USER MOD reduce.3.24.130724 H: found=0, std=0, add=995, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 65 THR OG1 : rot 180:sc= -0.103 USER MOD Set 1.2: A 85 TYR OH : rot -62:sc= -6.39! USER MOD Set 2.1: A 15 ASN : amide:sc= -3.55! C(o=-3.6!,f=-4.9!) USER MOD Set 2.2: A 79 LYS NZ :NH3+ -151:sc= 0 (180deg=0) USER MOD Set 3.1: A 71 MET CE :methyl -134:sc= -3.82! (180deg=-8.06!) USER MOD Set 3.2: A 81 MET CE :methyl -151:sc= -5.33! (180deg=-8.8!) USER MOD Set 4.1: A 12 TYR OH : rot 131:sc= 0.148 USER MOD Set 4.2: A 14 ASN : amide:sc= -3.27! C(o=-7.3!,f=-12!) USER MOD Set 4.3: A 53 GLN : amide:sc= -4.14! C(o=-7.3!,f=-8.7!) USER MOD Set 5.1: A 38 GLN :FLIP amide:sc= 0.658 F(o=-4.1,f=-0.8) USER MOD Set 5.2: A 63 SER OG : rot 81:sc= -1.46! USER MOD Set 6.1: A 9 HIS : no HE2:sc= -7.69! C(o=-8.8!,f=-11!) USER MOD Set 6.2: A 10 THR OG1 : rot -13:sc= -1.07 USER MOD Set 7.1: A 8 ASN : amide:sc= -0.412 K(o=-0.41,f=-3.5!) USER MOD Set 7.2: A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 93:sc= 0.0707 USER MOD Single : A 17 ASN :FLIP amide:sc= -0.616 F(o=-1.4,f=-0.62) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 137:sc= -2.49! (180deg=-4.78!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ -164:sc= -1.1 (180deg=-1.91) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot -109:sc= 1.07 USER MOD Single : A 30 TYR OH : rot -130:sc= -2.4! USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 SER OG : rot 180:sc= -0.104 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl 124:sc= -9.96! (180deg=-13.7!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 66 ASN :FLIP amide:sc= 0 F(o=-1.3,f=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 GLN :FLIP amide:sc= -0.654 F(o=-4.6!,f=-0.65) USER MOD Single : A 77 TYR OH : rot -120:sc= -3.83! USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ -143:sc= 0.55 (180deg=0.0542) USER MOD Single : A 96 MET CE :methyl -175:sc=-0.00195 (180deg=-0.0827) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot 180:sc= -0.0455 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 GLN : amide:sc= -0.0124 X(o=-0.012,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -22.017 14.047 -32.310 1.00 0.00 N ATOM 2 CA ALA A 1 -20.726 14.473 -31.699 1.00 0.00 C ATOM 3 C ALA A 1 -20.700 14.060 -30.226 1.00 0.00 C ATOM 4 O ALA A 1 -20.584 14.885 -29.341 1.00 0.00 O ATOM 5 CB ALA A 1 -20.587 15.992 -31.804 1.00 0.00 C ATOM 0 H1 ALA A 1 -22.036 14.327 -33.311 1.00 0.00 H new ATOM 0 H2 ALA A 1 -22.111 13.014 -32.238 1.00 0.00 H new ATOM 0 H3 ALA A 1 -22.806 14.503 -31.808 1.00 0.00 H new ATOM 0 HA ALA A 1 -19.900 13.996 -32.226 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -19.643 16.303 -31.357 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -20.606 16.288 -32.853 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -21.413 16.470 -31.277 1.00 0.00 H new ATOM 6 N VAL A 2 -20.808 12.788 -29.955 1.00 0.00 N ATOM 7 CA VAL A 2 -20.790 12.326 -28.540 1.00 0.00 C ATOM 8 C VAL A 2 -19.937 11.055 -28.431 1.00 0.00 C ATOM 9 O VAL A 2 -20.081 10.149 -29.228 1.00 0.00 O ATOM 10 CB VAL A 2 -22.218 12.020 -28.088 1.00 0.00 C ATOM 11 CG1 VAL A 2 -22.862 11.035 -29.064 1.00 0.00 C ATOM 12 CG2 VAL A 2 -22.187 11.402 -26.688 1.00 0.00 C ATOM 0 H VAL A 2 -20.908 12.050 -30.652 1.00 0.00 H new ATOM 0 HA VAL A 2 -20.366 13.105 -27.906 1.00 0.00 H new ATOM 0 HB VAL A 2 -22.798 12.943 -28.067 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -23.880 10.817 -28.742 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -22.883 11.473 -30.062 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -22.282 10.112 -29.085 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -23.205 11.183 -26.364 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -21.607 10.479 -26.710 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -21.727 12.103 -25.991 1.00 0.00 H new ATOM 13 N PRO A 3 -19.071 11.025 -27.448 1.00 0.00 N ATOM 14 CA PRO A 3 -18.180 9.877 -27.213 1.00 0.00 C ATOM 15 C PRO A 3 -18.938 8.758 -26.496 1.00 0.00 C ATOM 16 O PRO A 3 -18.957 8.683 -25.283 1.00 0.00 O ATOM 17 CB PRO A 3 -17.080 10.453 -26.319 1.00 0.00 C ATOM 18 CG PRO A 3 -17.684 11.702 -25.635 1.00 0.00 C ATOM 19 CD PRO A 3 -18.897 12.128 -26.483 1.00 0.00 C ATOM 0 HA PRO A 3 -17.788 9.440 -28.131 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -16.759 9.721 -25.578 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -16.201 10.719 -26.906 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -17.987 11.475 -24.613 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -16.950 12.506 -25.579 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -19.786 12.262 -25.867 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -18.715 13.076 -26.990 1.00 0.00 H new ATOM 20 N GLU A 4 -19.564 7.893 -27.238 1.00 0.00 N ATOM 21 CA GLU A 4 -20.325 6.777 -26.606 1.00 0.00 C ATOM 22 C GLU A 4 -19.414 6.015 -25.643 1.00 0.00 C ATOM 23 O GLU A 4 -18.280 6.388 -25.416 1.00 0.00 O ATOM 24 CB GLU A 4 -20.827 5.818 -27.686 1.00 0.00 C ATOM 25 CG GLU A 4 -19.653 5.369 -28.559 1.00 0.00 C ATOM 26 CD GLU A 4 -19.886 3.930 -29.023 1.00 0.00 C ATOM 27 OE1 GLU A 4 -20.604 3.217 -28.341 1.00 0.00 O ATOM 28 OE2 GLU A 4 -19.343 3.566 -30.053 1.00 0.00 O ATOM 0 H GLU A 4 -19.583 7.908 -28.258 1.00 0.00 H new ATOM 0 HA GLU A 4 -21.174 7.189 -26.060 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -21.303 4.952 -27.225 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -21.583 6.308 -28.299 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -19.553 6.029 -29.421 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -18.721 5.435 -27.997 1.00 0.00 H new ATOM 29 N THR A 5 -19.902 4.946 -25.075 1.00 0.00 N ATOM 30 CA THR A 5 -19.077 4.156 -24.131 1.00 0.00 C ATOM 31 C THR A 5 -17.928 3.489 -24.890 1.00 0.00 C ATOM 32 O THR A 5 -17.699 3.760 -26.052 1.00 0.00 O ATOM 33 CB THR A 5 -19.960 3.086 -23.494 1.00 0.00 C ATOM 34 OG1 THR A 5 -21.322 3.480 -23.594 1.00 0.00 O ATOM 35 CG2 THR A 5 -19.584 2.920 -22.026 1.00 0.00 C ATOM 0 H THR A 5 -20.844 4.587 -25.229 1.00 0.00 H new ATOM 0 HA THR A 5 -18.663 4.806 -23.360 1.00 0.00 H new ATOM 0 HB THR A 5 -19.815 2.138 -24.012 1.00 0.00 H new ATOM 0 HG1 THR A 5 -21.713 3.101 -24.409 1.00 0.00 H new ATOM 0 HG21 THR A 5 -20.215 2.156 -21.573 1.00 0.00 H new ATOM 0 HG22 THR A 5 -18.539 2.619 -21.950 1.00 0.00 H new ATOM 0 HG23 THR A 5 -19.728 3.866 -21.504 1.00 0.00 H new ATOM 36 N ARG A 6 -17.204 2.617 -24.242 1.00 0.00 N ATOM 37 CA ARG A 6 -16.071 1.933 -24.928 1.00 0.00 C ATOM 38 C ARG A 6 -16.189 0.418 -24.730 1.00 0.00 C ATOM 39 O ARG A 6 -16.646 -0.037 -23.699 1.00 0.00 O ATOM 40 CB ARG A 6 -14.749 2.425 -24.333 1.00 0.00 C ATOM 41 CG ARG A 6 -14.480 3.859 -24.795 1.00 0.00 C ATOM 42 CD ARG A 6 -13.096 4.302 -24.318 1.00 0.00 C ATOM 43 NE ARG A 6 -12.078 3.936 -25.341 1.00 0.00 N ATOM 44 CZ ARG A 6 -12.021 2.715 -25.799 1.00 0.00 C ATOM 45 NH1 ARG A 6 -11.443 1.781 -25.096 1.00 0.00 N ATOM 46 NH2 ARG A 6 -12.544 2.429 -26.961 1.00 0.00 N ATOM 0 H ARG A 6 -17.348 2.349 -23.268 1.00 0.00 H new ATOM 0 HA ARG A 6 -16.100 2.160 -25.994 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -14.791 2.385 -23.245 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -13.933 1.773 -24.645 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -14.537 3.918 -25.882 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -15.244 4.528 -24.399 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -13.086 5.379 -24.148 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -12.858 3.827 -23.366 1.00 0.00 H new ATOM 0 HE ARG A 6 -11.425 4.640 -25.684 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -11.035 2.005 -24.188 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -11.399 0.827 -25.454 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -12.997 3.160 -27.510 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -12.500 1.475 -27.319 1.00 0.00 H new ATOM 47 N PRO A 7 -15.769 -0.322 -25.728 1.00 0.00 N ATOM 48 CA PRO A 7 -15.807 -1.795 -25.700 1.00 0.00 C ATOM 49 C PRO A 7 -14.666 -2.345 -24.844 1.00 0.00 C ATOM 50 O PRO A 7 -13.630 -1.726 -24.699 1.00 0.00 O ATOM 51 CB PRO A 7 -15.643 -2.188 -27.169 1.00 0.00 C ATOM 52 CG PRO A 7 -14.970 -0.986 -27.870 1.00 0.00 C ATOM 53 CD PRO A 7 -15.216 0.244 -26.975 1.00 0.00 C ATOM 0 HA PRO A 7 -16.723 -2.194 -25.263 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -15.032 -3.085 -27.265 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -16.609 -2.410 -27.622 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -13.902 -1.162 -28.000 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -15.391 -0.832 -28.863 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -14.293 0.792 -26.789 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -15.913 0.942 -27.439 1.00 0.00 H new ATOM 54 N ASN A 8 -14.853 -3.499 -24.261 1.00 0.00 N ATOM 55 CA ASN A 8 -13.783 -4.077 -23.400 1.00 0.00 C ATOM 56 C ASN A 8 -13.812 -5.605 -23.471 1.00 0.00 C ATOM 57 O ASN A 8 -13.422 -6.286 -22.542 1.00 0.00 O ATOM 58 CB ASN A 8 -14.019 -3.637 -21.957 1.00 0.00 C ATOM 59 CG ASN A 8 -12.816 -2.837 -21.460 1.00 0.00 C ATOM 60 OD1 ASN A 8 -11.793 -2.783 -22.115 1.00 0.00 O ATOM 61 ND2 ASN A 8 -12.897 -2.208 -20.320 1.00 0.00 N ATOM 0 H ASN A 8 -15.698 -4.064 -24.344 1.00 0.00 H new ATOM 0 HA ASN A 8 -12.812 -3.726 -23.749 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -14.922 -3.030 -21.895 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -14.176 -4.509 -21.322 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -12.101 -1.670 -19.977 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -13.756 -2.254 -19.772 1.00 0.00 H new ATOM 62 N HIS A 9 -14.273 -6.148 -24.561 1.00 0.00 N ATOM 63 CA HIS A 9 -14.330 -7.635 -24.694 1.00 0.00 C ATOM 64 C HIS A 9 -15.373 -8.192 -23.708 1.00 0.00 C ATOM 65 O HIS A 9 -15.538 -9.389 -23.569 1.00 0.00 O ATOM 66 CB HIS A 9 -12.920 -8.212 -24.418 1.00 0.00 C ATOM 67 CG HIS A 9 -12.995 -9.504 -23.641 1.00 0.00 C ATOM 68 ND1 HIS A 9 -12.606 -9.590 -22.314 1.00 0.00 N ATOM 69 CD2 HIS A 9 -13.408 -10.765 -23.993 1.00 0.00 C ATOM 70 CE1 HIS A 9 -12.794 -10.862 -21.918 1.00 0.00 C ATOM 71 NE2 HIS A 9 -13.281 -11.620 -22.904 1.00 0.00 N ATOM 0 H HIS A 9 -14.614 -5.628 -25.369 1.00 0.00 H new ATOM 0 HA HIS A 9 -14.631 -7.924 -25.701 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -12.404 -8.384 -25.363 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -12.330 -7.484 -23.860 1.00 0.00 H new ATOM 0 HD1 HIS A 9 -12.243 -8.828 -21.742 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -13.776 -11.050 -24.968 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -12.578 -11.226 -20.924 1.00 0.00 H new ATOM 72 N THR A 10 -16.086 -7.332 -23.031 1.00 0.00 N ATOM 73 CA THR A 10 -17.114 -7.812 -22.065 1.00 0.00 C ATOM 74 C THR A 10 -18.139 -6.705 -21.819 1.00 0.00 C ATOM 75 O THR A 10 -17.817 -5.534 -21.833 1.00 0.00 O ATOM 76 CB THR A 10 -16.436 -8.180 -20.745 1.00 0.00 C ATOM 77 OG1 THR A 10 -15.555 -9.275 -20.955 1.00 0.00 O ATOM 78 CG2 THR A 10 -17.500 -8.565 -19.720 1.00 0.00 C ATOM 0 H THR A 10 -16.000 -6.318 -23.106 1.00 0.00 H new ATOM 0 HA THR A 10 -17.617 -8.688 -22.474 1.00 0.00 H new ATOM 0 HB THR A 10 -15.868 -7.327 -20.374 1.00 0.00 H new ATOM 0 HG1 THR A 10 -15.738 -9.679 -21.829 1.00 0.00 H new ATOM 0 HG21 THR A 10 -17.019 -8.828 -18.778 1.00 0.00 H new ATOM 0 HG22 THR A 10 -18.174 -7.723 -19.561 1.00 0.00 H new ATOM 0 HG23 THR A 10 -18.068 -9.419 -20.088 1.00 0.00 H new ATOM 79 N ILE A 11 -19.372 -7.065 -21.590 1.00 0.00 N ATOM 80 CA ILE A 11 -20.412 -6.027 -21.341 1.00 0.00 C ATOM 81 C ILE A 11 -21.042 -6.253 -19.965 1.00 0.00 C ATOM 82 O ILE A 11 -20.834 -7.271 -19.339 1.00 0.00 O ATOM 83 CB ILE A 11 -21.481 -6.103 -22.434 1.00 0.00 C ATOM 84 CG1 ILE A 11 -22.474 -7.229 -22.116 1.00 0.00 C ATOM 85 CG2 ILE A 11 -20.800 -6.380 -23.775 1.00 0.00 C ATOM 86 CD1 ILE A 11 -23.286 -7.578 -23.367 1.00 0.00 C ATOM 0 H ILE A 11 -19.704 -8.029 -21.565 1.00 0.00 H new ATOM 0 HA ILE A 11 -19.956 -5.037 -21.361 1.00 0.00 H new ATOM 0 HB ILE A 11 -22.023 -5.159 -22.482 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -21.937 -8.110 -21.763 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -23.143 -6.920 -21.313 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -21.553 -6.436 -24.561 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -20.100 -5.576 -24.000 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -20.261 -7.326 -23.721 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -23.989 -8.378 -23.133 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -23.836 -6.698 -23.701 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -22.612 -7.907 -24.158 1.00 0.00 H new ATOM 87 N TYR A 12 -21.813 -5.317 -19.487 1.00 0.00 N ATOM 88 CA TYR A 12 -22.451 -5.500 -18.157 1.00 0.00 C ATOM 89 C TYR A 12 -23.956 -5.273 -18.271 1.00 0.00 C ATOM 90 O TYR A 12 -24.409 -4.229 -18.698 1.00 0.00 O ATOM 91 CB TYR A 12 -21.867 -4.508 -17.149 1.00 0.00 C ATOM 92 CG TYR A 12 -22.057 -5.051 -15.752 1.00 0.00 C ATOM 93 CD1 TYR A 12 -23.327 -5.462 -15.324 1.00 0.00 C ATOM 94 CD2 TYR A 12 -20.963 -5.153 -14.884 1.00 0.00 C ATOM 95 CE1 TYR A 12 -23.503 -5.974 -14.038 1.00 0.00 C ATOM 96 CE2 TYR A 12 -21.139 -5.667 -13.593 1.00 0.00 C ATOM 97 CZ TYR A 12 -22.409 -6.078 -13.170 1.00 0.00 C ATOM 98 OH TYR A 12 -22.580 -6.587 -11.899 1.00 0.00 O ATOM 0 H TYR A 12 -22.027 -4.438 -19.958 1.00 0.00 H new ATOM 0 HA TYR A 12 -22.258 -6.516 -17.814 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -20.807 -4.349 -17.349 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -22.359 -3.540 -17.246 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -24.172 -5.382 -15.992 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -19.984 -4.835 -15.210 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -24.483 -6.290 -13.712 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -20.295 -5.746 -12.924 1.00 0.00 H new ATOM 0 HH TYR A 12 -21.903 -7.275 -11.728 1.00 0.00 H new ATOM 99 N ILE A 13 -24.732 -6.240 -17.873 1.00 0.00 N ATOM 100 CA ILE A 13 -26.208 -6.086 -17.935 1.00 0.00 C ATOM 101 C ILE A 13 -26.747 -5.905 -16.513 1.00 0.00 C ATOM 102 O ILE A 13 -26.370 -6.618 -15.602 1.00 0.00 O ATOM 103 CB ILE A 13 -26.821 -7.338 -18.559 1.00 0.00 C ATOM 104 CG1 ILE A 13 -26.554 -7.343 -20.064 1.00 0.00 C ATOM 105 CG2 ILE A 13 -28.327 -7.346 -18.309 1.00 0.00 C ATOM 106 CD1 ILE A 13 -26.210 -8.766 -20.503 1.00 0.00 C ATOM 0 H ILE A 13 -24.405 -7.134 -17.506 1.00 0.00 H new ATOM 0 HA ILE A 13 -26.467 -5.218 -18.541 1.00 0.00 H new ATOM 0 HB ILE A 13 -26.373 -8.224 -18.109 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -27.431 -6.984 -20.603 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -25.734 -6.666 -20.303 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -28.765 -8.239 -18.754 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -28.518 -7.345 -17.236 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -28.775 -6.460 -18.758 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -26.018 -8.779 -21.576 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -25.322 -9.106 -19.971 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -27.045 -9.429 -20.276 1.00 0.00 H new ATOM 107 N ASN A 14 -27.622 -4.956 -16.314 1.00 0.00 N ATOM 108 CA ASN A 14 -28.179 -4.732 -14.949 1.00 0.00 C ATOM 109 C ASN A 14 -29.660 -4.360 -15.051 1.00 0.00 C ATOM 110 O ASN A 14 -30.031 -3.210 -14.925 1.00 0.00 O ATOM 111 CB ASN A 14 -27.415 -3.590 -14.273 1.00 0.00 C ATOM 112 CG ASN A 14 -28.002 -3.333 -12.884 1.00 0.00 C ATOM 113 OD1 ASN A 14 -29.102 -3.754 -12.589 1.00 0.00 O ATOM 114 ND2 ASN A 14 -27.308 -2.653 -12.011 1.00 0.00 N ATOM 0 H ASN A 14 -27.974 -4.328 -17.036 1.00 0.00 H new ATOM 0 HA ASN A 14 -28.075 -5.644 -14.361 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -26.358 -3.844 -14.191 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -27.480 -2.686 -14.879 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -27.690 -2.476 -11.082 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -26.384 -2.299 -12.258 1.00 0.00 H new ATOM 115 N ASN A 15 -30.512 -5.325 -15.277 1.00 0.00 N ATOM 116 CA ASN A 15 -31.968 -5.020 -15.381 1.00 0.00 C ATOM 117 C ASN A 15 -32.753 -6.318 -15.577 1.00 0.00 C ATOM 118 O ASN A 15 -33.659 -6.390 -16.383 1.00 0.00 O ATOM 119 CB ASN A 15 -32.215 -4.094 -16.573 1.00 0.00 C ATOM 120 CG ASN A 15 -32.302 -2.646 -16.085 1.00 0.00 C ATOM 121 OD1 ASN A 15 -31.552 -1.798 -16.526 1.00 0.00 O ATOM 122 ND2 ASN A 15 -33.193 -2.325 -15.187 1.00 0.00 N ATOM 0 H ASN A 15 -30.263 -6.307 -15.394 1.00 0.00 H new ATOM 0 HA ASN A 15 -32.298 -4.530 -14.465 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -31.409 -4.196 -17.300 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -33.138 -4.374 -17.080 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -33.259 -1.363 -14.856 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -33.823 -3.037 -14.816 1.00 0.00 H new ATOM 123 N LEU A 16 -32.416 -7.344 -14.844 1.00 0.00 N ATOM 124 CA LEU A 16 -33.150 -8.632 -14.989 1.00 0.00 C ATOM 125 C LEU A 16 -34.152 -8.767 -13.844 1.00 0.00 C ATOM 126 O LEU A 16 -34.172 -7.968 -12.928 1.00 0.00 O ATOM 127 CB LEU A 16 -32.165 -9.803 -14.928 1.00 0.00 C ATOM 128 CG LEU A 16 -31.331 -9.862 -16.209 1.00 0.00 C ATOM 129 CD1 LEU A 16 -32.230 -10.202 -17.399 1.00 0.00 C ATOM 130 CD2 LEU A 16 -30.657 -8.510 -16.448 1.00 0.00 C ATOM 0 H LEU A 16 -31.666 -7.346 -14.153 1.00 0.00 H new ATOM 0 HA LEU A 16 -33.669 -8.645 -15.948 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -31.510 -9.691 -14.064 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -32.709 -10.738 -14.797 1.00 0.00 H new ATOM 0 HG LEU A 16 -30.568 -10.633 -16.102 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -31.630 -10.243 -18.308 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -32.703 -11.170 -17.233 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -32.998 -9.436 -17.505 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -30.064 -8.556 -17.361 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -31.418 -7.737 -16.548 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -30.008 -8.273 -15.605 1.00 0.00 H new ATOM 131 N ASN A 17 -34.978 -9.774 -13.880 1.00 0.00 N ATOM 132 CA ASN A 17 -35.965 -9.959 -12.785 1.00 0.00 C ATOM 133 C ASN A 17 -35.219 -10.343 -11.508 1.00 0.00 C ATOM 134 O ASN A 17 -34.237 -11.057 -11.545 1.00 0.00 O ATOM 135 CB ASN A 17 -36.945 -11.071 -13.160 1.00 0.00 C ATOM 136 CG ASN A 17 -38.317 -10.463 -13.453 1.00 0.00 C ATOM 137 OD1 ASN A 17 -38.409 -9.469 -14.292 1.00 0.00 O flip ATOM 138 ND2 ASN A 17 -39.315 -10.897 -12.914 1.00 0.00 N flip ATOM 0 H ASN A 17 -35.011 -10.475 -14.620 1.00 0.00 H new ATOM 0 HA ASN A 17 -36.519 -9.034 -12.626 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -36.581 -11.612 -14.033 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -37.021 -11.793 -12.347 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -39.243 -11.675 -12.258 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -40.225 -10.484 -13.118 1.00 0.00 H new ATOM 139 N GLU A 18 -35.670 -9.877 -10.380 1.00 0.00 N ATOM 140 CA GLU A 18 -34.978 -10.221 -9.110 1.00 0.00 C ATOM 141 C GLU A 18 -35.603 -11.480 -8.516 1.00 0.00 C ATOM 142 O GLU A 18 -35.845 -11.567 -7.329 1.00 0.00 O ATOM 143 CB GLU A 18 -35.123 -9.060 -8.129 1.00 0.00 C ATOM 144 CG GLU A 18 -33.968 -8.082 -8.335 1.00 0.00 C ATOM 145 CD GLU A 18 -34.425 -6.669 -7.969 1.00 0.00 C ATOM 146 OE1 GLU A 18 -35.594 -6.510 -7.655 1.00 0.00 O ATOM 147 OE2 GLU A 18 -33.600 -5.772 -8.007 1.00 0.00 O ATOM 0 H GLU A 18 -36.487 -9.274 -10.282 1.00 0.00 H new ATOM 0 HA GLU A 18 -33.921 -10.403 -9.303 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -36.076 -8.554 -8.284 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -35.122 -9.432 -7.104 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -33.117 -8.372 -7.718 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -33.634 -8.110 -9.372 1.00 0.00 H new ATOM 148 N LYS A 19 -35.866 -12.459 -9.336 1.00 0.00 N ATOM 149 CA LYS A 19 -36.474 -13.716 -8.825 1.00 0.00 C ATOM 150 C LYS A 19 -35.935 -14.908 -9.618 1.00 0.00 C ATOM 151 O LYS A 19 -36.470 -15.997 -9.558 1.00 0.00 O ATOM 152 CB LYS A 19 -37.996 -13.647 -8.979 1.00 0.00 C ATOM 153 CG LYS A 19 -38.485 -12.240 -8.626 1.00 0.00 C ATOM 154 CD LYS A 19 -39.934 -12.309 -8.138 1.00 0.00 C ATOM 155 CE LYS A 19 -40.697 -11.081 -8.636 1.00 0.00 C ATOM 156 NZ LYS A 19 -42.065 -11.070 -8.042 1.00 0.00 N ATOM 0 H LYS A 19 -35.685 -12.441 -10.340 1.00 0.00 H new ATOM 0 HA LYS A 19 -36.220 -13.838 -7.772 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -38.280 -13.896 -10.002 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -38.471 -14.382 -8.329 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -37.850 -11.806 -7.853 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -38.415 -11.590 -9.498 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -40.409 -13.219 -8.504 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -39.961 -12.351 -7.049 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -40.163 -10.172 -8.361 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -40.762 -11.096 -9.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -42.584 -10.235 -8.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -42.573 -11.932 -8.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -41.993 -11.036 -7.005 1.00 0.00 H new ATOM 157 N ILE A 20 -34.881 -14.712 -10.363 1.00 0.00 N ATOM 158 CA ILE A 20 -34.314 -15.835 -11.157 1.00 0.00 C ATOM 159 C ILE A 20 -33.168 -16.486 -10.380 1.00 0.00 C ATOM 160 O ILE A 20 -32.506 -15.853 -9.581 1.00 0.00 O ATOM 161 CB ILE A 20 -33.790 -15.303 -12.493 1.00 0.00 C ATOM 162 CG1 ILE A 20 -34.814 -14.335 -13.091 1.00 0.00 C ATOM 163 CG2 ILE A 20 -33.572 -16.471 -13.457 1.00 0.00 C ATOM 164 CD1 ILE A 20 -34.149 -12.980 -13.337 1.00 0.00 C ATOM 0 H ILE A 20 -34.390 -13.823 -10.455 1.00 0.00 H new ATOM 0 HA ILE A 20 -35.092 -16.576 -11.342 1.00 0.00 H new ATOM 0 HB ILE A 20 -32.846 -14.783 -12.332 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -35.206 -14.735 -14.026 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -35.660 -14.220 -12.414 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -33.199 -16.093 -14.409 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -32.845 -17.163 -13.032 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -34.516 -16.991 -13.618 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -34.877 -12.289 -13.763 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -33.778 -12.580 -12.393 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -33.317 -13.103 -14.030 1.00 0.00 H new ATOM 165 N LYS A 21 -32.930 -17.747 -10.609 1.00 0.00 N ATOM 166 CA LYS A 21 -31.832 -18.444 -9.888 1.00 0.00 C ATOM 167 C LYS A 21 -30.643 -18.635 -10.831 1.00 0.00 C ATOM 168 O LYS A 21 -30.810 -18.905 -12.004 1.00 0.00 O ATOM 169 CB LYS A 21 -32.326 -19.809 -9.404 1.00 0.00 C ATOM 170 CG LYS A 21 -32.663 -20.691 -10.609 1.00 0.00 C ATOM 171 CD LYS A 21 -33.715 -21.727 -10.207 1.00 0.00 C ATOM 172 CE LYS A 21 -33.096 -22.734 -9.237 1.00 0.00 C ATOM 173 NZ LYS A 21 -32.979 -22.114 -7.886 1.00 0.00 N ATOM 0 H LYS A 21 -33.451 -18.326 -11.267 1.00 0.00 H new ATOM 0 HA LYS A 21 -31.522 -17.846 -9.031 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -31.561 -20.288 -8.793 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -33.207 -19.686 -8.774 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -33.037 -20.077 -11.429 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -31.764 -21.191 -10.969 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -34.567 -21.233 -9.740 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -34.090 -22.242 -11.092 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -33.712 -23.631 -9.185 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -32.113 -23.042 -9.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -33.274 -22.800 -7.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -31.992 -21.835 -7.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -33.590 -21.274 -7.836 1.00 0.00 H new ATOM 174 N LYS A 22 -29.446 -18.492 -10.330 1.00 0.00 N ATOM 175 CA LYS A 22 -28.242 -18.660 -11.194 1.00 0.00 C ATOM 176 C LYS A 22 -28.442 -19.849 -12.133 1.00 0.00 C ATOM 177 O LYS A 22 -29.238 -20.731 -11.877 1.00 0.00 O ATOM 178 CB LYS A 22 -27.017 -18.917 -10.314 1.00 0.00 C ATOM 179 CG LYS A 22 -26.343 -17.588 -9.970 1.00 0.00 C ATOM 180 CD LYS A 22 -27.338 -16.684 -9.239 1.00 0.00 C ATOM 181 CE LYS A 22 -26.827 -15.245 -9.258 1.00 0.00 C ATOM 182 NZ LYS A 22 -27.853 -14.347 -8.656 1.00 0.00 N ATOM 0 H LYS A 22 -29.249 -18.265 -9.355 1.00 0.00 H new ATOM 0 HA LYS A 22 -28.092 -17.754 -11.781 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -27.315 -19.432 -9.401 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -26.314 -19.569 -10.833 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -25.468 -17.763 -9.345 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -25.992 -17.100 -10.879 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -28.316 -16.740 -9.717 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -27.466 -17.022 -8.211 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -25.893 -15.172 -8.702 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -26.614 -14.937 -10.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -27.506 -13.367 -8.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -28.734 -14.410 -9.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -28.035 -14.637 -7.674 1.00 0.00 H new ATOM 183 N ASP A 23 -27.721 -19.879 -13.220 1.00 0.00 N ATOM 184 CA ASP A 23 -27.861 -21.009 -14.178 1.00 0.00 C ATOM 185 C ASP A 23 -29.164 -20.862 -14.969 1.00 0.00 C ATOM 186 O ASP A 23 -29.478 -21.670 -15.820 1.00 0.00 O ATOM 187 CB ASP A 23 -27.878 -22.331 -13.408 1.00 0.00 C ATOM 188 CG ASP A 23 -26.753 -23.233 -13.920 1.00 0.00 C ATOM 189 OD1 ASP A 23 -25.629 -23.051 -13.484 1.00 0.00 O ATOM 190 OD2 ASP A 23 -27.036 -24.089 -14.742 1.00 0.00 O ATOM 0 H ASP A 23 -27.040 -19.168 -13.486 1.00 0.00 H new ATOM 0 HA ASP A 23 -27.019 -20.999 -14.870 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -27.753 -22.145 -12.341 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -28.841 -22.825 -13.534 1.00 0.00 H new ATOM 191 N GLU A 24 -29.924 -19.834 -14.700 1.00 0.00 N ATOM 192 CA GLU A 24 -31.201 -19.639 -15.444 1.00 0.00 C ATOM 193 C GLU A 24 -31.208 -18.247 -16.075 1.00 0.00 C ATOM 194 O GLU A 24 -31.701 -18.052 -17.168 1.00 0.00 O ATOM 195 CB GLU A 24 -32.382 -19.772 -14.481 1.00 0.00 C ATOM 196 CG GLU A 24 -33.147 -21.061 -14.786 1.00 0.00 C ATOM 197 CD GLU A 24 -34.471 -21.060 -14.022 1.00 0.00 C ATOM 198 OE1 GLU A 24 -35.246 -20.139 -14.222 1.00 0.00 O ATOM 199 OE2 GLU A 24 -34.689 -21.980 -13.251 1.00 0.00 O ATOM 0 H GLU A 24 -29.716 -19.123 -13.999 1.00 0.00 H new ATOM 0 HA GLU A 24 -31.288 -20.395 -16.225 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -32.025 -19.783 -13.451 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -33.044 -18.912 -14.580 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -33.333 -21.142 -15.857 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -32.550 -21.927 -14.500 1.00 0.00 H new ATOM 200 N LEU A 25 -30.662 -17.275 -15.397 1.00 0.00 N ATOM 201 CA LEU A 25 -30.634 -15.898 -15.963 1.00 0.00 C ATOM 202 C LEU A 25 -29.519 -15.806 -17.007 1.00 0.00 C ATOM 203 O LEU A 25 -29.508 -14.923 -17.841 1.00 0.00 O ATOM 204 CB LEU A 25 -30.371 -14.892 -14.839 1.00 0.00 C ATOM 205 CG LEU A 25 -30.169 -13.496 -15.432 1.00 0.00 C ATOM 206 CD1 LEU A 25 -31.185 -12.531 -14.822 1.00 0.00 C ATOM 207 CD2 LEU A 25 -28.751 -13.009 -15.119 1.00 0.00 C ATOM 0 H LEU A 25 -30.235 -17.375 -14.476 1.00 0.00 H new ATOM 0 HA LEU A 25 -31.592 -15.672 -16.432 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -31.209 -14.884 -14.142 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -29.488 -15.188 -14.272 1.00 0.00 H new ATOM 0 HG LEU A 25 -30.310 -13.536 -16.512 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -31.041 -11.536 -15.244 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -32.194 -12.877 -15.044 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -31.045 -12.490 -13.742 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -28.606 -12.015 -15.541 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -28.610 -12.969 -14.039 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -28.026 -13.697 -15.554 1.00 0.00 H new ATOM 208 N LYS A 26 -28.580 -16.712 -16.969 1.00 0.00 N ATOM 209 CA LYS A 26 -27.466 -16.670 -17.958 1.00 0.00 C ATOM 210 C LYS A 26 -27.840 -17.468 -19.208 1.00 0.00 C ATOM 211 O LYS A 26 -27.421 -17.150 -20.302 1.00 0.00 O ATOM 212 CB LYS A 26 -26.206 -17.270 -17.338 1.00 0.00 C ATOM 213 CG LYS A 26 -25.923 -16.587 -15.998 1.00 0.00 C ATOM 214 CD LYS A 26 -26.122 -17.589 -14.860 1.00 0.00 C ATOM 215 CE LYS A 26 -24.827 -18.371 -14.637 1.00 0.00 C ATOM 216 NZ LYS A 26 -24.616 -19.314 -15.771 1.00 0.00 N ATOM 0 H LYS A 26 -28.536 -17.478 -16.297 1.00 0.00 H new ATOM 0 HA LYS A 26 -27.282 -15.632 -18.236 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -26.335 -18.342 -17.192 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -25.359 -17.139 -18.011 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -24.903 -16.202 -15.983 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -26.588 -15.734 -15.865 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -26.406 -17.066 -13.946 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -26.935 -18.273 -15.102 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -23.984 -17.685 -14.559 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -24.879 -18.921 -13.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -23.906 -20.025 -15.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -25.513 -19.789 -15.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -24.282 -18.787 -16.603 1.00 0.00 H new ATOM 217 N LYS A 27 -28.620 -18.502 -19.063 1.00 0.00 N ATOM 218 CA LYS A 27 -29.007 -19.306 -20.256 1.00 0.00 C ATOM 219 C LYS A 27 -29.904 -18.464 -21.165 1.00 0.00 C ATOM 220 O LYS A 27 -30.231 -18.858 -22.267 1.00 0.00 O ATOM 221 CB LYS A 27 -29.757 -20.563 -19.811 1.00 0.00 C ATOM 222 CG LYS A 27 -31.110 -20.171 -19.213 1.00 0.00 C ATOM 223 CD LYS A 27 -31.967 -21.423 -19.016 1.00 0.00 C ATOM 224 CE LYS A 27 -33.250 -21.301 -19.839 1.00 0.00 C ATOM 225 NZ LYS A 27 -33.944 -22.618 -19.881 1.00 0.00 N ATOM 0 H LYS A 27 -29.005 -18.824 -18.175 1.00 0.00 H new ATOM 0 HA LYS A 27 -28.111 -19.601 -20.802 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -29.903 -21.231 -20.660 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -29.167 -21.109 -19.074 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -30.964 -19.664 -18.259 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -31.620 -19.469 -19.872 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -31.410 -22.309 -19.321 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -32.210 -21.547 -17.961 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -33.905 -20.547 -19.401 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -33.015 -20.970 -20.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -34.816 -22.533 -20.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -33.320 -23.326 -20.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -34.182 -22.916 -18.913 1.00 0.00 H new ATOM 226 N SER A 28 -30.305 -17.305 -20.713 1.00 0.00 N ATOM 227 CA SER A 28 -31.180 -16.441 -21.553 1.00 0.00 C ATOM 228 C SER A 28 -30.334 -15.377 -22.254 1.00 0.00 C ATOM 229 O SER A 28 -30.668 -14.918 -23.327 1.00 0.00 O ATOM 230 CB SER A 28 -32.227 -15.763 -20.670 1.00 0.00 C ATOM 231 OG SER A 28 -33.474 -15.738 -21.352 1.00 0.00 O ATOM 0 H SER A 28 -30.064 -16.921 -19.799 1.00 0.00 H new ATOM 0 HA SER A 28 -31.680 -17.054 -22.303 1.00 0.00 H new ATOM 0 HB2 SER A 28 -32.326 -16.300 -19.727 1.00 0.00 H new ATOM 0 HB3 SER A 28 -31.912 -14.748 -20.427 1.00 0.00 H new ATOM 0 HG SER A 28 -33.677 -14.820 -21.629 1.00 0.00 H new ATOM 232 N LEU A 29 -29.233 -14.987 -21.668 1.00 0.00 N ATOM 233 CA LEU A 29 -28.376 -13.963 -22.331 1.00 0.00 C ATOM 234 C LEU A 29 -27.484 -14.680 -23.338 1.00 0.00 C ATOM 235 O LEU A 29 -27.100 -14.139 -24.358 1.00 0.00 O ATOM 236 CB LEU A 29 -27.487 -13.250 -21.303 1.00 0.00 C ATOM 237 CG LEU A 29 -28.217 -13.089 -19.966 1.00 0.00 C ATOM 238 CD1 LEU A 29 -27.242 -13.403 -18.830 1.00 0.00 C ATOM 239 CD2 LEU A 29 -28.713 -11.649 -19.824 1.00 0.00 C ATOM 0 H LEU A 29 -28.893 -15.329 -20.769 1.00 0.00 H new ATOM 0 HA LEU A 29 -29.008 -13.220 -22.818 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -26.569 -13.818 -21.154 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -27.198 -12.271 -21.684 1.00 0.00 H new ATOM 0 HG LEU A 29 -29.068 -13.769 -19.926 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -27.751 -13.292 -17.873 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -26.881 -14.427 -18.932 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -26.398 -12.715 -18.874 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -29.232 -11.535 -18.872 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -27.864 -10.967 -19.858 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -29.397 -11.418 -20.641 1.00 0.00 H new ATOM 240 N TYR A 30 -27.157 -15.906 -23.042 1.00 0.00 N ATOM 241 CA TYR A 30 -26.293 -16.705 -23.947 1.00 0.00 C ATOM 242 C TYR A 30 -27.008 -16.911 -25.282 1.00 0.00 C ATOM 243 O TYR A 30 -26.395 -16.921 -26.330 1.00 0.00 O ATOM 244 CB TYR A 30 -26.027 -18.061 -23.295 1.00 0.00 C ATOM 245 CG TYR A 30 -24.547 -18.342 -23.275 1.00 0.00 C ATOM 246 CD1 TYR A 30 -23.879 -18.672 -24.460 1.00 0.00 C ATOM 247 CD2 TYR A 30 -23.846 -18.286 -22.066 1.00 0.00 C ATOM 248 CE1 TYR A 30 -22.506 -18.945 -24.436 1.00 0.00 C ATOM 249 CE2 TYR A 30 -22.472 -18.562 -22.041 1.00 0.00 C ATOM 250 CZ TYR A 30 -21.803 -18.891 -23.226 1.00 0.00 C ATOM 251 OH TYR A 30 -20.451 -19.165 -23.201 1.00 0.00 O ATOM 0 H TYR A 30 -27.458 -16.394 -22.198 1.00 0.00 H new ATOM 0 HA TYR A 30 -25.351 -16.185 -24.122 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -26.421 -18.068 -22.279 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -26.547 -18.846 -23.844 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -24.422 -18.716 -25.392 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -24.363 -18.030 -21.153 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -21.989 -19.197 -25.350 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -21.930 -18.521 -21.108 1.00 0.00 H new ATOM 0 HH TYR A 30 -20.263 -19.819 -22.496 1.00 0.00 H new ATOM 252 N ALA A 31 -28.302 -17.080 -25.251 1.00 0.00 N ATOM 253 CA ALA A 31 -29.049 -17.287 -26.521 1.00 0.00 C ATOM 254 C ALA A 31 -29.523 -15.936 -27.053 1.00 0.00 C ATOM 255 O ALA A 31 -30.604 -15.817 -27.595 1.00 0.00 O ATOM 256 CB ALA A 31 -30.258 -18.186 -26.263 1.00 0.00 C ATOM 0 H ALA A 31 -28.871 -17.084 -24.404 1.00 0.00 H new ATOM 0 HA ALA A 31 -28.397 -17.761 -27.255 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -30.804 -18.337 -27.194 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -29.920 -19.149 -25.880 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -30.913 -17.714 -25.530 1.00 0.00 H new ATOM 257 N ILE A 32 -28.725 -14.913 -26.903 1.00 0.00 N ATOM 258 CA ILE A 32 -29.144 -13.576 -27.402 1.00 0.00 C ATOM 259 C ILE A 32 -27.940 -12.859 -28.030 1.00 0.00 C ATOM 260 O ILE A 32 -27.956 -12.532 -29.198 1.00 0.00 O ATOM 261 CB ILE A 32 -29.756 -12.768 -26.235 1.00 0.00 C ATOM 262 CG1 ILE A 32 -31.180 -12.356 -26.613 1.00 0.00 C ATOM 263 CG2 ILE A 32 -28.938 -11.508 -25.919 1.00 0.00 C ATOM 264 CD1 ILE A 32 -31.858 -11.702 -25.409 1.00 0.00 C ATOM 0 H ILE A 32 -27.807 -14.947 -26.459 1.00 0.00 H new ATOM 0 HA ILE A 32 -29.905 -13.679 -28.176 1.00 0.00 H new ATOM 0 HB ILE A 32 -29.754 -13.401 -25.347 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -31.158 -11.662 -27.453 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -31.749 -13.228 -26.935 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -29.403 -10.970 -25.093 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -27.923 -11.793 -25.641 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -28.906 -10.865 -26.799 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -32.873 -11.408 -25.678 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -31.893 -12.411 -24.582 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -31.293 -10.820 -25.108 1.00 0.00 H new ATOM 265 N PHE A 33 -26.896 -12.615 -27.279 1.00 0.00 N ATOM 266 CA PHE A 33 -25.713 -11.921 -27.874 1.00 0.00 C ATOM 267 C PHE A 33 -24.938 -12.898 -28.755 1.00 0.00 C ATOM 268 O PHE A 33 -24.161 -12.503 -29.601 1.00 0.00 O ATOM 269 CB PHE A 33 -24.768 -11.430 -26.779 1.00 0.00 C ATOM 270 CG PHE A 33 -25.535 -10.958 -25.576 1.00 0.00 C ATOM 271 CD1 PHE A 33 -26.549 -10.004 -25.712 1.00 0.00 C ATOM 272 CD2 PHE A 33 -25.211 -11.467 -24.317 1.00 0.00 C ATOM 273 CE1 PHE A 33 -27.242 -9.560 -24.582 1.00 0.00 C ATOM 274 CE2 PHE A 33 -25.898 -11.024 -23.187 1.00 0.00 C ATOM 275 CZ PHE A 33 -26.917 -10.070 -23.316 1.00 0.00 C ATOM 0 H PHE A 33 -26.811 -12.862 -26.293 1.00 0.00 H new ATOM 0 HA PHE A 33 -26.076 -11.074 -28.456 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -24.091 -12.234 -26.490 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -24.152 -10.617 -27.163 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -26.796 -9.612 -26.687 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -24.428 -12.204 -24.218 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -28.027 -8.825 -24.683 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -25.645 -11.416 -22.213 1.00 0.00 H new ATOM 0 HZ PHE A 33 -27.451 -9.728 -22.442 1.00 0.00 H new ATOM 276 N SER A 34 -25.123 -14.173 -28.551 1.00 0.00 N ATOM 277 CA SER A 34 -24.379 -15.164 -29.372 1.00 0.00 C ATOM 278 C SER A 34 -24.418 -14.737 -30.838 1.00 0.00 C ATOM 279 O SER A 34 -23.447 -14.869 -31.556 1.00 0.00 O ATOM 280 CB SER A 34 -25.012 -16.541 -29.204 1.00 0.00 C ATOM 281 OG SER A 34 -24.837 -17.291 -30.399 1.00 0.00 O ATOM 0 H SER A 34 -25.754 -14.568 -27.854 1.00 0.00 H new ATOM 0 HA SER A 34 -23.341 -15.212 -29.044 1.00 0.00 H new ATOM 0 HB2 SER A 34 -24.555 -17.063 -28.364 1.00 0.00 H new ATOM 0 HB3 SER A 34 -26.073 -16.440 -28.977 1.00 0.00 H new ATOM 0 HG SER A 34 -25.242 -18.177 -30.292 1.00 0.00 H new ATOM 282 N GLN A 35 -25.520 -14.205 -31.286 1.00 0.00 N ATOM 283 CA GLN A 35 -25.595 -13.750 -32.700 1.00 0.00 C ATOM 284 C GLN A 35 -25.096 -12.308 -32.768 1.00 0.00 C ATOM 285 O GLN A 35 -24.549 -11.872 -33.763 1.00 0.00 O ATOM 286 CB GLN A 35 -27.036 -13.827 -33.206 1.00 0.00 C ATOM 287 CG GLN A 35 -28.002 -13.385 -32.106 1.00 0.00 C ATOM 288 CD GLN A 35 -29.393 -13.174 -32.706 1.00 0.00 C ATOM 289 OE1 GLN A 35 -30.048 -14.118 -33.103 1.00 0.00 O ATOM 290 NE2 GLN A 35 -29.877 -11.964 -32.789 1.00 0.00 N ATOM 0 H GLN A 35 -26.368 -14.066 -30.737 1.00 0.00 H new ATOM 0 HA GLN A 35 -24.978 -14.392 -33.328 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -27.156 -13.192 -34.084 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -27.267 -14.846 -33.516 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -28.044 -14.138 -31.319 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -27.649 -12.462 -31.646 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -29.328 -11.171 -32.456 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -30.804 -11.812 -33.187 1.00 0.00 H new ATOM 291 N PHE A 36 -25.256 -11.573 -31.701 1.00 0.00 N ATOM 292 CA PHE A 36 -24.768 -10.168 -31.676 1.00 0.00 C ATOM 293 C PHE A 36 -23.293 -10.165 -32.059 1.00 0.00 C ATOM 294 O PHE A 36 -22.747 -9.172 -32.497 1.00 0.00 O ATOM 295 CB PHE A 36 -24.927 -9.605 -30.279 1.00 0.00 C ATOM 296 CG PHE A 36 -26.362 -9.182 -30.061 1.00 0.00 C ATOM 297 CD1 PHE A 36 -27.403 -10.105 -30.203 1.00 0.00 C ATOM 298 CD2 PHE A 36 -26.645 -7.863 -29.701 1.00 0.00 C ATOM 299 CE1 PHE A 36 -28.728 -9.708 -29.987 1.00 0.00 C ATOM 300 CE2 PHE A 36 -27.966 -7.466 -29.481 1.00 0.00 C ATOM 301 CZ PHE A 36 -29.010 -8.386 -29.624 1.00 0.00 C ATOM 0 H PHE A 36 -25.706 -11.889 -30.842 1.00 0.00 H new ATOM 0 HA PHE A 36 -25.340 -9.558 -32.375 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -24.642 -10.354 -29.540 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -24.262 -8.753 -30.142 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -27.184 -11.126 -30.480 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -25.842 -7.149 -29.593 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -29.531 -10.421 -30.100 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -28.182 -6.446 -29.200 1.00 0.00 H new ATOM 0 HZ PHE A 36 -30.031 -8.077 -29.455 1.00 0.00 H new ATOM 302 N GLY A 37 -22.647 -11.286 -31.892 1.00 0.00 N ATOM 303 CA GLY A 37 -21.201 -11.384 -32.240 1.00 0.00 C ATOM 304 C GLY A 37 -20.695 -12.790 -31.906 1.00 0.00 C ATOM 305 O GLY A 37 -20.412 -13.582 -32.784 1.00 0.00 O ATOM 0 H GLY A 37 -23.061 -12.144 -31.527 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -21.055 -11.175 -33.300 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -20.630 -10.638 -31.686 1.00 0.00 H new ATOM 306 N GLN A 38 -20.579 -13.111 -30.644 1.00 0.00 N ATOM 307 CA GLN A 38 -20.093 -14.468 -30.262 1.00 0.00 C ATOM 308 C GLN A 38 -19.963 -14.567 -28.738 1.00 0.00 C ATOM 309 O GLN A 38 -19.026 -14.058 -28.151 1.00 0.00 O ATOM 310 CB GLN A 38 -18.730 -14.724 -30.913 1.00 0.00 C ATOM 311 CG GLN A 38 -17.837 -13.492 -30.749 1.00 0.00 C ATOM 312 CD GLN A 38 -17.033 -13.271 -32.031 1.00 0.00 C ATOM 313 OE1 GLN A 38 -16.219 -14.203 -32.445 1.00 0.00 O flip ATOM 314 NE2 GLN A 38 -17.145 -12.239 -32.661 1.00 0.00 N flip ATOM 0 H GLN A 38 -20.800 -12.493 -29.863 1.00 0.00 H new ATOM 0 HA GLN A 38 -20.808 -15.215 -30.607 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -18.255 -15.592 -30.455 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -18.859 -14.952 -31.971 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -18.446 -12.614 -30.533 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -17.163 -13.628 -29.903 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -17.781 -11.510 -32.337 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -16.603 -12.101 -33.514 1.00 0.00 H new ATOM 315 N ILE A 39 -20.894 -15.228 -28.093 1.00 0.00 N ATOM 316 CA ILE A 39 -20.827 -15.370 -26.608 1.00 0.00 C ATOM 317 C ILE A 39 -20.019 -16.611 -26.249 1.00 0.00 C ATOM 318 O ILE A 39 -20.103 -17.631 -26.903 1.00 0.00 O ATOM 319 CB ILE A 39 -22.236 -15.518 -26.026 1.00 0.00 C ATOM 320 CG1 ILE A 39 -22.984 -14.196 -26.164 1.00 0.00 C ATOM 321 CG2 ILE A 39 -22.142 -15.889 -24.544 1.00 0.00 C ATOM 322 CD1 ILE A 39 -22.075 -13.062 -25.700 1.00 0.00 C ATOM 0 H ILE A 39 -21.698 -15.675 -28.534 1.00 0.00 H new ATOM 0 HA ILE A 39 -20.353 -14.480 -26.195 1.00 0.00 H new ATOM 0 HB ILE A 39 -22.769 -16.301 -26.566 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -23.283 -14.039 -27.200 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -23.896 -14.215 -25.568 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -23.145 -15.994 -24.131 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -21.605 -16.832 -24.438 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -21.608 -15.106 -24.006 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -22.601 -12.112 -25.795 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -21.798 -13.221 -24.658 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -21.176 -13.042 -26.315 1.00 0.00 H new ATOM 323 N LEU A 40 -19.245 -16.537 -25.209 1.00 0.00 N ATOM 324 CA LEU A 40 -18.441 -17.717 -24.801 1.00 0.00 C ATOM 325 C LEU A 40 -18.232 -17.679 -23.289 1.00 0.00 C ATOM 326 O LEU A 40 -17.380 -18.364 -22.759 1.00 0.00 O ATOM 327 CB LEU A 40 -17.074 -17.717 -25.504 1.00 0.00 C ATOM 328 CG LEU A 40 -16.837 -16.394 -26.242 1.00 0.00 C ATOM 329 CD1 LEU A 40 -15.342 -16.072 -26.241 1.00 0.00 C ATOM 330 CD2 LEU A 40 -17.325 -16.522 -27.688 1.00 0.00 C ATOM 0 H LEU A 40 -19.133 -15.710 -24.622 1.00 0.00 H new ATOM 0 HA LEU A 40 -18.977 -18.622 -25.086 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -16.284 -17.875 -24.770 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -17.024 -18.546 -26.210 1.00 0.00 H new ATOM 0 HG LEU A 40 -17.384 -15.596 -25.741 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -15.172 -15.132 -26.765 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -14.990 -15.983 -25.213 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -14.797 -16.871 -26.744 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -17.157 -15.582 -28.213 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -16.776 -17.320 -28.188 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -18.390 -16.755 -27.693 1.00 0.00 H new ATOM 331 N ASP A 41 -19.001 -16.893 -22.579 1.00 0.00 N ATOM 332 CA ASP A 41 -18.817 -16.849 -21.108 1.00 0.00 C ATOM 333 C ASP A 41 -19.679 -15.750 -20.485 1.00 0.00 C ATOM 334 O ASP A 41 -19.208 -14.674 -20.180 1.00 0.00 O ATOM 335 CB ASP A 41 -17.344 -16.583 -20.791 1.00 0.00 C ATOM 336 CG ASP A 41 -16.768 -17.767 -20.013 1.00 0.00 C ATOM 337 OD1 ASP A 41 -17.384 -18.820 -20.034 1.00 0.00 O ATOM 338 OD2 ASP A 41 -15.721 -17.602 -19.410 1.00 0.00 O ATOM 0 H ASP A 41 -19.735 -16.291 -22.952 1.00 0.00 H new ATOM 0 HA ASP A 41 -19.123 -17.808 -20.689 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -16.784 -16.433 -21.714 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -17.246 -15.668 -20.207 1.00 0.00 H new ATOM 339 N ILE A 42 -20.933 -16.029 -20.264 1.00 0.00 N ATOM 340 CA ILE A 42 -21.823 -15.028 -19.626 1.00 0.00 C ATOM 341 C ILE A 42 -22.012 -15.451 -18.172 1.00 0.00 C ATOM 342 O ILE A 42 -22.638 -16.453 -17.886 1.00 0.00 O ATOM 343 CB ILE A 42 -23.172 -15.003 -20.341 1.00 0.00 C ATOM 344 CG1 ILE A 42 -22.950 -15.050 -21.857 1.00 0.00 C ATOM 345 CG2 ILE A 42 -23.903 -13.715 -19.977 1.00 0.00 C ATOM 346 CD1 ILE A 42 -24.254 -14.700 -22.577 1.00 0.00 C ATOM 0 H ILE A 42 -21.380 -16.915 -20.501 1.00 0.00 H new ATOM 0 HA ILE A 42 -21.388 -14.030 -19.684 1.00 0.00 H new ATOM 0 HB ILE A 42 -23.765 -15.865 -20.036 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -22.166 -14.349 -22.142 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -22.613 -16.043 -22.155 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -24.868 -13.689 -20.483 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -24.058 -13.677 -18.899 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -23.306 -12.858 -20.288 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -24.095 -14.734 -23.655 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -25.026 -15.419 -22.301 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -24.571 -13.698 -22.288 1.00 0.00 H new ATOM 347 N LEU A 43 -21.441 -14.729 -17.251 1.00 0.00 N ATOM 348 CA LEU A 43 -21.557 -15.139 -15.823 1.00 0.00 C ATOM 349 C LEU A 43 -22.184 -14.024 -14.989 1.00 0.00 C ATOM 350 O LEU A 43 -21.925 -12.855 -15.189 1.00 0.00 O ATOM 351 CB LEU A 43 -20.163 -15.470 -15.256 1.00 0.00 C ATOM 352 CG LEU A 43 -19.082 -15.337 -16.341 1.00 0.00 C ATOM 353 CD1 LEU A 43 -18.557 -13.904 -16.362 1.00 0.00 C ATOM 354 CD2 LEU A 43 -17.930 -16.297 -16.030 1.00 0.00 C ATOM 0 H LEU A 43 -20.903 -13.879 -17.421 1.00 0.00 H new ATOM 0 HA LEU A 43 -22.195 -16.021 -15.774 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -19.935 -14.800 -14.427 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -20.160 -16.484 -14.857 1.00 0.00 H new ATOM 0 HG LEU A 43 -19.509 -15.582 -17.313 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -17.790 -13.809 -17.131 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -19.377 -13.219 -16.580 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -18.128 -13.659 -15.390 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -17.162 -16.205 -16.798 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -17.503 -16.050 -15.058 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -18.304 -17.321 -16.012 1.00 0.00 H new ATOM 355 N VAL A 44 -23.003 -14.390 -14.043 1.00 0.00 N ATOM 356 CA VAL A 44 -23.655 -13.374 -13.170 1.00 0.00 C ATOM 357 C VAL A 44 -22.851 -13.241 -11.871 1.00 0.00 C ATOM 358 O VAL A 44 -22.325 -14.208 -11.356 1.00 0.00 O ATOM 359 CB VAL A 44 -25.080 -13.832 -12.856 1.00 0.00 C ATOM 360 CG1 VAL A 44 -25.830 -14.089 -14.165 1.00 0.00 C ATOM 361 CG2 VAL A 44 -25.035 -15.127 -12.041 1.00 0.00 C ATOM 0 H VAL A 44 -23.251 -15.357 -13.835 1.00 0.00 H new ATOM 0 HA VAL A 44 -23.688 -12.408 -13.674 1.00 0.00 H new ATOM 0 HB VAL A 44 -25.591 -13.058 -12.283 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -26.846 -14.416 -13.944 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -25.863 -13.171 -14.751 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -25.315 -14.864 -14.733 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -26.051 -15.452 -11.818 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -24.524 -15.900 -12.615 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -24.497 -14.952 -11.109 1.00 0.00 H new ATOM 362 N SER A 45 -22.740 -12.051 -11.341 1.00 0.00 N ATOM 363 CA SER A 45 -21.957 -11.864 -10.084 1.00 0.00 C ATOM 364 C SER A 45 -22.611 -12.646 -8.941 1.00 0.00 C ATOM 365 O SER A 45 -23.725 -13.115 -9.053 1.00 0.00 O ATOM 366 CB SER A 45 -21.906 -10.378 -9.725 1.00 0.00 C ATOM 367 OG SER A 45 -21.068 -10.199 -8.590 1.00 0.00 O ATOM 0 H SER A 45 -23.157 -11.202 -11.723 1.00 0.00 H new ATOM 0 HA SER A 45 -20.943 -12.234 -10.237 1.00 0.00 H new ATOM 0 HB2 SER A 45 -21.525 -9.801 -10.568 1.00 0.00 H new ATOM 0 HB3 SER A 45 -22.909 -10.008 -9.513 1.00 0.00 H new ATOM 0 HG SER A 45 -21.031 -9.248 -8.357 1.00 0.00 H new ATOM 368 N ARG A 46 -21.923 -12.795 -7.842 1.00 0.00 N ATOM 369 CA ARG A 46 -22.502 -13.547 -6.694 1.00 0.00 C ATOM 370 C ARG A 46 -22.575 -12.631 -5.472 1.00 0.00 C ATOM 371 O ARG A 46 -21.998 -12.908 -4.439 1.00 0.00 O ATOM 372 CB ARG A 46 -21.611 -14.748 -6.371 1.00 0.00 C ATOM 373 CG ARG A 46 -22.294 -16.035 -6.837 1.00 0.00 C ATOM 374 CD ARG A 46 -23.631 -16.198 -6.110 1.00 0.00 C ATOM 375 NE ARG A 46 -23.494 -17.225 -5.039 1.00 0.00 N ATOM 376 CZ ARG A 46 -22.773 -16.975 -3.980 1.00 0.00 C ATOM 377 NH1 ARG A 46 -23.319 -16.418 -2.935 1.00 0.00 N ATOM 378 NH2 ARG A 46 -21.505 -17.284 -3.965 1.00 0.00 N ATOM 0 H ARG A 46 -20.984 -12.428 -7.690 1.00 0.00 H new ATOM 0 HA ARG A 46 -23.503 -13.893 -6.954 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -20.644 -14.639 -6.863 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -21.420 -14.794 -5.299 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -22.456 -16.003 -7.914 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -21.652 -16.893 -6.636 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -23.940 -15.246 -5.678 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -24.407 -16.495 -6.816 1.00 0.00 H new ATOM 0 HE ARG A 46 -23.965 -18.125 -5.134 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -24.310 -16.177 -2.945 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -22.755 -16.223 -2.108 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -21.077 -17.721 -4.781 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -20.942 -17.088 -3.137 1.00 0.00 H new ATOM 379 N SER A 47 -23.278 -11.538 -5.581 1.00 0.00 N ATOM 380 CA SER A 47 -23.385 -10.604 -4.426 1.00 0.00 C ATOM 381 C SER A 47 -24.814 -10.066 -4.341 1.00 0.00 C ATOM 382 O SER A 47 -25.709 -10.553 -5.001 1.00 0.00 O ATOM 383 CB SER A 47 -22.413 -9.440 -4.623 1.00 0.00 C ATOM 384 OG SER A 47 -21.084 -9.899 -4.421 1.00 0.00 O ATOM 0 H SER A 47 -23.783 -11.251 -6.420 1.00 0.00 H new ATOM 0 HA SER A 47 -23.139 -11.131 -3.504 1.00 0.00 H new ATOM 0 HB2 SER A 47 -22.519 -9.028 -5.627 1.00 0.00 H new ATOM 0 HB3 SER A 47 -22.643 -8.637 -3.923 1.00 0.00 H new ATOM 0 HG SER A 47 -20.458 -9.156 -4.548 1.00 0.00 H new ATOM 385 N LEU A 48 -25.035 -9.066 -3.534 1.00 0.00 N ATOM 386 CA LEU A 48 -26.408 -8.500 -3.415 1.00 0.00 C ATOM 387 C LEU A 48 -26.497 -7.211 -4.230 1.00 0.00 C ATOM 388 O LEU A 48 -27.572 -6.716 -4.510 1.00 0.00 O ATOM 389 CB LEU A 48 -26.717 -8.203 -1.947 1.00 0.00 C ATOM 390 CG LEU A 48 -27.992 -8.942 -1.537 1.00 0.00 C ATOM 391 CD1 LEU A 48 -29.151 -8.491 -2.428 1.00 0.00 C ATOM 392 CD2 LEU A 48 -27.780 -10.449 -1.700 1.00 0.00 C ATOM 0 H LEU A 48 -24.327 -8.617 -2.953 1.00 0.00 H new ATOM 0 HA LEU A 48 -27.132 -9.221 -3.795 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -25.884 -8.516 -1.318 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -26.842 -7.130 -1.800 1.00 0.00 H new ATOM 0 HG LEU A 48 -28.225 -8.717 -0.496 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -30.060 -9.017 -2.137 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -29.301 -7.417 -2.314 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -28.919 -8.717 -3.469 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -28.687 -10.978 -1.408 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -27.548 -10.673 -2.741 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -26.953 -10.771 -1.067 1.00 0.00 H new ATOM 393 N LYS A 49 -25.378 -6.667 -4.623 1.00 0.00 N ATOM 394 CA LYS A 49 -25.403 -5.417 -5.429 1.00 0.00 C ATOM 395 C LYS A 49 -25.366 -5.785 -6.912 1.00 0.00 C ATOM 396 O LYS A 49 -25.082 -4.966 -7.763 1.00 0.00 O ATOM 397 CB LYS A 49 -24.186 -4.555 -5.078 1.00 0.00 C ATOM 398 CG LYS A 49 -24.477 -3.759 -3.804 1.00 0.00 C ATOM 399 CD LYS A 49 -24.549 -2.267 -4.133 1.00 0.00 C ATOM 400 CE LYS A 49 -25.316 -1.537 -3.028 1.00 0.00 C ATOM 401 NZ LYS A 49 -25.504 -0.109 -3.412 1.00 0.00 N ATOM 0 H LYS A 49 -24.449 -7.035 -4.420 1.00 0.00 H new ATOM 0 HA LYS A 49 -26.311 -4.854 -5.212 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -23.309 -5.186 -4.933 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -23.958 -3.876 -5.900 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -25.418 -4.090 -3.364 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -23.698 -3.941 -3.064 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -23.544 -1.855 -4.226 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -25.044 -2.119 -5.093 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -26.284 -2.012 -2.868 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -24.769 -1.603 -2.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -26.025 0.387 -2.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -24.575 0.340 -3.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -26.043 -0.056 -4.300 1.00 0.00 H new ATOM 402 N MET A 50 -25.658 -7.019 -7.224 1.00 0.00 N ATOM 403 CA MET A 50 -25.648 -7.458 -8.646 1.00 0.00 C ATOM 404 C MET A 50 -26.983 -8.126 -8.971 1.00 0.00 C ATOM 405 O MET A 50 -27.054 -9.042 -9.759 1.00 0.00 O ATOM 406 CB MET A 50 -24.509 -8.462 -8.867 1.00 0.00 C ATOM 407 CG MET A 50 -24.480 -9.477 -7.721 1.00 0.00 C ATOM 408 SD MET A 50 -25.856 -10.647 -7.893 1.00 0.00 S ATOM 409 CE MET A 50 -25.479 -11.223 -9.569 1.00 0.00 C ATOM 0 H MET A 50 -25.904 -7.744 -6.550 1.00 0.00 H new ATOM 0 HA MET A 50 -25.498 -6.595 -9.295 1.00 0.00 H new ATOM 0 HB2 MET A 50 -24.646 -8.977 -9.818 1.00 0.00 H new ATOM 0 HB3 MET A 50 -23.555 -7.937 -8.924 1.00 0.00 H new ATOM 0 HG2 MET A 50 -23.532 -10.015 -7.725 1.00 0.00 H new ATOM 0 HG3 MET A 50 -24.549 -8.960 -6.764 1.00 0.00 H new ATOM 0 HE1 MET A 50 -25.372 -12.308 -9.566 1.00 0.00 H new ATOM 0 HE2 MET A 50 -26.289 -10.940 -10.242 1.00 0.00 H new ATOM 0 HE3 MET A 50 -24.549 -10.768 -9.909 1.00 0.00 H new ATOM 410 N ARG A 51 -28.042 -7.684 -8.363 1.00 0.00 N ATOM 411 CA ARG A 51 -29.363 -8.315 -8.633 1.00 0.00 C ATOM 412 C ARG A 51 -29.574 -8.447 -10.139 1.00 0.00 C ATOM 413 O ARG A 51 -29.621 -7.470 -10.860 1.00 0.00 O ATOM 414 CB ARG A 51 -30.472 -7.465 -8.016 1.00 0.00 C ATOM 415 CG ARG A 51 -30.735 -7.962 -6.595 1.00 0.00 C ATOM 416 CD ARG A 51 -30.843 -6.770 -5.644 1.00 0.00 C ATOM 417 NE ARG A 51 -32.279 -6.465 -5.391 1.00 0.00 N ATOM 418 CZ ARG A 51 -32.679 -6.163 -4.187 1.00 0.00 C ATOM 419 NH1 ARG A 51 -31.913 -5.455 -3.402 1.00 0.00 N ATOM 420 NH2 ARG A 51 -33.847 -6.569 -3.766 1.00 0.00 N ATOM 0 H ARG A 51 -28.054 -6.916 -7.692 1.00 0.00 H new ATOM 0 HA ARG A 51 -29.389 -9.309 -8.187 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -30.180 -6.415 -8.001 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -31.380 -7.535 -8.615 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -31.655 -8.546 -6.568 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -29.929 -8.623 -6.275 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -30.337 -6.993 -4.705 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -30.346 -5.901 -6.075 1.00 0.00 H new ATOM 0 HE ARG A 51 -32.949 -6.492 -6.159 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -31.001 -5.138 -3.730 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -32.227 -5.219 -2.460 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -34.446 -7.122 -4.379 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -34.160 -6.333 -2.824 1.00 0.00 H new ATOM 421 N GLY A 52 -29.695 -9.655 -10.620 1.00 0.00 N ATOM 422 CA GLY A 52 -29.896 -9.858 -12.080 1.00 0.00 C ATOM 423 C GLY A 52 -28.830 -9.083 -12.840 1.00 0.00 C ATOM 424 O GLY A 52 -29.110 -8.375 -13.787 1.00 0.00 O ATOM 0 H GLY A 52 -29.663 -10.509 -10.063 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -29.836 -10.919 -12.324 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -30.889 -9.519 -12.374 1.00 0.00 H new ATOM 425 N GLN A 53 -27.605 -9.220 -12.432 1.00 0.00 N ATOM 426 CA GLN A 53 -26.504 -8.507 -13.119 1.00 0.00 C ATOM 427 C GLN A 53 -25.478 -9.533 -13.579 1.00 0.00 C ATOM 428 O GLN A 53 -25.146 -10.451 -12.857 1.00 0.00 O ATOM 429 CB GLN A 53 -25.848 -7.529 -12.148 1.00 0.00 C ATOM 430 CG GLN A 53 -26.514 -6.157 -12.288 1.00 0.00 C ATOM 431 CD GLN A 53 -26.162 -5.284 -11.082 1.00 0.00 C ATOM 432 OE1 GLN A 53 -27.036 -4.829 -10.372 1.00 0.00 O ATOM 433 NE2 GLN A 53 -24.911 -5.029 -10.817 1.00 0.00 N ATOM 0 H GLN A 53 -27.318 -9.801 -11.644 1.00 0.00 H new ATOM 0 HA GLN A 53 -26.891 -7.954 -13.975 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -25.947 -7.892 -11.125 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -24.781 -7.452 -12.357 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -26.183 -5.674 -13.207 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -27.595 -6.273 -12.361 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -24.176 -5.410 -11.412 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -24.668 -4.448 -10.015 1.00 0.00 H new ATOM 434 N ALA A 54 -24.974 -9.401 -14.769 1.00 0.00 N ATOM 435 CA ALA A 54 -23.977 -10.396 -15.238 1.00 0.00 C ATOM 436 C ALA A 54 -23.073 -9.781 -16.312 1.00 0.00 C ATOM 437 O ALA A 54 -23.492 -8.937 -17.080 1.00 0.00 O ATOM 438 CB ALA A 54 -24.708 -11.606 -15.823 1.00 0.00 C ATOM 0 H ALA A 54 -25.204 -8.659 -15.430 1.00 0.00 H new ATOM 0 HA ALA A 54 -23.361 -10.705 -14.393 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -23.979 -12.339 -16.169 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -25.339 -12.055 -15.056 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -25.327 -11.287 -16.661 1.00 0.00 H new ATOM 439 N PHE A 55 -21.836 -10.203 -16.380 1.00 0.00 N ATOM 440 CA PHE A 55 -20.911 -9.648 -17.414 1.00 0.00 C ATOM 441 C PHE A 55 -20.774 -10.651 -18.566 1.00 0.00 C ATOM 442 O PHE A 55 -20.554 -11.827 -18.354 1.00 0.00 O ATOM 443 CB PHE A 55 -19.519 -9.375 -16.811 1.00 0.00 C ATOM 444 CG PHE A 55 -19.565 -9.470 -15.305 1.00 0.00 C ATOM 445 CD1 PHE A 55 -19.352 -10.705 -14.679 1.00 0.00 C ATOM 446 CD2 PHE A 55 -19.821 -8.328 -14.535 1.00 0.00 C ATOM 447 CE1 PHE A 55 -19.400 -10.800 -13.288 1.00 0.00 C ATOM 448 CE2 PHE A 55 -19.865 -8.426 -13.139 1.00 0.00 C ATOM 449 CZ PHE A 55 -19.657 -9.661 -12.516 1.00 0.00 C ATOM 0 H PHE A 55 -21.427 -10.907 -15.765 1.00 0.00 H new ATOM 0 HA PHE A 55 -21.324 -8.709 -17.782 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -18.799 -10.093 -17.204 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -19.176 -8.384 -17.108 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -19.151 -11.584 -15.273 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -19.984 -7.375 -15.017 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -19.239 -11.753 -12.806 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -20.060 -7.547 -12.542 1.00 0.00 H new ATOM 0 HZ PHE A 55 -19.695 -9.736 -11.439 1.00 0.00 H new ATOM 450 N VAL A 56 -20.903 -10.192 -19.782 1.00 0.00 N ATOM 451 CA VAL A 56 -20.784 -11.111 -20.952 1.00 0.00 C ATOM 452 C VAL A 56 -19.330 -11.153 -21.422 1.00 0.00 C ATOM 453 O VAL A 56 -18.645 -10.150 -21.429 1.00 0.00 O ATOM 454 CB VAL A 56 -21.644 -10.585 -22.103 1.00 0.00 C ATOM 455 CG1 VAL A 56 -21.664 -11.597 -23.249 1.00 0.00 C ATOM 456 CG2 VAL A 56 -23.070 -10.348 -21.616 1.00 0.00 C ATOM 0 H VAL A 56 -21.086 -9.216 -20.017 1.00 0.00 H new ATOM 0 HA VAL A 56 -21.115 -12.107 -20.657 1.00 0.00 H new ATOM 0 HB VAL A 56 -21.218 -9.647 -22.458 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -22.279 -11.213 -24.063 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -20.648 -11.760 -23.608 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -22.080 -12.540 -22.894 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -23.678 -9.973 -22.439 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -23.490 -11.285 -21.251 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -23.062 -9.616 -20.809 1.00 0.00 H new ATOM 457 N ILE A 57 -18.861 -12.295 -21.841 1.00 0.00 N ATOM 458 CA ILE A 57 -17.461 -12.390 -22.340 1.00 0.00 C ATOM 459 C ILE A 57 -17.503 -12.841 -23.801 1.00 0.00 C ATOM 460 O ILE A 57 -17.841 -13.969 -24.101 1.00 0.00 O ATOM 461 CB ILE A 57 -16.680 -13.405 -21.506 1.00 0.00 C ATOM 462 CG1 ILE A 57 -16.840 -13.076 -20.019 1.00 0.00 C ATOM 463 CG2 ILE A 57 -15.198 -13.340 -21.882 1.00 0.00 C ATOM 464 CD1 ILE A 57 -16.292 -11.673 -19.745 1.00 0.00 C ATOM 0 H ILE A 57 -19.388 -13.168 -21.859 1.00 0.00 H new ATOM 0 HA ILE A 57 -16.967 -11.422 -22.260 1.00 0.00 H new ATOM 0 HB ILE A 57 -17.064 -14.406 -21.701 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -17.891 -13.129 -19.735 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -16.308 -13.810 -19.414 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -14.640 -14.063 -21.288 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -15.081 -13.572 -22.941 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -14.816 -12.338 -21.686 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -16.406 -11.438 -18.687 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -15.236 -11.636 -20.014 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -16.843 -10.945 -20.339 1.00 0.00 H new ATOM 465 N PHE A 58 -17.189 -11.966 -24.720 1.00 0.00 N ATOM 466 CA PHE A 58 -17.244 -12.356 -26.158 1.00 0.00 C ATOM 467 C PHE A 58 -15.872 -12.817 -26.643 1.00 0.00 C ATOM 468 O PHE A 58 -14.850 -12.458 -26.091 1.00 0.00 O ATOM 469 CB PHE A 58 -17.675 -11.152 -26.996 1.00 0.00 C ATOM 470 CG PHE A 58 -19.090 -10.760 -26.649 1.00 0.00 C ATOM 471 CD1 PHE A 58 -19.355 -10.076 -25.457 1.00 0.00 C ATOM 472 CD2 PHE A 58 -20.137 -11.076 -27.523 1.00 0.00 C ATOM 473 CE1 PHE A 58 -20.668 -9.707 -25.140 1.00 0.00 C ATOM 474 CE2 PHE A 58 -21.449 -10.707 -27.206 1.00 0.00 C ATOM 475 CZ PHE A 58 -21.714 -10.023 -26.015 1.00 0.00 C ATOM 0 H PHE A 58 -16.899 -11.005 -24.538 1.00 0.00 H new ATOM 0 HA PHE A 58 -17.958 -13.172 -26.266 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -17.002 -10.314 -26.815 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -17.606 -11.394 -28.057 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -18.547 -9.833 -24.782 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -19.932 -11.605 -28.442 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -20.874 -9.179 -24.221 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -22.257 -10.950 -27.881 1.00 0.00 H new ATOM 0 HZ PHE A 58 -22.727 -9.738 -25.770 1.00 0.00 H new ATOM 476 N LYS A 59 -15.843 -13.592 -27.693 1.00 0.00 N ATOM 477 CA LYS A 59 -14.537 -14.055 -28.238 1.00 0.00 C ATOM 478 C LYS A 59 -13.781 -12.833 -28.758 1.00 0.00 C ATOM 479 O LYS A 59 -12.579 -12.723 -28.626 1.00 0.00 O ATOM 480 CB LYS A 59 -14.779 -15.036 -29.388 1.00 0.00 C ATOM 481 CG LYS A 59 -13.439 -15.450 -29.999 1.00 0.00 C ATOM 482 CD LYS A 59 -12.954 -16.740 -29.338 1.00 0.00 C ATOM 483 CE LYS A 59 -12.107 -17.536 -30.331 1.00 0.00 C ATOM 484 NZ LYS A 59 -11.771 -18.863 -29.743 1.00 0.00 N ATOM 0 H LYS A 59 -16.666 -13.924 -28.196 1.00 0.00 H new ATOM 0 HA LYS A 59 -13.959 -14.557 -27.462 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -15.311 -15.915 -29.024 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -15.409 -14.573 -30.148 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -13.547 -15.598 -31.073 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -12.703 -14.658 -29.859 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -12.368 -16.507 -28.449 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -13.806 -17.336 -29.011 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -12.651 -17.668 -31.266 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -11.194 -16.989 -30.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -11.195 -19.406 -30.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -11.236 -18.727 -28.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -12.648 -19.384 -29.539 1.00 0.00 H new ATOM 485 N GLU A 60 -14.494 -11.904 -29.337 1.00 0.00 N ATOM 486 CA GLU A 60 -13.849 -10.669 -29.858 1.00 0.00 C ATOM 487 C GLU A 60 -14.468 -9.459 -29.156 1.00 0.00 C ATOM 488 O GLU A 60 -15.566 -9.525 -28.640 1.00 0.00 O ATOM 489 CB GLU A 60 -14.083 -10.563 -31.367 1.00 0.00 C ATOM 490 CG GLU A 60 -12.880 -9.885 -32.026 1.00 0.00 C ATOM 491 CD GLU A 60 -11.759 -10.908 -32.213 1.00 0.00 C ATOM 492 OE1 GLU A 60 -11.849 -11.695 -33.141 1.00 0.00 O ATOM 493 OE2 GLU A 60 -10.829 -10.888 -31.424 1.00 0.00 O ATOM 0 H GLU A 60 -15.504 -11.951 -29.471 1.00 0.00 H new ATOM 0 HA GLU A 60 -12.776 -10.701 -29.667 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -14.232 -11.555 -31.793 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -14.989 -9.991 -31.565 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -13.168 -9.465 -32.990 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -12.532 -9.057 -31.409 1.00 0.00 H new ATOM 494 N VAL A 61 -13.773 -8.360 -29.123 1.00 0.00 N ATOM 495 CA VAL A 61 -14.320 -7.152 -28.443 1.00 0.00 C ATOM 496 C VAL A 61 -15.363 -6.476 -29.338 1.00 0.00 C ATOM 497 O VAL A 61 -16.080 -5.594 -28.910 1.00 0.00 O ATOM 498 CB VAL A 61 -13.180 -6.170 -28.169 1.00 0.00 C ATOM 499 CG1 VAL A 61 -13.705 -4.990 -27.353 1.00 0.00 C ATOM 500 CG2 VAL A 61 -12.074 -6.876 -27.384 1.00 0.00 C ATOM 0 H VAL A 61 -12.848 -8.244 -29.537 1.00 0.00 H new ATOM 0 HA VAL A 61 -14.790 -7.449 -27.505 1.00 0.00 H new ATOM 0 HB VAL A 61 -12.781 -5.808 -29.117 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -12.891 -4.291 -27.159 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -14.493 -4.484 -27.911 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -14.106 -5.352 -26.406 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -11.262 -6.175 -27.189 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -12.475 -7.239 -26.438 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -11.696 -7.717 -27.965 1.00 0.00 H new ATOM 501 N SER A 62 -15.450 -6.873 -30.578 1.00 0.00 N ATOM 502 CA SER A 62 -16.441 -6.240 -31.492 1.00 0.00 C ATOM 503 C SER A 62 -17.816 -6.880 -31.297 1.00 0.00 C ATOM 504 O SER A 62 -18.793 -6.455 -31.880 1.00 0.00 O ATOM 505 CB SER A 62 -15.988 -6.427 -32.941 1.00 0.00 C ATOM 506 OG SER A 62 -16.500 -7.657 -33.438 1.00 0.00 O ATOM 0 H SER A 62 -14.879 -7.607 -30.997 1.00 0.00 H new ATOM 0 HA SER A 62 -16.510 -5.176 -31.265 1.00 0.00 H new ATOM 0 HB2 SER A 62 -16.341 -5.598 -33.554 1.00 0.00 H new ATOM 0 HB3 SER A 62 -14.899 -6.424 -32.997 1.00 0.00 H new ATOM 0 HG SER A 62 -16.213 -7.779 -34.367 1.00 0.00 H new ATOM 507 N SER A 63 -17.907 -7.892 -30.479 1.00 0.00 N ATOM 508 CA SER A 63 -19.231 -8.537 -30.255 1.00 0.00 C ATOM 509 C SER A 63 -19.891 -7.916 -29.025 1.00 0.00 C ATOM 510 O SER A 63 -21.093 -7.967 -28.861 1.00 0.00 O ATOM 511 CB SER A 63 -19.052 -10.037 -30.030 1.00 0.00 C ATOM 512 OG SER A 63 -18.361 -10.600 -31.138 1.00 0.00 O ATOM 0 H SER A 63 -17.128 -8.298 -29.960 1.00 0.00 H new ATOM 0 HA SER A 63 -19.859 -8.381 -31.132 1.00 0.00 H new ATOM 0 HB2 SER A 63 -18.494 -10.214 -29.111 1.00 0.00 H new ATOM 0 HB3 SER A 63 -20.023 -10.517 -29.911 1.00 0.00 H new ATOM 0 HG SER A 63 -17.399 -10.440 -31.039 1.00 0.00 H new ATOM 513 N ALA A 64 -19.114 -7.316 -28.166 1.00 0.00 N ATOM 514 CA ALA A 64 -19.698 -6.679 -26.958 1.00 0.00 C ATOM 515 C ALA A 64 -20.368 -5.384 -27.377 1.00 0.00 C ATOM 516 O ALA A 64 -21.386 -5.002 -26.856 1.00 0.00 O ATOM 517 CB ALA A 64 -18.590 -6.348 -25.957 1.00 0.00 C ATOM 0 H ALA A 64 -18.100 -7.241 -28.251 1.00 0.00 H new ATOM 0 HA ALA A 64 -20.415 -7.359 -26.497 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -19.025 -5.881 -25.074 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -18.076 -7.264 -25.667 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -17.878 -5.662 -26.416 1.00 0.00 H new ATOM 518 N THR A 65 -19.783 -4.711 -28.320 1.00 0.00 N ATOM 519 CA THR A 65 -20.330 -3.432 -28.806 1.00 0.00 C ATOM 520 C THR A 65 -21.761 -3.623 -29.284 1.00 0.00 C ATOM 521 O THR A 65 -22.607 -2.770 -29.115 1.00 0.00 O ATOM 522 CB THR A 65 -19.475 -2.978 -29.975 1.00 0.00 C ATOM 523 OG1 THR A 65 -18.177 -2.630 -29.511 1.00 0.00 O ATOM 524 CG2 THR A 65 -20.125 -1.777 -30.637 1.00 0.00 C ATOM 0 H THR A 65 -18.924 -5.007 -28.784 1.00 0.00 H new ATOM 0 HA THR A 65 -20.323 -2.694 -28.004 1.00 0.00 H new ATOM 0 HB THR A 65 -19.389 -3.787 -30.700 1.00 0.00 H new ATOM 0 HG1 THR A 65 -17.626 -2.339 -30.268 1.00 0.00 H new ATOM 0 HG21 THR A 65 -19.513 -1.449 -31.477 1.00 0.00 H new ATOM 0 HG22 THR A 65 -21.117 -2.052 -30.996 1.00 0.00 H new ATOM 0 HG23 THR A 65 -20.213 -0.966 -29.914 1.00 0.00 H new ATOM 525 N ASN A 66 -22.027 -4.732 -29.895 1.00 0.00 N ATOM 526 CA ASN A 66 -23.392 -4.992 -30.406 1.00 0.00 C ATOM 527 C ASN A 66 -24.293 -5.418 -29.248 1.00 0.00 C ATOM 528 O ASN A 66 -25.336 -4.857 -29.017 1.00 0.00 O ATOM 529 CB ASN A 66 -23.315 -6.117 -31.435 1.00 0.00 C ATOM 530 CG ASN A 66 -22.926 -5.538 -32.795 1.00 0.00 C ATOM 531 OD1 ASN A 66 -22.115 -4.516 -32.845 1.00 0.00 O flip ATOM 532 ND2 ASN A 66 -23.364 -6.017 -33.821 1.00 0.00 N flip ATOM 0 H ASN A 66 -21.352 -5.478 -30.065 1.00 0.00 H new ATOM 0 HA ASN A 66 -23.802 -4.092 -30.865 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -22.583 -6.861 -31.122 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -24.276 -6.626 -31.506 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -23.998 -6.815 -33.781 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -23.098 -5.621 -34.723 1.00 0.00 H new ATOM 533 N ALA A 67 -23.896 -6.410 -28.525 1.00 0.00 N ATOM 534 CA ALA A 67 -24.733 -6.891 -27.387 1.00 0.00 C ATOM 535 C ALA A 67 -24.985 -5.770 -26.381 1.00 0.00 C ATOM 536 O ALA A 67 -25.881 -5.842 -25.564 1.00 0.00 O ATOM 537 CB ALA A 67 -23.997 -8.005 -26.673 1.00 0.00 C ATOM 0 H ALA A 67 -23.023 -6.919 -28.666 1.00 0.00 H new ATOM 0 HA ALA A 67 -25.687 -7.238 -27.785 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -24.600 -8.364 -25.839 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -23.815 -8.825 -27.368 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -23.045 -7.630 -26.297 1.00 0.00 H new ATOM 538 N LEU A 68 -24.168 -4.767 -26.404 1.00 0.00 N ATOM 539 CA LEU A 68 -24.289 -3.654 -25.431 1.00 0.00 C ATOM 540 C LEU A 68 -25.113 -2.507 -26.030 1.00 0.00 C ATOM 541 O LEU A 68 -25.969 -1.947 -25.377 1.00 0.00 O ATOM 542 CB LEU A 68 -22.849 -3.254 -25.124 1.00 0.00 C ATOM 543 CG LEU A 68 -22.662 -1.790 -24.771 1.00 0.00 C ATOM 544 CD1 LEU A 68 -22.887 -0.916 -25.998 1.00 0.00 C ATOM 545 CD2 LEU A 68 -23.575 -1.358 -23.647 1.00 0.00 C ATOM 0 H LEU A 68 -23.403 -4.667 -27.071 1.00 0.00 H new ATOM 0 HA LEU A 68 -24.816 -3.934 -24.519 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -22.485 -3.863 -24.297 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -22.228 -3.488 -25.989 1.00 0.00 H new ATOM 0 HG LEU A 68 -21.636 -1.667 -24.426 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -22.749 0.131 -25.729 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -22.172 -1.188 -26.775 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -23.901 -1.065 -26.370 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -23.408 -0.304 -23.427 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -24.613 -1.506 -23.944 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -23.364 -1.952 -22.758 1.00 0.00 H new ATOM 546 N ARG A 69 -24.871 -2.160 -27.267 1.00 0.00 N ATOM 547 CA ARG A 69 -25.652 -1.057 -27.903 1.00 0.00 C ATOM 548 C ARG A 69 -26.972 -1.621 -28.433 1.00 0.00 C ATOM 549 O ARG A 69 -28.041 -1.121 -28.146 1.00 0.00 O ATOM 550 CB ARG A 69 -24.856 -0.470 -29.075 1.00 0.00 C ATOM 551 CG ARG A 69 -23.671 0.339 -28.548 1.00 0.00 C ATOM 552 CD ARG A 69 -23.153 1.266 -29.649 1.00 0.00 C ATOM 553 NE ARG A 69 -24.150 2.343 -29.907 1.00 0.00 N ATOM 554 CZ ARG A 69 -23.954 3.189 -30.880 1.00 0.00 C ATOM 555 NH1 ARG A 69 -23.287 2.820 -31.939 1.00 0.00 N ATOM 556 NH2 ARG A 69 -24.425 4.404 -30.796 1.00 0.00 N ATOM 0 H ARG A 69 -24.167 -2.592 -27.865 1.00 0.00 H new ATOM 0 HA ARG A 69 -25.845 -0.277 -27.166 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -24.501 -1.272 -29.722 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -25.501 0.166 -29.681 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -23.974 0.923 -27.679 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -22.877 -0.332 -28.220 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -22.200 1.703 -29.352 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -22.972 0.698 -30.561 1.00 0.00 H new ATOM 0 HE ARG A 69 -24.984 2.418 -29.324 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -22.920 1.871 -32.005 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -23.133 3.481 -32.701 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -24.947 4.693 -29.969 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -24.271 5.065 -31.558 1.00 0.00 H new ATOM 557 N SER A 70 -26.890 -2.657 -29.218 1.00 0.00 N ATOM 558 CA SER A 70 -28.119 -3.279 -29.799 1.00 0.00 C ATOM 559 C SER A 70 -29.133 -3.598 -28.695 1.00 0.00 C ATOM 560 O SER A 70 -30.218 -3.051 -28.656 1.00 0.00 O ATOM 561 CB SER A 70 -27.736 -4.573 -30.522 1.00 0.00 C ATOM 562 OG SER A 70 -27.023 -4.257 -31.711 1.00 0.00 O ATOM 0 H SER A 70 -26.015 -3.107 -29.487 1.00 0.00 H new ATOM 0 HA SER A 70 -28.571 -2.577 -30.500 1.00 0.00 H new ATOM 0 HB2 SER A 70 -27.123 -5.198 -29.872 1.00 0.00 H new ATOM 0 HB3 SER A 70 -28.631 -5.146 -30.763 1.00 0.00 H new ATOM 0 HG SER A 70 -26.776 -5.085 -32.174 1.00 0.00 H new ATOM 563 N MET A 71 -28.792 -4.486 -27.807 1.00 0.00 N ATOM 564 CA MET A 71 -29.729 -4.861 -26.711 1.00 0.00 C ATOM 565 C MET A 71 -29.921 -3.678 -25.751 1.00 0.00 C ATOM 566 O MET A 71 -30.698 -3.748 -24.820 1.00 0.00 O ATOM 567 CB MET A 71 -29.159 -6.061 -25.951 1.00 0.00 C ATOM 568 CG MET A 71 -29.254 -7.313 -26.826 1.00 0.00 C ATOM 569 SD MET A 71 -30.357 -8.517 -26.044 1.00 0.00 S ATOM 570 CE MET A 71 -31.619 -8.543 -27.341 1.00 0.00 C ATOM 0 H MET A 71 -27.896 -4.974 -27.792 1.00 0.00 H new ATOM 0 HA MET A 71 -30.697 -5.124 -27.138 1.00 0.00 H new ATOM 0 HB2 MET A 71 -28.120 -5.873 -25.679 1.00 0.00 H new ATOM 0 HB3 MET A 71 -29.709 -6.211 -25.022 1.00 0.00 H new ATOM 0 HG2 MET A 71 -29.629 -7.050 -27.815 1.00 0.00 H new ATOM 0 HG3 MET A 71 -28.264 -7.748 -26.965 1.00 0.00 H new ATOM 0 HE1 MET A 71 -32.608 -8.476 -26.888 1.00 0.00 H new ATOM 0 HE2 MET A 71 -31.469 -7.697 -28.012 1.00 0.00 H new ATOM 0 HE3 MET A 71 -31.541 -9.472 -27.906 1.00 0.00 H new ATOM 571 N GLN A 72 -29.228 -2.592 -25.970 1.00 0.00 N ATOM 572 CA GLN A 72 -29.386 -1.411 -25.072 1.00 0.00 C ATOM 573 C GLN A 72 -30.852 -0.976 -25.059 1.00 0.00 C ATOM 574 O GLN A 72 -31.289 -0.208 -25.893 1.00 0.00 O ATOM 575 CB GLN A 72 -28.520 -0.260 -25.589 1.00 0.00 C ATOM 576 CG GLN A 72 -28.446 0.845 -24.532 1.00 0.00 C ATOM 577 CD GLN A 72 -27.136 0.723 -23.749 1.00 0.00 C ATOM 578 OE1 GLN A 72 -26.712 -0.458 -23.392 1.00 0.00 O flip ATOM 579 NE2 GLN A 72 -26.493 1.713 -23.461 1.00 0.00 N flip ATOM 0 H GLN A 72 -28.560 -2.472 -26.731 1.00 0.00 H new ATOM 0 HA GLN A 72 -29.075 -1.677 -24.062 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -27.518 -0.622 -25.822 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -28.939 0.136 -26.514 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -28.506 1.823 -25.010 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -29.295 0.769 -23.853 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -26.825 2.636 -23.741 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -25.621 1.621 -22.940 1.00 0.00 H new ATOM 580 N GLY A 73 -31.615 -1.465 -24.122 1.00 0.00 N ATOM 581 CA GLY A 73 -33.053 -1.084 -24.057 1.00 0.00 C ATOM 582 C GLY A 73 -33.913 -2.269 -24.497 1.00 0.00 C ATOM 583 O GLY A 73 -35.051 -2.407 -24.094 1.00 0.00 O ATOM 0 H GLY A 73 -31.305 -2.113 -23.398 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -33.316 -0.787 -23.042 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -33.242 -0.225 -24.700 1.00 0.00 H new ATOM 584 N PHE A 74 -33.375 -3.124 -25.326 1.00 0.00 N ATOM 585 CA PHE A 74 -34.155 -4.302 -25.797 1.00 0.00 C ATOM 586 C PHE A 74 -34.932 -4.905 -24.621 1.00 0.00 C ATOM 587 O PHE A 74 -34.556 -4.729 -23.482 1.00 0.00 O ATOM 588 CB PHE A 74 -33.199 -5.349 -26.372 1.00 0.00 C ATOM 589 CG PHE A 74 -33.261 -5.295 -27.880 1.00 0.00 C ATOM 590 CD1 PHE A 74 -33.089 -4.074 -28.540 1.00 0.00 C ATOM 591 CD2 PHE A 74 -33.492 -6.464 -28.615 1.00 0.00 C ATOM 592 CE1 PHE A 74 -33.150 -4.020 -29.939 1.00 0.00 C ATOM 593 CE2 PHE A 74 -33.552 -6.410 -30.013 1.00 0.00 C ATOM 594 CZ PHE A 74 -33.381 -5.188 -30.675 1.00 0.00 C ATOM 0 H PHE A 74 -32.427 -3.056 -25.697 1.00 0.00 H new ATOM 0 HA PHE A 74 -34.856 -3.989 -26.570 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -32.182 -5.158 -26.030 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -33.473 -6.343 -26.019 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -32.909 -3.173 -27.972 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -33.624 -7.406 -28.104 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -33.019 -3.077 -30.449 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -33.730 -7.311 -30.581 1.00 0.00 H new ATOM 0 HZ PHE A 74 -33.427 -5.147 -31.753 1.00 0.00 H new ATOM 595 N PRO A 75 -35.997 -5.596 -24.933 1.00 0.00 N ATOM 596 CA PRO A 75 -36.851 -6.237 -23.917 1.00 0.00 C ATOM 597 C PRO A 75 -36.197 -7.523 -23.399 1.00 0.00 C ATOM 598 O PRO A 75 -35.567 -8.251 -24.142 1.00 0.00 O ATOM 599 CB PRO A 75 -38.142 -6.547 -24.679 1.00 0.00 C ATOM 600 CG PRO A 75 -37.765 -6.591 -26.180 1.00 0.00 C ATOM 601 CD PRO A 75 -36.447 -5.805 -26.325 1.00 0.00 C ATOM 0 HA PRO A 75 -37.019 -5.611 -23.041 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -38.564 -7.499 -24.357 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -38.897 -5.784 -24.491 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -37.642 -7.620 -26.519 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -38.551 -6.146 -26.790 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -35.711 -6.364 -26.902 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -36.603 -4.857 -26.840 1.00 0.00 H new ATOM 602 N PHE A 76 -36.341 -7.809 -22.133 1.00 0.00 N ATOM 603 CA PHE A 76 -35.729 -9.044 -21.575 1.00 0.00 C ATOM 604 C PHE A 76 -36.109 -9.174 -20.100 1.00 0.00 C ATOM 605 O PHE A 76 -35.833 -8.304 -19.298 1.00 0.00 O ATOM 606 CB PHE A 76 -34.206 -8.966 -21.710 1.00 0.00 C ATOM 607 CG PHE A 76 -33.653 -10.359 -21.880 1.00 0.00 C ATOM 608 CD1 PHE A 76 -34.069 -11.146 -22.960 1.00 0.00 C ATOM 609 CD2 PHE A 76 -32.731 -10.866 -20.957 1.00 0.00 C ATOM 610 CE1 PHE A 76 -33.564 -12.443 -23.115 1.00 0.00 C ATOM 611 CE2 PHE A 76 -32.227 -12.161 -21.114 1.00 0.00 C ATOM 612 CZ PHE A 76 -32.644 -12.951 -22.192 1.00 0.00 C ATOM 0 H PHE A 76 -36.857 -7.239 -21.463 1.00 0.00 H new ATOM 0 HA PHE A 76 -36.094 -9.913 -22.122 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -33.936 -8.347 -22.566 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -33.774 -8.495 -20.827 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -34.779 -10.753 -23.673 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -32.409 -10.258 -20.125 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -33.885 -13.051 -23.948 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -31.515 -12.552 -20.403 1.00 0.00 H new ATOM 0 HZ PHE A 76 -32.256 -13.952 -22.311 1.00 0.00 H new ATOM 613 N TYR A 77 -36.741 -10.256 -19.741 1.00 0.00 N ATOM 614 CA TYR A 77 -37.146 -10.461 -18.320 1.00 0.00 C ATOM 615 C TYR A 77 -38.172 -9.402 -17.914 1.00 0.00 C ATOM 616 O TYR A 77 -38.202 -8.953 -16.784 1.00 0.00 O ATOM 617 CB TYR A 77 -35.917 -10.373 -17.413 1.00 0.00 C ATOM 618 CG TYR A 77 -35.103 -11.636 -17.563 1.00 0.00 C ATOM 619 CD1 TYR A 77 -34.684 -12.049 -18.832 1.00 0.00 C ATOM 620 CD2 TYR A 77 -34.774 -12.398 -16.436 1.00 0.00 C ATOM 621 CE1 TYR A 77 -33.937 -13.221 -18.977 1.00 0.00 C ATOM 622 CE2 TYR A 77 -34.025 -13.574 -16.582 1.00 0.00 C ATOM 623 CZ TYR A 77 -33.608 -13.984 -17.852 1.00 0.00 C ATOM 624 OH TYR A 77 -32.870 -15.143 -17.997 1.00 0.00 O ATOM 0 H TYR A 77 -36.997 -11.013 -20.375 1.00 0.00 H new ATOM 0 HA TYR A 77 -37.595 -11.448 -18.215 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -35.315 -9.504 -17.678 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -36.224 -10.244 -16.375 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -34.938 -11.461 -19.701 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -35.097 -12.080 -15.455 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -33.614 -13.538 -19.958 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -33.770 -14.163 -15.714 1.00 0.00 H new ATOM 0 HH TYR A 77 -33.387 -15.904 -17.661 1.00 0.00 H new ATOM 625 N ASP A 78 -39.024 -9.010 -18.821 1.00 0.00 N ATOM 626 CA ASP A 78 -40.060 -7.993 -18.485 1.00 0.00 C ATOM 627 C ASP A 78 -39.409 -6.625 -18.285 1.00 0.00 C ATOM 628 O ASP A 78 -40.045 -5.686 -17.849 1.00 0.00 O ATOM 629 CB ASP A 78 -40.772 -8.405 -17.196 1.00 0.00 C ATOM 630 CG ASP A 78 -42.267 -8.579 -17.468 1.00 0.00 C ATOM 631 OD1 ASP A 78 -42.815 -7.762 -18.191 1.00 0.00 O ATOM 632 OD2 ASP A 78 -42.838 -9.523 -16.950 1.00 0.00 O ATOM 0 H ASP A 78 -39.047 -9.351 -19.782 1.00 0.00 H new ATOM 0 HA ASP A 78 -40.777 -7.931 -19.304 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -40.350 -9.336 -16.818 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -40.618 -7.649 -16.426 1.00 0.00 H new ATOM 633 N LYS A 79 -38.148 -6.499 -18.592 1.00 0.00 N ATOM 634 CA LYS A 79 -37.474 -5.183 -18.405 1.00 0.00 C ATOM 635 C LYS A 79 -36.452 -4.954 -19.520 1.00 0.00 C ATOM 636 O LYS A 79 -36.020 -5.887 -20.166 1.00 0.00 O ATOM 637 CB LYS A 79 -36.756 -5.172 -17.056 1.00 0.00 C ATOM 638 CG LYS A 79 -37.446 -4.175 -16.119 1.00 0.00 C ATOM 639 CD LYS A 79 -36.418 -3.590 -15.147 1.00 0.00 C ATOM 640 CE LYS A 79 -36.113 -4.612 -14.052 1.00 0.00 C ATOM 641 NZ LYS A 79 -35.523 -3.917 -12.872 1.00 0.00 N ATOM 0 H LYS A 79 -37.558 -7.244 -18.962 1.00 0.00 H new ATOM 0 HA LYS A 79 -38.222 -4.391 -18.436 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -36.769 -6.169 -16.617 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -35.710 -4.897 -17.191 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -37.910 -3.377 -16.698 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -38.243 -4.672 -15.566 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -35.504 -3.329 -15.681 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -36.802 -2.671 -14.705 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -37.025 -5.133 -13.762 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -35.421 -5.366 -14.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -34.889 -4.568 -12.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -34.983 -3.087 -13.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -36.284 -3.610 -12.234 1.00 0.00 H new ATOM 642 N PRO A 80 -36.090 -3.709 -19.704 1.00 0.00 N ATOM 643 CA PRO A 80 -35.108 -3.313 -20.727 1.00 0.00 C ATOM 644 C PRO A 80 -33.691 -3.629 -20.241 1.00 0.00 C ATOM 645 O PRO A 80 -33.357 -3.416 -19.093 1.00 0.00 O ATOM 646 CB PRO A 80 -35.320 -1.803 -20.864 1.00 0.00 C ATOM 647 CG PRO A 80 -35.986 -1.334 -19.547 1.00 0.00 C ATOM 648 CD PRO A 80 -36.623 -2.583 -18.909 1.00 0.00 C ATOM 0 HA PRO A 80 -35.231 -3.838 -21.674 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -34.371 -1.290 -21.023 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -35.953 -1.576 -21.722 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -35.250 -0.889 -18.877 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -36.740 -0.572 -19.744 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -36.352 -2.675 -17.857 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -37.711 -2.543 -18.956 1.00 0.00 H new ATOM 649 N MET A 81 -32.858 -4.144 -21.102 1.00 0.00 N ATOM 650 CA MET A 81 -31.471 -4.481 -20.680 1.00 0.00 C ATOM 651 C MET A 81 -30.559 -3.273 -20.866 1.00 0.00 C ATOM 652 O MET A 81 -29.942 -3.107 -21.899 1.00 0.00 O ATOM 653 CB MET A 81 -30.939 -5.638 -21.528 1.00 0.00 C ATOM 654 CG MET A 81 -31.725 -6.909 -21.209 1.00 0.00 C ATOM 655 SD MET A 81 -31.451 -8.129 -22.517 1.00 0.00 S ATOM 656 CE MET A 81 -32.313 -7.242 -23.838 1.00 0.00 C ATOM 0 H MET A 81 -33.078 -4.346 -22.077 1.00 0.00 H new ATOM 0 HA MET A 81 -31.486 -4.768 -19.629 1.00 0.00 H new ATOM 0 HB2 MET A 81 -31.030 -5.398 -22.587 1.00 0.00 H new ATOM 0 HB3 MET A 81 -29.879 -5.793 -21.326 1.00 0.00 H new ATOM 0 HG2 MET A 81 -31.409 -7.313 -20.247 1.00 0.00 H new ATOM 0 HG3 MET A 81 -32.788 -6.681 -21.126 1.00 0.00 H new ATOM 0 HE1 MET A 81 -32.720 -7.958 -24.552 1.00 0.00 H new ATOM 0 HE2 MET A 81 -33.125 -6.653 -23.411 1.00 0.00 H new ATOM 0 HE3 MET A 81 -31.614 -6.579 -24.348 1.00 0.00 H new ATOM 657 N ARG A 82 -30.443 -2.443 -19.869 1.00 0.00 N ATOM 658 CA ARG A 82 -29.539 -1.271 -19.990 1.00 0.00 C ATOM 659 C ARG A 82 -28.106 -1.786 -19.877 1.00 0.00 C ATOM 660 O ARG A 82 -27.514 -1.774 -18.817 1.00 0.00 O ATOM 661 CB ARG A 82 -29.822 -0.278 -18.859 1.00 0.00 C ATOM 662 CG ARG A 82 -28.673 0.726 -18.758 1.00 0.00 C ATOM 663 CD ARG A 82 -29.231 2.149 -18.809 1.00 0.00 C ATOM 664 NE ARG A 82 -28.569 2.902 -19.912 1.00 0.00 N ATOM 665 CZ ARG A 82 -28.110 4.105 -19.699 1.00 0.00 C ATOM 666 NH1 ARG A 82 -28.825 4.969 -19.031 1.00 0.00 N ATOM 667 NH2 ARG A 82 -26.935 4.445 -20.154 1.00 0.00 N ATOM 0 H ARG A 82 -30.934 -2.526 -18.979 1.00 0.00 H new ATOM 0 HA ARG A 82 -29.693 -0.762 -20.942 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -30.760 0.245 -19.047 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -29.937 -0.810 -17.915 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -28.123 0.573 -17.829 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -27.968 0.571 -19.575 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -30.309 2.123 -18.968 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -29.061 2.652 -17.857 1.00 0.00 H new ATOM 0 HE ARG A 82 -28.475 2.477 -20.834 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -29.743 4.704 -18.675 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -28.465 5.909 -18.865 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -26.376 3.771 -20.676 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -26.576 5.385 -19.988 1.00 0.00 H new ATOM 668 N ILE A 83 -27.552 -2.268 -20.955 1.00 0.00 N ATOM 669 CA ILE A 83 -26.175 -2.810 -20.893 1.00 0.00 C ATOM 670 C ILE A 83 -25.188 -1.686 -20.631 1.00 0.00 C ATOM 671 O ILE A 83 -25.513 -0.517 -20.691 1.00 0.00 O ATOM 672 CB ILE A 83 -25.824 -3.500 -22.210 1.00 0.00 C ATOM 673 CG1 ILE A 83 -27.000 -4.370 -22.650 1.00 0.00 C ATOM 674 CG2 ILE A 83 -24.593 -4.386 -22.012 1.00 0.00 C ATOM 675 CD1 ILE A 83 -27.430 -3.971 -24.059 1.00 0.00 C ATOM 0 H ILE A 83 -27.996 -2.308 -21.872 1.00 0.00 H new ATOM 0 HA ILE A 83 -26.120 -3.536 -20.082 1.00 0.00 H new ATOM 0 HB ILE A 83 -25.614 -2.747 -22.970 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -26.715 -5.422 -22.629 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -27.833 -4.252 -21.957 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -24.344 -4.878 -22.952 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -23.752 -3.773 -21.689 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -24.805 -5.140 -21.254 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -28.269 -4.592 -24.373 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -27.732 -2.924 -24.064 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -26.597 -4.112 -24.747 1.00 0.00 H new ATOM 676 N GLN A 84 -23.984 -2.049 -20.338 1.00 0.00 N ATOM 677 CA GLN A 84 -22.935 -1.048 -20.060 1.00 0.00 C ATOM 678 C GLN A 84 -21.620 -1.797 -19.957 1.00 0.00 C ATOM 679 O GLN A 84 -21.375 -2.494 -18.993 1.00 0.00 O ATOM 680 CB GLN A 84 -23.203 -0.307 -18.739 1.00 0.00 C ATOM 681 CG GLN A 84 -24.430 -0.885 -18.014 1.00 0.00 C ATOM 682 CD GLN A 84 -24.151 -0.945 -16.514 1.00 0.00 C ATOM 683 OE1 GLN A 84 -23.752 0.034 -15.916 1.00 0.00 O ATOM 684 NE2 GLN A 84 -24.347 -2.067 -15.879 1.00 0.00 N ATOM 0 H GLN A 84 -23.675 -3.019 -20.278 1.00 0.00 H new ATOM 0 HA GLN A 84 -22.916 -0.304 -20.856 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -22.328 -0.382 -18.094 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -23.362 0.753 -18.939 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -25.306 -0.266 -18.208 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -24.654 -1.882 -18.394 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -24.682 -2.887 -16.384 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -24.165 -2.124 -14.877 1.00 0.00 H new ATOM 685 N TYR A 85 -20.795 -1.678 -20.959 1.00 0.00 N ATOM 686 CA TYR A 85 -19.482 -2.394 -20.963 1.00 0.00 C ATOM 687 C TYR A 85 -18.972 -2.552 -19.531 1.00 0.00 C ATOM 688 O TYR A 85 -19.094 -1.656 -18.718 1.00 0.00 O ATOM 689 CB TYR A 85 -18.485 -1.602 -21.797 1.00 0.00 C ATOM 690 CG TYR A 85 -19.024 -1.437 -23.202 1.00 0.00 C ATOM 691 CD1 TYR A 85 -18.725 -2.386 -24.194 1.00 0.00 C ATOM 692 CD2 TYR A 85 -19.798 -0.315 -23.523 1.00 0.00 C ATOM 693 CE1 TYR A 85 -19.190 -2.202 -25.500 1.00 0.00 C ATOM 694 CE2 TYR A 85 -20.268 -0.137 -24.817 1.00 0.00 C ATOM 695 CZ TYR A 85 -19.963 -1.073 -25.814 1.00 0.00 C ATOM 696 OH TYR A 85 -20.424 -0.880 -27.100 1.00 0.00 O ATOM 0 H TYR A 85 -20.974 -1.109 -21.787 1.00 0.00 H new ATOM 0 HA TYR A 85 -19.605 -3.386 -21.397 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -18.311 -0.625 -21.345 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -17.525 -2.117 -21.822 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -18.136 -3.257 -23.948 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -20.030 0.414 -22.761 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -18.955 -2.927 -26.265 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -20.871 0.726 -25.056 1.00 0.00 H new ATOM 0 HH TYR A 85 -19.663 -0.787 -27.710 1.00 0.00 H new ATOM 697 N ALA A 86 -18.428 -3.689 -19.201 1.00 0.00 N ATOM 698 CA ALA A 86 -17.947 -3.903 -17.815 1.00 0.00 C ATOM 699 C ALA A 86 -16.680 -3.122 -17.583 1.00 0.00 C ATOM 700 O ALA A 86 -16.009 -2.701 -18.504 1.00 0.00 O ATOM 701 CB ALA A 86 -17.668 -5.392 -17.597 1.00 0.00 C ATOM 0 H ALA A 86 -18.297 -4.478 -19.834 1.00 0.00 H new ATOM 0 HA ALA A 86 -18.712 -3.564 -17.116 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -17.314 -5.551 -16.578 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -18.584 -5.961 -17.756 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -16.907 -5.726 -18.302 1.00 0.00 H new ATOM 702 N LYS A 87 -16.330 -2.964 -16.348 1.00 0.00 N ATOM 703 CA LYS A 87 -15.075 -2.263 -16.023 1.00 0.00 C ATOM 704 C LYS A 87 -13.999 -3.335 -16.028 1.00 0.00 C ATOM 705 O LYS A 87 -13.265 -3.503 -15.075 1.00 0.00 O ATOM 706 CB LYS A 87 -15.179 -1.627 -14.636 1.00 0.00 C ATOM 707 CG LYS A 87 -16.228 -0.513 -14.662 1.00 0.00 C ATOM 708 CD LYS A 87 -15.676 0.690 -15.426 1.00 0.00 C ATOM 709 CE LYS A 87 -16.837 1.525 -15.970 1.00 0.00 C ATOM 710 NZ LYS A 87 -16.298 2.686 -16.735 1.00 0.00 N ATOM 0 H LYS A 87 -16.865 -3.293 -15.544 1.00 0.00 H new ATOM 0 HA LYS A 87 -14.855 -1.466 -16.734 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -15.452 -2.381 -13.898 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -14.212 -1.223 -14.336 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -17.142 -0.871 -15.137 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -16.490 -0.222 -13.645 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -15.054 1.297 -14.769 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -15.041 0.354 -16.245 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -17.469 0.913 -16.614 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -17.463 1.875 -15.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -17.087 3.254 -17.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -15.713 3.274 -16.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -15.718 2.341 -17.527 1.00 0.00 H new ATOM 711 N THR A 88 -13.950 -4.101 -17.088 1.00 0.00 N ATOM 712 CA THR A 88 -12.982 -5.207 -17.172 1.00 0.00 C ATOM 713 C THR A 88 -13.355 -6.240 -16.112 1.00 0.00 C ATOM 714 O THR A 88 -12.696 -6.386 -15.102 1.00 0.00 O ATOM 715 CB THR A 88 -11.584 -4.693 -16.911 1.00 0.00 C ATOM 716 OG1 THR A 88 -11.191 -3.819 -17.962 1.00 0.00 O ATOM 717 CG2 THR A 88 -10.652 -5.890 -16.850 1.00 0.00 C ATOM 0 H THR A 88 -14.553 -3.996 -17.904 1.00 0.00 H new ATOM 0 HA THR A 88 -13.006 -5.653 -18.166 1.00 0.00 H new ATOM 0 HB THR A 88 -11.547 -4.140 -15.973 1.00 0.00 H new ATOM 0 HG1 THR A 88 -10.286 -3.486 -17.789 1.00 0.00 H new ATOM 0 HG21 THR A 88 -9.634 -5.549 -16.662 1.00 0.00 H new ATOM 0 HG22 THR A 88 -10.966 -6.555 -16.046 1.00 0.00 H new ATOM 0 HG23 THR A 88 -10.686 -6.426 -17.798 1.00 0.00 H new ATOM 718 N ASP A 89 -14.430 -6.938 -16.330 1.00 0.00 N ATOM 719 CA ASP A 89 -14.888 -7.947 -15.338 1.00 0.00 C ATOM 720 C ASP A 89 -14.183 -9.280 -15.575 1.00 0.00 C ATOM 721 O ASP A 89 -14.547 -10.285 -15.005 1.00 0.00 O ATOM 722 CB ASP A 89 -16.395 -8.144 -15.486 1.00 0.00 C ATOM 723 CG ASP A 89 -17.131 -7.161 -14.575 1.00 0.00 C ATOM 724 OD1 ASP A 89 -16.761 -7.067 -13.416 1.00 0.00 O ATOM 725 OD2 ASP A 89 -18.053 -6.519 -15.050 1.00 0.00 O ATOM 0 H ASP A 89 -15.017 -6.853 -17.160 1.00 0.00 H new ATOM 0 HA ASP A 89 -14.651 -7.593 -14.335 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -16.693 -7.988 -16.523 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -16.666 -9.168 -15.228 1.00 0.00 H new ATOM 726 N SER A 90 -13.183 -9.306 -16.405 1.00 0.00 N ATOM 727 CA SER A 90 -12.476 -10.593 -16.655 1.00 0.00 C ATOM 728 C SER A 90 -11.934 -11.127 -15.326 1.00 0.00 C ATOM 729 O SER A 90 -12.034 -12.302 -15.027 1.00 0.00 O ATOM 730 CB SER A 90 -11.325 -10.370 -17.635 1.00 0.00 C ATOM 731 OG SER A 90 -10.269 -11.272 -17.333 1.00 0.00 O ATOM 0 H SER A 90 -12.825 -8.501 -16.919 1.00 0.00 H new ATOM 0 HA SER A 90 -13.168 -11.316 -17.086 1.00 0.00 H new ATOM 0 HB2 SER A 90 -11.668 -10.524 -18.658 1.00 0.00 H new ATOM 0 HB3 SER A 90 -10.970 -9.342 -17.569 1.00 0.00 H new ATOM 0 HG SER A 90 -9.530 -11.132 -17.961 1.00 0.00 H new ATOM 732 N ASP A 91 -11.380 -10.271 -14.513 1.00 0.00 N ATOM 733 CA ASP A 91 -10.871 -10.741 -13.198 1.00 0.00 C ATOM 734 C ASP A 91 -12.056 -11.324 -12.434 1.00 0.00 C ATOM 735 O ASP A 91 -11.928 -12.243 -11.649 1.00 0.00 O ATOM 736 CB ASP A 91 -10.278 -9.563 -12.421 1.00 0.00 C ATOM 737 CG ASP A 91 -8.965 -9.129 -13.077 1.00 0.00 C ATOM 738 OD1 ASP A 91 -8.085 -9.964 -13.206 1.00 0.00 O ATOM 739 OD2 ASP A 91 -8.862 -7.969 -13.439 1.00 0.00 O ATOM 0 H ASP A 91 -11.259 -9.276 -14.701 1.00 0.00 H new ATOM 0 HA ASP A 91 -10.091 -11.491 -13.330 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -10.982 -8.731 -12.407 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -10.102 -9.849 -11.384 1.00 0.00 H new ATOM 740 N ILE A 92 -13.223 -10.797 -12.690 1.00 0.00 N ATOM 741 CA ILE A 92 -14.444 -11.310 -12.018 1.00 0.00 C ATOM 742 C ILE A 92 -14.789 -12.671 -12.626 1.00 0.00 C ATOM 743 O ILE A 92 -15.331 -13.537 -11.972 1.00 0.00 O ATOM 744 CB ILE A 92 -15.587 -10.302 -12.229 1.00 0.00 C ATOM 745 CG1 ILE A 92 -16.293 -10.042 -10.899 1.00 0.00 C ATOM 746 CG2 ILE A 92 -16.610 -10.824 -13.245 1.00 0.00 C ATOM 747 CD1 ILE A 92 -17.299 -8.906 -11.080 1.00 0.00 C ATOM 0 H ILE A 92 -13.380 -10.028 -13.341 1.00 0.00 H new ATOM 0 HA ILE A 92 -14.285 -11.431 -10.946 1.00 0.00 H new ATOM 0 HB ILE A 92 -15.155 -9.379 -12.615 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -16.802 -10.945 -10.561 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -15.565 -9.780 -10.132 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -17.405 -10.089 -13.372 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -16.118 -10.995 -14.202 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -17.036 -11.760 -12.884 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -17.806 -8.715 -10.134 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -16.776 -8.005 -11.400 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -18.033 -9.187 -11.835 1.00 0.00 H new ATOM 748 N ILE A 93 -14.452 -12.873 -13.872 1.00 0.00 N ATOM 749 CA ILE A 93 -14.730 -14.178 -14.498 1.00 0.00 C ATOM 750 C ILE A 93 -14.007 -15.192 -13.647 1.00 0.00 C ATOM 751 O ILE A 93 -14.502 -16.269 -13.381 1.00 0.00 O ATOM 752 CB ILE A 93 -14.211 -14.175 -15.949 1.00 0.00 C ATOM 753 CG1 ILE A 93 -15.380 -13.912 -16.899 1.00 0.00 C ATOM 754 CG2 ILE A 93 -13.565 -15.520 -16.303 1.00 0.00 C ATOM 755 CD1 ILE A 93 -15.815 -12.451 -16.775 1.00 0.00 C ATOM 0 H ILE A 93 -13.998 -12.187 -14.474 1.00 0.00 H new ATOM 0 HA ILE A 93 -15.795 -14.406 -14.548 1.00 0.00 H new ATOM 0 HB ILE A 93 -13.459 -13.393 -16.048 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -15.085 -14.129 -17.926 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -16.213 -14.573 -16.660 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -13.207 -15.492 -17.332 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -12.727 -15.709 -15.632 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -14.301 -16.317 -16.197 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -16.648 -12.261 -17.451 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -16.126 -12.250 -15.750 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -14.981 -11.800 -17.035 1.00 0.00 H new ATOM 756 N ALA A 94 -12.851 -14.835 -13.175 1.00 0.00 N ATOM 757 CA ALA A 94 -12.147 -15.779 -12.298 1.00 0.00 C ATOM 758 C ALA A 94 -12.959 -15.874 -11.028 1.00 0.00 C ATOM 759 O ALA A 94 -13.064 -16.920 -10.432 1.00 0.00 O ATOM 760 CB ALA A 94 -10.738 -15.306 -11.948 1.00 0.00 C ATOM 0 H ALA A 94 -12.378 -13.950 -13.357 1.00 0.00 H new ATOM 0 HA ALA A 94 -12.045 -16.737 -12.807 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -10.259 -16.038 -11.298 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -10.154 -15.195 -12.862 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -10.793 -14.346 -11.434 1.00 0.00 H new ATOM 761 N LYS A 95 -13.553 -14.775 -10.610 1.00 0.00 N ATOM 762 CA LYS A 95 -14.377 -14.800 -9.388 1.00 0.00 C ATOM 763 C LYS A 95 -15.115 -16.136 -9.351 1.00 0.00 C ATOM 764 O LYS A 95 -15.333 -16.722 -8.309 1.00 0.00 O ATOM 765 CB LYS A 95 -15.385 -13.652 -9.422 1.00 0.00 C ATOM 766 CG LYS A 95 -15.896 -13.374 -8.007 1.00 0.00 C ATOM 767 CD LYS A 95 -15.092 -12.228 -7.390 1.00 0.00 C ATOM 768 CE LYS A 95 -13.853 -12.791 -6.693 1.00 0.00 C ATOM 769 NZ LYS A 95 -13.382 -11.823 -5.663 1.00 0.00 N ATOM 0 H LYS A 95 -13.493 -13.869 -11.074 1.00 0.00 H new ATOM 0 HA LYS A 95 -13.752 -14.686 -8.503 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -14.918 -12.757 -9.833 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -16.218 -13.906 -10.077 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -16.955 -13.116 -8.035 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -15.803 -14.270 -7.393 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -14.796 -11.519 -8.164 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -15.707 -11.681 -6.675 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -14.087 -13.749 -6.228 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -13.064 -12.975 -7.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -12.342 -11.822 -5.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -13.724 -10.870 -5.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -13.751 -12.101 -4.731 1.00 0.00 H new ATOM 770 N MET A 96 -15.458 -16.636 -10.516 1.00 0.00 N ATOM 771 CA MET A 96 -16.132 -17.956 -10.600 1.00 0.00 C ATOM 772 C MET A 96 -15.072 -19.064 -10.449 1.00 0.00 C ATOM 773 O MET A 96 -15.211 -19.956 -9.637 1.00 0.00 O ATOM 774 CB MET A 96 -16.825 -18.083 -11.958 1.00 0.00 C ATOM 775 CG MET A 96 -17.718 -16.861 -12.189 1.00 0.00 C ATOM 776 SD MET A 96 -19.258 -17.056 -11.257 1.00 0.00 S ATOM 777 CE MET A 96 -19.465 -15.319 -10.795 1.00 0.00 C ATOM 0 H MET A 96 -15.296 -16.178 -11.413 1.00 0.00 H new ATOM 0 HA MET A 96 -16.876 -18.050 -9.809 1.00 0.00 H new ATOM 0 HB2 MET A 96 -16.082 -18.160 -12.752 1.00 0.00 H new ATOM 0 HB3 MET A 96 -17.422 -18.995 -11.990 1.00 0.00 H new ATOM 0 HG2 MET A 96 -17.201 -15.955 -11.873 1.00 0.00 H new ATOM 0 HG3 MET A 96 -17.935 -16.751 -13.252 1.00 0.00 H new ATOM 0 HE1 MET A 96 -20.322 -15.219 -10.129 1.00 0.00 H new ATOM 0 HE2 MET A 96 -18.567 -14.968 -10.286 1.00 0.00 H new ATOM 0 HE3 MET A 96 -19.630 -14.721 -11.691 1.00 0.00 H new ATOM 778 N LYS A 97 -14.004 -19.010 -11.220 1.00 0.00 N ATOM 779 CA LYS A 97 -12.949 -20.043 -11.112 1.00 0.00 C ATOM 780 C LYS A 97 -11.734 -19.483 -10.488 1.00 0.00 C ATOM 781 O LYS A 97 -11.196 -19.999 -9.527 1.00 0.00 O ATOM 782 CB LYS A 97 -12.594 -20.600 -12.473 1.00 0.00 C ATOM 783 CG LYS A 97 -13.262 -21.941 -12.607 1.00 0.00 C ATOM 784 CD LYS A 97 -14.546 -21.752 -13.407 1.00 0.00 C ATOM 785 CE LYS A 97 -15.715 -22.401 -12.663 1.00 0.00 C ATOM 786 NZ LYS A 97 -16.011 -23.731 -13.267 1.00 0.00 N ATOM 0 H LYS A 97 -13.829 -18.287 -11.918 1.00 0.00 H new ATOM 0 HA LYS A 97 -13.340 -20.847 -10.488 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -12.929 -19.926 -13.261 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -11.513 -20.699 -12.576 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -12.601 -22.647 -13.109 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -13.484 -22.356 -11.624 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -14.741 -20.690 -13.555 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -14.439 -22.198 -14.396 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -15.469 -22.516 -11.607 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -16.595 -21.761 -12.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -16.806 -24.173 -12.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -16.263 -23.609 -14.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -15.172 -24.341 -13.193 1.00 0.00 H new ATOM 787 N GLY A 98 -11.336 -18.409 -10.984 1.00 0.00 N ATOM 788 CA GLY A 98 -10.192 -17.738 -10.393 1.00 0.00 C ATOM 789 C GLY A 98 -10.722 -16.947 -9.209 1.00 0.00 C ATOM 790 O GLY A 98 -10.206 -15.898 -8.881 1.00 0.00 O ATOM 0 H GLY A 98 -11.752 -17.944 -11.791 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -9.441 -18.460 -10.073 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -9.712 -17.079 -11.117 1.00 0.00 H new ATOM 791 N THR A 99 -11.732 -17.475 -8.510 1.00 0.00 N ATOM 792 CA THR A 99 -12.246 -16.789 -7.296 1.00 0.00 C ATOM 793 C THR A 99 -11.011 -16.354 -6.554 1.00 0.00 C ATOM 794 O THR A 99 -10.978 -15.349 -5.876 1.00 0.00 O ATOM 795 CB THR A 99 -13.047 -17.775 -6.442 1.00 0.00 C ATOM 796 OG1 THR A 99 -12.143 -18.607 -5.728 1.00 0.00 O ATOM 797 CG2 THR A 99 -13.930 -18.641 -7.342 1.00 0.00 C ATOM 0 H THR A 99 -12.205 -18.348 -8.745 1.00 0.00 H new ATOM 0 HA THR A 99 -12.904 -15.954 -7.535 1.00 0.00 H new ATOM 0 HB THR A 99 -13.678 -17.225 -5.744 1.00 0.00 H new ATOM 0 HG1 THR A 99 -12.648 -19.241 -5.177 1.00 0.00 H new ATOM 0 HG21 THR A 99 -14.498 -19.341 -6.729 1.00 0.00 H new ATOM 0 HG22 THR A 99 -14.618 -18.004 -7.898 1.00 0.00 H new ATOM 0 HG23 THR A 99 -13.304 -19.196 -8.041 1.00 0.00 H new ATOM 798 N PHE A 100 -9.968 -17.113 -6.758 1.00 0.00 N ATOM 799 CA PHE A 100 -8.663 -16.770 -6.167 1.00 0.00 C ATOM 800 C PHE A 100 -8.772 -16.666 -4.642 1.00 0.00 C ATOM 801 O PHE A 100 -9.794 -16.290 -4.105 1.00 0.00 O ATOM 802 CB PHE A 100 -8.157 -15.473 -6.817 1.00 0.00 C ATOM 803 CG PHE A 100 -8.690 -14.272 -6.109 1.00 0.00 C ATOM 804 CD1 PHE A 100 -8.299 -14.001 -4.804 1.00 0.00 C ATOM 805 CD2 PHE A 100 -9.580 -13.427 -6.770 1.00 0.00 C ATOM 806 CE1 PHE A 100 -8.798 -12.887 -4.150 1.00 0.00 C ATOM 807 CE2 PHE A 100 -10.084 -12.308 -6.121 1.00 0.00 C ATOM 808 CZ PHE A 100 -9.696 -12.031 -4.803 1.00 0.00 C ATOM 0 H PHE A 100 -9.975 -17.965 -7.318 1.00 0.00 H new ATOM 0 HA PHE A 100 -7.935 -17.557 -6.365 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -7.067 -15.455 -6.799 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -8.459 -15.446 -7.864 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -7.606 -14.659 -4.300 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -9.877 -13.643 -7.786 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -8.495 -12.677 -3.135 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -10.774 -11.652 -6.631 1.00 0.00 H new ATOM 0 HZ PHE A 100 -10.087 -11.163 -4.293 1.00 0.00 H new ATOM 809 N VAL A 101 -7.724 -17.015 -3.942 1.00 0.00 N ATOM 810 CA VAL A 101 -7.756 -16.965 -2.455 1.00 0.00 C ATOM 811 C VAL A 101 -7.331 -15.579 -1.957 1.00 0.00 C ATOM 812 O VAL A 101 -6.460 -14.944 -2.520 1.00 0.00 O ATOM 813 CB VAL A 101 -6.789 -18.013 -1.919 1.00 0.00 C ATOM 814 CG1 VAL A 101 -6.712 -17.916 -0.396 1.00 0.00 C ATOM 815 CG2 VAL A 101 -7.281 -19.405 -2.319 1.00 0.00 C ATOM 0 H VAL A 101 -6.842 -17.335 -4.342 1.00 0.00 H new ATOM 0 HA VAL A 101 -8.769 -17.163 -2.105 1.00 0.00 H new ATOM 0 HB VAL A 101 -5.798 -17.840 -2.338 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -6.019 -18.668 -0.018 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -6.361 -16.924 -0.112 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -7.701 -18.087 0.030 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -6.592 -20.158 -1.937 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -8.273 -19.575 -1.900 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -7.330 -19.475 -3.406 1.00 0.00 H new ATOM 816 N GLU A 102 -7.947 -15.107 -0.907 1.00 0.00 N ATOM 817 CA GLU A 102 -7.609 -13.782 -0.366 1.00 0.00 C ATOM 818 C GLU A 102 -6.463 -13.888 0.647 1.00 0.00 C ATOM 819 O GLU A 102 -6.645 -13.645 1.823 1.00 0.00 O ATOM 820 CB GLU A 102 -8.838 -13.192 0.329 1.00 0.00 C ATOM 821 CG GLU A 102 -9.264 -11.910 -0.385 1.00 0.00 C ATOM 822 CD GLU A 102 -8.586 -10.708 0.277 1.00 0.00 C ATOM 823 OE1 GLU A 102 -7.372 -10.616 0.191 1.00 0.00 O ATOM 824 OE2 GLU A 102 -9.292 -9.901 0.859 1.00 0.00 O ATOM 0 H GLU A 102 -8.682 -15.601 -0.400 1.00 0.00 H new ATOM 0 HA GLU A 102 -7.295 -13.139 -1.188 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -9.655 -13.914 0.320 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -8.611 -12.980 1.374 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -8.991 -11.960 -1.439 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -10.348 -11.800 -0.341 1.00 0.00 H new ATOM 825 N ARG A 103 -5.284 -14.238 0.207 1.00 0.00 N ATOM 826 CA ARG A 103 -4.142 -14.341 1.164 1.00 0.00 C ATOM 827 C ARG A 103 -2.933 -14.976 0.473 1.00 0.00 C ATOM 828 O ARG A 103 -2.011 -14.296 0.071 1.00 0.00 O ATOM 829 CB ARG A 103 -4.551 -15.196 2.366 1.00 0.00 C ATOM 830 CG ARG A 103 -4.244 -14.434 3.658 1.00 0.00 C ATOM 831 CD ARG A 103 -2.756 -14.084 3.705 1.00 0.00 C ATOM 832 NE ARG A 103 -2.470 -13.282 4.928 1.00 0.00 N ATOM 833 CZ ARG A 103 -2.606 -11.983 4.905 1.00 0.00 C ATOM 834 NH1 ARG A 103 -1.975 -11.276 4.009 1.00 0.00 N ATOM 835 NH2 ARG A 103 -3.374 -11.393 5.780 1.00 0.00 N ATOM 0 H ARG A 103 -5.062 -14.455 -0.765 1.00 0.00 H new ATOM 0 HA ARG A 103 -3.874 -13.340 1.504 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -5.614 -15.432 2.314 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -4.013 -16.144 2.353 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -4.844 -13.525 3.707 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -4.513 -15.041 4.523 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -2.158 -14.995 3.707 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -2.476 -13.521 2.815 1.00 0.00 H new ATOM 0 HE ARG A 103 -2.168 -13.748 5.784 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -1.375 -11.737 3.325 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -2.082 -10.262 3.992 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -3.867 -11.946 6.481 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -3.481 -10.379 5.763 1.00 0.00 H new ATOM 836 N ASP A 104 -2.923 -16.274 0.338 1.00 0.00 N ATOM 837 CA ASP A 104 -1.764 -16.942 -0.318 1.00 0.00 C ATOM 838 C ASP A 104 -2.076 -17.180 -1.797 1.00 0.00 C ATOM 839 O ASP A 104 -3.100 -16.763 -2.301 1.00 0.00 O ATOM 840 CB ASP A 104 -1.488 -18.281 0.369 1.00 0.00 C ATOM 841 CG ASP A 104 0.021 -18.481 0.511 1.00 0.00 C ATOM 842 OD1 ASP A 104 0.761 -17.707 -0.076 1.00 0.00 O ATOM 843 OD2 ASP A 104 0.414 -19.406 1.204 1.00 0.00 O ATOM 0 H ASP A 104 -3.665 -16.899 0.653 1.00 0.00 H new ATOM 0 HA ASP A 104 -0.885 -16.303 -0.233 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -1.962 -18.303 1.350 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -1.920 -19.096 -0.212 1.00 0.00 H new ATOM 844 N ARG A 105 -1.200 -17.848 -2.494 1.00 0.00 N ATOM 845 CA ARG A 105 -1.441 -18.113 -3.937 1.00 0.00 C ATOM 846 C ARG A 105 -1.398 -19.619 -4.198 1.00 0.00 C ATOM 847 O ARG A 105 -0.869 -20.380 -3.412 1.00 0.00 O ATOM 848 CB ARG A 105 -0.358 -17.423 -4.768 1.00 0.00 C ATOM 849 CG ARG A 105 -0.647 -15.921 -4.842 1.00 0.00 C ATOM 850 CD ARG A 105 0.576 -15.182 -5.397 1.00 0.00 C ATOM 851 NE ARG A 105 1.359 -16.095 -6.280 1.00 0.00 N ATOM 852 CZ ARG A 105 1.653 -15.729 -7.498 1.00 0.00 C ATOM 853 NH1 ARG A 105 2.374 -14.662 -7.703 1.00 0.00 N ATOM 854 NH2 ARG A 105 1.225 -16.434 -8.511 1.00 0.00 N ATOM 0 H ARG A 105 -0.326 -18.222 -2.125 1.00 0.00 H new ATOM 0 HA ARG A 105 -2.421 -17.725 -4.217 1.00 0.00 H new ATOM 0 HB2 ARG A 105 0.621 -17.594 -4.321 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -0.329 -17.848 -5.771 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -1.513 -15.739 -5.479 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -0.894 -15.540 -3.851 1.00 0.00 H new ATOM 0 HD2 ARG A 105 0.258 -14.303 -5.958 1.00 0.00 H new ATOM 0 HD3 ARG A 105 1.202 -14.828 -4.578 1.00 0.00 H new ATOM 0 HE ARG A 105 1.664 -17.004 -5.932 1.00 0.00 H new ATOM 0 HH11 ARG A 105 2.709 -14.113 -6.911 1.00 0.00 H new ATOM 0 HH12 ARG A 105 2.603 -14.377 -8.655 1.00 0.00 H new ATOM 0 HH21 ARG A 105 0.662 -17.269 -8.350 1.00 0.00 H new ATOM 0 HH22 ARG A 105 1.454 -16.149 -9.463 1.00 0.00 H new ATOM 855 N LYS A 106 -1.950 -20.056 -5.297 1.00 0.00 N ATOM 856 CA LYS A 106 -1.937 -21.512 -5.608 1.00 0.00 C ATOM 857 C LYS A 106 -0.870 -21.796 -6.667 1.00 0.00 C ATOM 858 O LYS A 106 -0.601 -20.982 -7.526 1.00 0.00 O ATOM 859 CB LYS A 106 -3.311 -21.937 -6.134 1.00 0.00 C ATOM 860 CG LYS A 106 -3.693 -21.066 -7.332 1.00 0.00 C ATOM 861 CD LYS A 106 -4.843 -20.136 -6.940 1.00 0.00 C ATOM 862 CE LYS A 106 -6.176 -20.772 -7.342 1.00 0.00 C ATOM 863 NZ LYS A 106 -6.889 -21.247 -6.122 1.00 0.00 N ATOM 0 H LYS A 106 -2.409 -19.467 -5.992 1.00 0.00 H new ATOM 0 HA LYS A 106 -1.709 -22.075 -4.703 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -3.291 -22.987 -6.426 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -4.059 -21.839 -5.347 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -2.833 -20.481 -7.659 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -3.989 -21.694 -8.172 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -4.825 -19.952 -5.866 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -4.727 -19.170 -7.431 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -6.790 -20.047 -7.876 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -6.003 -21.606 -8.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -7.795 -21.679 -6.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -6.304 -21.952 -5.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -7.067 -20.442 -5.488 1.00 0.00 H new ATOM 864 N ARG A 107 -0.259 -22.947 -6.609 1.00 0.00 N ATOM 865 CA ARG A 107 0.793 -23.287 -7.610 1.00 0.00 C ATOM 866 C ARG A 107 0.255 -23.061 -9.026 1.00 0.00 C ATOM 867 O ARG A 107 1.008 -22.904 -9.966 1.00 0.00 O ATOM 868 CB ARG A 107 1.192 -24.754 -7.444 1.00 0.00 C ATOM 869 CG ARG A 107 2.714 -24.860 -7.345 1.00 0.00 C ATOM 870 CD ARG A 107 3.245 -25.703 -8.505 1.00 0.00 C ATOM 871 NE ARG A 107 2.805 -27.117 -8.334 1.00 0.00 N ATOM 872 CZ ARG A 107 3.691 -28.061 -8.171 1.00 0.00 C ATOM 873 NH1 ARG A 107 4.309 -28.186 -7.028 1.00 0.00 N ATOM 874 NH2 ARG A 107 3.960 -28.879 -9.150 1.00 0.00 N ATOM 0 H ARG A 107 -0.442 -23.668 -5.911 1.00 0.00 H new ATOM 0 HA ARG A 107 1.663 -22.649 -7.452 1.00 0.00 H new ATOM 0 HB2 ARG A 107 0.729 -25.169 -6.549 1.00 0.00 H new ATOM 0 HB3 ARG A 107 0.830 -25.338 -8.290 1.00 0.00 H new ATOM 0 HG2 ARG A 107 3.160 -23.866 -7.370 1.00 0.00 H new ATOM 0 HG3 ARG A 107 2.996 -25.312 -6.394 1.00 0.00 H new ATOM 0 HD2 ARG A 107 2.878 -25.309 -9.453 1.00 0.00 H new ATOM 0 HD3 ARG A 107 4.333 -25.651 -8.538 1.00 0.00 H new ATOM 0 HE ARG A 107 1.811 -27.347 -8.344 1.00 0.00 H new ATOM 0 HH11 ARG A 107 4.099 -27.546 -6.262 1.00 0.00 H new ATOM 0 HH12 ARG A 107 5.002 -28.924 -6.901 1.00 0.00 H new ATOM 0 HH21 ARG A 107 3.478 -28.781 -10.044 1.00 0.00 H new ATOM 0 HH22 ARG A 107 4.653 -29.617 -9.022 1.00 0.00 H new ATOM 875 N GLU A 108 -1.039 -23.044 -9.185 1.00 0.00 N ATOM 876 CA GLU A 108 -1.619 -22.833 -10.538 1.00 0.00 C ATOM 877 C GLU A 108 -1.645 -21.328 -10.839 1.00 0.00 C ATOM 878 O GLU A 108 -2.262 -20.553 -10.134 1.00 0.00 O ATOM 879 CB GLU A 108 -3.038 -23.438 -10.563 1.00 0.00 C ATOM 880 CG GLU A 108 -4.018 -22.520 -11.299 1.00 0.00 C ATOM 881 CD GLU A 108 -5.279 -23.304 -11.667 1.00 0.00 C ATOM 882 OE1 GLU A 108 -5.621 -24.217 -10.933 1.00 0.00 O ATOM 883 OE2 GLU A 108 -5.882 -22.979 -12.677 1.00 0.00 O ATOM 0 H GLU A 108 -1.719 -23.167 -8.435 1.00 0.00 H new ATOM 0 HA GLU A 108 -1.018 -23.323 -11.304 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -3.012 -24.413 -11.051 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -3.385 -23.601 -9.543 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -4.278 -21.669 -10.669 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -3.551 -22.120 -12.199 1.00 0.00 H new ATOM 884 N LYS A 109 -0.978 -20.911 -11.881 1.00 0.00 N ATOM 885 CA LYS A 109 -0.963 -19.462 -12.225 1.00 0.00 C ATOM 886 C LYS A 109 -1.542 -19.263 -13.628 1.00 0.00 C ATOM 887 O LYS A 109 -1.367 -20.084 -14.505 1.00 0.00 O ATOM 888 CB LYS A 109 0.477 -18.945 -12.191 1.00 0.00 C ATOM 889 CG LYS A 109 1.386 -19.916 -12.948 1.00 0.00 C ATOM 890 CD LYS A 109 2.281 -20.659 -11.953 1.00 0.00 C ATOM 891 CE LYS A 109 3.462 -19.768 -11.561 1.00 0.00 C ATOM 892 NZ LYS A 109 4.602 -20.020 -12.487 1.00 0.00 N ATOM 0 H LYS A 109 -0.443 -21.512 -12.508 1.00 0.00 H new ATOM 0 HA LYS A 109 -1.565 -18.912 -11.502 1.00 0.00 H new ATOM 0 HB2 LYS A 109 0.530 -17.954 -12.642 1.00 0.00 H new ATOM 0 HB3 LYS A 109 0.814 -18.844 -11.159 1.00 0.00 H new ATOM 0 HG2 LYS A 109 0.785 -20.627 -13.514 1.00 0.00 H new ATOM 0 HG3 LYS A 109 1.998 -19.372 -13.668 1.00 0.00 H new ATOM 0 HD2 LYS A 109 1.708 -20.932 -11.067 1.00 0.00 H new ATOM 0 HD3 LYS A 109 2.643 -21.586 -12.396 1.00 0.00 H new ATOM 0 HE2 LYS A 109 3.170 -18.719 -11.604 1.00 0.00 H new ATOM 0 HE3 LYS A 109 3.762 -19.974 -10.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 5.405 -19.415 -12.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 4.885 -21.019 -12.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 4.312 -19.802 -13.462 1.00 0.00 H new ATOM 893 N ARG A 110 -2.230 -18.175 -13.845 1.00 0.00 N ATOM 894 CA ARG A 110 -2.820 -17.921 -15.189 1.00 0.00 C ATOM 895 C ARG A 110 -1.954 -16.911 -15.941 1.00 0.00 C ATOM 896 O ARG A 110 -1.313 -16.066 -15.350 1.00 0.00 O ATOM 897 CB ARG A 110 -4.234 -17.358 -15.026 1.00 0.00 C ATOM 898 CG ARG A 110 -4.184 -16.102 -14.156 1.00 0.00 C ATOM 899 CD ARG A 110 -4.778 -14.921 -14.926 1.00 0.00 C ATOM 900 NE ARG A 110 -6.264 -14.965 -14.831 1.00 0.00 N ATOM 901 CZ ARG A 110 -6.953 -13.857 -14.858 1.00 0.00 C ATOM 902 NH1 ARG A 110 -6.458 -12.794 -15.430 1.00 0.00 N ATOM 903 NH2 ARG A 110 -8.137 -13.813 -14.313 1.00 0.00 N ATOM 0 H ARG A 110 -2.409 -17.451 -13.149 1.00 0.00 H new ATOM 0 HA ARG A 110 -2.862 -18.854 -15.751 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -4.658 -17.121 -16.002 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -4.884 -18.104 -14.569 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -4.741 -16.264 -13.233 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -3.154 -15.884 -13.873 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -4.404 -13.982 -14.518 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -4.468 -14.961 -15.970 1.00 0.00 H new ATOM 0 HE ARG A 110 -6.743 -15.861 -14.745 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -5.532 -12.829 -15.856 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -6.997 -11.928 -15.451 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -8.524 -14.644 -13.866 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -8.676 -12.947 -14.334 1.00 0.00 H new ATOM 904 N LYS A 111 -1.933 -16.991 -17.244 1.00 0.00 N ATOM 905 CA LYS A 111 -1.109 -16.033 -18.036 1.00 0.00 C ATOM 906 C LYS A 111 -1.287 -14.620 -17.467 1.00 0.00 C ATOM 907 O LYS A 111 -2.321 -14.009 -17.652 1.00 0.00 O ATOM 908 CB LYS A 111 -1.574 -16.055 -19.493 1.00 0.00 C ATOM 909 CG LYS A 111 -3.089 -15.856 -19.546 1.00 0.00 C ATOM 910 CD LYS A 111 -3.708 -16.902 -20.475 1.00 0.00 C ATOM 911 CE LYS A 111 -3.933 -16.287 -21.856 1.00 0.00 C ATOM 912 NZ LYS A 111 -4.291 -17.358 -22.827 1.00 0.00 N ATOM 0 H LYS A 111 -2.450 -17.677 -17.794 1.00 0.00 H new ATOM 0 HA LYS A 111 -0.059 -16.319 -17.981 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -1.073 -15.269 -20.058 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -1.304 -17.003 -19.958 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -3.514 -15.945 -18.546 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -3.323 -14.853 -19.903 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -3.051 -17.768 -20.554 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -4.654 -17.255 -20.064 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -4.729 -15.544 -21.809 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -3.032 -15.769 -22.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -4.444 -16.938 -23.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -3.518 -18.052 -22.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -5.162 -17.833 -22.514 1.00 0.00 H new ATOM 913 N PRO A 112 -0.274 -14.141 -16.787 1.00 0.00 N ATOM 914 CA PRO A 112 -0.294 -12.803 -16.177 1.00 0.00 C ATOM 915 C PRO A 112 -0.023 -11.737 -17.241 1.00 0.00 C ATOM 916 O PRO A 112 -0.267 -11.943 -18.414 1.00 0.00 O ATOM 917 CB PRO A 112 0.839 -12.864 -15.146 1.00 0.00 C ATOM 918 CG PRO A 112 1.790 -13.992 -15.606 1.00 0.00 C ATOM 919 CD PRO A 112 0.982 -14.883 -16.567 1.00 0.00 C ATOM 0 HA PRO A 112 -1.252 -12.542 -15.726 1.00 0.00 H new ATOM 0 HB2 PRO A 112 1.365 -11.911 -15.091 1.00 0.00 H new ATOM 0 HB3 PRO A 112 0.447 -13.069 -14.150 1.00 0.00 H new ATOM 0 HG2 PRO A 112 2.667 -13.580 -16.105 1.00 0.00 H new ATOM 0 HG3 PRO A 112 2.149 -14.568 -14.753 1.00 0.00 H new ATOM 0 HD2 PRO A 112 1.517 -15.045 -17.503 1.00 0.00 H new ATOM 0 HD3 PRO A 112 0.793 -15.865 -16.134 1.00 0.00 H new ATOM 920 N LYS A 113 0.477 -10.603 -16.845 1.00 0.00 N ATOM 921 CA LYS A 113 0.760 -9.527 -17.836 1.00 0.00 C ATOM 922 C LYS A 113 -0.550 -9.076 -18.484 1.00 0.00 C ATOM 923 O LYS A 113 -1.365 -9.882 -18.886 1.00 0.00 O ATOM 924 CB LYS A 113 1.705 -10.064 -18.913 1.00 0.00 C ATOM 925 CG LYS A 113 2.935 -10.685 -18.249 1.00 0.00 C ATOM 926 CD LYS A 113 4.183 -10.331 -19.059 1.00 0.00 C ATOM 927 CE LYS A 113 5.274 -11.373 -18.801 1.00 0.00 C ATOM 928 NZ LYS A 113 6.468 -10.704 -18.211 1.00 0.00 N ATOM 0 H LYS A 113 0.703 -10.373 -15.877 1.00 0.00 H new ATOM 0 HA LYS A 113 1.227 -8.680 -17.333 1.00 0.00 H new ATOM 0 HB2 LYS A 113 1.193 -10.808 -19.523 1.00 0.00 H new ATOM 0 HB3 LYS A 113 2.007 -9.258 -19.581 1.00 0.00 H new ATOM 0 HG2 LYS A 113 3.035 -10.318 -17.228 1.00 0.00 H new ATOM 0 HG3 LYS A 113 2.822 -11.767 -18.189 1.00 0.00 H new ATOM 0 HD2 LYS A 113 3.942 -10.297 -20.121 1.00 0.00 H new ATOM 0 HD3 LYS A 113 4.540 -9.339 -18.781 1.00 0.00 H new ATOM 0 HE2 LYS A 113 4.904 -12.143 -18.125 1.00 0.00 H new ATOM 0 HE3 LYS A 113 5.545 -11.870 -19.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 7.210 -11.411 -18.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 6.825 -9.984 -18.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 6.203 -10.249 -17.314 1.00 0.00 H new ATOM 929 N SER A 114 -0.761 -7.793 -18.589 1.00 0.00 N ATOM 930 CA SER A 114 -2.020 -7.294 -19.211 1.00 0.00 C ATOM 931 C SER A 114 -1.736 -5.991 -19.963 1.00 0.00 C ATOM 932 O SER A 114 -1.162 -5.066 -19.425 1.00 0.00 O ATOM 933 CB SER A 114 -3.061 -7.037 -18.121 1.00 0.00 C ATOM 934 OG SER A 114 -4.196 -6.402 -18.697 1.00 0.00 O ATOM 0 H SER A 114 -0.117 -7.069 -18.271 1.00 0.00 H new ATOM 0 HA SER A 114 -2.401 -8.040 -19.908 1.00 0.00 H new ATOM 0 HB2 SER A 114 -3.354 -7.977 -17.653 1.00 0.00 H new ATOM 0 HB3 SER A 114 -2.637 -6.409 -17.337 1.00 0.00 H new ATOM 0 HG SER A 114 -4.866 -6.237 -18.002 1.00 0.00 H new ATOM 935 N GLN A 115 -2.133 -5.913 -21.204 1.00 0.00 N ATOM 936 CA GLN A 115 -1.883 -4.669 -21.985 1.00 0.00 C ATOM 937 C GLN A 115 -2.985 -4.494 -23.033 1.00 0.00 C ATOM 938 O GLN A 115 -2.803 -3.832 -24.034 1.00 0.00 O ATOM 939 CB GLN A 115 -0.527 -4.768 -22.684 1.00 0.00 C ATOM 940 CG GLN A 115 0.003 -3.362 -22.972 1.00 0.00 C ATOM 941 CD GLN A 115 1.517 -3.417 -23.176 1.00 0.00 C ATOM 942 OE1 GLN A 115 2.249 -2.639 -22.597 1.00 0.00 O ATOM 943 NE2 GLN A 115 2.023 -4.312 -23.980 1.00 0.00 N ATOM 0 H GLN A 115 -2.618 -6.655 -21.709 1.00 0.00 H new ATOM 0 HA GLN A 115 -1.882 -3.812 -21.311 1.00 0.00 H new ATOM 0 HB2 GLN A 115 0.179 -5.313 -22.056 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -0.625 -5.329 -23.614 1.00 0.00 H new ATOM 0 HG2 GLN A 115 -0.479 -2.955 -23.861 1.00 0.00 H new ATOM 0 HG3 GLN A 115 -0.239 -2.695 -22.145 1.00 0.00 H new ATOM 0 HE21 GLN A 115 1.409 -4.966 -24.467 1.00 0.00 H new ATOM 0 HE22 GLN A 115 3.032 -4.358 -24.122 1.00 0.00 H new ATOM 944 N GLU A 116 -4.128 -5.082 -22.808 1.00 0.00 N ATOM 945 CA GLU A 116 -5.240 -4.949 -23.791 1.00 0.00 C ATOM 946 C GLU A 116 -6.524 -5.523 -23.188 1.00 0.00 C ATOM 947 O GLU A 116 -6.652 -6.736 -23.164 1.00 0.00 O ATOM 948 CB GLU A 116 -4.889 -5.717 -25.066 1.00 0.00 C ATOM 949 CG GLU A 116 -5.278 -4.883 -26.289 1.00 0.00 C ATOM 950 CD GLU A 116 -4.784 -5.576 -27.559 1.00 0.00 C ATOM 951 OE1 GLU A 116 -4.519 -6.766 -27.495 1.00 0.00 O ATOM 952 OE2 GLU A 116 -4.679 -4.908 -28.574 1.00 0.00 O ATOM 953 OXT GLU A 116 -7.356 -4.740 -22.761 1.00 0.00 O ATOM 0 H GLU A 116 -4.340 -5.648 -21.987 1.00 0.00 H new ATOM 0 HA GLU A 116 -5.389 -3.896 -24.031 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -3.822 -5.938 -25.088 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -5.413 -6.673 -25.083 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -6.360 -4.758 -26.328 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -4.845 -3.886 -26.215 1.00 0.00 H new TER 954 GLU A 116