 OG1 THR A 72 -18.624 16.789 -5.706 1.00 0.00 O ATOM 1151 CG2 THR A 72 -16.706 15.488 -6.403 1.00 0.00 C ATOM 0 H THR A 72 -17.422 17.396 -2.644 1.00 0.00 H new ATOM 0 HA THR A 72 -17.844 14.791 -4.001 1.00 0.00 H new ATOM 0 HB THR A 72 -16.645 17.289 -5.234 1.00 0.00 H new ATOM 0 HG1 THR A 72 -18.600 17.210 -6.591 1.00 0.00 H new ATOM 0 HG21 THR A 72 -16.711 16.005 -7.363 1.00 0.00 H new ATOM 0 HG22 THR A 72 -15.683 15.220 -6.141 1.00 0.00 H new ATOM 0 HG23 THR A 72 -17.311 14.584 -6.475 1.00 0.00 H new ATOM 1159 N ALA A 73 -15.574 14.239 -3.038 1.00 0.00 N ATOM 1160 CA ALA A 73 -14.260 13.831 -2.508 1.00 0.00 C ATOM 1161 C ALA A 73 -13.143 14.050 -3.547 1.00 0.00 C ATOM 1162 O ALA A 73 -13.399 13.967 -4.749 1.00 0.00 O ATOM 1163 CB ALA A 73 -14.325 12.359 -2.082 1.00 0.00 C ATOM 0 H ALA A 73 -16.231 13.464 -3.130 1.00 0.00 H new ATOM 0 HA ALA A 73 -14.021 14.450 -1.643 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -13.356 12.051 -1.689 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -15.085 12.237 -1.310 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -14.580 11.742 -2.943 1.00 0.00 H new ATOM 1169 N ASP A 74 -11.914 14.305 -3.068 1.00 0.00 N ATOM 1170 CA ASP A 74 -10.733 14.520 -3.936 1.00 0.00 C ATOM 1171 C ASP A 74 -10.352 13.189 -4.601 1.00 0.00 C ATOM 1172 O ASP A 74 -9.985 13.134 -5.776 1.00 0.00 O ATOM 1173 CB ASP A 74 -9.554 15.079 -3.095 1.00 0.00 C ATOM 1174 CG ASP A 74 -8.309 15.433 -3.935 1.00 0.00 C ATOM 1175 OD1 ASP A 74 -7.443 14.555 -4.145 1.00 0.00 O ATOM 1176 OD2 ASP A 74 -8.188 16.594 -4.392 1.00 0.00 O ATOM 0 H ASP A 74 -11.706 14.369 -2.071 1.00 0.00 H new ATOM 0 HA ASP A 74 -10.968 15.248 -4.712 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -9.888 15.970 -2.563 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -9.276 14.343 -2.341 1.00 0.00 H new ATOM 1181 N LYS A 75 -10.463 12.118 -3.799 1.00 0.00 N ATOM 1182 CA LYS A 75 -10.365 10.738 -4.252 1.00 0.00 C ATOM 1183 C LYS A 75 -11.590 9.971 -3.701 1.00 0.00 C ATOM 1184 O LYS A 75 -11.576 9.510 -2.556 1.00 0.00 O ATOM 1185 CB LYS A 75 -8.996 10.065 -3.860 1.00 0.00 C ATOM 1186 CG LYS A 75 -8.548 10.192 -2.378 1.00 0.00 C ATOM 1187 CD LYS A 75 -7.920 11.560 -2.006 1.00 0.00 C ATOM 1188 CE LYS A 75 -6.465 11.745 -2.478 1.00 0.00 C ATOM 1189 NZ LYS A 75 -6.322 11.802 -3.952 1.00 0.00 N ATOM 0 H LYS A 75 -10.627 12.199 -2.796 1.00 0.00 H new ATOM 0 HA LYS A 75 -10.377 10.709 -5.342 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -9.057 9.005 -4.106 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -8.215 10.494 -4.488 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -9.411 10.017 -1.736 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -7.825 9.405 -2.162 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -8.531 12.354 -2.434 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -7.955 11.679 -0.923 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -6.066 12.663 -2.047 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -5.860 10.923 -2.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -5.433 12.284 -4.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -6.309 10.836 -4.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -7.123 12.326 -4.358 1.00 0.00 H new ATOM 1203 N PRO A 76 -12.713 9.881 -4.501 1.00 0.00 N ATOM 1204 CA PRO A 76 -13.911 9.074 -4.120 1.00 0.00 C ATOM 1205 C PRO A 76 -13.629 7.547 -4.136 1.00 0.00 C ATOM 1206 O PRO A 76 -14.481 6.740 -3.776 1.00 0.00 O ATOM 1207 CB PRO A 76 -14.959 9.497 -5.181 1.00 0.00 C ATOM 1208 CG PRO A 76 -14.155 9.924 -6.367 1.00 0.00 C ATOM 1209 CD PRO A 76 -12.920 10.582 -5.804 1.00 0.00 C ATOM 0 HA PRO A 76 -14.242 9.257 -3.098 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -15.624 8.670 -5.431 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -15.586 10.310 -4.815 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -13.894 9.070 -6.992 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -14.717 10.617 -6.993 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -12.063 10.459 -6.466 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -13.064 11.653 -5.665 1.00 0.00 H new ATOM 1217 N MET A 77 -12.419 7.184 -4.578 1.00 0.00 N ATOM 1218 CA MET A 77 -11.862 5.836 -4.452 1.00 0.00 C ATOM 1219 C MET A 77 -10.353 5.994 -4.242 1.00 0.00 C ATOM 1220 O MET A 77 -9.640 6.411 -5.162 1.00 0.00 O ATOM 1221 CB MET A 77 -12.169 4.994 -5.717 1.00 0.00 C ATOM 1222 CG MET A 77 -11.711 3.531 -5.630 1.00 0.00 C ATOM 1223 SD MET A 77 -12.014 2.614 -7.157 1.00 0.00 S ATOM 1224 CE MET A 77 -11.606 0.941 -6.665 1.00 0.00 C ATOM 0 H MET A 77 -11.787 7.836 -5.043 1.00 0.00 H new ATOM 0 HA MET A 77 -12.309 5.307 -3.610 1.00 0.00 H new ATOM 0 HB2 MET A 77 -13.243 5.016 -5.901 1.00 0.00 H new ATOM 0 HB3 MET A 77 -11.688 5.462 -6.576 1.00 0.00 H new ATOM 0 HG2 MET A 77 -10.646 3.501 -5.398 1.00 0.00 H new ATOM 0 HG3 MET A 77 -12.230 3.040 -4.807 1.00 0.00 H new ATOM 0 HE1 MET A 77 -11.610 0.293 -7.541 1.00 0.00 H new ATOM 0 HE2 MET A 77 -10.617 0.927 -6.208 1.00 0.00 H new ATOM 0 HE3 MET A 77 -12.343 0.583 -5.946 1.00 0.00 H new ATOM 1234 N VAL A 78 -9.882 5.712 -3.017 1.00 0.00 N ATOM 1235 CA VAL A 78 -8.482 5.951 -2.639 1.00 0.00 C ATOM 1236 C VAL A 78 -7.529 4.966 -3.343 1.00 0.00 C ATOM 1237 O VAL A 78 -7.610 3.751 -3.114 1.00 0.00 O ATOM 1238 CB VAL A 78 -8.265 5.872 -1.085 1.00 0.00 C ATOM 1239 CG1 VAL A 78 -6.756 5.935 -0.736 1.00 0.00 C ATOM 1240 CG2 VAL A 78 -9.067 6.985 -0.360 1.00 0.00 C ATOM 0 H VAL A 78 -10.453 5.317 -2.270 1.00 0.00 H new ATOM 0 HA VAL A 78 -8.249 6.964 -2.966 1.00 0.00 H new ATOM 0 HB VAL A 78 -8.643 4.912 -0.733 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -6.630 5.879 0.345 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -6.239 5.098 -1.206 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -6.337 6.872 -1.102 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -8.902 6.911 0.715 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -8.734 7.961 -0.712 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -10.129 6.865 -0.573 1.00 0.00 H new ATOM 1250 N GLY A 79 -6.661 5.533 -4.207 1.00 0.00 N ATOM 1251 CA GLY A 79 -5.549 4.815 -4.837 1.00 0.00 C ATOM 1252 C GLY A 79 -5.940 3.522 -5.546 1.00 0.00 C ATOM 1253 O GLY A 79 -5.489 2.452 -5.127 1.00 0.00 O ATOM 0 H GLY A 79 -6.719 6.513 -4.485 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -5.070 5.477 -5.558 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -4.806 4.584 -4.074 1.00 0.00 H new ATOM 1257 N PRO A 80 -6.780 3.571 -6.620 1.00 0.00 N ATOM 1258 CA PRO A 80 -7.113 2.384 -7.407 1.00 0.00 C ATOM 1259 C PRO A 80 -6.019 2.122 -8.461 1.00 0.00 C ATOM 1260 O PRO A 80 -6.163 2.466 -9.635 1.00 0.00 O ATOM 1261 CB PRO A 80 -8.483 2.755 -8.005 1.00 0.00 C ATOM 1262 CG PRO A 80 -8.437 4.242 -8.194 1.00 0.00 C ATOM 1263 CD PRO A 80 -7.463 4.783 -7.155 1.00 0.00 C ATOM 0 HA PRO A 80 -7.164 1.452 -6.843 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -8.652 2.242 -8.952 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -9.295 2.467 -7.338 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -8.108 4.494 -9.202 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -9.426 4.680 -8.063 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -6.750 5.476 -7.602 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -7.984 5.326 -6.367 1.00 0.00 H new ATOM 1271 N ASP A 81 -4.904 1.557 -7.998 1.00 0.00 N ATOM 1272 CA ASP A 81 -3.695 1.384 -8.806 1.00 0.00 C ATOM 1273 C ASP A 81 -2.839 0.230 -8.263 1.00 0.00 C ATOM 1274 O ASP A 81 -2.810 -0.022 -7.054 1.00 0.00 O ATOM 1275 CB ASP A 81 -2.892 2.715 -8.822 1.00 0.00 C ATOM 1276 CG ASP A 81 -1.579 2.632 -9.615 1.00 0.00 C ATOM 1277 OD1 ASP A 81 -1.634 2.452 -10.852 1.00 0.00 O ATOM 1278 OD2 ASP A 81 -0.493 2.723 -9.005 1.00 0.00 O ATOM 0 H ASP A 81 -4.813 1.204 -7.045 1.00 0.00 H new ATOM 0 HA ASP A 81 -3.978 1.129 -9.827 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -3.515 3.501 -9.249 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -2.669 3.007 -7.796 1.00 0.00 H new ATOM 1283 N GLU A 82 -2.136 -0.443 -9.188 1.00 0.00 N ATOM 1284 CA GLU A 82 -1.243 -1.573 -8.877 1.00 0.00 C ATOM 1285 C GLU A 82 0.104 -1.037 -8.362 1.00 0.00 C ATOM 1286 O GLU A 82 0.908 -0.504 -9.134 1.00 0.00 O ATOM 1287 CB GLU A 82 -1.042 -2.502 -10.123 1.00 0.00 C ATOM 1288 CG GLU A 82 -2.268 -3.366 -10.499 1.00 0.00 C ATOM 1289 CD GLU A 82 -3.519 -2.542 -10.833 1.00 0.00 C ATOM 1290 OE1 GLU A 82 -3.475 -1.742 -11.794 1.00 0.00 O ATOM 1291 OE2 GLU A 82 -4.541 -2.667 -10.133 1.00 0.00 O ATOM 0 H GLU A 82 -2.171 -0.217 -10.182 1.00 0.00 H new ATOM 0 HA GLU A 82 -1.705 -2.179 -8.098 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -0.776 -1.883 -10.980 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -0.196 -3.162 -9.932 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -2.014 -3.989 -11.356 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -2.496 -4.039 -9.672 1.00 0.00 H new ATOM 1298 N VAL A 83 0.328 -1.181 -7.050 1.00 0.00 N ATOM 1299 CA VAL A 83 1.553 -0.707 -6.381 1.00 0.00 C ATOM 1300 C VAL A 83 2.670 -1.723 -6.613 1.00 0.00 C ATOM 1301 O VAL A 83 2.463 -2.901 -6.378 1.00 0.00 O ATOM 1302 CB VAL A 83 1.301 -0.477 -4.840 1.00 0.00 C ATOM 1303 CG1 VAL A 83 2.603 -0.197 -4.053 1.00 0.00 C ATOM 1304 CG2 VAL A 83 0.278 0.661 -4.637 1.00 0.00 C ATOM 0 H VAL A 83 -0.335 -1.630 -6.418 1.00 0.00 H new ATOM 0 HA VAL A 83 1.849 0.253 -6.804 1.00 0.00 H new ATOM 0 HB VAL A 83 0.894 -1.404 -4.437 1.00 0.00 H new ATOM 0 HG11 VAL A 83 2.366 -0.047 -3.000 1.00 0.00 H new ATOM 0 HG12 VAL A 83 3.280 -1.045 -4.156 1.00 0.00 H new ATOM 0 HG13 VAL A 83 3.082 0.699 -4.448 1.00 0.00 H new ATOM 0 HG21 VAL A 83 0.110 0.813 -3.571 1.00 0.00 H new ATOM 0 HG22 VAL A 83 0.664 1.580 -5.078 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -0.663 0.395 -5.118 1.00 0.00 H new ATOM 1314 N THR A 84 3.835 -1.265 -7.093 1.00 0.00 N ATOM 1315 CA THR A 84 4.956 -2.148 -7.459 1.00 0.00 C ATOM 1316 C THR A 84 6.129 -1.967 -6.478 1.00 0.00 C ATOM 1317 O THR A 84 6.621 -0.848 -6.290 1.00 0.00 O ATOM 1318 CB THR A 84 5.445 -1.842 -8.917 1.00 0.00 C ATOM 1319 OG1 THR A 84 4.323 -1.783 -9.808 1.00 0.00 O ATOM 1320 CG2 THR A 84 6.442 -2.899 -9.428 1.00 0.00 C ATOM 0 H THR A 84 4.028 -0.274 -7.239 1.00 0.00 H new ATOM 0 HA THR A 84 4.603 -3.178 -7.409 1.00 0.00 H new ATOM 0 HB THR A 84 5.957 -0.880 -8.890 1.00 0.00 H new ATOM 0 HG1 THR A 84 4.636 -1.590 -10.716 1.00 0.00 H new ATOM 0 HG21 THR A 84 6.753 -2.646 -10.441 1.00 0.00 H new ATOM 0 HG22 THR A 84 7.315 -2.921 -8.775 1.00 0.00 H new ATOM 0 HG23 THR A 84 5.965 -3.879 -9.429 1.00 0.00 H new ATOM 1328 N VAL A 85 6.559 -3.075 -5.854 1.00 0.00 N ATOM 1329 CA VAL A 85 7.765 -3.107 -5.006 1.00 0.00 C ATOM 1330 C VAL A 85 8.833 -3.991 -5.666 1.00 0.00 C ATOM 1331 O VAL A 85 8.567 -5.155 -5.996 1.00 0.00 O ATOM 1332 CB VAL A 85 7.449 -3.582 -3.527 1.00 0.00 C ATOM 1333 CG1 VAL A 85 8.736 -3.788 -2.689 1.00 0.00 C ATOM 1334 CG2 VAL A 85 6.508 -2.566 -2.827 1.00 0.00 C ATOM 0 H VAL A 85 6.082 -3.974 -5.922 1.00 0.00 H new ATOM 0 HA VAL A 85 8.148 -2.090 -4.920 1.00 0.00 H new ATOM 0 HB VAL A 85 6.951 -4.549 -3.596 1.00 0.00 H new ATOM 0 HG11 VAL A 85 8.468 -4.113 -1.684 1.00 0.00 H new ATOM 0 HG12 VAL A 85 9.360 -4.547 -3.161 1.00 0.00 H new ATOM 0 HG13 VAL A 85 9.287 -2.849 -2.632 1.00 0.00 H new ATOM 0 HG21 VAL A 85 6.299 -2.904 -1.812 1.00 0.00 H new ATOM 0 HG22 VAL A 85 6.989 -1.589 -2.792 1.00 0.00 H new ATOM 0 HG23 VAL A 85 5.574 -2.491 -3.384 1.00 0.00 H new ATOM 1344 N ASP A 86 10.012 -3.399 -5.909 1.00 0.00 N ATOM 1345 CA ASP A 86 11.211 -4.108 -6.394 1.00 0.00 C ATOM 1346 C ASP A 86 12.103 -4.392 -5.172 1.00 0.00 C ATOM 1347 O ASP A 86 11.937 -3.758 -4.127 1.00 0.00 O ATOM 1348 CB ASP A 86 11.961 -3.204 -7.428 1.00 0.00 C ATOM 1349 CG ASP A 86 13.067 -3.907 -8.259 1.00 0.00 C ATOM 1350 OD1 ASP A 86 14.068 -4.381 -7.680 1.00 0.00 O ATOM 1351 OD2 ASP A 86 12.971 -3.944 -9.511 1.00 0.00 O ATOM 0 H ASP A 86 10.164 -2.400 -5.773 1.00 0.00 H new ATOM 0 HA ASP A 86 10.948 -5.043 -6.888 1.00 0.00 H new ATOM 0 HB2 ASP A 86 11.227 -2.784 -8.116 1.00 0.00 H new ATOM 0 HB3 ASP A 86 12.411 -2.368 -6.893 1.00 0.00 H new ATOM 1356 N SER A 87 13.047 -5.331 -5.312 1.00 0.00 N ATOM 1357 CA SER A 87 14.053 -5.644 -4.274 1.00 0.00 C ATOM 1358 C SER A 87 14.911 -4.410 -3.894 1.00 0.00 C ATOM 1359 O SER A 87 15.365 -4.279 -2.750 1.00 0.00 O ATOM 1360 CB SER A 87 14.957 -6.779 -4.755 1.00 0.00 C ATOM 1361 OG SER A 87 14.190 -7.914 -5.108 1.00 0.00 O ATOM 0 H SER A 87 13.140 -5.902 -6.152 1.00 0.00 H new ATOM 0 HA SER A 87 13.513 -5.952 -3.378 1.00 0.00 H new ATOM 0 HB2 SER A 87 15.540 -6.447 -5.614 1.00 0.00 H new ATOM 0 HB3 SER A 87 15.666 -7.043 -3.971 1.00 0.00 H new ATOM 0 HG SER A 87 13.814 -8.319 -4.299 1.00 0.00 H new ATOM 1367 N LYS A 88 15.094 -3.512 -4.873 1.00 0.00 N ATOM 1368 CA LYS A 88 15.872 -2.264 -4.727 1.00 0.00 C ATOM 1369 C LYS A 88 15.202 -1.291 -3.735 1.00 0.00 C ATOM 1370 O LYS A 88 15.891 -0.529 -3.051 1.00 0.00 O ATOM 1371 CB LYS A 88 16.045 -1.594 -6.117 1.00 0.00 C ATOM 1372 CG LYS A 88 16.696 -2.515 -7.170 1.00 0.00 C ATOM 1373 CD LYS A 88 16.748 -1.891 -8.585 1.00 0.00 C ATOM 1374 CE LYS A 88 17.076 -2.935 -9.665 1.00 0.00 C ATOM 1375 NZ LYS A 88 16.047 -4.014 -9.721 1.00 0.00 N ATOM 0 H LYS A 88 14.700 -3.631 -5.806 1.00 0.00 H new ATOM 0 HA LYS A 88 16.852 -2.515 -4.322 1.00 0.00 H new ATOM 0 HB2 LYS A 88 15.069 -1.274 -6.481 1.00 0.00 H new ATOM 0 HB3 LYS A 88 16.654 -0.697 -6.005 1.00 0.00 H new ATOM 0 HG2 LYS A 88 17.709 -2.759 -6.851 1.00 0.00 H new ATOM 0 HG3 LYS A 88 16.141 -3.452 -7.215 1.00 0.00 H new ATOM 0 HD2 LYS A 88 15.789 -1.425 -8.811 1.00 0.00 H new ATOM 0 HD3 LYS A 88 17.499 -1.101 -8.605 1.00 0.00 H new ATOM 0 HE2 LYS A 88 17.143 -2.445 -10.636 1.00 0.00 H new ATOM 0 HE3 LYS A 88 18.053 -3.374 -9.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 16.516 -4.942 -9.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 15.409 -3.928 -8.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 15.498 -3.925 -10.600 1.00 0.00 H new ATOM 1389 N ASN A 89 13.852 -1.321 -3.673 1.00 0.00 N ATOM 1390 CA ASN A 89 13.059 -0.504 -2.717 1.00 0.00 C ATOM 1391 C ASN A 89 12.290 -1.402 -1.717 1.00 0.00 C ATOM 1392 O ASN A 89 11.340 -0.953 -1.072 1.00 0.00 O ATOM 1393 CB ASN A 89 12.089 0.436 -3.487 1.00 0.00 C ATOM 1394 CG ASN A 89 10.996 -0.296 -4.269 1.00 0.00 C ATOM 1395 OD1 ASN A 89 11.162 -0.609 -5.441 1.00 0.00 O ATOM 1396 ND2 ASN A 89 9.884 -0.578 -3.620 1.00 0.00 N ATOM 0 H ASN A 89 13.280 -1.908 -4.280 1.00 0.00 H new ATOM 0 HA ASN A 89 13.748 0.112 -2.139 1.00 0.00 H new ATOM 0 HB2 ASN A 89 11.619 1.116 -2.776 1.00 0.00 H new ATOM 0 HB3 ASN A 89 12.667 1.049 -4.179 1.00 0.00 H new ATOM 0 HD21 ASN A 89 9.128 -1.072 -4.094 1.00 0.00 H new ATOM 0 HD22 ASN A 89 9.779 -0.302 -2.644 1.00 0.00 H new ATOM 1403 N PHE A 90 12.732 -2.663 -1.581 1.00 0.00 N ATOM 1404 CA PHE A 90 12.035 -3.685 -0.765 1.00 0.00 C ATOM 1405 C PHE A 90 12.224 -3.465 0.744 1.00 0.00 C ATOM 1406 O PHE A 90 11.340 -3.789 1.532 1.00 0.00 O ATOM 1407 CB PHE A 90 12.520 -5.093 -1.171 1.00 0.00 C ATOM 1408 CG PHE A 90 11.841 -6.236 -0.426 1.00 0.00 C ATOM 1409 CD1 PHE A 90 10.523 -6.573 -0.706 1.00 0.00 C ATOM 1410 CD2 PHE A 90 12.505 -6.933 0.575 1.00 0.00 C ATOM 1411 CE1 PHE A 90 9.889 -7.580 -0.018 1.00 0.00 C ATOM 1412 CE2 PHE A 90 11.869 -7.933 1.265 1.00 0.00 C ATOM 1413 CZ PHE A 90 10.559 -8.257 0.969 1.00 0.00 C ATOM 0 H PHE A 90 13.580 -3.008 -2.030 1.00 0.00 H new ATOM 0 HA PHE A 90 10.967 -3.592 -0.963 1.00 0.00 H new ATOM 0 HB2 PHE A 90 12.356 -5.225 -2.240 1.00 0.00 H new ATOM 0 HB3 PHE A 90 13.595 -5.155 -1.003 1.00 0.00 H new ATOM 0 HD1 PHE A 90 9.988 -6.036 -1.476 1.00 0.00 H new ATOM 0 HD2 PHE A 90 13.529 -6.686 0.812 1.00 0.00 H new ATOM 0 HE1 PHE A 90 8.867 -7.837 -0.254 1.00 0.00 H new ATOM 0 HE2 PHE A 90 12.394 -8.469 2.042 1.00 0.00 H new ATOM 0 HZ PHE A 90 10.062 -9.045 1.516 1.00 0.00 H new ATOM 1423 N LEU A 91 13.389 -2.946 1.130 1.00 0.00 N ATOM 1424 CA LEU A 91 13.712 -2.646 2.543 1.00 0.00 C ATOM 1425 C LEU A 91 12.979 -1.369 2.979 1.00 0.00 C ATOM 1426 O LEU A 91 12.747 -1.146 4.175 1.00 0.00 O ATOM 1427 CB LEU A 91 15.250 -2.511 2.752 1.00 0.00 C ATOM 1428 CG LEU A 91 16.094 -3.830 2.615 1.00 0.00 C ATOM 1429 CD1 LEU A 91 15.583 -4.902 3.599 1.00 0.00 C ATOM 1430 CD2 LEU A 91 16.117 -4.370 1.160 1.00 0.00 C ATOM 0 H LEU A 91 14.141 -2.718 0.480 1.00 0.00 H new ATOM 0 HA LEU A 91 13.374 -3.475 3.165 1.00 0.00 H new ATOM 0 HB2 LEU A 91 15.630 -1.786 2.032 1.00 0.00 H new ATOM 0 HB3 LEU A 91 15.424 -2.096 3.745 1.00 0.00 H new ATOM 0 HG LEU A 91 17.124 -3.584 2.871 1.00 0.00 H new ATOM 0 HD11 LEU A 91 16.178 -5.809 3.491 1.00 0.00 H new ATOM 0 HD12 LEU A 91 15.670 -4.530 4.620 1.00 0.00 H new ATOM 0 HD13 LEU A 91 14.538 -5.126 3.383 1.00 0.00 H new ATOM 0 HD21 LEU A 91 16.713 -5.282 1.120 1.00 0.00 H new ATOM 0 HD22 LEU A 91 15.099 -4.587 0.836 1.00 0.00 H new ATOM 0 HD23 LEU A 91 16.555 -3.621 0.501 1.00 0.00 H new ATOM 1442 N ASP A 92 12.621 -0.538 1.979 1.00 0.00 N ATOM 1443 CA ASP A 92 11.736 0.621 2.161 1.00 0.00 C ATOM 1444 C ASP A 92 10.273 0.161 2.151 1.00 0.00 C ATOM 1445 O ASP A 92 9.884 -0.677 1.333 1.00 0.00 O ATOM 1446 CB ASP A 92 11.974 1.669 1.041 1.00 0.00 C ATOM 1447 CG ASP A 92 10.944 2.820 1.020 1.00 0.00 C ATOM 1448 OD1 ASP A 92 11.038 3.737 1.876 1.00 0.00 O ATOM 1449 OD2 ASP A 92 10.012 2.791 0.174 1.00 0.00 O ATOM 0 H ASP A 92 12.942 -0.657 1.018 1.00 0.00 H new ATOM 0 HA ASP A 92 11.960 1.087 3.121 1.00 0.00 H new ATOM 0 HB2 ASP A 92 12.972 2.092 1.161 1.00 0.00 H new ATOM 0 HB3 ASP A 92 11.956 1.163 0.076 1.00 0.00 H new ATOM 1454 N LYS A 93 9.486 0.697 3.077 1.00 0.00 N ATOM 1455 CA LYS A 93 8.023 0.512 3.104 1.00 0.00 C ATOM 1456 C LYS A 93 7.372 1.769 2.512 1.00 0.00 C ATOM 1457 O LYS A 93 7.995 2.834 2.488 1.00 0.00 O ATOM 1458 CB LYS A 93 7.541 0.286 4.562 1.00 0.00 C ATOM 1459 CG LYS A 93 7.891 1.454 5.523 1.00 0.00 C ATOM 1460 CD LYS A 93 7.398 1.245 6.970 1.00 0.00 C ATOM 1461 CE LYS A 93 7.754 2.439 7.882 1.00 0.00 C ATOM 1462 NZ LYS A 93 7.320 2.223 9.286 1.00 0.00 N ATOM 0 H LYS A 93 9.838 1.277 3.839 1.00 0.00 H new ATOM 0 HA LYS A 93 7.741 -0.363 2.518 1.00 0.00 H new ATOM 0 HB2 LYS A 93 6.461 0.140 4.560 1.00 0.00 H new ATOM 0 HB3 LYS A 93 7.986 -0.633 4.944 1.00 0.00 H new ATOM 0 HG2 LYS A 93 8.972 1.590 5.535 1.00 0.00 H new ATOM 0 HG3 LYS A 93 7.458 2.375 5.132 1.00 0.00 H new ATOM 0 HD2 LYS A 93 6.318 1.101 6.967 1.00 0.00 H new ATOM 0 HD3 LYS A 93 7.840 0.335 7.375 1.00 0.00 H new ATOM 0 HE2 LYS A 93 8.831 2.604 7.858 1.00 0.00 H new ATOM 0 HE3 LYS A 93 7.285 3.343 7.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 7.580 3.050 9.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 6.289 2.092 9.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 7.787 1.376 9.667 1.00 0.00 H new ATOM 1476 N GLN A 94 6.119 1.657 2.048 1.00 0.00 N ATOM 1477 CA GLN A 94 5.367 2.815 1.516 1.00 0.00 C ATOM 1478 C GLN A 94 4.241 3.194 2.491 1.00 0.00 C ATOM 1479 O GLN A 94 3.183 3.647 2.071 1.00 0.00 O ATOM 1480 CB GLN A 94 4.793 2.500 0.110 1.00 0.00 C ATOM 1481 CG GLN A 94 5.805 1.912 -0.882 1.00 0.00 C ATOM 1482 CD GLN A 94 5.237 1.679 -2.279 1.00 0.00 C ATOM 1483 OE1 GLN A 94 4.339 2.384 -2.727 1.00 0.00 O ATOM 1484 NE2 GLN A 94 5.765 0.683 -2.982 1.00 0.00 N ATOM 0 H GLN A 94 5.601 0.779 2.028 1.00 0.00 H new ATOM 0 HA GLN A 94 6.047 3.661 1.416 1.00 0.00 H new ATOM 0 HB2 GLN A 94 3.965 1.800 0.220 1.00 0.00 H new ATOM 0 HB3 GLN A 94 4.382 3.417 -0.313 1.00 0.00 H new ATOM 0 HG2 GLN A 94 6.660 2.584 -0.955 1.00 0.00 H new ATOM 0 HG3 GLN A 94 6.177 0.966 -0.489 1.00 0.00 H new ATOM 0 HE21 GLN A 94 6.511 0.115 -2.581 1.00 0.00 H new ATOM 0 HE22 GLN A 94 5.424 0.486 -3.923 1.00 0.00 H new ATOM 1493 N ASN A 95 4.514 3.015 3.807 1.00 0.00 N ATOM 1494 CA ASN A 95 3.573 3.351 4.898 1.00 0.00 C ATOM 1495 C ASN A 95 3.206 4.846 4.844 1.00 0.00 C ATOM 1496 O ASN A 95 3.998 5.696 5.254 1.00 0.00 O ATOM 1497 CB ASN A 95 4.201 2.983 6.269 1.00 0.00 C ATOM 1498 CG ASN A 95 3.277 3.242 7.467 1.00 0.00 C ATOM 1499 OD1 ASN A 95 2.480 2.250 7.836 1.00 0.00 O flip ATOM 1500 ND2 ASN A 95 3.290 4.320 8.056 1.00 0.00 N flip ATOM 0 H ASN A 95 5.398 2.631 4.140 1.00 0.00 H new ATOM 0 HA ASN A 95 2.657 2.773 4.772 1.00 0.00 H new ATOM 0 HB2 ASN A 95 4.479 1.929 6.259 1.00 0.00 H new ATOM 0 HB3 ASN A 95 5.120 3.554 6.401 1.00 0.00 H new ATOM 0 HD21 ASN A 95 3.916 5.063 7.746 1.00 0.00 H new ATOM 0 HD22 ASN A 95 2.675 4.472 8.855 1.00 0.00 H new ATOM 1507 N ARG A 96 2.025 5.145 4.304 1.00 0.00 N ATOM 1508 CA ARG A 96 1.591 6.518 4.002 1.00 0.00 C ATOM 1509 C ARG A 96 0.163 6.748 4.501 1.00 0.00 C ATOM 1510 O ARG A 96 -0.678 5.865 4.415 1.00 0.00 O ATOM 1511 CB ARG A 96 1.682 6.739 2.463 1.00 0.00 C ATOM 1512 CG ARG A 96 1.137 8.086 1.933 1.00 0.00 C ATOM 1513 CD ARG A 96 1.910 9.313 2.455 1.00 0.00 C ATOM 1514 NE ARG A 96 1.198 10.563 2.145 1.00 0.00 N ATOM 1515 CZ ARG A 96 1.434 11.762 2.708 1.00 0.00 C ATOM 1516 NH1 ARG A 96 2.382 11.920 3.631 1.00 0.00 N ATOM 1517 NH2 ARG A 96 0.699 12.800 2.345 1.00 0.00 N ATOM 0 H ARG A 96 1.332 4.437 4.060 1.00 0.00 H new ATOM 0 HA ARG A 96 2.238 7.233 4.511 1.00 0.00 H new ATOM 0 HB2 ARG A 96 2.727 6.651 2.166 1.00 0.00 H new ATOM 0 HB3 ARG A 96 1.141 5.932 1.968 1.00 0.00 H new ATOM 0 HG2 ARG A 96 1.174 8.080 0.844 1.00 0.00 H new ATOM 0 HG3 ARG A 96 0.088 8.181 2.215 1.00 0.00 H new ATOM 0 HD2 ARG A 96 2.048 9.228 3.533 1.00 0.00 H new ATOM 0 HD3 ARG A 96 2.904 9.337 2.008 1.00 0.00 H new ATOM 0 HE ARG A 96 0.461 10.516 1.442 1.00 0.00 H new ATOM 0 HH11 ARG A 96 2.946 11.123 3.924 1.00 0.00 H new ATOM 0 HH12 ARG A 96 2.543 12.838 4.044 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -0.036 12.685 1.647 1.00 0.00 H new ATOM 0 HH22 ARG A 96 0.867 13.715 2.763 1.00 0.00 H new ATOM 1531 N GLU A 97 -0.093 7.950 5.017 1.00 0.00 N ATOM 1532 CA GLU A 97 -1.440 8.409 5.338 1.00 0.00 C ATOM 1533 C GLU A 97 -2.034 9.124 4.122 1.00 0.00 C ATOM 1534 O GLU A 97 -1.470 10.124 3.654 1.00 0.00 O ATOM 1535 CB GLU A 97 -1.429 9.355 6.562 1.00 0.00 C ATOM 1536 CG GLU A 97 -1.202 8.655 7.914 1.00 0.00 C ATOM 1537 CD GLU A 97 -1.280 9.623 9.103 1.00 0.00 C ATOM 1538 OE1 GLU A 97 -2.400 10.074 9.436 1.00 0.00 O ATOM 1539 OE2 GLU A 97 -0.228 9.963 9.687 1.00 0.00 O ATOM 0 H GLU A 97 0.634 8.635 5.224 1.00 0.00 H new ATOM 0 HA GLU A 97 -2.054 7.544 5.591 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -0.648 10.102 6.420 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -2.378 9.889 6.600 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -1.947 7.869 8.041 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -0.225 8.171 7.908 1.00 0.00 H new ATOM 1546 N GLU A 98 -3.147 8.595 3.602 1.00 0.00 N ATOM 1547 CA GLU A 98 -3.864 9.209 2.489 1.00 0.00 C ATOM 1548 C GLU A 98 -5.140 9.879 3.025 1.00 0.00 C ATOM 1549 O GLU A 98 -6.039 9.209 3.555 1.00 0.00 O ATOM 1550 CB GLU A 98 -4.199 8.149 1.403 1.00 0.00 C ATOM 1551 CG GLU A 98 -4.803 8.738 0.116 1.00 0.00 C ATOM 1552 CD GLU A 98 -3.869 9.714 -0.620 1.00 0.00 C ATOM 1553 OE1 GLU A 98 -2.989 9.254 -1.391 1.00 0.00 O ATOM 1554 OE2 GLU A 98 -4.004 10.943 -0.434 1.00 0.00 O ATOM 0 H GLU A 98 -3.571 7.732 3.942 1.00 0.00 H new ATOM 0 HA GLU A 98 -3.235 9.966 2.021 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -3.289 7.605 1.149 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -4.898 7.424 1.821 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -5.064 7.922 -0.558 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -5.730 9.255 0.365 1.00 0.00 H new ATOM 1561 N THR A 99 -5.196 11.208 2.927 1.00 0.00 N ATOM 1562 CA THR A 99 -6.378 11.981 3.294 1.00 0.00 C ATOM 1563 C THR A 99 -7.258 12.156 2.054 1.00 0.00 C ATOM 1564 O THR A 99 -6.754 12.481 0.977 1.00 0.00 O ATOM 1565 CB THR A 99 -5.972 13.376 3.869 1.00 0.00 C ATOM 1566 OG1 THR A 99 -4.896 13.222 4.794 1.00 0.00 O ATOM 1567 CG2 THR A 99 -7.137 14.065 4.588 1.00 0.00 C ATOM 0 H THR A 99 -4.420 11.778 2.590 1.00 0.00 H new ATOM 0 HA THR A 99 -6.930 11.448 4.068 1.00 0.00 H new ATOM 0 HB THR A 99 -5.672 13.997 3.025 1.00 0.00 H new ATOM 0 HG1 THR A 99 -4.644 14.099 5.151 1.00 0.00 H new ATOM 0 HG21 THR A 99 -6.808 15.031 4.971 1.00 0.00 H new ATOM 0 HG22 THR A 99 -7.960 14.213 3.889 1.00 0.00 H new ATOM 0 HG23 THR A 99 -7.473 13.442 5.417 1.00 0.00 H new ATOM 1575 N VAL A 100 -8.555 11.899 2.206 1.00 0.00 N ATOM 1576 CA VAL A 100 -9.557 12.132 1.149 1.00 0.00 C ATOM 1577 C VAL A 100 -10.397 13.362 1.526 1.00 0.00 C ATOM 1578 O VAL A 100 -11.045 13.364 2.570 1.00 0.00 O ATOM 1579 CB VAL A 100 -10.426 10.825 0.875 1.00 0.00 C ATOM 1580 CG1 VAL A 100 -10.443 9.899 2.100 1.00 0.00 C ATOM 1581 CG2 VAL A 100 -11.868 11.136 0.392 1.00 0.00 C ATOM 0 H VAL A 100 -8.950 11.521 3.067 1.00 0.00 H new ATOM 0 HA VAL A 100 -9.062 12.345 0.202 1.00 0.00 H new ATOM 0 HB VAL A 100 -9.934 10.304 0.054 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -11.044 9.017 1.881 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -9.424 9.594 2.340 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -10.873 10.428 2.950 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -12.405 10.202 0.224 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -12.387 11.722 1.150 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -11.826 11.703 -0.538 1.00 0.00 H new ATOM 1591 N ILE A 101 -10.358 14.410 0.674 1.00 0.00 N ATOM 1592 CA ILE A 101 -10.918 15.734 0.997 1.00 0.00 C ATOM 1593 C ILE A 101 -12.221 15.987 0.213 1.00 0.00 C ATOM 1594 O ILE A 101 -12.219 16.155 -1.011 1.00 0.00 O ATOM 1595 CB ILE A 101 -9.856 16.870 0.729 1.00 0.00 C ATOM 1596 CG1 ILE A 101 -8.651 16.744 1.719 1.00 0.00 C ATOM 1597 CG2 ILE A 101 -10.482 18.283 0.813 1.00 0.00 C ATOM 1598 CD1 ILE A 101 -8.999 16.971 3.189 1.00 0.00 C ATOM 0 H ILE A 101 -9.938 14.359 -0.254 1.00 0.00 H new ATOM 0 HA ILE A 101 -11.164 15.751 2.059 1.00 0.00 H new ATOM 0 HB ILE A 101 -9.491 16.736 -0.289 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -8.215 15.750 1.613 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -7.884 17.461 1.428 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -9.714 19.033 0.622 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -11.273 18.375 0.069 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -10.900 18.437 1.808 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -8.100 16.863 3.797 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -9.404 17.975 3.316 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -9.741 16.238 3.505 1.00 0.00 H new ATOM 1610 N TYR A 102 -13.327 15.989 0.960 1.00 0.00 N ATOM 1611 CA TYR A 102 -14.659 16.295 0.464 1.00 0.00 C ATOM 1612 C TYR A 102 -14.808 17.802 0.380 1.00 0.00 C ATOM 1613 O TYR A 102 -15.024 18.473 1.398 1.00 0.00 O ATOM 1614 CB TYR A 102 -15.738 15.710 1.407 1.00 0.00 C ATOM 1615 CG TYR A 102 -15.712 14.181 1.527 1.00 0.00 C ATOM 1616 CD1 TYR A 102 -14.777 13.541 2.341 1.00 0.00 C ATOM 1617 CD2 TYR A 102 -16.613 13.380 0.827 1.00 0.00 C ATOM 1618 CE1 TYR A 102 -14.740 12.178 2.453 1.00 0.00 C ATOM 1619 CE2 TYR A 102 -16.575 12.007 0.944 1.00 0.00 C ATOM 1620 CZ TYR A 102 -15.643 11.418 1.752 1.00 0.00 C ATOM 1621 OH TYR A 102 -15.612 10.056 1.866 1.00 0.00 O ATOM 0 H TYR A 102 -13.314 15.770 1.956 1.00 0.00 H new ATOM 0 HA TYR A 102 -14.792 15.849 -0.522 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -15.609 16.143 2.399 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -16.721 16.018 1.050 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -14.066 14.135 2.896 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -17.350 13.841 0.185 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -14.006 11.704 3.088 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -17.280 11.398 0.398 1.00 0.00 H new ATOM 0 HH TYR A 102 -15.238 9.809 2.738 1.00 0.00 H new ATOM 1631 N SER A 103 -14.681 18.333 -0.823 1.00 0.00 N ATOM 1632 CA SER A 103 -14.850 19.755 -1.067 1.00 0.00 C ATOM 1633 C SER A 103 -16.321 19.963 -1.425 1.00 0.00 C ATOM 1634 O SER A 103 -16.951 19.031 -1.910 1.00 0.00 O ATOM 1635 CB SER A 103 -13.924 20.204 -2.213 1.00 0.00 C ATOM 1636 OG SER A 103 -12.592 19.802 -1.960 1.00 0.00 O ATOM 0 H SER A 103 -14.458 17.791 -1.658 1.00 0.00 H new ATOM 0 HA SER A 103 -14.586 20.350 -0.193 1.00 0.00 H new ATOM 0 HB2 SER A 103 -14.267 19.775 -3.155 1.00 0.00 H new ATOM 0 HB3 SER A 103 -13.969 21.288 -2.321 1.00 0.00 H new ATOM 0 HG SER A 103 -12.017 20.093 -2.698 1.00 0.00 H new ATOM 1642 N ALA A 104 -16.878 21.146 -1.157 1.00 0.00 N ATOM 1643 CA ALA A 104 -18.250 21.505 -1.588 1.00 0.00 C ATOM 1644 C ALA A 104 -18.434 21.184 -3.082 1.00 0.00 C ATOM 1645 O ALA A 104 -17.536 21.460 -3.863 1.00 0.00 O ATOM 1646 CB ALA A 104 -18.513 22.995 -1.305 1.00 0.00 C ATOM 0 H ALA A 104 -16.402 21.885 -0.639 1.00 0.00 H new ATOM 0 HA ALA A 104 -18.973 20.916 -1.023 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -19.523 23.253 -1.624 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -18.410 23.186 -0.237 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -17.793 23.602 -1.854 1.00 0.00 H new ATOM 1652 N ASN A 105 -19.556 20.533 -3.436 1.00 0.00 N ATOM 1653 CA ASN A 105 -19.859 20.100 -4.826 1.00 0.00 C ATOM 1654 C ASN A 105 -19.939 21.328 -5.755 1.00 0.00 C ATOM 1655 O ASN A 105 -20.235 22.426 -5.290 1.00 0.00 O ATOM 1656 CB ASN A 105 -21.206 19.319 -4.850 1.00 0.00 C ATOM 1657 CG ASN A 105 -21.391 18.353 -6.021 1.00 0.00 C ATOM 1658 OD1 ASN A 105 -20.809 18.507 -7.090 1.00 0.00 O ATOM 1659 ND2 ASN A 105 -22.250 17.370 -5.832 1.00 0.00 N ATOM 0 H ASN A 105 -20.287 20.288 -2.768 1.00 0.00 H new ATOM 0 HA ASN A 105 -19.062 19.445 -5.180 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -21.295 18.756 -3.921 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -22.023 20.040 -4.865 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -22.446 16.712 -6.586 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -22.718 17.268 -4.932 1.00 0.00 H new