USER MOD reduce.3.24.130724 H: found=0, std=0, add=944, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 943 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 NoAdj-H: A 9 HIS HD1 : A 9 HIS ND1 : A 338 ZNZN :(H bumps) USER MOD NoAdj-H: A 73 HIS HD1 : A 73 HIS ND1 : A 336 ZNZN :(H bumps) USER MOD NoAdj-H: A 77 HIS HE2 : A 77 HIS NE2 : A 337 ZNZN :(H bumps) USER MOD NoAdj-H: A 86 HIS HD1 : A 86 HIS ND1 : A 337 ZNZN :(H bumps) USER MOD Set 1.1: A 109 CYS SG : rot 180:sc= -0.0387 USER MOD Set 1.2: A 111 SER OG : rot 41:sc= 0.0952 USER MOD Set 2.1: A 94 ASN : amide:sc= -0.0421 X(o=-0.042,f=0.41) USER MOD Set 2.2: A 96 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 53 SER OG : rot -81:sc= 1.21 USER MOD Set 3.2: A 68 ASN : amide:sc= 1.62 K(o=2.8,f=-9.7!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= -0.388 X(o=-0.39,f=-0.33) USER MOD Single : A 18 ASN : amide:sc= -2.16! C(o=-2.2!,f=-3.7!) USER MOD Single : A 20 LYS NZ :NH3+ -140:sc= -0.165 (180deg=-0.636) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 ASN :FLIP amide:sc= -0.205 F(o=-1.2,f=-0.21) USER MOD Single : A 32 GLN : amide:sc= -1.35 X(o=-1.4,f=-1.2) USER MOD Single : A 35 LYS NZ :NH3+ -179:sc= 1.24 (180deg=1.24) USER MOD Single : A 36 THR OG1 : rot -67:sc= 1.23 USER MOD Single : A 38 ASN : amide:sc= -0.0747 X(o=-0.075,f=-0.45!) USER MOD Single : A 39 LYS NZ :NH3+ 171:sc= 2.77 (180deg=2.32) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 167:sc= 0.822 (180deg=0.685) USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.142 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 176:sc= 1.24 (180deg=1.21) USER MOD Single : A 62 HIS : no HE2:sc= -0.207 K(o=-0.21,f=-2.6!) USER MOD Single : A 63 GLN : amide:sc= -1.03 K(o=-1,f=-14!) USER MOD Single : A 69 SER OG : rot -75:sc= 0.765 USER MOD Single : A 70 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 72 GLN :FLIP amide:sc= -0.833 F(o=-2.7!,f=-0.83) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 28:sc= 0.566 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 87 CYS SG : rot -160:sc= -1.28 USER MOD Single : A 91 SER OG : rot 180:sc= 1 USER MOD Single : A 100 TYR OH : rot 60:sc= -0.225 USER MOD Single : A 104 ASN : amide:sc= -6.35! C(o=-6.4!,f=-6!) USER MOD Single : A 107 GLN :FLIP amide:sc= -2.94 F(o=-3.6!,f=-2.9) USER MOD Single : A 108 TYR OH : rot -124:sc= -0.158 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 112 ASN : amide:sc= 0.486 K(o=0.49,f=-4.8!) USER MOD Single : A 113 GLN :FLIP amide:sc= -2.44! C(o=-4.5!,f=-2.4!) USER MOD Single : A 116 GLN :FLIP amide:sc= -0.827 F(o=-3.6!,f=-0.83) USER MOD Single : A 120 TYR OH : rot 15:sc= -1.19 USER MOD Single : A 123 LYS NZ :NH3+ 167:sc= -0.0753 (180deg=-0.37) USER MOD Single : A 124 GLN : amide:sc= 0.355 K(o=0.35,f=-0.94) USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 5 10.911 -20.155 -7.290 1.00 0.00 N ATOM 2 CA PRO A 5 10.376 -19.396 -6.209 1.00 0.00 C ATOM 3 C PRO A 5 8.999 -18.890 -6.538 1.00 0.00 C ATOM 4 O PRO A 5 8.695 -18.501 -7.684 1.00 0.00 O ATOM 5 CB PRO A 5 11.322 -18.236 -6.046 1.00 0.00 C ATOM 6 CG PRO A 5 11.969 -18.123 -7.380 1.00 0.00 C ATOM 7 CD PRO A 5 12.077 -19.510 -7.881 1.00 0.00 C ATOM 0 HA PRO A 5 10.284 -19.995 -5.303 1.00 0.00 H new ATOM 0 HB2 PRO A 5 10.793 -17.322 -5.778 1.00 0.00 H new ATOM 0 HB3 PRO A 5 12.054 -18.423 -5.260 1.00 0.00 H new ATOM 0 HG2 PRO A 5 11.375 -17.507 -8.054 1.00 0.00 H new ATOM 0 HG3 PRO A 5 12.951 -17.655 -7.303 1.00 0.00 H new ATOM 0 HD2 PRO A 5 12.054 -19.550 -8.970 1.00 0.00 H new ATOM 0 HD3 PRO A 5 13.006 -19.984 -7.564 1.00 0.00 H new ATOM 15 N VAL A 6 8.210 -18.903 -5.563 1.00 0.00 N ATOM 16 CA VAL A 6 6.861 -18.497 -5.635 1.00 0.00 C ATOM 17 C VAL A 6 6.402 -18.263 -4.216 1.00 0.00 C ATOM 18 O VAL A 6 6.973 -18.831 -3.271 1.00 0.00 O ATOM 19 CB VAL A 6 5.954 -19.570 -6.332 1.00 0.00 C ATOM 20 CG1 VAL A 6 5.713 -20.792 -5.453 1.00 0.00 C ATOM 21 CG2 VAL A 6 4.650 -18.961 -6.789 1.00 0.00 C ATOM 0 H VAL A 6 8.489 -19.213 -4.632 1.00 0.00 H new ATOM 0 HA VAL A 6 6.779 -17.594 -6.239 1.00 0.00 H new ATOM 0 HB VAL A 6 6.496 -19.920 -7.211 1.00 0.00 H new ATOM 0 HG11 VAL A 6 5.080 -21.503 -5.984 1.00 0.00 H new ATOM 0 HG12 VAL A 6 6.667 -21.263 -5.215 1.00 0.00 H new ATOM 0 HG13 VAL A 6 5.220 -20.485 -4.531 1.00 0.00 H new ATOM 0 HG21 VAL A 6 4.040 -19.726 -7.269 1.00 0.00 H new ATOM 0 HG22 VAL A 6 4.116 -18.557 -5.929 1.00 0.00 H new ATOM 0 HG23 VAL A 6 4.852 -18.159 -7.500 1.00 0.00 H new ATOM 31 N CYS A 7 5.435 -17.440 -4.054 1.00 0.00 N ATOM 32 CA CYS A 7 4.901 -17.170 -2.789 1.00 0.00 C ATOM 33 C CYS A 7 3.569 -17.862 -2.699 1.00 0.00 C ATOM 34 O CYS A 7 2.751 -17.700 -3.591 1.00 0.00 O ATOM 35 CB CYS A 7 4.741 -15.673 -2.599 1.00 0.00 C ATOM 36 SG CYS A 7 3.821 -15.213 -1.134 1.00 0.00 S ATOM 0 H CYS A 7 4.989 -16.929 -4.816 1.00 0.00 H new ATOM 0 HA CYS A 7 5.566 -17.533 -2.005 1.00 0.00 H new ATOM 0 HB2 CYS A 7 5.730 -15.216 -2.552 1.00 0.00 H new ATOM 0 HB3 CYS A 7 4.240 -15.259 -3.474 1.00 0.00 H new ATOM 41 N ARG A 8 3.335 -18.653 -1.670 1.00 0.00 N ATOM 42 CA ARG A 8 2.049 -19.254 -1.538 1.00 0.00 C ATOM 43 C ARG A 8 1.368 -18.739 -0.287 1.00 0.00 C ATOM 44 O ARG A 8 0.523 -19.386 0.320 1.00 0.00 O ATOM 45 CB ARG A 8 2.112 -20.757 -1.600 1.00 0.00 C ATOM 46 CG ARG A 8 1.081 -21.299 -2.537 1.00 0.00 C ATOM 47 CD ARG A 8 1.406 -20.895 -3.969 1.00 0.00 C ATOM 48 NE ARG A 8 0.323 -21.165 -4.914 1.00 0.00 N ATOM 49 CZ ARG A 8 0.517 -21.458 -6.204 1.00 0.00 C ATOM 50 NH1 ARG A 8 1.732 -21.816 -6.632 1.00 0.00 N ATOM 51 NH2 ARG A 8 -0.503 -21.437 -7.051 1.00 0.00 N ATOM 0 H ARG A 8 4.007 -18.882 -0.938 1.00 0.00 H new ATOM 0 HA ARG A 8 1.439 -18.962 -2.393 1.00 0.00 H new ATOM 0 HB2 ARG A 8 3.104 -21.070 -1.925 1.00 0.00 H new ATOM 0 HB3 ARG A 8 1.957 -21.172 -0.604 1.00 0.00 H new ATOM 0 HG2 ARG A 8 1.043 -22.385 -2.458 1.00 0.00 H new ATOM 0 HG3 ARG A 8 0.095 -20.924 -2.261 1.00 0.00 H new ATOM 0 HD2 ARG A 8 1.641 -19.831 -3.993 1.00 0.00 H new ATOM 0 HD3 ARG A 8 2.301 -21.426 -4.293 1.00 0.00 H new ATOM 0 HE ARG A 8 -0.636 -21.128 -4.569 1.00 0.00 H new ATOM 0 HH11 ARG A 8 2.510 -21.865 -5.975 1.00 0.00 H new ATOM 0 HH12 ARG A 8 1.881 -22.040 -7.616 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -1.437 -21.197 -6.719 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -0.354 -21.661 -8.035 1.00 0.00 H new ATOM 65 N HIS A 9 1.708 -17.522 0.030 1.00 0.00 N ATOM 66 CA HIS A 9 1.078 -16.760 1.104 1.00 0.00 C ATOM 67 C HIS A 9 0.025 -15.875 0.478 1.00 0.00 C ATOM 68 O HIS A 9 -0.359 -14.867 1.053 1.00 0.00 O ATOM 69 CB HIS A 9 2.089 -15.810 1.798 1.00 0.00 C ATOM 70 CG HIS A 9 3.221 -16.449 2.532 1.00 0.00 C ATOM 71 ND1 HIS A 9 4.514 -16.123 2.243 1.00 0.00 N ATOM 72 CD2 HIS A 9 3.200 -17.306 3.573 1.00 0.00 C ATOM 73 CE1 HIS A 9 5.256 -16.779 3.116 1.00 0.00 C ATOM 74 NE2 HIS A 9 4.498 -17.512 3.942 1.00 0.00 N ATOM 0 H HIS A 9 2.445 -17.009 -0.453 1.00 0.00 H new ATOM 0 HA HIS A 9 0.676 -17.463 1.834 1.00 0.00 H new ATOM 0 HB2 HIS A 9 2.507 -15.147 1.040 1.00 0.00 H new ATOM 0 HB3 HIS A 9 1.539 -15.184 2.501 1.00 0.00 H new ATOM 0 HD2 HIS A 9 2.324 -17.745 4.028 1.00 0.00 H new ATOM 0 HE1 HIS A 9 6.334 -16.731 3.159 1.00 0.00 H new ATOM 0 HE2 HIS A 9 4.827 -18.109 4.701 1.00 0.00 H new ATOM 82 N ILE A 10 -0.466 -16.269 -0.680 1.00 0.00 N ATOM 83 CA ILE A 10 -1.342 -15.415 -1.445 1.00 0.00 C ATOM 84 C ILE A 10 -2.717 -15.378 -0.816 1.00 0.00 C ATOM 85 O ILE A 10 -3.280 -14.343 -0.627 1.00 0.00 O ATOM 86 CB ILE A 10 -1.408 -15.844 -2.930 1.00 0.00 C ATOM 87 CG1 ILE A 10 0.005 -15.886 -3.534 1.00 0.00 C ATOM 88 CG2 ILE A 10 -2.316 -14.921 -3.743 1.00 0.00 C ATOM 89 CD1 ILE A 10 0.747 -14.583 -3.421 1.00 0.00 C ATOM 0 H ILE A 10 -0.272 -17.174 -1.108 1.00 0.00 H new ATOM 0 HA ILE A 10 -0.930 -14.406 -1.429 1.00 0.00 H new ATOM 0 HB ILE A 10 -1.839 -16.844 -2.971 1.00 0.00 H new ATOM 0 HG12 ILE A 10 0.581 -16.667 -3.037 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -0.067 -16.164 -4.586 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -2.337 -15.254 -4.781 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -3.325 -14.949 -3.332 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -1.934 -13.901 -3.697 1.00 0.00 H new ATOM 0 HD11 ILE A 10 1.736 -14.687 -3.868 1.00 0.00 H new ATOM 0 HD12 ILE A 10 0.193 -13.803 -3.943 1.00 0.00 H new ATOM 0 HD13 ILE A 10 0.851 -14.313 -2.370 1.00 0.00 H new ATOM 101 N ARG A 11 -3.202 -16.521 -0.446 1.00 0.00 N ATOM 102 CA ARG A 11 -4.538 -16.635 0.155 1.00 0.00 C ATOM 103 C ARG A 11 -4.635 -15.891 1.490 1.00 0.00 C ATOM 104 O ARG A 11 -5.661 -15.318 1.814 1.00 0.00 O ATOM 105 CB ARG A 11 -4.928 -18.082 0.352 1.00 0.00 C ATOM 106 CG ARG A 11 -5.051 -18.891 -0.924 1.00 0.00 C ATOM 107 CD ARG A 11 -5.353 -20.342 -0.599 1.00 0.00 C ATOM 108 NE ARG A 11 -4.291 -20.949 0.221 1.00 0.00 N ATOM 109 CZ ARG A 11 -4.434 -21.375 1.495 1.00 0.00 C ATOM 110 NH1 ARG A 11 -5.597 -21.224 2.141 1.00 0.00 N ATOM 111 NH2 ARG A 11 -3.407 -21.932 2.117 1.00 0.00 N ATOM 0 H ARG A 11 -2.706 -17.407 -0.541 1.00 0.00 H new ATOM 0 HA ARG A 11 -5.232 -16.170 -0.545 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -4.189 -18.558 0.996 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -5.881 -18.117 0.880 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -5.843 -18.479 -1.549 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -4.126 -18.824 -1.496 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -6.303 -20.406 -0.069 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -5.466 -20.906 -1.525 1.00 0.00 H new ATOM 0 HE ARG A 11 -3.372 -21.057 -0.208 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -6.388 -20.783 1.671 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -5.692 -21.550 3.103 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -2.515 -22.037 1.634 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -3.508 -22.256 3.079 1.00 0.00 H new ATOM 125 N LYS A 12 -3.566 -15.896 2.248 1.00 0.00 N ATOM 126 CA LYS A 12 -3.565 -15.245 3.534 1.00 0.00 C ATOM 127 C LYS A 12 -3.219 -13.766 3.425 1.00 0.00 C ATOM 128 O LYS A 12 -3.560 -12.960 4.295 1.00 0.00 O ATOM 129 CB LYS A 12 -2.604 -15.960 4.460 1.00 0.00 C ATOM 130 CG LYS A 12 -1.225 -16.151 3.898 1.00 0.00 C ATOM 131 CD LYS A 12 -0.430 -17.054 4.774 1.00 0.00 C ATOM 132 CE LYS A 12 -0.107 -16.419 6.103 1.00 0.00 C ATOM 133 NZ LYS A 12 0.731 -17.292 6.937 1.00 0.00 N ATOM 0 H LYS A 12 -2.685 -16.344 1.996 1.00 0.00 H new ATOM 0 HA LYS A 12 -4.573 -15.300 3.946 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -2.529 -15.397 5.390 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -3.019 -16.936 4.711 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -1.289 -16.571 2.894 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -0.725 -15.187 3.809 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -0.985 -17.978 4.940 1.00 0.00 H new ATOM 0 HD3 LYS A 12 0.497 -17.325 4.268 1.00 0.00 H new ATOM 0 HE2 LYS A 12 0.407 -15.472 5.938 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -1.033 -16.191 6.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 0.931 -16.820 7.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 0.230 -18.186 7.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 1.625 -17.489 6.444 1.00 0.00 H new ATOM 147 N GLY A 13 -2.562 -13.422 2.334 1.00 0.00 N ATOM 148 CA GLY A 13 -2.093 -12.081 2.093 1.00 0.00 C ATOM 149 C GLY A 13 -2.989 -11.304 1.182 1.00 0.00 C ATOM 150 O GLY A 13 -2.744 -10.144 0.933 1.00 0.00 O ATOM 0 H GLY A 13 -2.339 -14.077 1.585 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -2.007 -11.556 3.044 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -1.093 -12.124 1.661 1.00 0.00 H new ATOM 154 N LEU A 14 -4.004 -11.939 0.687 1.00 0.00 N ATOM 155 CA LEU A 14 -4.919 -11.329 -0.222 1.00 0.00 C ATOM 156 C LEU A 14 -6.325 -11.656 0.253 1.00 0.00 C ATOM 157 O LEU A 14 -6.677 -12.833 0.391 1.00 0.00 O ATOM 158 CB LEU A 14 -4.611 -11.910 -1.607 1.00 0.00 C ATOM 159 CG LEU A 14 -5.178 -11.258 -2.840 1.00 0.00 C ATOM 160 CD1 LEU A 14 -4.409 -11.736 -4.035 1.00 0.00 C ATOM 161 CD2 LEU A 14 -6.625 -11.592 -3.036 1.00 0.00 C ATOM 0 H LEU A 14 -4.223 -12.911 0.907 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.831 -10.244 -0.271 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.527 -11.926 -1.718 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.946 -12.947 -1.605 1.00 0.00 H new ATOM 0 HG LEU A 14 -5.093 -10.178 -2.719 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.810 -11.271 -4.936 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.359 -11.466 -3.924 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.498 -12.819 -4.116 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.993 -11.101 -3.937 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -6.739 -12.671 -3.139 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -7.198 -11.247 -2.175 1.00 0.00 H new ATOM 173 N GLU A 15 -7.115 -10.645 0.537 1.00 0.00 N ATOM 174 CA GLU A 15 -8.457 -10.876 1.029 1.00 0.00 C ATOM 175 C GLU A 15 -9.410 -10.083 0.142 1.00 0.00 C ATOM 176 O GLU A 15 -9.713 -8.936 0.435 1.00 0.00 O ATOM 177 CB GLU A 15 -8.580 -10.448 2.480 1.00 0.00 C ATOM 178 CG GLU A 15 -9.634 -11.158 3.273 1.00 0.00 C ATOM 179 CD GLU A 15 -10.989 -11.181 2.612 1.00 0.00 C ATOM 180 OE1 GLU A 15 -11.711 -10.187 2.692 1.00 0.00 O ATOM 181 OE2 GLU A 15 -11.327 -12.196 1.962 1.00 0.00 O ATOM 0 H GLU A 15 -6.856 -9.663 0.438 1.00 0.00 H new ATOM 0 HA GLU A 15 -8.701 -11.938 0.991 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -7.618 -10.600 2.969 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -8.787 -9.378 2.509 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -9.311 -12.184 3.451 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -9.725 -10.679 4.248 1.00 0.00 H new ATOM 188 N GLN A 16 -9.872 -10.701 -0.924 1.00 0.00 N ATOM 189 CA GLN A 16 -10.677 -10.031 -1.944 1.00 0.00 C ATOM 190 C GLN A 16 -11.887 -9.300 -1.374 1.00 0.00 C ATOM 191 O GLN A 16 -12.207 -8.214 -1.814 1.00 0.00 O ATOM 192 CB GLN A 16 -11.170 -11.017 -2.994 1.00 0.00 C ATOM 193 CG GLN A 16 -10.080 -11.853 -3.636 1.00 0.00 C ATOM 194 CD GLN A 16 -10.591 -12.692 -4.789 1.00 0.00 C ATOM 195 OE1 GLN A 16 -11.740 -13.121 -4.811 1.00 0.00 O ATOM 196 NE2 GLN A 16 -9.758 -12.911 -5.760 1.00 0.00 N ATOM 0 H GLN A 16 -9.703 -11.688 -1.116 1.00 0.00 H new ATOM 0 HA GLN A 16 -10.010 -9.295 -2.393 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -11.898 -11.685 -2.533 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -11.693 -10.465 -3.775 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -9.287 -11.196 -3.993 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -9.638 -12.507 -2.884 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -8.809 -12.540 -5.711 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -10.052 -13.454 -6.572 1.00 0.00 H new ATOM 205 N GLY A 17 -12.501 -9.886 -0.356 1.00 0.00 N ATOM 206 CA GLY A 17 -13.729 -9.361 0.201 1.00 0.00 C ATOM 207 C GLY A 17 -13.582 -7.979 0.794 1.00 0.00 C ATOM 208 O GLY A 17 -14.314 -7.051 0.419 1.00 0.00 O ATOM 0 H GLY A 17 -12.161 -10.732 0.101 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -14.489 -9.333 -0.579 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -14.089 -10.042 0.972 1.00 0.00 H new ATOM 212 N ASN A 18 -12.611 -7.801 1.671 1.00 0.00 N ATOM 213 CA ASN A 18 -12.449 -6.504 2.322 1.00 0.00 C ATOM 214 C ASN A 18 -11.772 -5.503 1.379 1.00 0.00 C ATOM 215 O ASN A 18 -11.863 -4.284 1.581 1.00 0.00 O ATOM 216 CB ASN A 18 -11.714 -6.579 3.694 1.00 0.00 C ATOM 217 CG ASN A 18 -10.217 -6.645 3.647 1.00 0.00 C ATOM 218 OD1 ASN A 18 -9.539 -6.064 4.495 1.00 0.00 O ATOM 219 ND2 ASN A 18 -9.684 -7.373 2.760 1.00 0.00 N ATOM 0 H ASN A 18 -11.936 -8.514 1.947 1.00 0.00 H new ATOM 0 HA ASN A 18 -13.454 -6.149 2.548 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -11.999 -5.707 4.282 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -12.078 -7.456 4.229 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -8.671 -7.489 2.737 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -10.267 -7.844 2.068 1.00 0.00 H new ATOM 226 N LEU A 19 -11.128 -6.031 0.327 1.00 0.00 N ATOM 227 CA LEU A 19 -10.476 -5.217 -0.714 1.00 0.00 C ATOM 228 C LEU A 19 -11.481 -4.341 -1.372 1.00 0.00 C ATOM 229 O LEU A 19 -11.316 -3.134 -1.415 1.00 0.00 O ATOM 230 CB LEU A 19 -9.837 -6.109 -1.793 1.00 0.00 C ATOM 231 CG LEU A 19 -8.375 -6.543 -1.633 1.00 0.00 C ATOM 232 CD1 LEU A 19 -7.451 -5.569 -2.293 1.00 0.00 C ATOM 233 CD2 LEU A 19 -7.983 -6.656 -0.204 1.00 0.00 C ATOM 0 H LEU A 19 -11.044 -7.036 0.173 1.00 0.00 H new ATOM 0 HA LEU A 19 -9.702 -4.619 -0.233 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -10.441 -7.013 -1.872 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -9.922 -5.585 -2.745 1.00 0.00 H new ATOM 0 HG LEU A 19 -8.293 -7.521 -2.107 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -6.421 -5.901 -2.165 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.683 -5.510 -3.356 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -7.575 -4.586 -1.840 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -6.940 -6.966 -0.136 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -8.107 -5.690 0.285 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -8.614 -7.396 0.289 1.00 0.00 H new ATOM 245 N LYS A 20 -12.571 -4.950 -1.794 1.00 0.00 N ATOM 246 CA LYS A 20 -13.632 -4.277 -2.547 1.00 0.00 C ATOM 247 C LYS A 20 -14.143 -3.070 -1.729 1.00 0.00 C ATOM 248 O LYS A 20 -14.266 -1.955 -2.242 1.00 0.00 O ATOM 249 CB LYS A 20 -14.810 -5.238 -2.781 1.00 0.00 C ATOM 250 CG LYS A 20 -14.465 -6.704 -3.117 1.00 0.00 C ATOM 251 CD LYS A 20 -13.803 -6.923 -4.448 1.00 0.00 C ATOM 252 CE LYS A 20 -14.765 -6.721 -5.586 1.00 0.00 C ATOM 253 NZ LYS A 20 -15.946 -7.597 -5.503 1.00 0.00 N ATOM 0 H LYS A 20 -12.755 -5.939 -1.626 1.00 0.00 H new ATOM 0 HA LYS A 20 -13.231 -3.951 -3.507 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -15.433 -5.234 -1.887 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -15.416 -4.838 -3.594 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -13.811 -7.093 -2.337 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -15.383 -7.291 -3.086 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -12.963 -6.236 -4.555 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -13.396 -7.933 -4.490 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -15.091 -5.681 -5.599 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -14.249 -6.905 -6.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -16.188 -7.945 -6.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -15.736 -8.404 -4.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -16.749 -7.061 -5.116 1.00 0.00 H new ATOM 267 N LYS A 21 -14.279 -3.279 -0.430 1.00 0.00 N ATOM 268 CA LYS A 21 -14.857 -2.297 0.461 1.00 0.00 C ATOM 269 C LYS A 21 -13.876 -1.159 0.687 1.00 0.00 C ATOM 270 O LYS A 21 -14.268 0.007 0.818 1.00 0.00 O ATOM 271 CB LYS A 21 -15.152 -2.965 1.784 1.00 0.00 C ATOM 272 CG LYS A 21 -15.951 -4.235 1.658 1.00 0.00 C ATOM 273 CD LYS A 21 -17.339 -3.950 1.166 1.00 0.00 C ATOM 274 CE LYS A 21 -18.172 -5.206 1.098 1.00 0.00 C ATOM 275 NZ LYS A 21 -19.583 -4.910 0.776 1.00 0.00 N ATOM 0 H LYS A 21 -13.989 -4.140 0.034 1.00 0.00 H new ATOM 0 HA LYS A 21 -15.771 -1.897 0.022 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -14.210 -3.187 2.286 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -15.695 -2.266 2.420 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -15.451 -4.917 0.971 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -16.000 -4.736 2.625 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -17.819 -3.229 1.828 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -17.289 -3.492 0.178 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -17.759 -5.876 0.343 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -18.119 -5.730 2.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -20.124 -5.797 0.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -19.984 -4.291 1.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -19.636 -4.433 -0.146 1.00 0.00 H new ATOM 289 N ALA A 22 -12.609 -1.484 0.683 1.00 0.00 N ATOM 290 CA ALA A 22 -11.600 -0.513 0.970 1.00 0.00 C ATOM 291 C ALA A 22 -11.324 0.346 -0.233 1.00 0.00 C ATOM 292 O ALA A 22 -11.141 1.563 -0.106 1.00 0.00 O ATOM 293 CB ALA A 22 -10.333 -1.186 1.442 1.00 0.00 C ATOM 0 H ALA A 22 -12.256 -2.420 0.482 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.968 0.130 1.770 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -9.577 -0.430 1.655 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -10.540 -1.758 2.347 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -9.966 -1.857 0.665 1.00 0.00 H new ATOM 299 N LEU A 23 -11.374 -0.259 -1.412 1.00 0.00 N ATOM 300 CA LEU A 23 -11.033 0.454 -2.643 1.00 0.00 C ATOM 301 C LEU A 23 -12.172 1.365 -3.052 1.00 0.00 C ATOM 302 O LEU A 23 -12.067 2.120 -4.016 1.00 0.00 O ATOM 303 CB LEU A 23 -10.677 -0.481 -3.782 1.00 0.00 C ATOM 304 CG LEU A 23 -9.807 -1.697 -3.435 1.00 0.00 C ATOM 305 CD1 LEU A 23 -9.407 -2.452 -4.664 1.00 0.00 C ATOM 306 CD2 LEU A 23 -8.596 -1.373 -2.545 1.00 0.00 C ATOM 0 H LEU A 23 -11.645 -1.233 -1.546 1.00 0.00 H new ATOM 0 HA LEU A 23 -10.145 1.049 -2.430 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -11.604 -0.843 -4.227 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -10.161 0.098 -4.548 1.00 0.00 H new ATOM 0 HG LEU A 23 -10.440 -2.344 -2.828 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -8.792 -3.307 -4.382 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -10.300 -2.803 -5.182 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -8.838 -1.797 -5.324 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -8.035 -2.286 -2.347 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -7.953 -0.655 -3.053 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -8.941 -0.948 -1.602 1.00 0.00 H new ATOM 318 N VAL A 24 -13.269 1.249 -2.363 1.00 0.00 N ATOM 319 CA VAL A 24 -14.337 2.208 -2.498 1.00 0.00 C ATOM 320 C VAL A 24 -13.874 3.585 -1.965 1.00 0.00 C ATOM 321 O VAL A 24 -14.035 4.618 -2.615 1.00 0.00 O ATOM 322 CB VAL A 24 -15.584 1.766 -1.687 1.00 0.00 C ATOM 323 CG1 VAL A 24 -16.620 2.863 -1.662 1.00 0.00 C ATOM 324 CG2 VAL A 24 -16.182 0.499 -2.258 1.00 0.00 C ATOM 0 H VAL A 24 -13.452 0.498 -1.698 1.00 0.00 H new ATOM 0 HA VAL A 24 -14.597 2.274 -3.554 1.00 0.00 H new ATOM 0 HB VAL A 24 -15.262 1.564 -0.665 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -17.486 2.533 -1.088 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -16.196 3.754 -1.198 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -16.928 3.096 -2.681 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -17.054 0.212 -1.671 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -16.481 0.672 -3.292 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -15.442 -0.300 -2.223 1.00 0.00 H new ATOM 334 N ASN A 25 -13.229 3.565 -0.812 1.00 0.00 N ATOM 335 CA ASN A 25 -12.912 4.797 -0.079 1.00 0.00 C ATOM 336 C ASN A 25 -11.449 5.188 -0.208 1.00 0.00 C ATOM 337 O ASN A 25 -10.965 6.085 0.496 1.00 0.00 O ATOM 338 CB ASN A 25 -13.282 4.643 1.409 1.00 0.00 C ATOM 339 CG ASN A 25 -14.764 4.412 1.644 1.00 0.00 C ATOM 340 OD1 ASN A 25 -15.539 5.363 1.792 1.00 0.00 O ATOM 341 ND2 ASN A 25 -15.175 3.157 1.698 1.00 0.00 N ATOM 0 H ASN A 25 -12.910 2.711 -0.355 1.00 0.00 H new ATOM 0 HA ASN A 25 -13.505 5.595 -0.526 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -12.721 3.809 1.830 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -12.972 5.539 1.947 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -16.159 2.950 1.866 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -14.508 2.396 1.571 1.00 0.00 H new ATOM 348 N VAL A 26 -10.754 4.555 -1.116 1.00 0.00 N ATOM 349 CA VAL A 26 -9.328 4.833 -1.312 1.00 0.00 C ATOM 350 C VAL A 26 -9.062 6.134 -2.008 1.00 0.00 C ATOM 351 O VAL A 26 -9.935 6.728 -2.661 1.00 0.00 O ATOM 352 CB VAL A 26 -8.599 3.762 -2.139 1.00 0.00 C ATOM 353 CG1 VAL A 26 -8.348 2.518 -1.359 1.00 0.00 C ATOM 354 CG2 VAL A 26 -9.372 3.463 -3.388 1.00 0.00 C ATOM 0 H VAL A 26 -11.137 3.843 -1.737 1.00 0.00 H new ATOM 0 HA VAL A 26 -8.950 4.855 -0.290 1.00 0.00 H new ATOM 0 HB VAL A 26 -7.623 4.163 -2.411 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -7.831 1.793 -1.987 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -7.731 2.751 -0.491 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -9.298 2.099 -1.027 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -8.848 2.703 -3.967 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -10.364 3.097 -3.123 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -9.467 4.371 -3.983 1.00 0.00 H new ATOM 364 N GLU A 27 -7.858 6.569 -1.850 1.00 0.00 N ATOM 365 CA GLU A 27 -7.319 7.627 -2.591 1.00 0.00 C ATOM 366 C GLU A 27 -6.245 7.008 -3.406 1.00 0.00 C ATOM 367 O GLU A 27 -5.182 6.732 -2.907 1.00 0.00 O ATOM 368 CB GLU A 27 -6.670 8.618 -1.714 1.00 0.00 C ATOM 369 CG GLU A 27 -6.338 9.870 -2.416 1.00 0.00 C ATOM 370 CD GLU A 27 -7.520 10.763 -2.563 1.00 0.00 C ATOM 371 OE1 GLU A 27 -8.309 10.589 -3.509 1.00 0.00 O ATOM 372 OE2 GLU A 27 -7.699 11.639 -1.702 1.00 0.00 O ATOM 0 H GLU A 27 -7.208 6.173 -1.171 1.00 0.00 H new ATOM 0 HA GLU A 27 -8.098 8.128 -3.166 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -7.329 8.841 -0.875 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -5.759 8.187 -1.298 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -5.554 10.394 -1.869 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -5.937 9.636 -3.402 1.00 0.00 H new ATOM 379 N TRP A 28 -6.542 6.716 -4.578 1.00 0.00 N ATOM 380 CA TRP A 28 -5.621 6.050 -5.457 1.00 0.00 C ATOM 381 C TRP A 28 -4.347 6.765 -5.716 1.00 0.00 C ATOM 382 O TRP A 28 -4.315 7.976 -5.999 1.00 0.00 O ATOM 383 CB TRP A 28 -6.267 5.592 -6.706 1.00 0.00 C ATOM 384 CG TRP A 28 -7.002 4.336 -6.508 1.00 0.00 C ATOM 385 CD1 TRP A 28 -8.297 4.105 -6.750 1.00 0.00 C ATOM 386 CD2 TRP A 28 -6.463 3.125 -5.991 1.00 0.00 C ATOM 387 NE1 TRP A 28 -8.607 2.812 -6.453 1.00 0.00 N ATOM 388 CE2 TRP A 28 -7.495 2.194 -5.981 1.00 0.00 C ATOM 389 CE3 TRP A 28 -5.199 2.738 -5.546 1.00 0.00 C ATOM 390 CZ2 TRP A 28 -7.315 0.910 -5.554 1.00 0.00 C ATOM 391 CZ3 TRP A 28 -5.027 1.457 -5.112 1.00 0.00 C ATOM 392 CH2 TRP A 28 -6.080 0.559 -5.121 1.00 0.00 C ATOM 0 H TRP A 28 -7.447 6.923 -5.000 1.00 0.00 H new ATOM 0 HA TRP A 28 -5.317 5.169 -4.892 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -6.951 6.361 -7.065 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -5.510 5.453 -7.478 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -8.996 4.837 -7.126 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -9.524 2.380 -6.567 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -4.376 3.437 -5.545 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -8.128 0.199 -5.561 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -4.058 1.139 -4.757 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -5.913 -0.450 -4.773 1.00 0.00 H new ATOM 403 N ASN A 29 -3.296 5.987 -5.547 1.00 0.00 N ATOM 404 CA ASN A 29 -1.920 6.370 -5.715 1.00 0.00 C ATOM 405 C ASN A 29 -1.540 7.386 -4.671 1.00 0.00 C ATOM 406 O ASN A 29 -0.605 8.149 -4.803 1.00 0.00 O ATOM 407 CB ASN A 29 -1.674 6.802 -7.133 1.00 0.00 C ATOM 408 CG ASN A 29 -0.234 6.822 -7.500 1.00 0.00 C ATOM 409 OD1 ASN A 29 0.235 5.710 -7.936 1.00 0.00 O flip ATOM 410 ND2 ASN A 29 0.448 7.846 -7.408 1.00 0.00 N flip ATOM 0 H ASN A 29 -3.394 5.010 -5.271 1.00 0.00 H new ATOM 0 HA ASN A 29 -1.259 5.519 -5.552 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -2.204 6.130 -7.807 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -2.093 7.797 -7.280 1.00 0.00 H new ATOM 0 HD21 ASN A 29 0.030 8.707 -7.055 1.00 0.00 H new ATOM 0 HD22 ASN A 29 1.430 7.832 -7.685 1.00 0.00 H new ATOM 417 N ILE A 30 -2.253 7.332 -3.587 1.00 0.00 N ATOM 418 CA ILE A 30 -1.982 8.183 -2.472 1.00 0.00 C ATOM 419 C ILE A 30 -2.082 7.359 -1.235 1.00 0.00 C ATOM 420 O ILE A 30 -3.172 6.894 -0.893 1.00 0.00 O ATOM 421 CB ILE A 30 -2.952 9.411 -2.341 1.00 0.00 C ATOM 422 CG1 ILE A 30 -2.933 10.279 -3.622 1.00 0.00 C ATOM 423 CG2 ILE A 30 -2.636 10.236 -1.084 1.00 0.00 C ATOM 424 CD1 ILE A 30 -3.571 11.658 -3.499 1.00 0.00 C ATOM 0 H ILE A 30 -3.039 6.696 -3.452 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.987 8.601 -2.624 1.00 0.00 H new ATOM 0 HB ILE A 30 -3.966 9.028 -2.228 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -1.897 10.406 -3.937 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -3.443 9.733 -4.416 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -3.324 11.079 -1.020 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -2.748 9.609 -0.200 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -1.612 10.606 -1.139 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -3.501 12.178 -4.455 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -4.619 11.550 -3.220 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -3.049 12.233 -2.734 1.00 0.00 H new ATOM 436 N CYS A 31 -0.936 7.084 -0.625 1.00 0.00 N ATOM 437 CA CYS A 31 -0.895 6.426 0.657 1.00 0.00 C ATOM 438 C CYS A 31 -1.901 7.052 1.609 1.00 0.00 C ATOM 439 O CYS A 31 -1.753 8.189 2.043 1.00 0.00 O ATOM 440 CB CYS A 31 0.537 6.428 1.237 1.00 0.00 C ATOM 441 SG CYS A 31 0.705 6.053 2.992 1.00 0.00 S ATOM 0 H CYS A 31 -0.019 7.313 -1.009 1.00 0.00 H new ATOM 0 HA CYS A 31 -1.179 5.382 0.522 1.00 0.00 H new ATOM 0 HB2 CYS A 31 1.131 5.706 0.677 1.00 0.00 H new ATOM 0 HB3 CYS A 31 0.975 7.410 1.056 1.00 0.00 H new ATOM 446 N GLN A 32 -2.945 6.302 1.867 1.00 0.00 N ATOM 447 CA GLN A 32 -4.030 6.685 2.752 1.00 0.00 C ATOM 448 C GLN A 32 -3.513 6.978 4.095 1.00 0.00 C ATOM 449 O GLN A 32 -4.000 7.847 4.781 1.00 0.00 O ATOM 450 CB GLN A 32 -5.037 5.577 2.849 1.00 0.00 C ATOM 451 CG GLN A 32 -5.589 5.238 1.537 1.00 0.00 C ATOM 452 CD GLN A 32 -6.772 4.359 1.665 1.00 0.00 C ATOM 453 OE1 GLN A 32 -6.657 3.151 1.651 1.00 0.00 O ATOM 454 NE2 GLN A 32 -7.913 4.952 1.828 1.00 0.00 N ATOM 0 H GLN A 32 -3.071 5.377 1.456 1.00 0.00 H new ATOM 0 HA GLN A 32 -4.505 7.576 2.342 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -4.569 4.695 3.287 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -5.844 5.875 3.519 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -5.866 6.151 1.009 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -4.827 4.741 0.936 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -7.962 5.971 1.833 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -8.762 4.400 1.951 1.00 0.00 H new ATOM 463 N ASP A 33 -2.506 6.284 4.444 1.00 0.00 N ATOM 464 CA ASP A 33 -1.887 6.476 5.743 1.00 0.00 C ATOM 465 C ASP A 33 -1.104 7.801 5.812 1.00 0.00 C ATOM 466 O ASP A 33 -0.703 8.209 6.852 1.00 0.00 O ATOM 467 CB ASP A 33 -1.044 5.291 6.194 1.00 0.00 C ATOM 468 CG ASP A 33 -1.058 5.174 7.716 1.00 0.00 C ATOM 469 OD1 ASP A 33 -2.055 4.620 8.257 1.00 0.00 O ATOM 470 OD2 ASP A 33 -0.128 5.626 8.383 1.00 0.00 O ATOM 0 H ASP A 33 -2.071 5.567 3.864 1.00 0.00 H new ATOM 0 HA ASP A 33 -2.707 6.541 6.458 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -1.429 4.373 5.749 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -0.019 5.411 5.842 1.00 0.00 H new ATOM 475 N CYS A 34 -0.846 8.441 4.652 1.00 0.00 N ATOM 476 CA CYS A 34 -0.269 9.742 4.611 1.00 0.00 C ATOM 477 C CYS A 34 -1.354 10.805 4.811 1.00 0.00 C ATOM 478 O CYS A 34 -1.135 11.831 5.428 1.00 0.00 O ATOM 479 CB CYS A 34 0.399 9.962 3.260 1.00 0.00 C ATOM 480 SG CYS A 34 2.135 9.458 3.057 1.00 0.00 S ATOM 0 H CYS A 34 -1.043 8.044 3.733 1.00 0.00 H new ATOM 0 HA CYS A 34 0.470 9.825 5.408 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -0.189 9.434 2.510 1.00 0.00 H new ATOM 0 HB3 CYS A 34 0.333 11.025 3.027 1.00 0.00 H new ATOM 485 N LYS A 35 -2.523 10.528 4.285 1.00 0.00 N ATOM 486 CA LYS A 35 -3.633 11.484 4.332 1.00 0.00 C ATOM 487 C LYS A 35 -4.478 11.333 5.584 1.00 0.00 C ATOM 488 O LYS A 35 -4.905 12.305 6.175 1.00 0.00 O ATOM 489 CB LYS A 35 -4.502 11.387 3.090 1.00 0.00 C ATOM 490 CG LYS A 35 -5.044 10.019 2.809 1.00 0.00 C ATOM 491 CD LYS A 35 -6.008 10.016 1.651 1.00 0.00 C ATOM 492 CE LYS A 35 -7.245 10.884 1.921 1.00 0.00 C ATOM 493 NZ LYS A 35 -8.241 10.827 0.818 1.00 0.00 N ATOM 0 H LYS A 35 -2.743 9.649 3.816 1.00 0.00 H new ATOM 0 HA LYS A 35 -3.181 12.476 4.362 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -5.337 12.080 3.193 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -3.920 11.716 2.229 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -4.219 9.340 2.594 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -5.546 9.639 3.699 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -5.500 10.379 0.757 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -6.323 8.993 1.446 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -7.717 10.558 2.848 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -6.933 11.918 2.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -9.047 11.444 1.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -7.798 11.148 -0.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -8.576 9.849 0.703 1.00 0.00 H new ATOM 507 N THR A 36 -4.707 10.124 5.996 1.00 0.00 N ATOM 508 CA THR A 36 -5.462 9.888 7.198 1.00 0.00 C ATOM 509 C THR A 36 -4.485 9.555 8.285 1.00 0.00 C ATOM 510 O THR A 36 -4.821 8.880 9.264 1.00 0.00 O ATOM 511 CB THR A 36 -6.487 8.733 7.040 1.00 0.00 C ATOM 512 OG1 THR A 36 -5.832 7.503 6.658 1.00 0.00 O ATOM 513 CG2 THR A 36 -7.528 9.093 6.010 1.00 0.00 C ATOM 0 H THR A 36 -4.384 9.282 5.520 1.00 0.00 H new ATOM 0 HA THR A 36 -6.038 10.783 7.434 1.00 0.00 H new ATOM 0 HB THR A 36 -6.970 8.583 8.005 1.00 0.00 H new ATOM 0 HG1 THR A 36 -5.473 7.592 5.751 1.00 0.00 H new ATOM 0 HG21 THR A 36 -8.240 8.273 5.910 1.00 0.00 H new ATOM 0 HG22 THR A 36 -8.054 9.994 6.324 1.00 0.00 H new ATOM 0 HG23 THR A 36 -7.044 9.272 5.050 1.00 0.00 H new ATOM 521 N ASP A 37 -3.277 10.075 8.087 1.00 0.00 N ATOM 522 CA ASP A 37 -2.110 9.823 8.923 1.00 0.00 C ATOM 523 C ASP A 37 -2.416 9.872 10.394 1.00 0.00 C ATOM 524 O ASP A 37 -2.001 8.967 11.137 1.00 0.00 O ATOM 525 CB ASP A 37 -0.972 10.783 8.590 1.00 0.00 C ATOM 526 CG ASP A 37 0.237 10.547 9.457 1.00 0.00 C ATOM 527 OD1 ASP A 37 0.986 9.572 9.226 1.00 0.00 O ATOM 528 OD2 ASP A 37 0.452 11.307 10.385 1.00 0.00 O ATOM 0 H ASP A 37 -3.078 10.706 7.311 1.00 0.00 H new ATOM 0 HA ASP A 37 -1.795 8.805 8.695 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -0.695 10.667 7.542 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -1.315 11.810 8.718 1.00 0.00 H new ATOM 533 N ASN A 38 -3.125 10.935 10.816 1.00 0.00 N ATOM 534 CA ASN A 38 -3.604 11.133 12.207 1.00 0.00 C ATOM 535 C ASN A 38 -2.454 11.545 13.161 1.00 0.00 C ATOM 536 O ASN A 38 -2.654 12.314 14.114 1.00 0.00 O ATOM 537 CB ASN A 38 -4.337 9.845 12.692 1.00 0.00 C ATOM 538 CG ASN A 38 -5.123 9.965 13.995 1.00 0.00 C ATOM 539 OD1 ASN A 38 -4.782 10.718 14.894 1.00 0.00 O ATOM 540 ND2 ASN A 38 -6.190 9.214 14.099 1.00 0.00 N ATOM 0 H ASN A 38 -3.389 11.698 10.192 1.00 0.00 H new ATOM 0 HA ASN A 38 -4.313 11.960 12.220 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -5.022 9.525 11.907 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -3.597 9.054 12.811 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -6.758 9.249 14.945 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -6.453 8.593 13.334 1.00 0.00 H new ATOM 547 N LYS A 39 -1.267 11.079 12.867 1.00 0.00 N ATOM 548 CA LYS A 39 -0.084 11.309 13.686 1.00 0.00 C ATOM 549 C LYS A 39 0.350 12.772 13.538 1.00 0.00 C ATOM 550 O LYS A 39 0.394 13.525 14.519 1.00 0.00 O ATOM 551 CB LYS A 39 1.058 10.392 13.215 1.00 0.00 C ATOM 552 CG LYS A 39 0.626 8.987 12.855 1.00 0.00 C ATOM 553 CD LYS A 39 1.766 8.244 12.206 1.00 0.00 C ATOM 554 CE LYS A 39 1.289 6.992 11.507 1.00 0.00 C ATOM 555 NZ LYS A 39 0.327 7.289 10.408 1.00 0.00 N ATOM 0 H LYS A 39 -1.083 10.516 12.036 1.00 0.00 H new ATOM 0 HA LYS A 39 -0.315 11.092 14.729 1.00 0.00 H new ATOM 0 HB2 LYS A 39 1.536 10.845 12.347 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.811 10.337 14.001 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.300 8.458 13.750 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -0.227 9.023 12.178 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.263 8.895 11.487 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.506 7.980 12.962 1.00 0.00 H new ATOM 0 HE2 LYS A 39 2.147 6.456 11.101 1.00 0.00 H new ATOM 0 HE3 LYS A 39 0.815 6.331 12.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 0.146 6.423 9.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -0.566 7.637 10.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 0.729 8.015 9.782 1.00 0.00 H new ATOM 569 N VAL A 40 0.621 13.167 12.307 1.00 0.00 N ATOM 570 CA VAL A 40 1.056 14.501 12.001 1.00 0.00 C ATOM 571 C VAL A 40 -0.136 15.443 11.833 1.00 0.00 C ATOM 572 O VAL A 40 -1.299 15.032 11.946 1.00 0.00 O ATOM 573 CB VAL A 40 1.943 14.549 10.725 1.00 0.00 C ATOM 574 CG1 VAL A 40 3.150 13.639 10.862 1.00 0.00 C ATOM 575 CG2 VAL A 40 1.153 14.233 9.452 1.00 0.00 C ATOM 0 H VAL A 40 0.542 12.560 11.491 1.00 0.00 H new ATOM 0 HA VAL A 40 1.659 14.833 12.846 1.00 0.00 H new ATOM 0 HB VAL A 40 2.300 15.574 10.627 1.00 0.00 H new ATOM 0 HG11 VAL A 40 3.752 13.693 9.955 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.750 13.956 11.715 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.816 12.613 11.015 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.818 14.280 8.590 1.00 0.00 H new ATOM 0 HG22 VAL A 40 0.726 13.233 9.527 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.351 14.961 9.331 1.00 0.00 H new ATOM 585 N LYS A 41 0.150 16.695 11.592 1.00 0.00 N ATOM 586 CA LYS A 41 -0.881 17.695 11.422 1.00 0.00 C ATOM 587 C LYS A 41 -0.894 18.240 9.998 1.00 0.00 C ATOM 588 O LYS A 41 -1.952 18.586 9.480 1.00 0.00 O ATOM 589 CB LYS A 41 -0.617 18.848 12.364 1.00 0.00 C ATOM 590 CG LYS A 41 -0.580 18.492 13.840 1.00 0.00 C ATOM 591 CD LYS A 41 -0.257 19.725 14.654 1.00 0.00 C ATOM 592 CE LYS A 41 -0.132 19.436 16.133 1.00 0.00 C ATOM 593 NZ LYS A 41 0.141 20.671 16.902 1.00 0.00 N ATOM 0 H LYS A 41 1.101 17.054 11.507 1.00 0.00 H new ATOM 0 HA LYS A 41 -1.842 17.226 11.633 1.00 0.00 H new ATOM 0 HB2 LYS A 41 0.336 19.304 12.094 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -1.387 19.604 12.210 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -1.541 18.082 14.149 1.00 0.00 H new ATOM 0 HG3 LYS A 41 0.168 17.720 14.019 1.00 0.00 H new ATOM 0 HD2 LYS A 41 0.676 20.159 14.293 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -1.036 20.471 14.499 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -1.052 18.976 16.495 1.00 0.00 H new ATOM 0 HE3 LYS A 41 0.671 18.717 16.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 0.221 20.440 17.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 1.031 21.096 16.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -0.637 21.346 16.762 1.00 0.00 H new ATOM 607 N ASP A 42 0.297 18.268 9.396 1.00 0.00 N ATOM 608 CA ASP A 42 0.605 18.898 8.074 1.00 0.00 C ATOM 609 C ASP A 42 -0.467 18.743 6.985 1.00 0.00 C ATOM 610 O ASP A 42 -1.427 19.503 6.954 1.00 0.00 O ATOM 611 CB ASP A 42 1.973 18.444 7.528 1.00 0.00 C ATOM 612 CG ASP A 42 3.121 18.798 8.428 1.00 0.00 C ATOM 613 OD1 ASP A 42 3.316 18.114 9.440 1.00 0.00 O ATOM 614 OD2 ASP A 42 3.873 19.756 8.134 1.00 0.00 O ATOM 0 H ASP A 42 1.120 17.839 9.820 1.00 0.00 H new ATOM 0 HA ASP A 42 0.626 19.962 8.308 1.00 0.00 H new ATOM 0 HB2 ASP A 42 1.957 17.364 7.380 1.00 0.00 H new ATOM 0 HB3 ASP A 42 2.134 18.898 6.550 1.00 0.00 H new ATOM 619 N LYS A 43 -0.226 17.835 6.024 1.00 0.00 N ATOM 620 CA LYS A 43 -1.135 17.494 4.896 1.00 0.00 C ATOM 621 C LYS A 43 -1.208 18.595 3.847 1.00 0.00 C ATOM 622 O LYS A 43 -1.323 18.339 2.653 1.00 0.00 O ATOM 623 CB LYS A 43 -2.536 17.100 5.367 1.00 0.00 C ATOM 624 CG LYS A 43 -2.576 15.820 6.170 1.00 0.00 C ATOM 625 CD LYS A 43 -3.992 15.456 6.583 1.00 0.00 C ATOM 626 CE LYS A 43 -4.911 15.281 5.376 1.00 0.00 C ATOM 627 NZ LYS A 43 -6.230 14.751 5.763 1.00 0.00 N ATOM 0 H LYS A 43 0.638 17.293 6.003 1.00 0.00 H new ATOM 0 HA LYS A 43 -0.690 16.619 4.421 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -2.946 17.909 5.971 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -3.184 16.992 4.497 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -2.149 15.008 5.581 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -1.955 15.929 7.059 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -3.975 14.533 7.163 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -4.392 16.234 7.234 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -5.038 16.240 4.874 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -4.444 14.606 4.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -6.892 14.852 4.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -6.140 13.746 6.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -6.590 15.281 6.582 1.00 0.00 H new ATOM 641 N ALA A 44 -1.128 19.796 4.301 1.00 0.00 N ATOM 642 CA ALA A 44 -1.196 20.966 3.452 1.00 0.00 C ATOM 643 C ALA A 44 -0.148 21.959 3.853 1.00 0.00 C ATOM 644 O ALA A 44 -0.145 23.098 3.417 1.00 0.00 O ATOM 645 CB ALA A 44 -2.556 21.596 3.530 1.00 0.00 C ATOM 0 H ALA A 44 -1.011 20.013 5.291 1.00 0.00 H new ATOM 0 HA ALA A 44 -1.015 20.655 2.423 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -2.588 22.474 2.885 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -3.309 20.878 3.203 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -2.761 21.894 4.558 1.00 0.00 H new ATOM 651 N GLU A 45 0.746 21.519 4.684 1.00 0.00 N ATOM 652 CA GLU A 45 1.857 22.333 5.106 1.00 0.00 C ATOM 653 C GLU A 45 3.093 21.829 4.400 1.00 0.00 C ATOM 654 O GLU A 45 4.214 22.248 4.678 1.00 0.00 O ATOM 655 CB GLU A 45 2.035 22.236 6.616 1.00 0.00 C ATOM 656 CG GLU A 45 0.854 22.765 7.413 1.00 0.00 C ATOM 657 CD GLU A 45 1.036 22.574 8.891 1.00 0.00 C ATOM 658 OE1 GLU A 45 1.860 23.275 9.504 1.00 0.00 O ATOM 659 OE2 GLU A 45 0.394 21.701 9.468 1.00 0.00 O ATOM 0 H GLU A 45 0.731 20.585 5.093 1.00 0.00 H new ATOM 0 HA GLU A 45 1.679 23.379 4.855 1.00 0.00 H new ATOM 0 HB2 GLU A 45 2.204 21.193 6.885 1.00 0.00 H new ATOM 0 HB3 GLU A 45 2.930 22.788 6.902 1.00 0.00 H new ATOM 0 HG2 GLU A 45 0.719 23.825 7.199 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -0.055 22.257 7.092 1.00 0.00 H new ATOM 666 N GLU A 46 2.861 20.953 3.448 1.00 0.00 N ATOM 667 CA GLU A 46 3.923 20.295 2.727 1.00 0.00 C ATOM 668 C GLU A 46 4.699 21.207 1.786 1.00 0.00 C ATOM 669 O GLU A 46 4.190 21.700 0.792 1.00 0.00 O ATOM 670 CB GLU A 46 3.470 18.961 2.096 1.00 0.00 C ATOM 671 CG GLU A 46 1.982 18.855 1.720 1.00 0.00 C ATOM 672 CD GLU A 46 1.513 19.811 0.659 1.00 0.00 C ATOM 673 OE1 GLU A 46 1.554 19.466 -0.539 1.00 0.00 O ATOM 674 OE2 GLU A 46 1.039 20.900 0.999 1.00 0.00 O ATOM 0 H GLU A 46 1.925 20.677 3.152 1.00 0.00 H new ATOM 0 HA GLU A 46 4.665 20.023 3.478 1.00 0.00 H new ATOM 0 HB2 GLU A 46 4.063 18.789 1.198 1.00 0.00 H new ATOM 0 HB3 GLU A 46 3.705 18.156 2.792 1.00 0.00 H new ATOM 0 HG2 GLU A 46 1.782 17.838 1.382 1.00 0.00 H new ATOM 0 HG3 GLU A 46 1.386 19.016 2.618 1.00 0.00 H new ATOM 681 N GLU A 47 5.943 21.441 2.161 1.00 0.00 N ATOM 682 CA GLU A 47 6.845 22.312 1.430 1.00 0.00 C ATOM 683 C GLU A 47 7.494 21.580 0.267 1.00 0.00 C ATOM 684 O GLU A 47 7.913 22.191 -0.711 1.00 0.00 O ATOM 685 CB GLU A 47 7.893 22.846 2.390 1.00 0.00 C ATOM 686 CG GLU A 47 8.753 21.768 2.982 1.00 0.00 C ATOM 687 CD GLU A 47 9.573 22.243 4.142 1.00 0.00 C ATOM 688 OE1 GLU A 47 9.048 22.271 5.279 1.00 0.00 O ATOM 689 OE2 GLU A 47 10.741 22.569 3.959 1.00 0.00 O ATOM 0 H GLU A 47 6.361 21.026 2.993 1.00 0.00 H new ATOM 0 HA GLU A 47 6.280 23.143 1.008 1.00 0.00 H new ATOM 0 HB2 GLU A 47 8.527 23.561 1.866 1.00 0.00 H new ATOM 0 HB3 GLU A 47 7.397 23.390 3.194 1.00 0.00 H new ATOM 0 HG2 GLU A 47 8.119 20.943 3.306 1.00 0.00 H new ATOM 0 HG3 GLU A 47 9.417 21.376 2.211 1.00 0.00 H new ATOM 696 N THR A 48 7.573 20.282 0.385 1.00 0.00 N ATOM 697 CA THR A 48 8.142 19.421 -0.586 1.00 0.00 C ATOM 698 C THR A 48 7.605 18.027 -0.317 1.00 0.00 C ATOM 699 O THR A 48 8.027 17.343 0.627 1.00 0.00 O ATOM 700 CB THR A 48 9.695 19.401 -0.529 1.00 0.00 C ATOM 701 OG1 THR A 48 10.215 20.732 -0.693 1.00 0.00 O ATOM 702 CG2 THR A 48 10.247 18.524 -1.631 1.00 0.00 C ATOM 0 H THR A 48 7.223 19.784 1.203 1.00 0.00 H new ATOM 0 HA THR A 48 7.872 19.779 -1.580 1.00 0.00 H new ATOM 0 HB THR A 48 9.996 19.005 0.441 1.00 0.00 H new ATOM 0 HG1 THR A 48 11.194 20.708 -0.654 1.00 0.00 H new ATOM 0 HG21 THR A 48 11.336 18.518 -1.580 1.00 0.00 H new ATOM 0 HG22 THR A 48 9.873 17.508 -1.509 1.00 0.00 H new ATOM 0 HG23 THR A 48 9.931 18.913 -2.599 1.00 0.00 H new ATOM 710 N GLU A 49 6.585 17.696 -1.033 1.00 0.00 N ATOM 711 CA GLU A 49 5.971 16.382 -0.985 1.00 0.00 C ATOM 712 C GLU A 49 6.985 15.312 -1.366 1.00 0.00 C ATOM 713 O GLU A 49 7.920 15.561 -2.155 1.00 0.00 O ATOM 714 CB GLU A 49 4.779 16.264 -1.952 1.00 0.00 C ATOM 715 CG GLU A 49 3.786 17.412 -1.918 1.00 0.00 C ATOM 716 CD GLU A 49 4.251 18.607 -2.717 1.00 0.00 C ATOM 717 OE1 GLU A 49 3.983 18.661 -3.931 1.00 0.00 O ATOM 718 OE2 GLU A 49 4.905 19.508 -2.155 1.00 0.00 O ATOM 0 H GLU A 49 6.133 18.335 -1.688 1.00 0.00 H new ATOM 0 HA GLU A 49 5.618 16.241 0.037 1.00 0.00 H new ATOM 0 HB2 GLU A 49 5.166 16.173 -2.967 1.00 0.00 H new ATOM 0 HB3 GLU A 49 4.245 15.340 -1.730 1.00 0.00 H new ATOM 0 HG2 GLU A 49 2.827 17.070 -2.308 1.00 0.00 H new ATOM 0 HG3 GLU A 49 3.620 17.713 -0.884 1.00 0.00 H new ATOM 725 N GLU A 50 6.832 14.157 -0.805 1.00 0.00 N ATOM 726 CA GLU A 50 7.672 13.052 -1.143 1.00 0.00 C ATOM 727 C GLU A 50 7.136 12.347 -2.358 1.00 0.00 C ATOM 728 O GLU A 50 5.935 12.435 -2.662 1.00 0.00 O ATOM 729 CB GLU A 50 7.831 12.093 0.036 1.00 0.00 C ATOM 730 CG GLU A 50 6.531 11.641 0.710 1.00 0.00 C ATOM 731 CD GLU A 50 6.798 10.738 1.900 1.00 0.00 C ATOM 732 OE1 GLU A 50 7.879 10.878 2.523 1.00 0.00 O ATOM 733 OE2 GLU A 50 5.958 9.866 2.218 1.00 0.00 O ATOM 0 H GLU A 50 6.123 13.952 -0.101 1.00 0.00 H new ATOM 0 HA GLU A 50 8.665 13.434 -1.379 1.00 0.00 H new ATOM 0 HB2 GLU A 50 8.365 11.208 -0.310 1.00 0.00 H new ATOM 0 HB3 GLU A 50 8.460 12.572 0.787 1.00 0.00 H new ATOM 0 HG2 GLU A 50 5.968 12.515 1.036 1.00 0.00 H new ATOM 0 HG3 GLU A 50 5.910 11.114 -0.014 1.00 0.00 H new ATOM 740 N LYS A 51 8.010 11.709 -3.091 1.00 0.00 N ATOM 741 CA LYS A 51 7.610 10.917 -4.217 1.00 0.00 C ATOM 742 C LYS A 51 8.072 9.498 -3.952 1.00 0.00 C ATOM 743 O LYS A 51 9.167 9.092 -4.367 1.00 0.00 O ATOM 744 CB LYS A 51 8.220 11.409 -5.542 1.00 0.00 C ATOM 745 CG LYS A 51 8.154 12.915 -5.797 1.00 0.00 C ATOM 746 CD LYS A 51 9.256 13.661 -5.057 1.00 0.00 C ATOM 747 CE LYS A 51 9.206 15.149 -5.310 1.00 0.00 C ATOM 748 NZ LYS A 51 10.273 15.864 -4.577 1.00 0.00 N ATOM 0 H LYS A 51 9.016 11.725 -2.923 1.00 0.00 H new ATOM 0 HA LYS A 51 6.528 10.988 -4.327 1.00 0.00 H new ATOM 0 HB2 LYS A 51 9.265 11.102 -5.573 1.00 0.00 H new ATOM 0 HB3 LYS A 51 7.714 10.900 -6.362 1.00 0.00 H new ATOM 0 HG2 LYS A 51 8.240 13.107 -6.867 1.00 0.00 H new ATOM 0 HG3 LYS A 51 7.182 13.295 -5.482 1.00 0.00 H new ATOM 0 HD2 LYS A 51 9.165 13.473 -3.987 1.00 0.00 H new ATOM 0 HD3 LYS A 51 10.226 13.274 -5.367 1.00 0.00 H new ATOM 0 HE2 LYS A 51 9.307 15.340 -6.378 1.00 0.00 H new ATOM 0 HE3 LYS A 51 8.233 15.537 -5.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 10.207 16.883 -4.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 10.161 15.702 -3.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 11.202 15.511 -4.884 1.00 0.00 H new ATOM 762 N PRO A 52 7.299 8.765 -3.184 1.00 0.00 N ATOM 763 CA PRO A 52 7.594 7.413 -2.821 1.00 0.00 C ATOM 764 C PRO A 52 6.888 6.426 -3.729 1.00 0.00 C ATOM 765 O PRO A 52 6.198 6.814 -4.683 1.00 0.00 O ATOM 766 CB PRO A 52 6.973 7.369 -1.440 1.00 0.00 C ATOM 767 CG PRO A 52 5.712 8.123 -1.601 1.00 0.00 C ATOM 768 CD PRO A 52 6.053 9.222 -2.542 1.00 0.00 C ATOM 0 HA PRO A 52 8.651 7.154 -2.878 1.00 0.00 H new ATOM 0 HB2 PRO A 52 6.789 6.345 -1.116 1.00 0.00 H new ATOM 0 HB3 PRO A 52 7.622 7.828 -0.694 1.00 0.00 H new ATOM 0 HG2 PRO A 52 4.919 7.490 -2.000 1.00 0.00 H new ATOM 0 HG3 PRO A 52 5.358 8.513 -0.647 1.00 0.00 H new ATOM 0 HD2 PRO A 52 5.261 9.381 -3.274 1.00 0.00 H new ATOM 0 HD3 PRO A 52 6.197 10.167 -2.018 1.00 0.00 H new ATOM 776 N SER A 53 7.076 5.181 -3.463 1.00 0.00 N ATOM 777 CA SER A 53 6.353 4.171 -4.124 1.00 0.00 C ATOM 778 C SER A 53 5.059 3.972 -3.346 1.00 0.00 C ATOM 779 O SER A 53 5.027 4.221 -2.132 1.00 0.00 O ATOM 780 CB SER A 53 7.213 2.905 -4.198 1.00 0.00 C ATOM 781 OG SER A 53 7.850 2.628 -2.943 1.00 0.00 O ATOM 0 H SER A 53 7.744 4.839 -2.772 1.00 0.00 H new ATOM 0 HA SER A 53 6.104 4.435 -5.152 1.00 0.00 H new ATOM 0 HB2 SER A 53 6.591 2.058 -4.486 1.00 0.00 H new ATOM 0 HB3 SER A 53 7.970 3.023 -4.973 1.00 0.00 H new ATOM 0 HG SER A 53 8.654 3.182 -2.855 1.00 0.00 H new ATOM 787 N VAL A 54 4.011 3.604 -4.007 1.00 0.00 N ATOM 788 CA VAL A 54 2.743 3.454 -3.332 1.00 0.00 C ATOM 789 C VAL A 54 2.309 2.022 -3.396 1.00 0.00 C ATOM 790 O VAL A 54 1.968 1.490 -4.455 1.00 0.00 O ATOM 791 CB VAL A 54 1.650 4.430 -3.856 1.00 0.00 C ATOM 792 CG1 VAL A 54 0.398 4.282 -3.043 1.00 0.00 C ATOM 793 CG2 VAL A 54 2.141 5.867 -3.767 1.00 0.00 C ATOM 0 H VAL A 54 3.996 3.401 -5.006 1.00 0.00 H new ATOM 0 HA VAL A 54 2.884 3.732 -2.287 1.00 0.00 H new ATOM 0 HB VAL A 54 1.438 4.187 -4.897 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -0.362 4.969 -3.416 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.032 3.258 -3.122 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.613 4.511 -1.999 1.00 0.00 H new ATOM 0 HG21 VAL A 54 1.367 6.540 -4.137 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.368 6.110 -2.729 1.00 0.00 H new ATOM 0 HG23 VAL A 54 3.041 5.982 -4.372 1.00 0.00 H new ATOM 803 N TRP A 55 2.382 1.404 -2.270 1.00 0.00 N ATOM 804 CA TRP A 55 2.098 0.029 -2.118 1.00 0.00 C ATOM 805 C TRP A 55 0.748 -0.157 -1.460 1.00 0.00 C ATOM 806 O TRP A 55 0.477 0.386 -0.384 1.00 0.00 O ATOM 807 CB TRP A 55 3.198 -0.653 -1.304 1.00 0.00 C ATOM 808 CG TRP A 55 4.559 -0.589 -1.934 1.00 0.00 C ATOM 809 CD1 TRP A 55 5.464 0.401 -1.787 1.00 0.00 C ATOM 810 CD2 TRP A 55 5.170 -1.563 -2.798 1.00 0.00 C ATOM 811 NE1 TRP A 55 6.597 0.117 -2.494 1.00 0.00 N ATOM 812 CE2 TRP A 55 6.446 -1.082 -3.122 1.00 0.00 C ATOM 813 CE3 TRP A 55 4.765 -2.789 -3.325 1.00 0.00 C ATOM 814 CZ2 TRP A 55 7.320 -1.781 -3.946 1.00 0.00 C ATOM 815 CZ3 TRP A 55 5.631 -3.485 -4.141 1.00 0.00 C ATOM 816 CH2 TRP A 55 6.896 -2.982 -4.443 1.00 0.00 C ATOM 0 H TRP A 55 2.652 1.863 -1.400 1.00 0.00 H new ATOM 0 HA TRP A 55 2.065 -0.435 -3.104 1.00 0.00 H new ATOM 0 HB2 TRP A 55 3.244 -0.191 -0.318 1.00 0.00 H new ATOM 0 HB3 TRP A 55 2.928 -1.698 -1.154 1.00 0.00 H new ATOM 0 HD1 TRP A 55 5.314 1.291 -1.194 1.00 0.00 H new ATOM 0 HE1 TRP A 55 7.426 0.709 -2.544 1.00 0.00 H new ATOM 0 HE3 TRP A 55 3.787 -3.187 -3.097 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 8.298 -1.390 -4.185 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 5.325 -4.435 -4.553 1.00 0.00 H new ATOM 0 HH2 TRP A 55 7.554 -3.552 -5.082 1.00 0.00 H new ATOM 827 N LEU A 56 -0.091 -0.879 -2.120 1.00 0.00 N ATOM 828 CA LEU A 56 -1.384 -1.178 -1.609 1.00 0.00 C ATOM 829 C LEU A 56 -1.420 -2.605 -1.076 1.00 0.00 C ATOM 830 O LEU A 56 -1.139 -3.550 -1.810 1.00 0.00 O ATOM 831 CB LEU A 56 -2.461 -1.004 -2.663 1.00 0.00 C ATOM 832 CG LEU A 56 -3.862 -1.314 -2.161 1.00 0.00 C ATOM 833 CD1 LEU A 56 -4.648 -0.057 -1.863 1.00 0.00 C ATOM 834 CD2 LEU A 56 -4.577 -2.239 -3.097 1.00 0.00 C ATOM 0 H LEU A 56 0.103 -1.282 -3.037 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.586 -0.476 -0.800 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -2.435 0.022 -3.031 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -2.236 -1.652 -3.510 1.00 0.00 H new ATOM 0 HG LEU A 56 -3.767 -1.838 -1.210 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -5.643 -0.326 -1.507 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -4.132 0.521 -1.096 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -4.736 0.541 -2.770 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -5.576 -2.444 -2.713 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -4.654 -1.774 -4.080 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -4.022 -3.173 -3.180 1.00 0.00 H new ATOM 846 N CYS A 57 -1.760 -2.738 0.186 1.00 0.00 N ATOM 847 CA CYS A 57 -1.898 -4.007 0.874 1.00 0.00 C ATOM 848 C CYS A 57 -2.981 -4.825 0.184 1.00 0.00 C ATOM 849 O CYS A 57 -4.159 -4.491 0.276 1.00 0.00 O ATOM 850 CB CYS A 57 -2.306 -3.723 2.342 1.00 0.00 C ATOM 851 SG CYS A 57 -2.261 -5.126 3.535 1.00 0.00 S ATOM 0 H CYS A 57 -1.956 -1.937 0.786 1.00 0.00 H new ATOM 0 HA CYS A 57 -0.960 -4.563 0.853 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -1.654 -2.938 2.724 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -3.319 -3.321 2.336 1.00 0.00 H new ATOM 856 N LEU A 58 -2.581 -5.924 -0.456 1.00 0.00 N ATOM 857 CA LEU A 58 -3.473 -6.831 -1.202 1.00 0.00 C ATOM 858 C LEU A 58 -4.358 -7.579 -0.266 1.00 0.00 C ATOM 859 O LEU A 58 -5.275 -8.300 -0.651 1.00 0.00 O ATOM 860 CB LEU A 58 -2.577 -7.772 -1.959 1.00 0.00 C ATOM 861 CG LEU A 58 -1.976 -7.172 -3.203 1.00 0.00 C ATOM 862 CD1 LEU A 58 -0.660 -7.798 -3.510 1.00 0.00 C ATOM 863 CD2 LEU A 58 -2.907 -7.438 -4.349 1.00 0.00 C ATOM 0 H LEU A 58 -1.605 -6.221 -0.474 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.125 -6.280 -1.880 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.773 -8.101 -1.301 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -3.147 -8.659 -2.234 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.830 -6.103 -3.048 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.245 -7.349 -4.412 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.023 -7.636 -2.677 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.794 -8.868 -3.666 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.491 -7.012 -5.262 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -3.031 -8.514 -4.475 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.876 -6.982 -4.144 1.00 0.00 H new ATOM 875 N LYS A 59 -4.069 -7.386 0.949 1.00 0.00 N ATOM 876 CA LYS A 59 -4.760 -7.975 1.995 1.00 0.00 C ATOM 877 C LYS A 59 -5.936 -7.121 2.483 1.00 0.00 C ATOM 878 O LYS A 59 -6.982 -7.652 2.782 1.00 0.00 O ATOM 879 CB LYS A 59 -3.795 -8.269 3.120 1.00 0.00 C ATOM 880 CG LYS A 59 -4.458 -8.768 4.338 1.00 0.00 C ATOM 881 CD LYS A 59 -5.082 -10.128 4.136 1.00 0.00 C ATOM 882 CE LYS A 59 -5.659 -10.608 5.425 1.00 0.00 C ATOM 883 NZ LYS A 59 -6.178 -11.978 5.353 1.00 0.00 N ATOM 0 H LYS A 59 -3.305 -6.782 1.252 1.00 0.00 H new ATOM 0 HA LYS A 59 -5.197 -8.905 1.632 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -3.067 -9.007 2.782 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -3.241 -7.362 3.361 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -3.731 -8.821 5.149 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -5.227 -8.060 4.646 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -5.861 -10.073 3.375 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -4.333 -10.833 3.776 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -4.893 -10.557 6.199 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -6.463 -9.937 5.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -6.503 -12.276 6.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -6.975 -12.013 4.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -5.425 -12.618 5.028 1.00 0.00 H new ATOM 897 N CYS A 60 -5.767 -5.820 2.579 1.00 0.00 N ATOM 898 CA CYS A 60 -6.865 -5.002 3.130 1.00 0.00 C ATOM 899 C CYS A 60 -7.196 -3.757 2.345 1.00 0.00 C ATOM 900 O CYS A 60 -8.185 -3.102 2.652 1.00 0.00 O ATOM 901 CB CYS A 60 -6.562 -4.607 4.546 1.00 0.00 C ATOM 902 SG CYS A 60 -5.216 -3.417 4.682 1.00 0.00 S ATOM 0 H CYS A 60 -4.928 -5.310 2.302 1.00 0.00 H new ATOM 0 HA CYS A 60 -7.742 -5.647 3.070 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -7.459 -4.183 4.997 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -6.308 -5.499 5.118 1.00 0.00 H new ATOM 907 N GLY A 61 -6.392 -3.410 1.396 1.00 0.00 N ATOM 908 CA GLY A 61 -6.639 -2.200 0.670 1.00 0.00 C ATOM 909 C GLY A 61 -5.998 -0.986 1.331 1.00 0.00 C ATOM 910 O GLY A 61 -6.360 0.141 1.034 1.00 0.00 O ATOM 0 H GLY A 61 -5.568 -3.936 1.104 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -6.255 -2.303 -0.345 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -7.714 -2.041 0.589 1.00 0.00 H new ATOM 914 N HIS A 62 -5.087 -1.227 2.270 1.00 0.00 N ATOM 915 CA HIS A 62 -4.270 -0.156 2.858 1.00 0.00 C ATOM 916 C HIS A 62 -3.353 0.368 1.802 1.00 0.00 C ATOM 917 O HIS A 62 -2.723 -0.401 1.105 1.00 0.00 O ATOM 918 CB HIS A 62 -3.437 -0.674 4.087 1.00 0.00 C ATOM 919 CG HIS A 62 -2.088 0.030 4.330 1.00 0.00 C ATOM 920 ND1 HIS A 62 -1.897 1.113 5.150 1.00 0.00 N ATOM 921 CD2 HIS A 62 -0.857 -0.251 3.807 1.00 0.00 C ATOM 922 CE1 HIS A 62 -0.598 1.446 5.100 1.00 0.00 C ATOM 923 NE2 HIS A 62 0.071 0.648 4.299 1.00 0.00 N ATOM 0 H HIS A 62 -4.892 -2.155 2.644 1.00 0.00 H new ATOM 0 HA HIS A 62 -4.927 0.634 3.222 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -4.046 -0.569 4.985 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -3.250 -1.739 3.951 1.00 0.00 H new ATOM 0 HD1 HIS A 62 -2.616 1.582 5.701 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -0.642 -1.052 3.116 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -0.158 2.266 5.649 1.00 0.00 H new ATOM 931 N GLN A 63 -3.290 1.634 1.677 1.00 0.00 N ATOM 932 CA GLN A 63 -2.383 2.187 0.751 1.00 0.00 C ATOM 933 C GLN A 63 -1.310 2.930 1.510 1.00 0.00 C ATOM 934 O GLN A 63 -1.603 3.850 2.283 1.00 0.00 O ATOM 935 CB GLN A 63 -3.104 3.079 -0.175 1.00 0.00 C ATOM 936 CG GLN A 63 -2.532 3.093 -1.553 1.00 0.00 C ATOM 937 CD GLN A 63 -3.258 4.039 -2.456 1.00 0.00 C ATOM 938 OE1 GLN A 63 -2.703 4.565 -3.349 1.00 0.00 O ATOM 939 NE2 GLN A 63 -4.497 4.266 -2.217 1.00 0.00 N ATOM 0 H GLN A 63 -3.851 2.306 2.200 1.00 0.00 H new ATOM 0 HA GLN A 63 -1.913 1.402 0.159 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -4.148 2.769 -0.226 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -3.091 4.093 0.226 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -1.480 3.374 -1.505 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -2.575 2.088 -1.973 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -4.960 3.799 -1.437 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -5.020 4.913 -2.807 1.00 0.00 H new ATOM 948 N GLY A 64 -0.113 2.502 1.330 1.00 0.00 N ATOM 949 CA GLY A 64 0.984 3.022 2.007 1.00 0.00 C ATOM 950 C GLY A 64 2.073 3.396 1.080 1.00 0.00 C ATOM 951 O GLY A 64 2.065 3.051 -0.088 1.00 0.00 O ATOM 0 H GLY A 64 0.122 1.752 0.680 1.00 0.00 H new ATOM 0 HA2 GLY A 64 0.677 3.897 2.579 1.00 0.00 H new ATOM 0 HA3 GLY A 64 1.352 2.287 2.722 1.00 0.00 H new ATOM 955 N CYS A 65 2.975 4.132 1.593 1.00 0.00 N ATOM 956 CA CYS A 65 4.084 4.578 0.860 1.00 0.00 C ATOM 957 C CYS A 65 5.272 3.685 1.207 1.00 0.00 C ATOM 958 O CYS A 65 5.452 3.313 2.392 1.00 0.00 O ATOM 959 CB CYS A 65 4.314 6.045 1.189 1.00 0.00 C ATOM 960 SG CYS A 65 4.426 6.365 2.948 1.00 0.00 S ATOM 0 H CYS A 65 2.961 4.450 2.562 1.00 0.00 H new ATOM 0 HA CYS A 65 3.929 4.510 -0.217 1.00 0.00 H new ATOM 0 HB2 CYS A 65 5.232 6.379 0.706 1.00 0.00 H new ATOM 0 HB3 CYS A 65 3.500 6.637 0.770 1.00 0.00 H new ATOM 965 N GLY A 66 6.021 3.313 0.193 1.00 0.00 N ATOM 966 CA GLY A 66 7.117 2.376 0.318 1.00 0.00 C ATOM 967 C GLY A 66 8.299 2.876 1.104 1.00 0.00 C ATOM 968 O GLY A 66 8.265 3.945 1.706 1.00 0.00 O ATOM 0 H GLY A 66 5.884 3.658 -0.757 1.00 0.00 H new ATOM 0 HA2 GLY A 66 6.745 1.467 0.790 1.00 0.00 H new ATOM 0 HA3 GLY A 66 7.455 2.101 -0.681 1.00 0.00 H new ATOM 972 N ARG A 67 9.374 2.129 1.032 1.00 0.00 N ATOM 973 CA ARG A 67 10.575 2.372 1.830 1.00 0.00 C ATOM 974 C ARG A 67 11.329 3.641 1.397 1.00 0.00 C ATOM 975 O ARG A 67 12.280 4.062 2.039 1.00 0.00 O ATOM 976 CB ARG A 67 11.509 1.178 1.726 1.00 0.00 C ATOM 977 CG ARG A 67 12.221 1.113 0.398 1.00 0.00 C ATOM 978 CD ARG A 67 13.039 -0.146 0.255 1.00 0.00 C ATOM 979 NE ARG A 67 12.191 -1.334 0.149 1.00 0.00 N ATOM 980 CZ ARG A 67 12.456 -2.518 0.686 1.00 0.00 C ATOM 981 NH1 ARG A 67 13.463 -2.668 1.536 1.00 0.00 N ATOM 982 NH2 ARG A 67 11.692 -3.546 0.396 1.00 0.00 N ATOM 0 H ARG A 67 9.451 1.322 0.413 1.00 0.00 H new ATOM 0 HA ARG A 67 10.249 2.518 2.860 1.00 0.00 H new ATOM 0 HB2 ARG A 67 12.246 1.227 2.527 1.00 0.00 H new ATOM 0 HB3 ARG A 67 10.938 0.261 1.874 1.00 0.00 H new ATOM 0 HG2 ARG A 67 11.489 1.163 -0.408 1.00 0.00 H new ATOM 0 HG3 ARG A 67 12.871 1.981 0.293 1.00 0.00 H new ATOM 0 HD2 ARG A 67 13.671 -0.070 -0.630 1.00 0.00 H new ATOM 0 HD3 ARG A 67 13.703 -0.248 1.114 1.00 0.00 H new ATOM 0 HE ARG A 67 11.325 -1.244 -0.382 1.00 0.00 H new ATOM 0 HH11 ARG A 67 14.045 -1.868 1.784 1.00 0.00 H new ATOM 0 HH12 ARG A 67 13.656 -3.584 1.942 1.00 0.00 H new ATOM 0 HH21 ARG A 67 10.901 -3.431 -0.238 1.00 0.00 H new ATOM 0 HH22 ARG A 67 11.889 -4.459 0.805 1.00 0.00 H new ATOM 996 N ASN A 68 10.919 4.220 0.316 1.00 0.00 N ATOM 997 CA ASN A 68 11.579 5.397 -0.208 1.00 0.00 C ATOM 998 C ASN A 68 10.912 6.673 0.220 1.00 0.00 C ATOM 999 O ASN A 68 11.266 7.759 -0.229 1.00 0.00 O ATOM 1000 CB ASN A 68 11.711 5.348 -1.709 1.00 0.00 C ATOM 1001 CG ASN A 68 10.428 5.119 -2.487 1.00 0.00 C ATOM 1002 OD1 ASN A 68 9.464 4.528 -1.998 1.00 0.00 O ATOM 1003 ND2 ASN A 68 10.415 5.547 -3.710 1.00 0.00 N ATOM 0 H ASN A 68 10.122 3.902 -0.235 1.00 0.00 H new ATOM 0 HA ASN A 68 12.581 5.392 0.222 1.00 0.00 H new ATOM 0 HB2 ASN A 68 12.153 6.286 -2.045 1.00 0.00 H new ATOM 0 HB3 ASN A 68 12.414 4.555 -1.966 1.00 0.00 H new ATOM 0 HD21 ASN A 68 9.592 5.398 -4.294 1.00 0.00 H new ATOM 0 HD22 ASN A 68 11.228 6.033 -4.089 1.00 0.00 H new ATOM 1010 N SER A 69 9.971 6.538 1.073 1.00 0.00 N ATOM 1011 CA SER A 69 9.298 7.675 1.643 1.00 0.00 C ATOM 1012 C SER A 69 10.029 8.087 2.936 1.00 0.00 C ATOM 1013 O SER A 69 11.055 7.474 3.300 1.00 0.00 O ATOM 1014 CB SER A 69 7.841 7.331 1.939 1.00 0.00 C ATOM 1015 OG SER A 69 7.739 6.251 2.827 1.00 0.00 O ATOM 0 H SER A 69 9.632 5.636 1.408 1.00 0.00 H new ATOM 0 HA SER A 69 9.312 8.505 0.937 1.00 0.00 H new ATOM 0 HB2 SER A 69 7.339 8.201 2.363 1.00 0.00 H new ATOM 0 HB3 SER A 69 7.327 7.089 1.009 1.00 0.00 H new ATOM 0 HG SER A 69 7.945 5.418 2.354 1.00 0.00 H new ATOM 1021 N GLN A 70 9.536 9.099 3.615 1.00 0.00 N ATOM 1022 CA GLN A 70 10.120 9.526 4.870 1.00 0.00 C ATOM 1023 C GLN A 70 9.683 8.613 6.007 1.00 0.00 C ATOM 1024 O GLN A 70 10.509 8.166 6.822 1.00 0.00 O ATOM 1025 CB GLN A 70 9.706 10.970 5.180 1.00 0.00 C ATOM 1026 CG GLN A 70 10.215 11.504 6.514 1.00 0.00 C ATOM 1027 CD GLN A 70 9.765 12.923 6.796 1.00 0.00 C ATOM 1028 OE1 GLN A 70 8.710 13.357 6.353 1.00 0.00 O ATOM 1029 NE2 GLN A 70 10.555 13.650 7.546 1.00 0.00 N ATOM 0 H GLN A 70 8.727 9.645 3.318 1.00 0.00 H new ATOM 0 HA GLN A 70 11.205 9.473 4.777 1.00 0.00 H new ATOM 0 HB2 GLN A 70 10.069 11.617 4.382 1.00 0.00 H new ATOM 0 HB3 GLN A 70 8.618 11.032 5.170 1.00 0.00 H new ATOM 0 HG2 GLN A 70 9.867 10.853 7.316 1.00 0.00 H new ATOM 0 HG3 GLN A 70 11.304 11.466 6.522 1.00 0.00 H new ATOM 0 HE21 GLN A 70 11.428 13.257 7.899 1.00 0.00 H new ATOM 0 HE22 GLN A 70 10.298 14.610 7.777 1.00 0.00 H new ATOM 1038 N GLU A 71 8.406 8.305 6.038 1.00 0.00 N ATOM 1039 CA GLU A 71 7.836 7.569 7.152 1.00 0.00 C ATOM 1040 C GLU A 71 7.659 6.100 6.864 1.00 0.00 C ATOM 1041 O GLU A 71 7.587 5.305 7.782 1.00 0.00 O ATOM 1042 CB GLU A 71 6.531 8.201 7.569 1.00 0.00 C ATOM 1043 CG GLU A 71 6.704 9.627 8.045 1.00 0.00 C ATOM 1044 CD GLU A 71 7.559 9.717 9.298 1.00 0.00 C ATOM 1045 OE1 GLU A 71 8.795 9.703 9.204 1.00 0.00 O ATOM 1046 OE2 GLU A 71 7.000 9.761 10.410 1.00 0.00 O ATOM 0 H GLU A 71 7.740 8.551 5.306 1.00 0.00 H new ATOM 0 HA GLU A 71 8.548 7.628 7.975 1.00 0.00 H new ATOM 0 HB2 GLU A 71 5.838 8.184 6.728 1.00 0.00 H new ATOM 0 HB3 GLU A 71 6.082 7.608 8.365 1.00 0.00 H new ATOM 0 HG2 GLU A 71 7.161 10.219 7.252 1.00 0.00 H new ATOM 0 HG3 GLU A 71 5.725 10.063 8.244 1.00 0.00 H new ATOM 1053 N GLN A 72 7.559 5.764 5.595 1.00 0.00 N ATOM 1054 CA GLN A 72 7.457 4.371 5.114 1.00 0.00 C ATOM 1055 C GLN A 72 6.290 3.650 5.787 1.00 0.00 C ATOM 1056 O GLN A 72 6.460 2.615 6.437 1.00 0.00 O ATOM 1057 CB GLN A 72 8.794 3.622 5.331 1.00 0.00 C ATOM 1058 CG GLN A 72 9.986 4.444 4.879 1.00 0.00 C ATOM 1059 CD GLN A 72 11.302 3.795 5.038 1.00 0.00 C ATOM 1060 OE1 GLN A 72 11.380 2.554 4.826 1.00 0.00 O flip ATOM 1061 NE2 GLN A 72 12.296 4.473 5.300 1.00 0.00 N flip ATOM 0 H GLN A 72 7.545 6.452 4.842 1.00 0.00 H new ATOM 0 HA GLN A 72 7.257 4.386 4.043 1.00 0.00 H new ATOM 0 HB2 GLN A 72 8.904 3.375 6.387 1.00 0.00 H new ATOM 0 HB3 GLN A 72 8.775 2.680 4.783 1.00 0.00 H new ATOM 0 HG2 GLN A 72 9.851 4.700 3.828 1.00 0.00 H new ATOM 0 HG3 GLN A 72 9.992 5.380 5.437 1.00 0.00 H new ATOM 0 HE21 GLN A 72 12.201 5.475 5.467 1.00 0.00 H new ATOM 0 HE22 GLN A 72 13.215 4.033 5.350 1.00 0.00 H new ATOM 1070 N HIS A 73 5.095 4.215 5.615 1.00 0.00 N ATOM 1071 CA HIS A 73 3.908 3.736 6.220 1.00 0.00 C ATOM 1072 C HIS A 73 3.581 2.292 5.826 1.00 0.00 C ATOM 1073 O HIS A 73 2.989 1.576 6.599 1.00 0.00 O ATOM 1074 CB HIS A 73 2.766 4.658 5.861 1.00 0.00 C ATOM 1075 CG HIS A 73 2.767 6.031 6.519 1.00 0.00 C ATOM 1076 ND1 HIS A 73 2.563 7.159 5.775 1.00 0.00 N ATOM 1077 CD2 HIS A 73 2.850 6.383 7.830 1.00 0.00 C ATOM 1078 CE1 HIS A 73 2.505 8.149 6.590 1.00 0.00 C ATOM 1079 NE2 HIS A 73 2.678 7.749 7.859 1.00 0.00 N ATOM 0 H HIS A 73 4.950 5.039 5.031 1.00 0.00 H new ATOM 0 HA HIS A 73 4.061 3.729 7.299 1.00 0.00 H new ATOM 0 HB2 HIS A 73 2.768 4.798 4.780 1.00 0.00 H new ATOM 0 HB3 HIS A 73 1.831 4.158 6.116 1.00 0.00 H new ATOM 0 HD2 HIS A 73 3.016 5.728 8.672 1.00 0.00 H new ATOM 0 HE1 HIS A 73 2.338 9.174 6.292 1.00 0.00 H new ATOM 0 HE2 HIS A 73 2.681 8.344 8.688 1.00 0.00 H new ATOM 1087 N ALA A 74 4.000 1.871 4.631 1.00 0.00 N ATOM 1088 CA ALA A 74 3.773 0.488 4.186 1.00 0.00 C ATOM 1089 C ALA A 74 4.576 -0.478 5.063 1.00 0.00 C ATOM 1090 O ALA A 74 4.111 -1.581 5.425 1.00 0.00 O ATOM 1091 CB ALA A 74 4.154 0.327 2.722 1.00 0.00 C ATOM 0 H ALA A 74 4.493 2.458 3.958 1.00 0.00 H new ATOM 0 HA ALA A 74 2.713 0.255 4.286 1.00 0.00 H new ATOM 0 HB1 ALA A 74 3.979 -0.703 2.412 1.00 0.00 H new ATOM 0 HB2 ALA A 74 3.548 0.998 2.113 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.208 0.571 2.591 1.00 0.00 H new ATOM 1097 N LEU A 75 5.743 -0.043 5.467 1.00 0.00 N ATOM 1098 CA LEU A 75 6.569 -0.846 6.317 1.00 0.00 C ATOM 1099 C LEU A 75 6.078 -0.817 7.715 1.00 0.00 C ATOM 1100 O LEU A 75 6.066 -1.842 8.374 1.00 0.00 O ATOM 1101 CB LEU A 75 8.012 -0.470 6.251 1.00 0.00 C ATOM 1102 CG LEU A 75 8.857 -1.294 5.310 1.00 0.00 C ATOM 1103 CD1 LEU A 75 8.462 -1.120 3.855 1.00 0.00 C ATOM 1104 CD2 LEU A 75 10.276 -0.961 5.539 1.00 0.00 C ATOM 0 H LEU A 75 6.138 0.864 5.218 1.00 0.00 H new ATOM 0 HA LEU A 75 6.497 -1.867 5.942 1.00 0.00 H new ATOM 0 HB2 LEU A 75 8.083 0.576 5.954 1.00 0.00 H new ATOM 0 HB3 LEU A 75 8.435 -0.546 7.253 1.00 0.00 H new ATOM 0 HG LEU A 75 8.688 -2.349 5.524 1.00 0.00 H new ATOM 0 HD11 LEU A 75 9.105 -1.737 3.227 1.00 0.00 H new ATOM 0 HD12 LEU A 75 7.424 -1.424 3.721 1.00 0.00 H new ATOM 0 HD13 LEU A 75 8.573 -0.074 3.570 1.00 0.00 H new ATOM 0 HD21 LEU A 75 10.901 -1.548 4.866 1.00 0.00 H new ATOM 0 HD22 LEU A 75 10.436 0.100 5.349 1.00 0.00 H new ATOM 0 HD23 LEU A 75 10.541 -1.188 6.572 1.00 0.00 H new ATOM 1116 N LYS A 76 5.681 0.354 8.191 1.00 0.00 N ATOM 1117 CA LYS A 76 5.029 0.450 9.480 1.00 0.00 C ATOM 1118 C LYS A 76 3.786 -0.420 9.518 1.00 0.00 C ATOM 1119 O LYS A 76 3.480 -1.042 10.538 1.00 0.00 O ATOM 1120 CB LYS A 76 4.698 1.900 9.819 1.00 0.00 C ATOM 1121 CG LYS A 76 5.931 2.724 9.961 1.00 0.00 C ATOM 1122 CD LYS A 76 5.654 4.117 10.457 1.00 0.00 C ATOM 1123 CE LYS A 76 6.970 4.770 10.703 1.00 0.00 C ATOM 1124 NZ LYS A 76 6.869 6.059 11.420 1.00 0.00 N ATOM 0 H LYS A 76 5.800 1.243 7.705 1.00 0.00 H new ATOM 0 HA LYS A 76 5.720 0.083 10.239 1.00 0.00 H new ATOM 0 HB2 LYS A 76 4.065 2.322 9.038 1.00 0.00 H new ATOM 0 HB3 LYS A 76 4.126 1.936 10.746 1.00 0.00 H new ATOM 0 HG2 LYS A 76 6.615 2.228 10.650 1.00 0.00 H new ATOM 0 HG3 LYS A 76 6.436 2.781 8.997 1.00 0.00 H new ATOM 0 HD2 LYS A 76 5.078 4.679 9.722 1.00 0.00 H new ATOM 0 HD3 LYS A 76 5.062 4.088 11.372 1.00 0.00 H new ATOM 0 HE2 LYS A 76 7.600 4.092 11.279 1.00 0.00 H new ATOM 0 HE3 LYS A 76 7.469 4.934 9.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 7.821 6.456 11.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 6.294 6.722 10.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 6.421 5.907 12.346 1.00 0.00 H new ATOM 1138 N HIS A 77 3.129 -0.554 8.370 1.00 0.00 N ATOM 1139 CA HIS A 77 1.961 -1.385 8.276 1.00 0.00 C ATOM 1140 C HIS A 77 2.380 -2.815 8.348 1.00 0.00 C ATOM 1141 O HIS A 77 1.642 -3.635 8.845 1.00 0.00 O ATOM 1142 CB HIS A 77 1.136 -1.126 7.028 1.00 0.00 C ATOM 1143 CG HIS A 77 -0.207 -1.849 6.993 1.00 0.00 C ATOM 1144 ND1 HIS A 77 -1.233 -1.572 7.859 1.00 0.00 N ATOM 1145 CD2 HIS A 77 -0.687 -2.827 6.150 1.00 0.00 C ATOM 1146 CE1 HIS A 77 -2.281 -2.344 7.539 1.00 0.00 C ATOM 1147 NE2 HIS A 77 -2.013 -3.128 6.502 1.00 0.00 N ATOM 0 H HIS A 77 3.395 -0.093 7.500 1.00 0.00 H new ATOM 0 HA HIS A 77 1.310 -1.137 9.114 1.00 0.00 H new ATOM 0 HB2 HIS A 77 0.959 -0.054 6.941 1.00 0.00 H new ATOM 0 HB3 HIS A 77 1.717 -1.425 6.156 1.00 0.00 H new ATOM 0 HD1 HIS A 77 -1.204 -0.893 8.619 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -0.132 -3.289 5.347 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -3.227 -2.330 8.061 1.00 0.00 H new ATOM 1155 N TYR A 78 3.554 -3.139 7.851 1.00 0.00 N ATOM 1156 CA TYR A 78 4.030 -4.495 8.032 1.00 0.00 C ATOM 1157 C TYR A 78 4.437 -4.742 9.470 1.00 0.00 C ATOM 1158 O TYR A 78 4.186 -5.817 10.020 1.00 0.00 O ATOM 1159 CB TYR A 78 5.173 -4.828 7.100 1.00 0.00 C ATOM 1160 CG TYR A 78 5.737 -6.231 7.322 1.00 0.00 C ATOM 1161 CD1 TYR A 78 4.910 -7.353 7.256 1.00 0.00 C ATOM 1162 CD2 TYR A 78 7.080 -6.426 7.629 1.00 0.00 C ATOM 1163 CE1 TYR A 78 5.407 -8.620 7.482 1.00 0.00 C ATOM 1164 CE2 TYR A 78 7.583 -7.695 7.859 1.00 0.00 C ATOM 1165 CZ TYR A 78 6.743 -8.788 7.782 1.00 0.00 C ATOM 1166 OH TYR A 78 7.235 -10.058 8.014 1.00 0.00 O ATOM 0 H TYR A 78 4.175 -2.513 7.339 1.00 0.00 H new ATOM 0 HA TYR A 78 3.199 -5.155 7.784 1.00 0.00 H new ATOM 0 HB2 TYR A 78 4.831 -4.739 6.069 1.00 0.00 H new ATOM 0 HB3 TYR A 78 5.970 -4.097 7.236 1.00 0.00 H new ATOM 0 HD1 TYR A 78 3.863 -7.227 7.024 1.00 0.00 H new ATOM 0 HD2 TYR A 78 7.741 -5.574 7.689 1.00 0.00 H new ATOM 0 HE1 TYR A 78 4.753 -9.477 7.424 1.00 0.00 H new ATOM 0 HE2 TYR A 78 8.628 -7.829 8.098 1.00 0.00 H new ATOM 0 HH TYR A 78 8.194 -10.007 8.211 1.00 0.00 H new ATOM 1176 N LEU A 79 5.017 -3.745 10.094 1.00 0.00 N ATOM 1177 CA LEU A 79 5.493 -3.864 11.451 1.00 0.00 C ATOM 1178 C LEU A 79 4.365 -3.682 12.440 1.00 0.00 C ATOM 1179 O LEU A 79 4.574 -3.752 13.662 1.00 0.00 O ATOM 1180 CB LEU A 79 6.610 -2.848 11.711 1.00 0.00 C ATOM 1181 CG LEU A 79 7.799 -2.923 10.748 1.00 0.00 C ATOM 1182 CD1 LEU A 79 8.891 -1.955 11.151 1.00 0.00 C ATOM 1183 CD2 LEU A 79 8.325 -4.341 10.656 1.00 0.00 C ATOM 0 H LEU A 79 5.172 -2.828 9.675 1.00 0.00 H new ATOM 0 HA LEU A 79 5.896 -4.868 11.586 1.00 0.00 H new ATOM 0 HB2 LEU A 79 6.186 -1.845 11.661 1.00 0.00 H new ATOM 0 HB3 LEU A 79 6.977 -2.988 12.728 1.00 0.00 H new ATOM 0 HG LEU A 79 7.452 -2.629 9.757 1.00 0.00 H new ATOM 0 HD11 LEU A 79 9.722 -2.031 10.449 1.00 0.00 H new ATOM 0 HD12 LEU A 79 8.498 -0.938 11.140 1.00 0.00 H new ATOM 0 HD13 LEU A 79 9.241 -2.198 12.154 1.00 0.00 H new ATOM 0 HD21 LEU A 79 9.169 -4.372 9.967 1.00 0.00 H new ATOM 0 HD22 LEU A 79 8.649 -4.674 11.642 1.00 0.00 H new ATOM 0 HD23 LEU A 79 7.536 -4.999 10.293 1.00 0.00 H new ATOM 1195 N THR A 80 3.184 -3.428 11.918 1.00 0.00 N ATOM 1196 CA THR A 80 1.987 -3.354 12.743 1.00 0.00 C ATOM 1197 C THR A 80 1.719 -4.743 13.368 1.00 0.00 C ATOM 1198 O THR A 80 1.549 -5.725 12.636 1.00 0.00 O ATOM 1199 CB THR A 80 0.747 -2.945 11.899 1.00 0.00 C ATOM 1200 OG1 THR A 80 0.920 -1.636 11.332 1.00 0.00 O ATOM 1201 CG2 THR A 80 -0.535 -2.989 12.731 1.00 0.00 C ATOM 0 H THR A 80 3.022 -3.268 10.924 1.00 0.00 H new ATOM 0 HA THR A 80 2.150 -2.603 13.516 1.00 0.00 H new ATOM 0 HB THR A 80 0.654 -3.669 11.089 1.00 0.00 H new ATOM 0 HG1 THR A 80 1.875 -1.461 11.198 1.00 0.00 H new ATOM 0 HG21 THR A 80 -1.382 -2.697 12.110 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.691 -4.001 13.106 1.00 0.00 H new ATOM 0 HG23 THR A 80 -0.447 -2.300 13.571 1.00 0.00 H new ATOM 1209 N PRO A 81 1.716 -4.860 14.708 1.00 0.00 N ATOM 1210 CA PRO A 81 1.436 -6.119 15.364 1.00 0.00 C ATOM 1211 C PRO A 81 -0.049 -6.407 15.380 1.00 0.00 C ATOM 1212 O PRO A 81 -0.879 -5.583 15.809 1.00 0.00 O ATOM 1213 CB PRO A 81 1.963 -5.932 16.757 1.00 0.00 C ATOM 1214 CG PRO A 81 1.810 -4.489 17.009 1.00 0.00 C ATOM 1215 CD PRO A 81 1.981 -3.790 15.682 1.00 0.00 C ATOM 0 HA PRO A 81 1.896 -6.965 14.853 1.00 0.00 H new ATOM 0 HB2 PRO A 81 1.401 -6.524 17.479 1.00 0.00 H new ATOM 0 HB3 PRO A 81 3.005 -6.242 16.834 1.00 0.00 H new ATOM 0 HG2 PRO A 81 0.830 -4.273 17.435 1.00 0.00 H new ATOM 0 HG3 PRO A 81 2.553 -4.142 17.727 1.00 0.00 H new ATOM 0 HD2 PRO A 81 1.283 -2.960 15.570 1.00 0.00 H new ATOM 0 HD3 PRO A 81 2.985 -3.380 15.568 1.00 0.00 H new ATOM 1223 N ARG A 82 -0.369 -7.537 14.909 1.00 0.00 N ATOM 1224 CA ARG A 82 -1.742 -7.967 14.716 1.00 0.00 C ATOM 1225 C ARG A 82 -1.823 -9.485 14.711 1.00 0.00 C ATOM 1226 O ARG A 82 -0.814 -10.167 14.904 1.00 0.00 O ATOM 1227 CB ARG A 82 -2.272 -7.401 13.402 1.00 0.00 C ATOM 1228 CG ARG A 82 -1.302 -7.597 12.283 1.00 0.00 C ATOM 1229 CD ARG A 82 -1.824 -7.149 10.958 1.00 0.00 C ATOM 1230 NE ARG A 82 -0.738 -7.172 10.004 1.00 0.00 N ATOM 1231 CZ ARG A 82 -0.160 -6.089 9.518 1.00 0.00 C ATOM 1232 NH1 ARG A 82 -0.750 -4.899 9.627 1.00 0.00 N ATOM 1233 NH2 ARG A 82 0.965 -6.203 8.853 1.00 0.00 N ATOM 0 H ARG A 82 0.319 -8.236 14.628 1.00 0.00 H new ATOM 0 HA ARG A 82 -2.354 -7.595 15.537 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -3.217 -7.884 13.153 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -2.479 -6.338 13.521 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -0.386 -7.051 12.507 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -1.038 -8.653 12.223 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -2.631 -7.803 10.628 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -2.239 -6.144 11.035 1.00 0.00 H new ATOM 0 HE ARG A 82 -0.398 -8.080 9.687 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -1.656 -4.819 10.089 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -0.296 -4.068 9.248 1.00 0.00 H new ATOM 0 HH21 ARG A 82 1.385 -7.122 8.715 1.00 0.00 H new ATOM 0 HH22 ARG A 82 1.419 -5.372 8.473 1.00 0.00 H new ATOM 1247 N SER A 83 -2.998 -10.008 14.456 1.00 0.00 N ATOM 1248 CA SER A 83 -3.190 -11.422 14.433 1.00 0.00 C ATOM 1249 C SER A 83 -2.974 -11.960 12.995 1.00 0.00 C ATOM 1250 O SER A 83 -2.519 -13.097 12.800 1.00 0.00 O ATOM 1251 CB SER A 83 -4.594 -11.764 14.976 1.00 0.00 C ATOM 1252 OG SER A 83 -4.726 -13.148 15.270 1.00 0.00 O ATOM 0 H SER A 83 -3.837 -9.462 14.261 1.00 0.00 H new ATOM 0 HA SER A 83 -2.458 -11.908 15.078 1.00 0.00 H new ATOM 0 HB2 SER A 83 -4.787 -11.182 15.877 1.00 0.00 H new ATOM 0 HB3 SER A 83 -5.347 -11.475 14.243 1.00 0.00 H new ATOM 0 HG SER A 83 -5.627 -13.325 15.613 1.00 0.00 H new ATOM 1258 N GLU A 84 -3.285 -11.139 11.998 1.00 0.00 N ATOM 1259 CA GLU A 84 -3.097 -11.518 10.595 1.00 0.00 C ATOM 1260 C GLU A 84 -1.720 -11.056 10.086 1.00 0.00 C ATOM 1261 O GLU A 84 -1.078 -10.230 10.722 1.00 0.00 O ATOM 1262 CB GLU A 84 -4.179 -10.901 9.726 1.00 0.00 C ATOM 1263 CG GLU A 84 -5.586 -11.329 10.058 1.00 0.00 C ATOM 1264 CD GLU A 84 -6.532 -10.951 8.960 1.00 0.00 C ATOM 1265 OE1 GLU A 84 -6.964 -9.780 8.892 1.00 0.00 O ATOM 1266 OE2 GLU A 84 -6.846 -11.824 8.117 1.00 0.00 O ATOM 0 H GLU A 84 -3.670 -10.204 12.132 1.00 0.00 H new ATOM 0 HA GLU A 84 -3.158 -12.605 10.534 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -4.116 -9.816 9.810 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -3.975 -11.153 8.685 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -5.615 -12.407 10.214 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -5.901 -10.863 10.992 1.00 0.00 H new ATOM 1273 N PRO A 85 -1.227 -11.586 8.941 1.00 0.00 N ATOM 1274 CA PRO A 85 0.062 -11.166 8.402 1.00 0.00 C ATOM 1275 C PRO A 85 0.027 -9.777 7.723 1.00 0.00 C ATOM 1276 O PRO A 85 0.800 -8.891 8.095 1.00 0.00 O ATOM 1277 CB PRO A 85 0.416 -12.265 7.394 1.00 0.00 C ATOM 1278 CG PRO A 85 -0.894 -12.838 6.970 1.00 0.00 C ATOM 1279 CD PRO A 85 -1.826 -12.689 8.142 1.00 0.00 C ATOM 0 HA PRO A 85 0.799 -11.049 9.196 1.00 0.00 H new ATOM 0 HB2 PRO A 85 0.963 -11.859 6.543 1.00 0.00 H new ATOM 0 HB3 PRO A 85 1.051 -13.026 7.847 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -1.282 -12.314 6.097 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -0.787 -13.886 6.691 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -2.838 -12.444 7.819 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -1.891 -13.611 8.720 1.00 0.00 H new ATOM 1287 N HIS A 86 -0.920 -9.586 6.762 1.00 0.00 N ATOM 1288 CA HIS A 86 -1.025 -8.348 5.929 1.00 0.00 C ATOM 1289 C HIS A 86 0.302 -7.990 5.313 1.00 0.00 C ATOM 1290 O HIS A 86 0.704 -6.834 5.310 1.00 0.00 O ATOM 1291 CB HIS A 86 -1.549 -7.150 6.724 1.00 0.00 C ATOM 1292 CG HIS A 86 -2.988 -7.196 7.043 1.00 0.00 C ATOM 1293 ND1 HIS A 86 -3.826 -6.205 6.626 1.00 0.00 N ATOM 1294 CD2 HIS A 86 -3.689 -8.129 7.734 1.00 0.00 C ATOM 1295 CE1 HIS A 86 -5.034 -6.558 7.076 1.00 0.00 C ATOM 1296 NE2 HIS A 86 -4.986 -7.721 7.749 1.00 0.00 N ATOM 0 H HIS A 86 -1.632 -10.283 6.542 1.00 0.00 H new ATOM 0 HA HIS A 86 -1.743 -8.576 5.141 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -0.988 -7.078 7.656 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -1.346 -6.241 6.158 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -3.292 -9.026 8.186 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -5.934 -5.982 6.919 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -5.771 -8.204 8.186 1.00 0.00 H new ATOM 1304 N CYS A 87 0.924 -8.954 4.732 1.00 0.00 N ATOM 1305 CA CYS A 87 2.280 -8.766 4.257 1.00 0.00 C ATOM 1306 C CYS A 87 2.367 -8.652 2.768 1.00 0.00 C ATOM 1307 O CYS A 87 3.459 -8.766 2.194 1.00 0.00 O ATOM 1308 CB CYS A 87 3.132 -9.924 4.710 1.00 0.00 C ATOM 1309 SG CYS A 87 2.390 -11.543 4.396 1.00 0.00 S ATOM 0 H CYS A 87 0.533 -9.881 4.567 1.00 0.00 H new ATOM 0 HA CYS A 87 2.637 -7.826 4.677 1.00 0.00 H new ATOM 0 HB2 CYS A 87 4.097 -9.873 4.205 1.00 0.00 H new ATOM 0 HB3 CYS A 87 3.326 -9.824 5.778 1.00 0.00 H new ATOM 0 HG CYS A 87 2.949 -12.432 5.162 1.00 0.00 H new ATOM 1315 N LEU A 88 1.249 -8.450 2.145 1.00 0.00 N ATOM 1316 CA LEU A 88 1.190 -8.384 0.708 1.00 0.00 C ATOM 1317 C LEU A 88 0.773 -7.060 0.286 1.00 0.00 C ATOM 1318 O LEU A 88 -0.251 -6.558 0.723 1.00 0.00 O ATOM 1319 CB LEU A 88 0.301 -9.455 0.100 1.00 0.00 C ATOM 1320 CG LEU A 88 0.802 -10.855 0.267 1.00 0.00 C ATOM 1321 CD1 LEU A 88 0.146 -11.808 -0.665 1.00 0.00 C ATOM 1322 CD2 LEU A 88 2.263 -10.940 0.100 1.00 0.00 C ATOM 0 H LEU A 88 0.350 -8.326 2.611 1.00 0.00 H new ATOM 0 HA LEU A 88 2.196 -8.579 0.337 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -0.690 -9.383 0.548 1.00 0.00 H new ATOM 0 HB3 LEU A 88 0.185 -9.250 -0.964 1.00 0.00 H new ATOM 0 HG LEU A 88 0.544 -11.138 1.287 1.00 0.00 H new ATOM 0 HD11 LEU A 88 0.545 -12.809 -0.502 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -0.929 -11.812 -0.484 1.00 0.00 H new ATOM 0 HD13 LEU A 88 0.340 -11.503 -1.693 1.00 0.00 H new ATOM 0 HD21 LEU A 88 2.584 -11.973 0.229 1.00 0.00 H new ATOM 0 HD22 LEU A 88 2.536 -10.597 -0.898 1.00 0.00 H new ATOM 0 HD23 LEU A 88 2.752 -10.312 0.845 1.00 0.00 H new ATOM 1334 N VAL A 89 1.586 -6.475 -0.535 1.00 0.00 N ATOM 1335 CA VAL A 89 1.316 -5.184 -1.087 1.00 0.00 C ATOM 1336 C VAL A 89 1.677 -5.192 -2.560 1.00 0.00 C ATOM 1337 O VAL A 89 2.578 -5.916 -2.976 1.00 0.00 O ATOM 1338 CB VAL A 89 2.119 -4.053 -0.384 1.00 0.00 C ATOM 1339 CG1 VAL A 89 1.754 -3.906 1.083 1.00 0.00 C ATOM 1340 CG2 VAL A 89 3.605 -4.272 -0.537 1.00 0.00 C ATOM 0 H VAL A 89 2.467 -6.885 -0.845 1.00 0.00 H new ATOM 0 HA VAL A 89 0.256 -4.981 -0.937 1.00 0.00 H new ATOM 0 HB VAL A 89 1.846 -3.121 -0.879 1.00 0.00 H new ATOM 0 HG11 VAL A 89 2.343 -3.103 1.526 1.00 0.00 H new ATOM 0 HG12 VAL A 89 0.694 -3.670 1.172 1.00 0.00 H new ATOM 0 HG13 VAL A 89 1.963 -4.840 1.605 1.00 0.00 H new ATOM 0 HG21 VAL A 89 4.145 -3.468 -0.037 1.00 0.00 H new ATOM 0 HG22 VAL A 89 3.880 -5.227 -0.089 1.00 0.00 H new ATOM 0 HG23 VAL A 89 3.865 -4.280 -1.596 1.00 0.00 H new ATOM 1350 N LEU A 90 0.938 -4.485 -3.344 1.00 0.00 N ATOM 1351 CA LEU A 90 1.262 -4.329 -4.729 1.00 0.00 C ATOM 1352 C LEU A 90 1.673 -2.897 -4.954 1.00 0.00 C ATOM 1353 O LEU A 90 1.242 -2.011 -4.229 1.00 0.00 O ATOM 1354 CB LEU A 90 0.053 -4.730 -5.624 1.00 0.00 C ATOM 1355 CG LEU A 90 -1.082 -3.723 -5.753 1.00 0.00 C ATOM 1356 CD1 LEU A 90 -0.809 -2.777 -6.891 1.00 0.00 C ATOM 1357 CD2 LEU A 90 -2.427 -4.389 -5.927 1.00 0.00 C ATOM 0 H LEU A 90 0.092 -3.997 -3.048 1.00 0.00 H new ATOM 0 HA LEU A 90 2.086 -4.988 -5.004 1.00 0.00 H new ATOM 0 HB2 LEU A 90 0.430 -4.944 -6.624 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -0.363 -5.659 -5.234 1.00 0.00 H new ATOM 0 HG LEU A 90 -1.125 -3.161 -4.820 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -1.627 -2.062 -6.974 1.00 0.00 H new ATOM 0 HD12 LEU A 90 0.123 -2.243 -6.705 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -0.724 -3.340 -7.820 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -3.202 -3.627 -6.014 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -2.416 -5.000 -6.829 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -2.635 -5.021 -5.063 1.00 0.00 H new ATOM 1369 N SER A 91 2.481 -2.667 -5.919 1.00 0.00 N ATOM 1370 CA SER A 91 2.940 -1.351 -6.198 1.00 0.00 C ATOM 1371 C SER A 91 2.084 -0.683 -7.268 1.00 0.00 C ATOM 1372 O SER A 91 1.746 -1.287 -8.277 1.00 0.00 O ATOM 1373 CB SER A 91 4.399 -1.408 -6.631 1.00 0.00 C ATOM 1374 OG SER A 91 4.577 -1.906 -7.938 1.00 0.00 O ATOM 0 H SER A 91 2.847 -3.386 -6.543 1.00 0.00 H new ATOM 0 HA SER A 91 2.856 -0.749 -5.293 1.00 0.00 H new ATOM 0 HB2 SER A 91 4.828 -0.408 -6.570 1.00 0.00 H new ATOM 0 HB3 SER A 91 4.953 -2.035 -5.933 1.00 0.00 H new ATOM 0 HG SER A 91 5.532 -1.916 -8.157 1.00 0.00 H new ATOM 1380 N LEU A 92 1.754 0.555 -7.047 1.00 0.00 N ATOM 1381 CA LEU A 92 1.014 1.367 -8.009 1.00 0.00 C ATOM 1382 C LEU A 92 1.989 2.066 -8.934 1.00 0.00 C ATOM 1383 O LEU A 92 1.635 2.969 -9.697 1.00 0.00 O ATOM 1384 CB LEU A 92 0.188 2.389 -7.249 1.00 0.00 C ATOM 1385 CG LEU A 92 -0.976 1.817 -6.460 1.00 0.00 C ATOM 1386 CD1 LEU A 92 -1.498 2.836 -5.526 1.00 0.00 C ATOM 1387 CD2 LEU A 92 -2.082 1.445 -7.386 1.00 0.00 C ATOM 0 H LEU A 92 1.987 1.050 -6.186 1.00 0.00 H new ATOM 0 HA LEU A 92 0.354 0.737 -8.606 1.00 0.00 H new ATOM 0 HB2 LEU A 92 0.843 2.925 -6.563 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -0.199 3.121 -7.958 1.00 0.00 H new ATOM 0 HG LEU A 92 -0.623 0.942 -5.914 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -2.333 2.420 -4.963 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -0.709 3.136 -4.836 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -1.838 3.705 -6.089 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -2.914 1.035 -6.813 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -2.416 2.330 -7.928 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -1.727 0.697 -8.095 1.00 0.00 H new ATOM 1399 N ASP A 93 3.209 1.621 -8.870 1.00 0.00 N ATOM 1400 CA ASP A 93 4.287 2.201 -9.613 1.00 0.00 C ATOM 1401 C ASP A 93 4.631 1.330 -10.766 1.00 0.00 C ATOM 1402 O ASP A 93 4.468 1.708 -11.917 1.00 0.00 O ATOM 1403 CB ASP A 93 5.523 2.385 -8.726 1.00 0.00 C ATOM 1404 CG ASP A 93 5.306 3.372 -7.620 1.00 0.00 C ATOM 1405 OD1 ASP A 93 4.840 2.979 -6.539 1.00 0.00 O ATOM 1406 OD2 ASP A 93 5.594 4.571 -7.826 1.00 0.00 O ATOM 0 H ASP A 93 3.487 0.830 -8.289 1.00 0.00 H new ATOM 0 HA ASP A 93 3.967 3.179 -9.974 1.00 0.00 H new ATOM 0 HB2 ASP A 93 5.803 1.423 -8.297 1.00 0.00 H new ATOM 0 HB3 ASP A 93 6.360 2.715 -9.342 1.00 0.00 H new ATOM 1411 N ASN A 94 5.064 0.139 -10.466 1.00 0.00 N ATOM 1412 CA ASN A 94 5.498 -0.773 -11.513 1.00 0.00 C ATOM 1413 C ASN A 94 4.522 -1.911 -11.616 1.00 0.00 C ATOM 1414 O ASN A 94 4.562 -2.699 -12.552 1.00 0.00 O ATOM 1415 CB ASN A 94 6.919 -1.288 -11.210 1.00 0.00 C ATOM 1416 CG ASN A 94 7.500 -2.189 -12.282 1.00 0.00 C ATOM 1417 OD1 ASN A 94 7.354 -3.416 -12.239 1.00 0.00 O ATOM 1418 ND2 ASN A 94 8.155 -1.602 -13.235 1.00 0.00 N ATOM 0 H ASN A 94 5.130 -0.231 -9.518 1.00 0.00 H new ATOM 0 HA ASN A 94 5.527 -0.249 -12.469 1.00 0.00 H new ATOM 0 HB2 ASN A 94 7.581 -0.433 -11.073 1.00 0.00 H new ATOM 0 HB3 ASN A 94 6.902 -1.832 -10.266 1.00 0.00 H new ATOM 0 HD21 ASN A 94 8.571 -2.156 -13.984 1.00 0.00 H new ATOM 0 HD22 ASN A 94 8.254 -0.587 -13.236 1.00 0.00 H new ATOM 1425 N TRP A 95 3.602 -1.939 -10.667 1.00 0.00 N ATOM 1426 CA TRP A 95 2.635 -3.003 -10.524 1.00 0.00 C ATOM 1427 C TRP A 95 3.343 -4.293 -10.212 1.00 0.00 C ATOM 1428 O TRP A 95 3.381 -5.227 -11.010 1.00 0.00 O ATOM 1429 CB TRP A 95 1.663 -3.130 -11.721 1.00 0.00 C ATOM 1430 CG TRP A 95 0.840 -1.896 -11.935 1.00 0.00 C ATOM 1431 CD1 TRP A 95 1.108 -0.872 -12.791 1.00 0.00 C ATOM 1432 CD2 TRP A 95 -0.374 -1.549 -11.265 1.00 0.00 C ATOM 1433 NE1 TRP A 95 0.136 0.087 -12.696 1.00 0.00 N ATOM 1434 CE2 TRP A 95 -0.784 -0.303 -11.762 1.00 0.00 C ATOM 1435 CE3 TRP A 95 -1.153 -2.170 -10.295 1.00 0.00 C ATOM 1436 CZ2 TRP A 95 -1.939 0.336 -11.317 1.00 0.00 C ATOM 1437 CZ3 TRP A 95 -2.298 -1.539 -9.854 1.00 0.00 C ATOM 1438 CH2 TRP A 95 -2.678 -0.297 -10.366 1.00 0.00 C ATOM 0 H TRP A 95 3.508 -1.207 -9.963 1.00 0.00 H new ATOM 0 HA TRP A 95 1.989 -2.746 -9.684 1.00 0.00 H new ATOM 0 HB2 TRP A 95 2.233 -3.342 -12.625 1.00 0.00 H new ATOM 0 HB3 TRP A 95 1.000 -3.979 -11.556 1.00 0.00 H new ATOM 0 HD1 TRP A 95 1.963 -0.823 -13.449 1.00 0.00 H new ATOM 0 HE1 TRP A 95 0.103 0.953 -13.235 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -0.866 -3.131 -9.893 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -2.236 1.296 -11.711 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -2.910 -2.013 -9.101 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -3.579 0.172 -9.999 1.00 0.00 H new ATOM 1449 N SER A 96 4.030 -4.288 -9.107 1.00 0.00 N ATOM 1450 CA SER A 96 4.687 -5.455 -8.647 1.00 0.00 C ATOM 1451 C SER A 96 4.025 -5.866 -7.393 1.00 0.00 C ATOM 1452 O SER A 96 3.245 -5.110 -6.838 1.00 0.00 O ATOM 1453 CB SER A 96 6.131 -5.159 -8.349 1.00 0.00 C ATOM 1454 OG SER A 96 6.730 -4.442 -9.431 1.00 0.00 O ATOM 0 H SER A 96 4.145 -3.471 -8.507 1.00 0.00 H new ATOM 0 HA SER A 96 4.637 -6.235 -9.406 1.00 0.00 H new ATOM 0 HB2 SER A 96 6.207 -4.575 -7.432 1.00 0.00 H new ATOM 0 HB3 SER A 96 6.671 -6.090 -8.179 1.00 0.00 H new ATOM 0 HG SER A 96 7.669 -4.256 -9.220 1.00 0.00 H new ATOM 1460 N VAL A 97 4.316 -7.016 -6.949 1.00 0.00 N ATOM 1461 CA VAL A 97 3.821 -7.454 -5.712 1.00 0.00 C ATOM 1462 C VAL A 97 4.982 -7.689 -4.796 1.00 0.00 C ATOM 1463 O VAL A 97 6.026 -8.161 -5.233 1.00 0.00 O ATOM 1464 CB VAL A 97 2.972 -8.720 -5.881 1.00 0.00 C ATOM 1465 CG1 VAL A 97 2.758 -9.380 -4.587 1.00 0.00 C ATOM 1466 CG2 VAL A 97 1.638 -8.372 -6.422 1.00 0.00 C ATOM 0 H VAL A 97 4.909 -7.688 -7.435 1.00 0.00 H new ATOM 0 HA VAL A 97 3.169 -6.694 -5.281 1.00 0.00 H new ATOM 0 HB VAL A 97 3.507 -9.383 -6.561 1.00 0.00 H new ATOM 0 HG11 VAL A 97 2.153 -10.275 -4.731 1.00 0.00 H new ATOM 0 HG12 VAL A 97 3.720 -9.657 -4.156 1.00 0.00 H new ATOM 0 HG13 VAL A 97 2.241 -8.698 -3.912 1.00 0.00 H new ATOM 0 HG21 VAL A 97 1.044 -9.279 -6.538 1.00 0.00 H new ATOM 0 HG22 VAL A 97 1.133 -7.693 -5.735 1.00 0.00 H new ATOM 0 HG23 VAL A 97 1.754 -7.888 -7.392 1.00 0.00 H new ATOM 1476 N TRP A 98 4.818 -7.357 -3.564 1.00 0.00 N ATOM 1477 CA TRP A 98 5.830 -7.562 -2.617 1.00 0.00 C ATOM 1478 C TRP A 98 5.259 -8.366 -1.490 1.00 0.00 C ATOM 1479 O TRP A 98 4.119 -8.086 -1.022 1.00 0.00 O ATOM 1480 CB TRP A 98 6.381 -6.255 -2.082 1.00 0.00 C ATOM 1481 CG TRP A 98 7.666 -6.480 -1.411 1.00 0.00 C ATOM 1482 CD1 TRP A 98 7.897 -6.645 -0.080 1.00 0.00 C ATOM 1483 CD2 TRP A 98 8.903 -6.637 -2.066 1.00 0.00 C ATOM 1484 NE1 TRP A 98 9.223 -6.888 0.127 1.00 0.00 N ATOM 1485 CE2 TRP A 98 9.862 -6.887 -1.087 1.00 0.00 C ATOM 1486 CE3 TRP A 98 9.288 -6.584 -3.407 1.00 0.00 C ATOM 1487 CZ2 TRP A 98 11.184 -7.090 -1.396 1.00 0.00 C ATOM 1488 CZ3 TRP A 98 10.602 -6.785 -3.724 1.00 0.00 C ATOM 1489 CH2 TRP A 98 11.547 -7.041 -2.721 1.00 0.00 C ATOM 0 H TRP A 98 3.968 -6.933 -3.193 1.00 0.00 H new ATOM 0 HA TRP A 98 6.656 -8.088 -3.096 1.00 0.00 H new ATOM 0 HB2 TRP A 98 6.509 -5.545 -2.899 1.00 0.00 H new ATOM 0 HB3 TRP A 98 5.671 -5.812 -1.383 1.00 0.00 H new ATOM 0 HD1 TRP A 98 7.145 -6.592 0.694 1.00 0.00 H new ATOM 0 HE1 TRP A 98 9.665 -7.044 1.033 1.00 0.00 H new ATOM 0 HE3 TRP A 98 8.560 -6.388 -4.180 1.00 0.00 H new ATOM 0 HZ2 TRP A 98 11.914 -7.282 -0.624 1.00 0.00 H new ATOM 0 HZ3 TRP A 98 10.915 -6.746 -4.757 1.00 0.00 H new ATOM 0 HH2 TRP A 98 12.579 -7.203 -2.994 1.00 0.00 H new ATOM 1500 N CYS A 99 6.006 -9.371 -1.054 1.00 0.00 N ATOM 1501 CA CYS A 99 5.603 -10.142 0.084 1.00 0.00 C ATOM 1502 C CYS A 99 6.623 -9.923 1.122 1.00 0.00 C ATOM 1503 O CYS A 99 7.743 -10.324 0.945 1.00 0.00 O ATOM 1504 CB CYS A 99 5.458 -11.653 -0.227 1.00 0.00 C ATOM 1505 SG CYS A 99 5.152 -12.692 1.242 1.00 0.00 S ATOM 0 H CYS A 99 6.888 -9.660 -1.477 1.00 0.00 H new ATOM 0 HA CYS A 99 4.614 -9.819 0.409 1.00 0.00 H new ATOM 0 HB2 CYS A 99 4.639 -11.790 -0.933 1.00 0.00 H new ATOM 0 HB3 CYS A 99 6.366 -12.000 -0.721 1.00 0.00 H new ATOM 1510 N TYR A 100 6.249 -9.310 2.203 1.00 0.00 N ATOM 1511 CA TYR A 100 7.225 -8.936 3.228 1.00 0.00 C ATOM 1512 C TYR A 100 7.804 -10.140 3.953 1.00 0.00 C ATOM 1513 O TYR A 100 8.934 -10.116 4.398 1.00 0.00 O ATOM 1514 CB TYR A 100 6.628 -8.010 4.254 1.00 0.00 C ATOM 1515 CG TYR A 100 6.202 -6.654 3.777 1.00 0.00 C ATOM 1516 CD1 TYR A 100 7.131 -5.649 3.523 1.00 0.00 C ATOM 1517 CD2 TYR A 100 4.866 -6.365 3.621 1.00 0.00 C ATOM 1518 CE1 TYR A 100 6.731 -4.402 3.120 1.00 0.00 C ATOM 1519 CE2 TYR A 100 4.454 -5.111 3.211 1.00 0.00 C ATOM 1520 CZ TYR A 100 5.401 -4.133 2.961 1.00 0.00 C ATOM 1521 OH TYR A 100 5.011 -2.881 2.555 1.00 0.00 O ATOM 0 H TYR A 100 5.285 -9.051 2.415 1.00 0.00 H new ATOM 0 HA TYR A 100 8.026 -8.428 2.690 1.00 0.00 H new ATOM 0 HB2 TYR A 100 5.761 -8.503 4.692 1.00 0.00 H new ATOM 0 HB3 TYR A 100 7.356 -7.875 5.054 1.00 0.00 H new ATOM 0 HD1 TYR A 100 8.184 -5.855 3.646 1.00 0.00 H new ATOM 0 HD2 TYR A 100 4.129 -7.129 3.822 1.00 0.00 H new ATOM 0 HE1 TYR A 100 7.465 -3.634 2.928 1.00 0.00 H new ATOM 0 HE2 TYR A 100 3.403 -4.896 3.087 1.00 0.00 H new ATOM 0 HH TYR A 100 5.405 -2.684 1.680 1.00 0.00 H new ATOM 1531 N VAL A 101 7.038 -11.189 4.045 1.00 0.00 N ATOM 1532 CA VAL A 101 7.470 -12.361 4.788 1.00 0.00 C ATOM 1533 C VAL A 101 8.316 -13.297 3.894 1.00 0.00 C ATOM 1534 O VAL A 101 9.033 -14.164 4.371 1.00 0.00 O ATOM 1535 CB VAL A 101 6.258 -13.079 5.416 1.00 0.00 C ATOM 1536 CG1 VAL A 101 5.329 -13.530 4.345 1.00 0.00 C ATOM 1537 CG2 VAL A 101 6.669 -14.230 6.329 1.00 0.00 C ATOM 0 H VAL A 101 6.114 -11.267 3.621 1.00 0.00 H new ATOM 0 HA VAL A 101 8.114 -12.043 5.608 1.00 0.00 H new ATOM 0 HB VAL A 101 5.738 -12.364 6.054 1.00 0.00 H new ATOM 0 HG11 VAL A 101 4.475 -14.037 4.794 1.00 0.00 H new ATOM 0 HG12 VAL A 101 4.982 -12.667 3.777 1.00 0.00 H new ATOM 0 HG13 VAL A 101 5.849 -14.218 3.678 1.00 0.00 H new ATOM 0 HG21 VAL A 101 5.778 -14.701 6.745 1.00 0.00 H new ATOM 0 HG22 VAL A 101 7.234 -14.965 5.756 1.00 0.00 H new ATOM 0 HG23 VAL A 101 7.289 -13.848 7.140 1.00 0.00 H new ATOM 1547 N CYS A 102 8.230 -13.107 2.587 1.00 0.00 N ATOM 1548 CA CYS A 102 9.108 -13.811 1.690 1.00 0.00 C ATOM 1549 C CYS A 102 10.291 -12.907 1.475 1.00 0.00 C ATOM 1550 O CYS A 102 11.444 -13.338 1.368 1.00 0.00 O ATOM 1551 CB CYS A 102 8.435 -14.054 0.348 1.00 0.00 C ATOM 1552 SG CYS A 102 7.376 -15.489 0.221 1.00 0.00 S ATOM 0 H CYS A 102 7.567 -12.477 2.136 1.00 0.00 H new ATOM 0 HA CYS A 102 9.385 -14.779 2.108 1.00 0.00 H new ATOM 0 HB2 CYS A 102 7.843 -13.173 0.101 1.00 0.00 H new ATOM 0 HB3 CYS A 102 9.213 -14.138 -0.411 1.00 0.00 H new ATOM 1557 N ASP A 103 9.947 -11.647 1.490 1.00 0.00 N ATOM 1558 CA ASP A 103 10.790 -10.507 1.225 1.00 0.00 C ATOM 1559 C ASP A 103 11.427 -10.615 -0.117 1.00 0.00 C ATOM 1560 O ASP A 103 12.639 -10.812 -0.260 1.00 0.00 O ATOM 1561 CB ASP A 103 11.771 -10.150 2.344 1.00 0.00 C ATOM 1562 CG ASP A 103 12.442 -8.803 2.119 1.00 0.00 C ATOM 1563 OD1 ASP A 103 11.752 -7.750 2.214 1.00 0.00 O ATOM 1564 OD2 ASP A 103 13.674 -8.762 1.893 1.00 0.00 O ATOM 0 H ASP A 103 8.990 -11.366 1.706 1.00 0.00 H new ATOM 0 HA ASP A 103 10.126 -9.643 1.206 1.00 0.00 H new ATOM 0 HB2 ASP A 103 11.241 -10.134 3.297 1.00 0.00 H new ATOM 0 HB3 ASP A 103 12.534 -10.925 2.416 1.00 0.00 H new ATOM 1569 N ASN A 104 10.566 -10.617 -1.102 1.00 0.00 N ATOM 1570 CA ASN A 104 10.926 -10.598 -2.443 1.00 0.00 C ATOM 1571 C ASN A 104 9.685 -10.119 -3.206 1.00 0.00 C ATOM 1572 O ASN A 104 8.585 -9.922 -2.588 1.00 0.00 O ATOM 1573 CB ASN A 104 11.311 -12.005 -2.919 1.00 0.00 C ATOM 1574 CG ASN A 104 10.123 -12.895 -3.009 1.00 0.00 C ATOM 1575 OD1 ASN A 104 9.816 -13.638 -2.123 1.00 0.00 O ATOM 1576 ND2 ASN A 104 9.460 -12.818 -4.088 1.00 0.00 N ATOM 0 H ASN A 104 9.557 -10.633 -0.954 1.00 0.00 H new ATOM 0 HA ASN A 104 11.785 -9.948 -2.609 1.00 0.00 H new ATOM 0 HB2 ASN A 104 11.793 -11.941 -3.894 1.00 0.00 H new ATOM 0 HB3 ASN A 104 12.039 -12.436 -2.231 1.00 0.00 H new ATOM 0 HD21 ASN A 104 8.634 -13.402 -4.222 1.00 0.00 H new ATOM 0 HD22 ASN A 104 9.753 -12.172 -4.821 1.00 0.00 H new ATOM 1583 N GLU A 105 9.837 -10.002 -4.505 1.00 0.00 N ATOM 1584 CA GLU A 105 8.796 -9.612 -5.413 1.00 0.00 C ATOM 1585 C GLU A 105 8.001 -10.820 -5.905 1.00 0.00 C ATOM 1586 O GLU A 105 8.588 -11.792 -6.363 1.00 0.00 O ATOM 1587 CB GLU A 105 9.458 -9.021 -6.597 1.00 0.00 C ATOM 1588 CG GLU A 105 8.475 -8.471 -7.570 1.00 0.00 C ATOM 1589 CD GLU A 105 9.100 -7.944 -8.820 1.00 0.00 C ATOM 1590 OE1 GLU A 105 9.397 -8.758 -9.730 1.00 0.00 O ATOM 1591 OE2 GLU A 105 9.303 -6.739 -8.935 1.00 0.00 O ATOM 0 H GLU A 105 10.726 -10.184 -4.971 1.00 0.00 H new ATOM 0 HA GLU A 105 8.120 -8.924 -4.905 1.00 0.00 H new ATOM 0 HB2 GLU A 105 10.133 -8.228 -6.276 1.00 0.00 H new ATOM 0 HB3 GLU A 105 10.068 -9.780 -7.088 1.00 0.00 H new ATOM 0 HG2 GLU A 105 7.761 -9.251 -7.832 1.00 0.00 H new ATOM 0 HG3 GLU A 105 7.911 -7.671 -7.091 1.00 0.00 H new ATOM 1598 N VAL A 106 6.705 -10.751 -5.868 1.00 0.00 N ATOM 1599 CA VAL A 106 5.910 -11.860 -6.315 1.00 0.00 C ATOM 1600 C VAL A 106 5.512 -11.660 -7.784 1.00 0.00 C ATOM 1601 O VAL A 106 5.371 -10.517 -8.266 1.00 0.00 O ATOM 1602 CB VAL A 106 4.663 -12.115 -5.411 1.00 0.00 C ATOM 1603 CG1 VAL A 106 3.997 -13.443 -5.769 1.00 0.00 C ATOM 1604 CG2 VAL A 106 5.077 -12.144 -3.954 1.00 0.00 C ATOM 0 H VAL A 106 6.176 -9.945 -5.536 1.00 0.00 H new ATOM 0 HA VAL A 106 6.523 -12.758 -6.234 1.00 0.00 H new ATOM 0 HB VAL A 106 3.952 -11.305 -5.577 1.00 0.00 H new ATOM 0 HG11 VAL A 106 3.130 -13.600 -5.127 1.00 0.00 H new ATOM 0 HG12 VAL A 106 3.677 -13.420 -6.811 1.00 0.00 H new ATOM 0 HG13 VAL A 106 4.708 -14.257 -5.625 1.00 0.00 H new ATOM 0 HG21 VAL A 106 4.201 -12.322 -3.330 1.00 0.00 H new ATOM 0 HG22 VAL A 106 5.802 -12.942 -3.798 1.00 0.00 H new ATOM 0 HG23 VAL A 106 5.526 -11.188 -3.684 1.00 0.00 H new ATOM 1614 N GLN A 107 5.353 -12.765 -8.457 1.00 0.00 N ATOM 1615 CA GLN A 107 5.066 -12.880 -9.833 1.00 0.00 C ATOM 1616 C GLN A 107 3.730 -13.580 -9.955 1.00 0.00 C ATOM 1617 O GLN A 107 3.488 -14.626 -9.334 1.00 0.00 O ATOM 1618 CB GLN A 107 6.187 -13.674 -10.581 1.00 0.00 C ATOM 1619 CG GLN A 107 6.499 -15.080 -10.014 1.00 0.00 C ATOM 1620 CD GLN A 107 7.216 -15.051 -8.667 1.00 0.00 C ATOM 1621 OE1 GLN A 107 6.890 -15.963 -7.801 1.00 0.00 O flip ATOM 1622 NE2 GLN A 107 7.999 -14.163 -8.386 1.00 0.00 N flip ATOM 0 H GLN A 107 5.430 -13.676 -8.006 1.00 0.00 H new ATOM 0 HA GLN A 107 5.025 -11.894 -10.296 1.00 0.00 H new ATOM 0 HB2 GLN A 107 5.898 -13.779 -11.627 1.00 0.00 H new ATOM 0 HB3 GLN A 107 7.102 -13.082 -10.561 1.00 0.00 H new ATOM 0 HG2 GLN A 107 5.567 -15.635 -9.908 1.00 0.00 H new ATOM 0 HG3 GLN A 107 7.114 -15.624 -10.732 1.00 0.00 H new ATOM 0 HE21 GLN A 107 8.241 -13.457 -9.082 1.00 0.00 H new ATOM 0 HE22 GLN A 107 8.414 -14.124 -7.455 1.00 0.00 H new ATOM 1631 N TYR A 108 2.880 -12.982 -10.684 1.00 0.00 N ATOM 1632 CA TYR A 108 1.515 -13.441 -10.876 1.00 0.00 C ATOM 1633 C TYR A 108 1.075 -13.390 -12.327 1.00 0.00 C ATOM 1634 O TYR A 108 1.655 -12.672 -13.162 1.00 0.00 O ATOM 1635 CB TYR A 108 0.569 -12.598 -10.031 1.00 0.00 C ATOM 1636 CG TYR A 108 0.783 -11.118 -10.192 1.00 0.00 C ATOM 1637 CD1 TYR A 108 0.136 -10.400 -11.175 1.00 0.00 C ATOM 1638 CD2 TYR A 108 1.650 -10.450 -9.362 1.00 0.00 C ATOM 1639 CE1 TYR A 108 0.347 -9.060 -11.323 1.00 0.00 C ATOM 1640 CE2 TYR A 108 1.872 -9.119 -9.493 1.00 0.00 C ATOM 1641 CZ TYR A 108 1.213 -8.415 -10.482 1.00 0.00 C ATOM 1642 OH TYR A 108 1.413 -7.069 -10.633 1.00 0.00 O ATOM 0 H TYR A 108 3.095 -12.126 -11.195 1.00 0.00 H new ATOM 0 HA TYR A 108 1.482 -14.485 -10.564 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -0.459 -12.840 -10.299 1.00 0.00 H new ATOM 0 HB3 TYR A 108 0.696 -12.864 -8.982 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -0.549 -10.906 -11.839 1.00 0.00 H new ATOM 0 HD2 TYR A 108 2.167 -10.997 -8.588 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -0.166 -8.512 -12.099 1.00 0.00 H new ATOM 0 HE2 TYR A 108 2.558 -8.613 -8.830 1.00 0.00 H new ATOM 0 HH TYR A 108 2.368 -6.893 -10.762 1.00 0.00 H new ATOM 1652 N CYS A 109 0.042 -14.123 -12.610 1.00 0.00 N ATOM 1653 CA CYS A 109 -0.560 -14.160 -13.903 1.00 0.00 C ATOM 1654 C CYS A 109 -2.060 -13.969 -13.680 1.00 0.00 C ATOM 1655 O CYS A 109 -2.519 -14.091 -12.540 1.00 0.00 O ATOM 1656 CB CYS A 109 -0.243 -15.501 -14.581 1.00 0.00 C ATOM 1657 SG CYS A 109 -0.708 -15.610 -16.321 1.00 0.00 S ATOM 0 H CYS A 109 -0.416 -14.727 -11.928 1.00 0.00 H new ATOM 0 HA CYS A 109 -0.179 -13.380 -14.562 1.00 0.00 H new ATOM 0 HB2 CYS A 109 0.827 -15.690 -14.495 1.00 0.00 H new ATOM 0 HB3 CYS A 109 -0.752 -16.295 -14.035 1.00 0.00 H new ATOM 0 HG CYS A 109 -0.390 -16.783 -16.782 1.00 0.00 H new ATOM 1663 N SER A 110 -2.815 -13.689 -14.723 1.00 0.00 N ATOM 1664 CA SER A 110 -4.242 -13.372 -14.602 1.00 0.00 C ATOM 1665 C SER A 110 -5.073 -14.610 -14.189 1.00 0.00 C ATOM 1666 O SER A 110 -6.213 -14.497 -13.737 1.00 0.00 O ATOM 1667 CB SER A 110 -4.736 -12.794 -15.925 1.00 0.00 C ATOM 1668 OG SER A 110 -3.854 -11.755 -16.381 1.00 0.00 O ATOM 0 H SER A 110 -2.467 -13.672 -15.681 1.00 0.00 H new ATOM 0 HA SER A 110 -4.372 -12.633 -13.811 1.00 0.00 H new ATOM 0 HB2 SER A 110 -4.795 -13.584 -16.674 1.00 0.00 H new ATOM 0 HB3 SER A 110 -5.743 -12.396 -15.801 1.00 0.00 H new ATOM 0 HG SER A 110 -4.184 -11.396 -17.231 1.00 0.00 H new ATOM 1674 N SER A 111 -4.496 -15.768 -14.353 1.00 0.00 N ATOM 1675 CA SER A 111 -5.110 -17.003 -13.953 1.00 0.00 C ATOM 1676 C SER A 111 -4.806 -17.328 -12.480 1.00 0.00 C ATOM 1677 O SER A 111 -5.319 -18.298 -11.922 1.00 0.00 O ATOM 1678 CB SER A 111 -4.634 -18.083 -14.903 1.00 0.00 C ATOM 1679 OG SER A 111 -3.245 -17.892 -15.176 1.00 0.00 O ATOM 0 H SER A 111 -3.574 -15.882 -14.774 1.00 0.00 H new ATOM 0 HA SER A 111 -6.196 -16.929 -14.013 1.00 0.00 H new ATOM 0 HB2 SER A 111 -4.798 -19.067 -14.465 1.00 0.00 H new ATOM 0 HB3 SER A 111 -5.207 -18.047 -15.830 1.00 0.00 H new ATOM 0 HG SER A 111 -2.781 -17.641 -14.350 1.00 0.00 H new ATOM 1685 N ASN A 112 -3.999 -16.499 -11.859 1.00 0.00 N ATOM 1686 CA ASN A 112 -3.660 -16.649 -10.458 1.00 0.00 C ATOM 1687 C ASN A 112 -4.428 -15.587 -9.694 1.00 0.00 C ATOM 1688 O ASN A 112 -4.625 -14.501 -10.219 1.00 0.00 O ATOM 1689 CB ASN A 112 -2.152 -16.455 -10.247 1.00 0.00 C ATOM 1690 CG ASN A 112 -1.739 -16.659 -8.805 1.00 0.00 C ATOM 1691 OD1 ASN A 112 -1.768 -15.725 -8.006 1.00 0.00 O ATOM 1692 ND2 ASN A 112 -1.341 -17.859 -8.471 1.00 0.00 N ATOM 0 H ASN A 112 -3.557 -15.698 -12.310 1.00 0.00 H new ATOM 0 HA ASN A 112 -3.920 -17.648 -10.108 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -1.607 -17.154 -10.881 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -1.870 -15.451 -10.564 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -1.039 -18.049 -7.515 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -1.333 -18.605 -9.166 1.00 0.00 H new ATOM 1699 N GLN A 113 -4.863 -15.883 -8.470 1.00 0.00 N ATOM 1700 CA GLN A 113 -5.685 -14.945 -7.663 1.00 0.00 C ATOM 1701 C GLN A 113 -4.978 -13.613 -7.460 1.00 0.00 C ATOM 1702 O GLN A 113 -5.618 -12.564 -7.428 1.00 0.00 O ATOM 1703 CB GLN A 113 -5.999 -15.513 -6.277 1.00 0.00 C ATOM 1704 CG GLN A 113 -7.011 -14.665 -5.500 1.00 0.00 C ATOM 1705 CD GLN A 113 -6.996 -14.863 -3.998 1.00 0.00 C ATOM 1706 OE1 GLN A 113 -5.832 -15.001 -3.429 1.00 0.00 O flip ATOM 1707 NE2 GLN A 113 -8.035 -14.787 -3.342 1.00 0.00 N flip ATOM 0 H GLN A 113 -4.665 -16.767 -8.002 1.00 0.00 H new ATOM 0 HA GLN A 113 -6.607 -14.801 -8.226 1.00 0.00 H new ATOM 0 HB2 GLN A 113 -6.388 -16.526 -6.385 1.00 0.00 H new ATOM 0 HB3 GLN A 113 -5.076 -15.585 -5.702 1.00 0.00 H new ATOM 0 HG2 GLN A 113 -6.821 -13.613 -5.714 1.00 0.00 H new ATOM 0 HG3 GLN A 113 -8.011 -14.890 -5.871 1.00 0.00 H new ATOM 0 HE21 GLN A 113 -8.931 -14.679 -3.817 1.00 0.00 H new ATOM 0 HE22 GLN A 113 -8.000 -14.832 -2.324 1.00 0.00 H new ATOM 1716 N LEU A 114 -3.668 -13.651 -7.337 1.00 0.00 N ATOM 1717 CA LEU A 114 -2.900 -12.458 -7.126 1.00 0.00 C ATOM 1718 C LEU A 114 -2.973 -11.589 -8.359 1.00 0.00 C ATOM 1719 O LEU A 114 -3.184 -10.386 -8.268 1.00 0.00 O ATOM 1720 CB LEU A 114 -1.457 -12.838 -6.822 1.00 0.00 C ATOM 1721 CG LEU A 114 -0.502 -11.695 -6.568 1.00 0.00 C ATOM 1722 CD1 LEU A 114 -0.968 -10.873 -5.394 1.00 0.00 C ATOM 1723 CD2 LEU A 114 0.879 -12.225 -6.319 1.00 0.00 C ATOM 0 H LEU A 114 -3.115 -14.507 -7.381 1.00 0.00 H new ATOM 0 HA LEU A 114 -3.302 -11.899 -6.281 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -1.452 -13.489 -5.948 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -1.074 -13.424 -7.658 1.00 0.00 H new ATOM 0 HG LEU A 114 -0.479 -11.055 -7.450 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -0.270 -10.054 -5.224 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -1.958 -10.468 -5.603 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -1.014 -11.502 -4.505 1.00 0.00 H new ATOM 0 HD21 LEU A 114 1.560 -11.394 -6.137 1.00 0.00 H new ATOM 0 HD22 LEU A 114 0.866 -12.881 -5.448 1.00 0.00 H new ATOM 0 HD23 LEU A 114 1.216 -12.786 -7.191 1.00 0.00 H new ATOM 1735 N GLY A 115 -2.892 -12.231 -9.506 1.00 0.00 N ATOM 1736 CA GLY A 115 -2.993 -11.528 -10.752 1.00 0.00 C ATOM 1737 C GLY A 115 -4.380 -11.007 -10.943 1.00 0.00 C ATOM 1738 O GLY A 115 -4.556 -9.897 -11.396 1.00 0.00 O ATOM 0 H GLY A 115 -2.757 -13.238 -9.593 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -2.282 -10.702 -10.770 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -2.731 -12.193 -11.575 1.00 0.00 H new ATOM 1742 N GLN A 116 -5.367 -11.824 -10.574 1.00 0.00 N ATOM 1743 CA GLN A 116 -6.783 -11.466 -10.615 1.00 0.00 C ATOM 1744 C GLN A 116 -7.058 -10.225 -9.828 1.00 0.00 C ATOM 1745 O GLN A 116 -7.728 -9.307 -10.300 1.00 0.00 O ATOM 1746 CB GLN A 116 -7.624 -12.603 -10.035 1.00 0.00 C ATOM 1747 CG GLN A 116 -7.567 -13.835 -10.862 1.00 0.00 C ATOM 1748 CD GLN A 116 -8.466 -14.947 -10.376 1.00 0.00 C ATOM 1749 OE1 GLN A 116 -7.896 -15.913 -9.720 1.00 0.00 O flip ATOM 1750 NE2 GLN A 116 -9.650 -14.990 -10.698 1.00 0.00 N flip ATOM 0 H GLN A 116 -5.200 -12.770 -10.232 1.00 0.00 H new ATOM 0 HA GLN A 116 -7.045 -11.289 -11.658 1.00 0.00 H new ATOM 0 HB2 GLN A 116 -7.276 -12.830 -9.027 1.00 0.00 H new ATOM 0 HB3 GLN A 116 -8.660 -12.276 -9.948 1.00 0.00 H new ATOM 0 HG2 GLN A 116 -7.839 -13.584 -11.887 1.00 0.00 H new ATOM 0 HG3 GLN A 116 -6.539 -14.197 -10.885 1.00 0.00 H new ATOM 0 HE21 GLN A 116 -10.067 -14.214 -11.213 1.00 0.00 H new ATOM 0 HE22 GLN A 116 -10.217 -15.801 -10.451 1.00 0.00 H new ATOM 1759 N VAL A 117 -6.493 -10.162 -8.661 1.00 0.00 N ATOM 1760 CA VAL A 117 -6.750 -9.040 -7.811 1.00 0.00 C ATOM 1761 C VAL A 117 -5.994 -7.829 -8.254 1.00 0.00 C ATOM 1762 O VAL A 117 -6.559 -6.764 -8.320 1.00 0.00 O ATOM 1763 CB VAL A 117 -6.604 -9.331 -6.314 1.00 0.00 C ATOM 1764 CG1 VAL A 117 -6.385 -8.070 -5.511 1.00 0.00 C ATOM 1765 CG2 VAL A 117 -7.864 -9.958 -5.859 1.00 0.00 C ATOM 0 H VAL A 117 -5.859 -10.864 -8.279 1.00 0.00 H new ATOM 0 HA VAL A 117 -7.810 -8.817 -7.929 1.00 0.00 H new ATOM 0 HB VAL A 117 -5.740 -9.978 -6.165 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -6.287 -8.323 -4.455 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -5.475 -7.575 -5.852 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -7.235 -7.401 -5.646 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -7.796 -10.180 -4.794 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -8.695 -9.275 -6.035 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -8.031 -10.882 -6.412 1.00 0.00 H new ATOM 1775 N VAL A 118 -4.731 -7.987 -8.578 1.00 0.00 N ATOM 1776 CA VAL A 118 -3.951 -6.876 -9.140 1.00 0.00 C ATOM 1777 C VAL A 118 -4.638 -6.313 -10.363 1.00 0.00 C ATOM 1778 O VAL A 118 -4.730 -5.124 -10.514 1.00 0.00 O ATOM 1779 CB VAL A 118 -2.495 -7.273 -9.511 1.00 0.00 C ATOM 1780 CG1 VAL A 118 -1.778 -6.130 -10.240 1.00 0.00 C ATOM 1781 CG2 VAL A 118 -1.709 -7.634 -8.276 1.00 0.00 C ATOM 0 H VAL A 118 -4.214 -8.859 -8.469 1.00 0.00 H new ATOM 0 HA VAL A 118 -3.894 -6.122 -8.355 1.00 0.00 H new ATOM 0 HB VAL A 118 -2.554 -8.137 -10.172 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -0.762 -6.437 -10.487 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -2.317 -5.888 -11.156 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -1.745 -5.251 -9.596 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -0.693 -7.909 -8.559 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -1.679 -6.779 -7.601 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -2.186 -8.476 -7.774 1.00 0.00 H new ATOM 1791 N ASP A 119 -5.204 -7.178 -11.163 1.00 0.00 N ATOM 1792 CA ASP A 119 -5.881 -6.768 -12.396 1.00 0.00 C ATOM 1793 C ASP A 119 -7.160 -6.020 -12.040 1.00 0.00 C ATOM 1794 O ASP A 119 -7.502 -4.976 -12.635 1.00 0.00 O ATOM 1795 CB ASP A 119 -6.222 -7.996 -13.235 1.00 0.00 C ATOM 1796 CG ASP A 119 -6.823 -7.644 -14.568 1.00 0.00 C ATOM 1797 OD1 ASP A 119 -6.100 -7.113 -15.447 1.00 0.00 O ATOM 1798 OD2 ASP A 119 -8.013 -7.954 -14.792 1.00 0.00 O ATOM 0 H ASP A 119 -5.217 -8.184 -10.993 1.00 0.00 H new ATOM 0 HA ASP A 119 -5.223 -6.117 -12.972 1.00 0.00 H new ATOM 0 HB2 ASP A 119 -5.318 -8.584 -13.393 1.00 0.00 H new ATOM 0 HB3 ASP A 119 -6.919 -8.626 -12.682 1.00 0.00 H new ATOM 1803 N TYR A 120 -7.828 -6.524 -11.019 1.00 0.00 N ATOM 1804 CA TYR A 120 -9.032 -5.917 -10.499 1.00 0.00 C ATOM 1805 C TYR A 120 -8.699 -4.526 -9.962 1.00 0.00 C ATOM 1806 O TYR A 120 -9.236 -3.516 -10.398 1.00 0.00 O ATOM 1807 CB TYR A 120 -9.662 -6.836 -9.408 1.00 0.00 C ATOM 1808 CG TYR A 120 -10.552 -6.138 -8.416 1.00 0.00 C ATOM 1809 CD1 TYR A 120 -11.733 -5.551 -8.796 1.00 0.00 C ATOM 1810 CD2 TYR A 120 -10.165 -6.041 -7.091 1.00 0.00 C ATOM 1811 CE1 TYR A 120 -12.511 -4.881 -7.889 1.00 0.00 C ATOM 1812 CE2 TYR A 120 -10.920 -5.367 -6.178 1.00 0.00 C ATOM 1813 CZ TYR A 120 -12.105 -4.779 -6.584 1.00 0.00 C ATOM 1814 OH TYR A 120 -12.868 -4.056 -5.692 1.00 0.00 O ATOM 0 H TYR A 120 -7.546 -7.371 -10.526 1.00 0.00 H new ATOM 0 HA TYR A 120 -9.773 -5.804 -11.290 1.00 0.00 H new ATOM 0 HB2 TYR A 120 -10.239 -7.617 -9.903 1.00 0.00 H new ATOM 0 HB3 TYR A 120 -8.857 -7.331 -8.864 1.00 0.00 H new ATOM 0 HD1 TYR A 120 -12.054 -5.618 -9.825 1.00 0.00 H new ATOM 0 HD2 TYR A 120 -9.245 -6.509 -6.773 1.00 0.00 H new ATOM 0 HE1 TYR A 120 -13.443 -4.434 -8.202 1.00 0.00 H new ATOM 0 HE2 TYR A 120 -10.597 -5.293 -5.150 1.00 0.00 H new ATOM 0 HH TYR A 120 -13.755 -3.893 -6.077 1.00 0.00 H new ATOM 1824 N VAL A 121 -7.729 -4.468 -9.132 1.00 0.00 N ATOM 1825 CA VAL A 121 -7.357 -3.255 -8.469 1.00 0.00 C ATOM 1826 C VAL A 121 -6.741 -2.273 -9.464 1.00 0.00 C ATOM 1827 O VAL A 121 -6.891 -1.063 -9.330 1.00 0.00 O ATOM 1828 CB VAL A 121 -6.375 -3.548 -7.308 1.00 0.00 C ATOM 1829 CG1 VAL A 121 -5.884 -2.296 -6.652 1.00 0.00 C ATOM 1830 CG2 VAL A 121 -7.015 -4.455 -6.285 1.00 0.00 C ATOM 0 H VAL A 121 -7.153 -5.272 -8.882 1.00 0.00 H new ATOM 0 HA VAL A 121 -8.254 -2.801 -8.048 1.00 0.00 H new ATOM 0 HB VAL A 121 -5.511 -4.051 -7.742 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -5.199 -2.553 -5.844 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -5.365 -1.680 -7.386 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -6.730 -1.742 -6.247 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -6.309 -4.649 -5.478 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -7.906 -3.975 -5.880 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -7.293 -5.397 -6.757 1.00 0.00 H new ATOM 1840 N ARG A 122 -6.111 -2.796 -10.471 1.00 0.00 N ATOM 1841 CA ARG A 122 -5.552 -1.994 -11.510 1.00 0.00 C ATOM 1842 C ARG A 122 -6.646 -1.341 -12.304 1.00 0.00 C ATOM 1843 O ARG A 122 -6.501 -0.229 -12.743 1.00 0.00 O ATOM 1844 CB ARG A 122 -4.650 -2.816 -12.380 1.00 0.00 C ATOM 1845 CG ARG A 122 -3.926 -2.033 -13.425 1.00 0.00 C ATOM 1846 CD ARG A 122 -2.855 -2.896 -14.045 1.00 0.00 C ATOM 1847 NE ARG A 122 -3.433 -4.127 -14.623 1.00 0.00 N ATOM 1848 CZ ARG A 122 -2.791 -5.294 -14.758 1.00 0.00 C ATOM 1849 NH1 ARG A 122 -1.492 -5.369 -14.487 1.00 0.00 N ATOM 1850 NH2 ARG A 122 -3.446 -6.381 -15.171 1.00 0.00 N ATOM 0 H ARG A 122 -5.971 -3.799 -10.594 1.00 0.00 H new ATOM 0 HA ARG A 122 -4.946 -1.205 -11.065 1.00 0.00 H new ATOM 0 HB2 ARG A 122 -3.919 -3.322 -11.750 1.00 0.00 H new ATOM 0 HB3 ARG A 122 -5.242 -3.591 -12.868 1.00 0.00 H new ATOM 0 HG2 ARG A 122 -4.624 -1.694 -14.190 1.00 0.00 H new ATOM 0 HG3 ARG A 122 -3.480 -1.142 -12.984 1.00 0.00 H new ATOM 0 HD2 ARG A 122 -2.336 -2.335 -14.822 1.00 0.00 H new ATOM 0 HD3 ARG A 122 -2.113 -3.158 -13.291 1.00 0.00 H new ATOM 0 HE ARG A 122 -4.400 -4.084 -14.945 1.00 0.00 H new ATOM 0 HH11 ARG A 122 -0.987 -4.539 -14.177 1.00 0.00 H new ATOM 0 HH12 ARG A 122 -1.000 -6.257 -14.589 1.00 0.00 H new ATOM 0 HH21 ARG A 122 -4.442 -6.326 -15.386 1.00 0.00 H new ATOM 0 HH22 ARG A 122 -2.951 -7.267 -15.272 1.00 0.00 H new ATOM 1864 N LYS A 123 -7.753 -2.019 -12.450 1.00 0.00 N ATOM 1865 CA LYS A 123 -8.885 -1.468 -13.067 1.00 0.00 C ATOM 1866 C LYS A 123 -9.614 -0.523 -12.098 1.00 0.00 C ATOM 1867 O LYS A 123 -10.345 0.382 -12.519 1.00 0.00 O ATOM 1868 CB LYS A 123 -9.754 -2.626 -13.483 1.00 0.00 C ATOM 1869 CG LYS A 123 -11.115 -2.234 -13.849 1.00 0.00 C ATOM 1870 CD LYS A 123 -11.853 -3.339 -14.541 1.00 0.00 C ATOM 1871 CE LYS A 123 -13.300 -2.954 -14.769 1.00 0.00 C ATOM 1872 NZ LYS A 123 -13.418 -1.680 -15.500 1.00 0.00 N ATOM 0 H LYS A 123 -7.875 -2.981 -12.133 1.00 0.00 H new ATOM 0 HA LYS A 123 -8.618 -0.869 -13.937 1.00 0.00 H new ATOM 0 HB2 LYS A 123 -9.290 -3.132 -14.330 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -9.799 -3.347 -12.667 1.00 0.00 H new ATOM 0 HG2 LYS A 123 -11.661 -1.940 -12.952 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -11.078 -1.360 -14.500 1.00 0.00 H new ATOM 0 HD2 LYS A 123 -11.375 -3.560 -15.495 1.00 0.00 H new ATOM 0 HD3 LYS A 123 -11.803 -4.248 -13.941 1.00 0.00 H new ATOM 0 HE2 LYS A 123 -13.802 -3.743 -15.329 1.00 0.00 H new ATOM 0 HE3 LYS A 123 -13.810 -2.871 -13.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 -14.397 -1.558 -15.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 -13.164 -0.893 -14.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 -12.776 -1.689 -16.318 1.00 0.00 H new ATOM 1886 N GLN A 124 -9.393 -0.714 -10.792 1.00 0.00 N ATOM 1887 CA GLN A 124 -10.017 0.186 -9.818 1.00 0.00 C ATOM 1888 C GLN A 124 -9.326 1.507 -9.835 1.00 0.00 C ATOM 1889 O GLN A 124 -9.949 2.563 -9.938 1.00 0.00 O ATOM 1890 CB GLN A 124 -10.020 -0.311 -8.371 1.00 0.00 C ATOM 1891 CG GLN A 124 -10.850 -1.529 -8.079 1.00 0.00 C ATOM 1892 CD GLN A 124 -11.940 -1.786 -9.070 1.00 0.00 C ATOM 1893 OE1 GLN A 124 -13.066 -1.314 -8.953 1.00 0.00 O ATOM 1894 NE2 GLN A 124 -11.609 -2.554 -10.027 1.00 0.00 N ATOM 0 H GLN A 124 -8.811 -1.453 -10.397 1.00 0.00 H new ATOM 0 HA GLN A 124 -11.058 0.248 -10.135 1.00 0.00 H new ATOM 0 HB2 GLN A 124 -8.991 -0.523 -8.082 1.00 0.00 H new ATOM 0 HB3 GLN A 124 -10.370 0.501 -7.733 1.00 0.00 H new ATOM 0 HG2 GLN A 124 -10.195 -2.400 -8.043 1.00 0.00 H new ATOM 0 HG3 GLN A 124 -11.293 -1.423 -7.089 1.00 0.00 H new ATOM 0 HE21 GLN A 124 -10.659 -2.922 -10.081 1.00 0.00 H new ATOM 0 HE22 GLN A 124 -12.293 -2.803 -10.741 1.00 0.00 H new ATOM 1903 N ALA A 125 -8.033 1.434 -9.717 1.00 0.00 N ATOM 1904 CA ALA A 125 -7.194 2.582 -9.698 1.00 0.00 C ATOM 1905 C ALA A 125 -7.177 3.204 -11.064 1.00 0.00 C ATOM 1906 O ALA A 125 -7.489 4.379 -11.210 1.00 0.00 O ATOM 1907 CB ALA A 125 -5.802 2.171 -9.252 1.00 0.00 C ATOM 0 H ALA A 125 -7.527 0.553 -9.630 1.00 0.00 H new ATOM 0 HA ALA A 125 -7.572 3.324 -8.994 1.00 0.00 H new ATOM 0 HB1 ALA A 125 -5.152 3.046 -9.235 1.00 0.00 H new ATOM 0 HB2 ALA A 125 -5.853 1.737 -8.253 1.00 0.00 H new ATOM 0 HB3 ALA A 125 -5.400 1.434 -9.947 1.00 0.00 H new ATOM 1913 N SER A 126 -6.898 2.366 -12.050 1.00 0.00 N ATOM 1914 CA SER A 126 -6.828 2.729 -13.454 1.00 0.00 C ATOM 1915 C SER A 126 -5.968 4.005 -13.692 1.00 0.00 C ATOM 1916 O SER A 126 -4.721 3.881 -13.770 1.00 0.00 O ATOM 1917 CB SER A 126 -8.265 2.800 -14.044 1.00 0.00 C ATOM 1918 OG SER A 126 -8.281 3.069 -15.443 1.00 0.00 O ATOM 1919 OXT SER A 126 -6.513 5.119 -13.813 1.00 0.00 O ATOM 0 H SER A 126 -6.707 1.377 -11.887 1.00 0.00 H new ATOM 0 HA SER A 126 -6.297 1.952 -14.003 1.00 0.00 H new ATOM 0 HB2 SER A 126 -8.776 1.856 -13.856 1.00 0.00 H new ATOM 0 HB3 SER A 126 -8.827 3.576 -13.524 1.00 0.00 H new ATOM 0 HG SER A 126 -9.208 3.101 -15.759 1.00 0.00 H new TER 1925 SER A 126 HETATM 1926 ZN ZN A 336 2.471 7.301 3.755 1.00 0.00 ZN HETATM 1927 ZN ZN A 337 -3.334 -4.464 5.497 1.00 0.00 ZN HETATM 1928 ZN ZN A 338 5.210 -14.942 0.681 1.00 0.00 ZN