USER MOD reduce.3.24.130724 H: found=0, std=0, add=1721, rem=0, adj=67 USER MOD reduce.3.24.130724 removed 1727 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 73 SER OG : rot -89:sc= 1.2 USER MOD Set 1.2: B 91 SER OG : rot 180:sc= 1.05 USER MOD Set 2.1: B 35 TYR OH : rot -74:sc= 0.156 USER MOD Set 2.2: B 83 GLN : amide:sc= 0.999 K(o=1.2,f=-5.7!) USER MOD Set 3.1: B 16 HIS : no HE2:sc= -0.871 K(o=0.67,f=-2.3!) USER MOD Set 3.2: B 90 THR OG1 : rot 139:sc= 1.1 USER MOD Set 3.3: B 108 CYS SG : rot 94:sc= -0.332 USER MOD Set 3.4: B 110 ASN : amide:sc= 0.781 K(o=0.67,f=-0.59) USER MOD Set 4.1: A 70 GLN : amide:sc= 0.319 K(o=0.65,f=-0.49) USER MOD Set 4.2: A 109 SER OG : rot 131:sc= 0.33 USER MOD Set 5.1: A 86 GLN :FLIP amide:sc= 0 F(o=-0.71!,f=0) USER MOD Set 5.2: A 88 THR OG1 : rot 160:sc= 0 USER MOD Set 5.3: A 106 TYR OH : rot 130:sc= 0 USER MOD Set 6.1: A 95 ASN : amide:sc= -0.0674 X(o=2.2,f=2.1) USER MOD Set 6.2: A 97 GLN : amide:sc= 0.731 K(o=2.2,f=-0.28) USER MOD Set 6.3: A 99 GLN : amide:sc= 1.49 K(o=2.2,f=-1.4) USER MOD Set 7.1: A 71 TYR OH : rot -144:sc= 1.46 USER MOD Set 7.2: A 85 THR OG1 : rot -25:sc= 2.22 USER MOD Set 7.3: A 105 ASN : amide:sc= -0.662 K(o=3,f=-2!) USER MOD Set 8.1: A 65 GLN : amide:sc= -0.0242 K(o=-0.31,f=-1.4) USER MOD Set 8.2: B 70 GLN : amide:sc= -0.29 K(o=-0.31,f=-4.4!) USER MOD Set 9.1: A 42 TYR OH : rot -159:sc= 1.2 USER MOD Set 9.2: A 57 HIS : no HD1:sc= 0.608 K(o=1.8,f=-2.1) USER MOD Set 9.3: A 61 CYS SG : rot 180:sc= 0 USER MOD Set10.1: A 13 SER OG : rot 110:sc= 1.01 USER MOD Set10.2: A 19 THR OG1 : rot -139:sc= 1.88 USER MOD Set11.1: A 12 HIS : no HE2:sc= -0.902 K(o=-1.3,f=-2.3!) USER MOD Set11.2: A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set11.3: A 45 TYR OH : rot -149:sc= 0.731 USER MOD Set11.4: A 103 CYS SG : rot 53:sc= -1.11 USER MOD Set12.1: A 7 THR OG1 : rot -50:sc= -0.0232 USER MOD Set12.2: B 97 ASN :FLIP amide:sc= -0.306 F(o=-1.2,f=-0.33) USER MOD Single : A 6 LYS NZ :NH3+ -109:sc= 1.2 (180deg=-0.453) USER MOD Single : A 10 SER OG : rot -106:sc= 0.0487 USER MOD Single : A 14 MET CE :methyl -160:sc= -0.248 (180deg=-1.03) USER MOD Single : A 17 LYS NZ :NH3+ -172:sc= 1.28 (180deg=1.04) USER MOD Single : A 20 TYR OH : rot 180:sc= -0.14 USER MOD Single : A 21 CYS SG : rot 145:sc= -3.99! USER MOD Single : A 26 THR OG1 : rot 91:sc= 0.296 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HD1:sc= -0.796 X(o=-0.8,f=-0.94) USER MOD Single : A 40 SER OG : rot -73:sc= 0.83 USER MOD Single : A 46 HIS : +bothHN:sc= -4.7! C(o=-4.7!,f=-12!) USER MOD Single : A 50 SER OG : rot -48:sc= 0.751 USER MOD Single : A 52 ASN : amide:sc= -0.605 K(o=-0.6,f=-2.7!) USER MOD Single : A 53 MET CE :methyl -130:sc= -0.162 (180deg=-0.724) USER MOD Single : A 54 THR OG1 : rot -170:sc= -0.0874 USER MOD Single : A 55 LYS NZ :NH3+ -177:sc= 1.28 (180deg=1.21) USER MOD Single : A 56 SER OG : rot 70:sc= 1.21 USER MOD Single : A 58 GLN : amide:sc= -0.0591 X(o=-0.059,f=-0.36) USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.0262 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 HIS :FLIP no HE2:sc= -0.182 F(o=-1.1,f=-0.18) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 TYR OH : rot -112:sc= 0.791 USER MOD Single : A 92 ASN : amide:sc= 0.984! C(o=0.98!,f=-12!) USER MOD Single : A 100 CYS SG : rot 140:sc= -0.541 USER MOD Single : A 102 MET CE :methyl -130:sc= -0.321 (180deg=-0.831) USER MOD Single : B 7 CYS SG : rot 180:sc= 0 USER MOD Single : B 8 GLN : amide:sc= 0.723 K(o=0.72,f=-1.5) USER MOD Single : B 10 THR OG1 : rot 180:sc= 0.00418 USER MOD Single : B 14 SER OG : rot 137:sc= 0.3 USER MOD Single : B 17 ASN : amide:sc= -0.45 K(o=-0.45,f=-9!) USER MOD Single : B 23 THR OG1 : rot 180:sc= 0.0355 USER MOD Single : B 27 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 29 CYS SG : rot 98:sc= 0.983 USER MOD Single : B 32 THR OG1 : rot 93:sc= 0.684 USER MOD Single : B 36 GLN :FLIP amide:sc= -0.0568 F(o=-2.7!,f=-0.057) USER MOD Single : B 38 GLN : amide:sc= -0.0677 K(o=-0.068,f=-3.9!) USER MOD Single : B 43 LYS NZ :NH3+ -157:sc= 0.404 (180deg=-0.565!) USER MOD Single : B 44 ASN : amide:sc= 0.481 X(o=0.48,f=0.12) USER MOD Single : B 49 CYS SG : rot 81:sc= 0.876 USER MOD Single : B 50 HIS : no HE2:sc= -0.541 K(o=-0.54,f=-6.3!) USER MOD Single : B 54 GLN : amide:sc= -0.41 K(o=-0.41,f=-1.4) USER MOD Single : B 55 GLN : amide:sc= -0.216 K(o=-0.22,f=-8.5!) USER MOD Single : B 60 SER OG : rot 81:sc= 1.2 USER MOD Single : B 62 GLN :FLIP amide:sc= -0.13 F(o=-0.84,f=-0.13) USER MOD Single : B 63 GLN : amide:sc= -0.011 X(o=-0.011,f=0) USER MOD Single : B 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 68 LYS NZ :NH3+ 147:sc= 1.44 (180deg=1.03) USER MOD Single : B 75 MET CE :methyl 158:sc= -0.25 (180deg=-0.878) USER MOD Single : B 80 SER OG : rot 160:sc= -0.988 USER MOD Single : B 81 LYS NZ :NH3+ 169:sc= 1.3 (180deg=1.15) USER MOD Single : B 82 ASN : amide:sc=-0.00565 K(o=-0.0057,f=-0.67) USER MOD Single : B 88 MET CE :methyl 140:sc= -0.271 (180deg=-2.04) USER MOD Single : B 92 SER OG : rot -177:sc= 0.0033 USER MOD Single : B 94 THR OG1 : rot -127:sc= 0.632 USER MOD Single : B 96 GLN : amide:sc= -1.66! C(o=-1.7!,f=-8.9!) USER MOD Single : B 99 TYR OH : rot -155:sc= 1.09 USER MOD Single : B 100 SER OG : rot 92:sc= 1.16 USER MOD Single : B 105 TYR OH : rot 15:sc= 0.788 USER MOD Single : B 109 THR OG1 : rot 140:sc= -0.0052 USER MOD Single : B 111 THR OG1 : rot 15:sc= 1.74 USER MOD Single : B 112 ASN : amide:sc= 1.92 K(o=1.9,f=-5.2!) USER MOD Single : B 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 6 -12.054 -12.538 -2.460 1.00 0.00 N ATOM 2 CA LYS A 6 -10.727 -11.997 -2.829 1.00 0.00 C ATOM 3 C LYS A 6 -10.415 -10.752 -2.011 1.00 0.00 C ATOM 4 O LYS A 6 -11.299 -10.183 -1.372 1.00 0.00 O ATOM 5 CB LYS A 6 -10.693 -11.664 -4.322 1.00 0.00 C ATOM 6 CG LYS A 6 -10.919 -12.869 -5.216 1.00 0.00 C ATOM 7 CD LYS A 6 -10.830 -12.503 -6.690 1.00 0.00 C ATOM 8 CE LYS A 6 -11.168 -13.692 -7.570 1.00 0.00 C ATOM 9 NZ LYS A 6 -11.010 -13.388 -9.016 1.00 0.00 N ATOM 0 HA LYS A 6 -9.971 -12.753 -2.616 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -11.455 -10.914 -4.536 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -9.729 -11.217 -4.565 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -10.179 -13.636 -4.987 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -11.899 -13.298 -5.007 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -11.513 -11.681 -6.906 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -9.825 -12.151 -6.920 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -10.525 -14.531 -7.305 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -12.194 -14.004 -7.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -11.947 -13.335 -9.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -10.521 -12.477 -9.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -10.451 -14.139 -9.470 1.00 0.00 H new ATOM 25 N THR A 7 -9.159 -10.338 -2.030 1.00 0.00 N ATOM 26 CA THR A 7 -8.733 -9.160 -1.292 1.00 0.00 C ATOM 27 C THR A 7 -7.990 -8.196 -2.210 1.00 0.00 C ATOM 28 O THR A 7 -7.315 -8.624 -3.151 1.00 0.00 O ATOM 29 CB THR A 7 -7.819 -9.556 -0.119 1.00 0.00 C ATOM 30 OG1 THR A 7 -8.189 -10.856 0.365 1.00 0.00 O ATOM 31 CG2 THR A 7 -7.916 -8.546 1.014 1.00 0.00 C ATOM 0 H THR A 7 -8.414 -10.802 -2.550 1.00 0.00 H new ATOM 0 HA THR A 7 -9.623 -8.669 -0.900 1.00 0.00 H new ATOM 0 HB THR A 7 -6.790 -9.574 -0.478 1.00 0.00 H new ATOM 0 HG1 THR A 7 -9.156 -10.884 0.522 1.00 0.00 H new ATOM 0 HG21 THR A 7 -7.260 -8.850 1.830 1.00 0.00 H new ATOM 0 HG22 THR A 7 -7.613 -7.563 0.652 1.00 0.00 H new ATOM 0 HG23 THR A 7 -8.944 -8.500 1.373 1.00 0.00 H new ATOM 39 N PHE A 8 -8.122 -6.901 -1.952 1.00 0.00 N ATOM 40 CA PHE A 8 -7.452 -5.902 -2.767 1.00 0.00 C ATOM 41 C PHE A 8 -7.025 -4.706 -1.923 1.00 0.00 C ATOM 42 O PHE A 8 -7.692 -4.339 -0.951 1.00 0.00 O ATOM 43 CB PHE A 8 -8.344 -5.464 -3.937 1.00 0.00 C ATOM 44 CG PHE A 8 -9.545 -4.645 -3.552 1.00 0.00 C ATOM 45 CD1 PHE A 8 -10.616 -5.224 -2.892 1.00 0.00 C ATOM 46 CD2 PHE A 8 -9.605 -3.296 -3.863 1.00 0.00 C ATOM 47 CE1 PHE A 8 -11.722 -4.475 -2.549 1.00 0.00 C ATOM 48 CE2 PHE A 8 -10.710 -2.541 -3.524 1.00 0.00 C ATOM 49 CZ PHE A 8 -11.769 -3.131 -2.864 1.00 0.00 C ATOM 0 H PHE A 8 -8.684 -6.522 -1.190 1.00 0.00 H new ATOM 0 HA PHE A 8 -6.551 -6.354 -3.183 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -7.740 -4.888 -4.638 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -8.685 -6.354 -4.467 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -10.585 -6.274 -2.643 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -8.777 -2.830 -4.377 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -12.551 -4.939 -2.035 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -10.746 -1.491 -3.775 1.00 0.00 H new ATOM 0 HZ PHE A 8 -12.633 -2.542 -2.594 1.00 0.00 H new ATOM 59 N LEU A 9 -5.899 -4.118 -2.296 1.00 0.00 N ATOM 60 CA LEU A 9 -5.352 -2.975 -1.587 1.00 0.00 C ATOM 61 C LEU A 9 -5.819 -1.666 -2.218 1.00 0.00 C ATOM 62 O LEU A 9 -5.775 -1.498 -3.435 1.00 0.00 O ATOM 63 CB LEU A 9 -3.817 -3.055 -1.592 1.00 0.00 C ATOM 64 CG LEU A 9 -3.093 -2.239 -0.512 1.00 0.00 C ATOM 65 CD1 LEU A 9 -2.869 -0.808 -0.970 1.00 0.00 C ATOM 66 CD2 LEU A 9 -3.873 -2.265 0.793 1.00 0.00 C ATOM 0 H LEU A 9 -5.342 -4.419 -3.095 1.00 0.00 H new ATOM 0 HA LEU A 9 -5.711 -2.996 -0.558 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -3.528 -4.100 -1.483 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -3.460 -2.725 -2.568 1.00 0.00 H new ATOM 0 HG LEU A 9 -2.119 -2.697 -0.341 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.354 -0.252 -0.187 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -2.261 -0.806 -1.875 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -3.830 -0.338 -1.178 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -3.343 -1.681 1.545 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -4.863 -1.838 0.634 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -3.973 -3.295 1.137 1.00 0.00 H new ATOM 78 N SER A 10 -6.284 -0.751 -1.382 1.00 0.00 N ATOM 79 CA SER A 10 -6.742 0.549 -1.843 1.00 0.00 C ATOM 80 C SER A 10 -5.991 1.655 -1.108 1.00 0.00 C ATOM 81 O SER A 10 -6.236 1.904 0.073 1.00 0.00 O ATOM 82 CB SER A 10 -8.246 0.687 -1.610 1.00 0.00 C ATOM 83 OG SER A 10 -8.921 -0.506 -1.960 1.00 0.00 O ATOM 0 H SER A 10 -6.354 -0.887 -0.374 1.00 0.00 H new ATOM 0 HA SER A 10 -6.544 0.638 -2.911 1.00 0.00 H new ATOM 0 HB2 SER A 10 -8.436 0.924 -0.563 1.00 0.00 H new ATOM 0 HB3 SER A 10 -8.635 1.517 -2.200 1.00 0.00 H new ATOM 0 HG SER A 10 -9.407 -0.372 -2.801 1.00 0.00 H new ATOM 89 N ARG A 11 -5.067 2.310 -1.794 1.00 0.00 N ATOM 90 CA ARG A 11 -4.297 3.376 -1.173 1.00 0.00 C ATOM 91 C ARG A 11 -5.013 4.706 -1.338 1.00 0.00 C ATOM 92 O ARG A 11 -5.345 5.116 -2.452 1.00 0.00 O ATOM 93 CB ARG A 11 -2.890 3.450 -1.763 1.00 0.00 C ATOM 94 CG ARG A 11 -1.859 4.057 -0.822 1.00 0.00 C ATOM 95 CD ARG A 11 -1.706 5.560 -1.032 1.00 0.00 C ATOM 96 NE ARG A 11 -1.322 5.896 -2.405 1.00 0.00 N ATOM 97 CZ ARG A 11 -0.127 5.633 -2.940 1.00 0.00 C ATOM 98 NH1 ARG A 11 0.826 5.076 -2.208 1.00 0.00 N ATOM 99 NH2 ARG A 11 0.124 5.943 -4.206 1.00 0.00 N ATOM 0 H ARG A 11 -4.834 2.125 -2.770 1.00 0.00 H new ATOM 0 HA ARG A 11 -4.205 3.156 -0.109 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -2.569 2.446 -2.039 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -2.921 4.038 -2.680 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -2.152 3.863 0.210 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -0.896 3.570 -0.977 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -2.646 6.056 -0.789 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -0.955 5.946 -0.343 1.00 0.00 H new ATOM 0 HE ARG A 11 -2.014 6.362 -2.992 1.00 0.00 H new ATOM 0 HH11 ARG A 11 0.649 4.846 -1.230 1.00 0.00 H new ATOM 0 HH12 ARG A 11 1.737 4.877 -2.622 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -0.598 6.385 -4.776 1.00 0.00 H new ATOM 0 HH22 ARG A 11 1.039 5.740 -4.609 1.00 0.00 H new ATOM 113 N HIS A 12 -5.257 5.366 -0.220 1.00 0.00 N ATOM 114 CA HIS A 12 -5.936 6.648 -0.217 1.00 0.00 C ATOM 115 C HIS A 12 -5.003 7.738 0.295 1.00 0.00 C ATOM 116 O HIS A 12 -3.960 7.445 0.882 1.00 0.00 O ATOM 117 CB HIS A 12 -7.192 6.583 0.658 1.00 0.00 C ATOM 118 CG HIS A 12 -8.287 5.729 0.095 1.00 0.00 C ATOM 119 ND1 HIS A 12 -8.630 5.725 -1.237 1.00 0.00 N ATOM 120 CD2 HIS A 12 -9.136 4.868 0.700 1.00 0.00 C ATOM 121 CE1 HIS A 12 -9.645 4.903 -1.425 1.00 0.00 C ATOM 122 NE2 HIS A 12 -9.973 4.367 -0.265 1.00 0.00 N ATOM 0 H HIS A 12 -4.992 5.030 0.706 1.00 0.00 H new ATOM 0 HA HIS A 12 -6.230 6.886 -1.239 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -6.917 6.201 1.641 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -7.573 7.594 0.804 1.00 0.00 H new ATOM 0 HD1 HIS A 12 -8.171 6.272 -1.966 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -9.152 4.620 1.751 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -10.127 4.703 -2.371 1.00 0.00 H new ATOM 131 N SER A 13 -5.369 8.987 0.056 1.00 0.00 N ATOM 132 CA SER A 13 -4.572 10.115 0.511 1.00 0.00 C ATOM 133 C SER A 13 -5.416 11.387 0.541 1.00 0.00 C ATOM 134 O SER A 13 -6.330 11.546 -0.271 1.00 0.00 O ATOM 135 CB SER A 13 -3.349 10.301 -0.394 1.00 0.00 C ATOM 136 OG SER A 13 -3.659 9.995 -1.744 1.00 0.00 O ATOM 0 H SER A 13 -6.215 9.246 -0.452 1.00 0.00 H new ATOM 0 HA SER A 13 -4.225 9.910 1.524 1.00 0.00 H new ATOM 0 HB2 SER A 13 -2.994 11.329 -0.324 1.00 0.00 H new ATOM 0 HB3 SER A 13 -2.538 9.660 -0.050 1.00 0.00 H new ATOM 0 HG SER A 13 -3.661 10.819 -2.274 1.00 0.00 H new ATOM 142 N MET A 14 -5.114 12.259 1.506 1.00 0.00 N ATOM 143 CA MET A 14 -5.806 13.540 1.692 1.00 0.00 C ATOM 144 C MET A 14 -7.325 13.371 1.755 1.00 0.00 C ATOM 145 O MET A 14 -7.869 13.004 2.798 1.00 0.00 O ATOM 146 CB MET A 14 -5.419 14.530 0.592 1.00 0.00 C ATOM 147 CG MET A 14 -5.719 15.978 0.948 1.00 0.00 C ATOM 148 SD MET A 14 -5.184 17.140 -0.325 1.00 0.00 S ATOM 149 CE MET A 14 -3.431 16.773 -0.400 1.00 0.00 C ATOM 0 H MET A 14 -4.374 12.095 2.189 1.00 0.00 H new ATOM 0 HA MET A 14 -5.485 13.941 2.653 1.00 0.00 H new ATOM 0 HB2 MET A 14 -4.354 14.429 0.381 1.00 0.00 H new ATOM 0 HB3 MET A 14 -5.952 14.271 -0.323 1.00 0.00 H new ATOM 0 HG2 MET A 14 -6.791 16.092 1.110 1.00 0.00 H new ATOM 0 HG3 MET A 14 -5.226 16.225 1.888 1.00 0.00 H new ATOM 0 HE1 MET A 14 -2.903 17.612 -0.854 1.00 0.00 H new ATOM 0 HE2 MET A 14 -3.051 16.607 0.608 1.00 0.00 H new ATOM 0 HE3 MET A 14 -3.272 15.877 -1.000 1.00 0.00 H new ATOM 159 N ASP A 15 -8.002 13.591 0.625 1.00 0.00 N ATOM 160 CA ASP A 15 -9.461 13.486 0.562 1.00 0.00 C ATOM 161 C ASP A 15 -9.910 12.030 0.461 1.00 0.00 C ATOM 162 O ASP A 15 -11.051 11.745 0.102 1.00 0.00 O ATOM 163 CB ASP A 15 -10.017 14.305 -0.613 1.00 0.00 C ATOM 164 CG ASP A 15 -9.705 13.710 -1.977 1.00 0.00 C ATOM 165 OD1 ASP A 15 -8.508 13.596 -2.322 1.00 0.00 O ATOM 166 OD2 ASP A 15 -10.658 13.373 -2.722 1.00 0.00 O ATOM 0 H ASP A 15 -7.562 13.843 -0.260 1.00 0.00 H new ATOM 0 HA ASP A 15 -9.862 13.896 1.489 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -11.098 14.392 -0.504 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -9.609 15.315 -0.565 1.00 0.00 H new ATOM 171 N MET A 16 -8.996 11.121 0.792 1.00 0.00 N ATOM 172 CA MET A 16 -9.258 9.684 0.775 1.00 0.00 C ATOM 173 C MET A 16 -9.528 9.191 -0.642 1.00 0.00 C ATOM 174 O MET A 16 -10.258 8.221 -0.845 1.00 0.00 O ATOM 175 CB MET A 16 -10.436 9.334 1.695 1.00 0.00 C ATOM 176 CG MET A 16 -10.330 7.955 2.330 1.00 0.00 C ATOM 177 SD MET A 16 -11.774 7.529 3.323 1.00 0.00 S ATOM 178 CE MET A 16 -11.188 6.052 4.154 1.00 0.00 C ATOM 0 H MET A 16 -8.048 11.362 1.081 1.00 0.00 H new ATOM 0 HA MET A 16 -8.366 9.180 1.146 1.00 0.00 H new ATOM 0 HB2 MET A 16 -10.504 10.083 2.484 1.00 0.00 H new ATOM 0 HB3 MET A 16 -11.362 9.390 1.122 1.00 0.00 H new ATOM 0 HG2 MET A 16 -10.201 7.208 1.546 1.00 0.00 H new ATOM 0 HG3 MET A 16 -9.439 7.916 2.957 1.00 0.00 H new ATOM 0 HE1 MET A 16 -11.971 5.667 4.807 1.00 0.00 H new ATOM 0 HE2 MET A 16 -10.930 5.296 3.413 1.00 0.00 H new ATOM 0 HE3 MET A 16 -10.306 6.294 4.748 1.00 0.00 H new ATOM 188 N LYS A 17 -8.919 9.853 -1.619 1.00 0.00 N ATOM 189 CA LYS A 17 -9.090 9.478 -3.017 1.00 0.00 C ATOM 190 C LYS A 17 -8.230 8.269 -3.364 1.00 0.00 C ATOM 191 O LYS A 17 -7.462 7.781 -2.535 1.00 0.00 O ATOM 192 CB LYS A 17 -8.736 10.646 -3.933 1.00 0.00 C ATOM 193 CG LYS A 17 -7.291 11.103 -3.827 1.00 0.00 C ATOM 194 CD LYS A 17 -6.799 11.695 -5.139 1.00 0.00 C ATOM 195 CE LYS A 17 -7.824 12.633 -5.757 1.00 0.00 C ATOM 196 NZ LYS A 17 -8.023 13.861 -4.943 1.00 0.00 N ATOM 0 H LYS A 17 -8.303 10.652 -1.469 1.00 0.00 H new ATOM 0 HA LYS A 17 -10.137 9.215 -3.167 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -8.940 10.359 -4.965 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -9.390 11.487 -3.701 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -7.200 11.845 -3.034 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -6.660 10.259 -3.548 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -5.869 12.236 -4.967 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -6.575 10.890 -5.839 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -7.501 12.912 -6.760 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -8.775 12.111 -5.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -8.822 14.405 -5.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -8.225 13.596 -3.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -7.161 14.442 -4.975 1.00 0.00 H new ATOM 210 N PHE A 18 -8.356 7.791 -4.591 1.00 0.00 N ATOM 211 CA PHE A 18 -7.594 6.635 -5.039 1.00 0.00 C ATOM 212 C PHE A 18 -6.296 7.059 -5.714 1.00 0.00 C ATOM 213 O PHE A 18 -6.307 7.603 -6.820 1.00 0.00 O ATOM 214 CB PHE A 18 -8.423 5.792 -6.010 1.00 0.00 C ATOM 215 CG PHE A 18 -9.274 4.749 -5.347 1.00 0.00 C ATOM 216 CD1 PHE A 18 -8.732 3.529 -4.977 1.00 0.00 C ATOM 217 CD2 PHE A 18 -10.616 4.985 -5.099 1.00 0.00 C ATOM 218 CE1 PHE A 18 -9.513 2.563 -4.374 1.00 0.00 C ATOM 219 CE2 PHE A 18 -11.403 4.022 -4.497 1.00 0.00 C ATOM 220 CZ PHE A 18 -10.850 2.810 -4.133 1.00 0.00 C ATOM 0 H PHE A 18 -8.979 8.185 -5.296 1.00 0.00 H new ATOM 0 HA PHE A 18 -7.350 6.039 -4.159 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -9.066 6.454 -6.591 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -7.750 5.302 -6.714 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -7.687 3.331 -5.162 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -11.052 5.932 -5.379 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -9.079 1.615 -4.091 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -12.449 4.217 -4.311 1.00 0.00 H new ATOM 0 HZ PHE A 18 -11.462 2.056 -3.660 1.00 0.00 H new ATOM 230 N THR A 19 -5.182 6.830 -5.038 1.00 0.00 N ATOM 231 CA THR A 19 -3.878 7.163 -5.591 1.00 0.00 C ATOM 232 C THR A 19 -3.091 5.890 -5.878 1.00 0.00 C ATOM 233 O THR A 19 -1.908 5.934 -6.224 1.00 0.00 O ATOM 234 CB THR A 19 -3.078 8.070 -4.642 1.00 0.00 C ATOM 235 OG1 THR A 19 -3.339 7.702 -3.279 1.00 0.00 O ATOM 236 CG2 THR A 19 -3.436 9.533 -4.866 1.00 0.00 C ATOM 0 H THR A 19 -5.154 6.415 -4.107 1.00 0.00 H new ATOM 0 HA THR A 19 -4.040 7.708 -6.521 1.00 0.00 H new ATOM 0 HB THR A 19 -2.016 7.940 -4.851 1.00 0.00 H new ATOM 0 HG1 THR A 19 -3.435 8.511 -2.734 1.00 0.00 H new ATOM 0 HG21 THR A 19 -2.859 10.157 -4.184 1.00 0.00 H new ATOM 0 HG22 THR A 19 -3.206 9.810 -5.895 1.00 0.00 H new ATOM 0 HG23 THR A 19 -4.500 9.680 -4.680 1.00 0.00 H new ATOM 244 N TYR A 20 -3.772 4.762 -5.716 1.00 0.00 N ATOM 245 CA TYR A 20 -3.208 3.440 -5.954 1.00 0.00 C ATOM 246 C TYR A 20 -4.325 2.412 -5.826 1.00 0.00 C ATOM 247 O TYR A 20 -4.970 2.320 -4.778 1.00 0.00 O ATOM 248 CB TYR A 20 -2.075 3.130 -4.968 1.00 0.00 C ATOM 249 CG TYR A 20 -1.444 1.770 -5.164 1.00 0.00 C ATOM 250 CD1 TYR A 20 -0.427 1.582 -6.091 1.00 0.00 C ATOM 251 CD2 TYR A 20 -1.867 0.673 -4.423 1.00 0.00 C ATOM 252 CE1 TYR A 20 0.151 0.340 -6.273 1.00 0.00 C ATOM 253 CE2 TYR A 20 -1.295 -0.572 -4.599 1.00 0.00 C ATOM 254 CZ TYR A 20 -0.287 -0.734 -5.525 1.00 0.00 C ATOM 255 OH TYR A 20 0.283 -1.975 -5.706 1.00 0.00 O ATOM 0 H TYR A 20 -4.745 4.740 -5.411 1.00 0.00 H new ATOM 0 HA TYR A 20 -2.779 3.406 -6.955 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -1.304 3.894 -5.065 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -2.463 3.196 -3.952 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -0.082 2.420 -6.679 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -2.657 0.796 -3.697 1.00 0.00 H new ATOM 0 HE1 TYR A 20 0.942 0.210 -6.997 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -1.636 -1.414 -4.014 1.00 0.00 H new ATOM 0 HH TYR A 20 -0.139 -2.620 -5.101 1.00 0.00 H new ATOM 265 N CYS A 21 -4.559 1.656 -6.887 1.00 0.00 N ATOM 266 CA CYS A 21 -5.624 0.664 -6.890 1.00 0.00 C ATOM 267 C CYS A 21 -5.069 -0.737 -7.112 1.00 0.00 C ATOM 268 O CYS A 21 -3.909 -0.907 -7.493 1.00 0.00 O ATOM 269 CB CYS A 21 -6.648 1.004 -7.977 1.00 0.00 C ATOM 270 SG CYS A 21 -6.999 2.772 -8.134 1.00 0.00 S ATOM 0 H CYS A 21 -4.027 1.710 -7.756 1.00 0.00 H new ATOM 0 HA CYS A 21 -6.112 0.683 -5.916 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -6.284 0.630 -8.934 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -7.578 0.477 -7.763 1.00 0.00 H new ATOM 0 HG CYS A 21 -7.210 3.063 -9.383 1.00 0.00 H new ATOM 276 N ASP A 22 -5.909 -1.734 -6.871 1.00 0.00 N ATOM 277 CA ASP A 22 -5.520 -3.128 -7.040 1.00 0.00 C ATOM 278 C ASP A 22 -6.110 -3.689 -8.330 1.00 0.00 C ATOM 279 O ASP A 22 -6.910 -3.033 -8.992 1.00 0.00 O ATOM 280 CB ASP A 22 -5.998 -3.954 -5.842 1.00 0.00 C ATOM 281 CG ASP A 22 -5.106 -5.147 -5.545 1.00 0.00 C ATOM 282 OD1 ASP A 22 -4.803 -5.920 -6.478 1.00 0.00 O ATOM 283 OD2 ASP A 22 -4.710 -5.317 -4.376 1.00 0.00 O ATOM 0 H ASP A 22 -6.870 -1.602 -6.556 1.00 0.00 H new ATOM 0 HA ASP A 22 -4.433 -3.184 -7.099 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -6.042 -3.313 -4.961 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -7.012 -4.305 -6.032 1.00 0.00 H new ATOM 288 N ASP A 23 -5.731 -4.911 -8.665 1.00 0.00 N ATOM 289 CA ASP A 23 -6.207 -5.572 -9.874 1.00 0.00 C ATOM 290 C ASP A 23 -7.500 -6.328 -9.597 1.00 0.00 C ATOM 291 O ASP A 23 -8.268 -6.633 -10.510 1.00 0.00 O ATOM 292 CB ASP A 23 -5.158 -6.563 -10.392 1.00 0.00 C ATOM 293 CG ASP A 23 -3.816 -5.925 -10.687 1.00 0.00 C ATOM 294 OD1 ASP A 23 -3.670 -5.304 -11.761 1.00 0.00 O ATOM 295 OD2 ASP A 23 -2.891 -6.060 -9.854 1.00 0.00 O ATOM 0 H ASP A 23 -5.086 -5.474 -8.110 1.00 0.00 H new ATOM 0 HA ASP A 23 -6.388 -4.803 -10.625 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -5.021 -7.353 -9.654 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.534 -7.036 -11.299 1.00 0.00 H new ATOM 300 N ARG A 24 -7.735 -6.622 -8.323 1.00 0.00 N ATOM 301 CA ARG A 24 -8.916 -7.374 -7.906 1.00 0.00 C ATOM 302 C ARG A 24 -10.181 -6.521 -7.928 1.00 0.00 C ATOM 303 O ARG A 24 -11.289 -7.045 -8.062 1.00 0.00 O ATOM 304 CB ARG A 24 -8.717 -7.945 -6.500 1.00 0.00 C ATOM 305 CG ARG A 24 -7.834 -9.181 -6.452 1.00 0.00 C ATOM 306 CD ARG A 24 -6.355 -8.822 -6.426 1.00 0.00 C ATOM 307 NE ARG A 24 -5.507 -10.008 -6.528 1.00 0.00 N ATOM 308 CZ ARG A 24 -5.032 -10.679 -5.478 1.00 0.00 C ATOM 309 NH1 ARG A 24 -5.299 -10.268 -4.243 1.00 0.00 N ATOM 310 NH2 ARG A 24 -4.293 -11.766 -5.661 1.00 0.00 N ATOM 0 H ARG A 24 -7.120 -6.350 -7.556 1.00 0.00 H new ATOM 0 HA ARG A 24 -9.043 -8.185 -8.623 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -8.280 -7.174 -5.865 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -9.691 -8.191 -6.078 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -8.080 -9.769 -5.568 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -8.040 -9.808 -7.319 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -6.131 -8.143 -7.249 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -6.126 -8.290 -5.503 1.00 0.00 H new ATOM 0 HE ARG A 24 -5.263 -10.343 -7.460 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -5.870 -9.436 -4.095 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -4.933 -10.785 -3.443 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -4.087 -12.090 -6.606 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -3.931 -12.278 -4.856 1.00 0.00 H new ATOM 324 N ILE A 25 -10.024 -5.210 -7.812 1.00 0.00 N ATOM 325 CA ILE A 25 -11.171 -4.309 -7.793 1.00 0.00 C ATOM 326 C ILE A 25 -11.934 -4.337 -9.122 1.00 0.00 C ATOM 327 O ILE A 25 -13.135 -4.057 -9.162 1.00 0.00 O ATOM 328 CB ILE A 25 -10.755 -2.861 -7.443 1.00 0.00 C ATOM 329 CG1 ILE A 25 -11.993 -1.995 -7.178 1.00 0.00 C ATOM 330 CG2 ILE A 25 -9.901 -2.259 -8.547 1.00 0.00 C ATOM 331 CD1 ILE A 25 -11.685 -0.644 -6.564 1.00 0.00 C ATOM 0 H ILE A 25 -9.119 -4.747 -7.730 1.00 0.00 H new ATOM 0 HA ILE A 25 -11.839 -4.669 -7.010 1.00 0.00 H new ATOM 0 HB ILE A 25 -10.155 -2.889 -6.533 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -12.524 -1.842 -8.118 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -12.667 -2.538 -6.516 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -9.622 -1.241 -8.277 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -9.001 -2.859 -8.679 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -10.467 -2.245 -9.478 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -12.614 -0.095 -6.409 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -11.183 -0.785 -5.607 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -11.037 -0.079 -7.234 1.00 0.00 H new ATOM 343 N THR A 26 -11.247 -4.715 -10.196 1.00 0.00 N ATOM 344 CA THR A 26 -11.861 -4.784 -11.515 1.00 0.00 C ATOM 345 C THR A 26 -12.924 -5.884 -11.580 1.00 0.00 C ATOM 346 O THR A 26 -13.870 -5.799 -12.363 1.00 0.00 O ATOM 347 CB THR A 26 -10.798 -5.033 -12.599 1.00 0.00 C ATOM 348 OG1 THR A 26 -9.558 -4.423 -12.210 1.00 0.00 O ATOM 349 CG2 THR A 26 -11.246 -4.469 -13.938 1.00 0.00 C ATOM 0 H THR A 26 -10.262 -4.979 -10.177 1.00 0.00 H new ATOM 0 HA THR A 26 -12.343 -3.824 -11.698 1.00 0.00 H new ATOM 0 HB THR A 26 -10.661 -6.109 -12.706 1.00 0.00 H new ATOM 0 HG1 THR A 26 -9.021 -5.068 -11.704 1.00 0.00 H new ATOM 0 HG21 THR A 26 -10.478 -4.658 -14.688 1.00 0.00 H new ATOM 0 HG22 THR A 26 -12.176 -4.950 -14.242 1.00 0.00 H new ATOM 0 HG23 THR A 26 -11.406 -3.395 -13.845 1.00 0.00 H new ATOM 357 N GLU A 27 -12.775 -6.906 -10.745 1.00 0.00 N ATOM 358 CA GLU A 27 -13.728 -8.011 -10.720 1.00 0.00 C ATOM 359 C GLU A 27 -14.726 -7.844 -9.580 1.00 0.00 C ATOM 360 O GLU A 27 -15.930 -8.041 -9.752 1.00 0.00 O ATOM 361 CB GLU A 27 -13.004 -9.348 -10.546 1.00 0.00 C ATOM 362 CG GLU A 27 -11.780 -9.526 -11.427 1.00 0.00 C ATOM 363 CD GLU A 27 -11.012 -10.789 -11.088 1.00 0.00 C ATOM 364 OE1 GLU A 27 -10.612 -10.947 -9.915 1.00 0.00 O ATOM 365 OE2 GLU A 27 -10.799 -11.630 -11.989 1.00 0.00 O ATOM 0 H GLU A 27 -12.007 -6.993 -10.079 1.00 0.00 H new ATOM 0 HA GLU A 27 -14.259 -8.003 -11.672 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -12.702 -9.449 -9.503 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -13.706 -10.156 -10.755 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -12.088 -9.559 -12.472 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -11.124 -8.662 -11.315 1.00 0.00 H new ATOM 372 N LEU A 28 -14.210 -7.479 -8.414 1.00 0.00 N ATOM 373 CA LEU A 28 -15.028 -7.315 -7.218 1.00 0.00 C ATOM 374 C LEU A 28 -15.980 -6.124 -7.318 1.00 0.00 C ATOM 375 O LEU A 28 -17.135 -6.210 -6.904 1.00 0.00 O ATOM 376 CB LEU A 28 -14.123 -7.163 -5.992 1.00 0.00 C ATOM 377 CG LEU A 28 -13.149 -8.322 -5.758 1.00 0.00 C ATOM 378 CD1 LEU A 28 -12.195 -7.993 -4.625 1.00 0.00 C ATOM 379 CD2 LEU A 28 -13.909 -9.604 -5.459 1.00 0.00 C ATOM 0 H LEU A 28 -13.218 -7.289 -8.270 1.00 0.00 H new ATOM 0 HA LEU A 28 -15.645 -8.208 -7.119 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -13.550 -6.242 -6.094 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -14.750 -7.051 -5.108 1.00 0.00 H new ATOM 0 HG LEU A 28 -12.566 -8.471 -6.667 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -11.510 -8.827 -4.472 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -11.626 -7.098 -4.877 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -12.762 -7.817 -3.711 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -13.201 -10.417 -5.295 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -14.517 -9.467 -4.565 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -14.555 -9.849 -6.302 1.00 0.00 H new ATOM 391 N ILE A 29 -15.506 -5.020 -7.875 1.00 0.00 N ATOM 392 CA ILE A 29 -16.331 -3.827 -7.994 1.00 0.00 C ATOM 393 C ILE A 29 -16.709 -3.552 -9.448 1.00 0.00 C ATOM 394 O ILE A 29 -17.869 -3.266 -9.755 1.00 0.00 O ATOM 395 CB ILE A 29 -15.610 -2.598 -7.394 1.00 0.00 C ATOM 396 CG1 ILE A 29 -15.314 -2.833 -5.908 1.00 0.00 C ATOM 397 CG2 ILE A 29 -16.439 -1.336 -7.576 1.00 0.00 C ATOM 398 CD1 ILE A 29 -16.546 -3.135 -5.077 1.00 0.00 C ATOM 0 H ILE A 29 -14.562 -4.925 -8.249 1.00 0.00 H new ATOM 0 HA ILE A 29 -17.247 -4.008 -7.432 1.00 0.00 H new ATOM 0 HB ILE A 29 -14.668 -2.462 -7.925 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -14.612 -3.662 -5.814 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -14.821 -1.950 -5.502 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -15.909 -0.487 -7.145 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -16.604 -1.159 -8.639 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -17.399 -1.456 -7.075 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -16.255 -3.289 -4.038 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -17.241 -2.298 -5.139 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -17.029 -4.036 -5.456 1.00 0.00 H new ATOM 410 N GLY A 30 -15.735 -3.641 -10.340 1.00 0.00 N ATOM 411 CA GLY A 30 -16.001 -3.400 -11.745 1.00 0.00 C ATOM 412 C GLY A 30 -15.205 -2.236 -12.292 1.00 0.00 C ATOM 413 O GLY A 30 -15.166 -2.013 -13.502 1.00 0.00 O ATOM 0 H GLY A 30 -14.767 -3.875 -10.119 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -15.765 -4.298 -12.316 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -17.065 -3.206 -11.882 1.00 0.00 H new ATOM 417 N TYR A 31 -14.576 -1.487 -11.403 1.00 0.00 N ATOM 418 CA TYR A 31 -13.770 -0.348 -11.807 1.00 0.00 C ATOM 419 C TYR A 31 -12.304 -0.749 -11.883 1.00 0.00 C ATOM 420 O TYR A 31 -11.732 -1.197 -10.893 1.00 0.00 O ATOM 421 CB TYR A 31 -13.928 0.811 -10.820 1.00 0.00 C ATOM 422 CG TYR A 31 -15.307 1.434 -10.788 1.00 0.00 C ATOM 423 CD1 TYR A 31 -15.789 2.170 -11.863 1.00 0.00 C ATOM 424 CD2 TYR A 31 -16.123 1.296 -9.673 1.00 0.00 C ATOM 425 CE1 TYR A 31 -17.044 2.749 -11.826 1.00 0.00 C ATOM 426 CE2 TYR A 31 -17.377 1.873 -9.627 1.00 0.00 C ATOM 427 CZ TYR A 31 -17.834 2.597 -10.706 1.00 0.00 C ATOM 428 OH TYR A 31 -19.084 3.170 -10.662 1.00 0.00 O ATOM 0 H TYR A 31 -14.608 -1.647 -10.396 1.00 0.00 H new ATOM 0 HA TYR A 31 -14.113 -0.022 -12.789 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -13.683 0.454 -9.820 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -13.201 1.584 -11.070 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -15.173 2.292 -12.742 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -15.770 0.727 -8.826 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -17.404 3.318 -12.671 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -17.996 1.757 -8.750 1.00 0.00 H new ATOM 0 HH TYR A 31 -19.508 2.965 -9.802 1.00 0.00 H new ATOM 438 N HIS A 32 -11.707 -0.609 -13.059 1.00 0.00 N ATOM 439 CA HIS A 32 -10.300 -0.945 -13.234 1.00 0.00 C ATOM 440 C HIS A 32 -9.434 0.129 -12.576 1.00 0.00 C ATOM 441 O HIS A 32 -9.862 1.273 -12.455 1.00 0.00 O ATOM 442 CB HIS A 32 -9.946 -1.125 -14.727 1.00 0.00 C ATOM 443 CG HIS A 32 -10.218 0.066 -15.602 1.00 0.00 C ATOM 444 ND1 HIS A 32 -11.348 0.184 -16.382 1.00 0.00 N ATOM 445 CD2 HIS A 32 -9.486 1.179 -15.840 1.00 0.00 C ATOM 446 CE1 HIS A 32 -11.298 1.317 -17.058 1.00 0.00 C ATOM 447 NE2 HIS A 32 -10.179 1.940 -16.746 1.00 0.00 N ATOM 0 H HIS A 32 -12.171 -0.268 -13.901 1.00 0.00 H new ATOM 0 HA HIS A 32 -10.101 -1.900 -12.748 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -8.888 -1.377 -14.804 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -10.506 -1.976 -15.116 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -8.531 1.423 -15.398 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -12.047 1.673 -17.750 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -9.878 2.841 -17.118 1.00 0.00 H new ATOM 456 N PRO A 33 -8.219 -0.231 -12.132 1.00 0.00 N ATOM 457 CA PRO A 33 -7.287 0.688 -11.458 1.00 0.00 C ATOM 458 C PRO A 33 -7.234 2.105 -12.046 1.00 0.00 C ATOM 459 O PRO A 33 -7.406 3.088 -11.319 1.00 0.00 O ATOM 460 CB PRO A 33 -5.946 -0.014 -11.635 1.00 0.00 C ATOM 461 CG PRO A 33 -6.284 -1.463 -11.615 1.00 0.00 C ATOM 462 CD PRO A 33 -7.652 -1.591 -12.235 1.00 0.00 C ATOM 0 HA PRO A 33 -7.591 0.863 -10.426 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -5.469 0.270 -12.573 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -5.253 0.244 -10.834 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -5.549 -2.041 -12.175 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -6.283 -1.848 -10.595 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -7.591 -1.921 -13.272 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -8.264 -2.320 -11.704 1.00 0.00 H new ATOM 470 N GLU A 34 -7.027 2.210 -13.356 1.00 0.00 N ATOM 471 CA GLU A 34 -6.923 3.515 -14.024 1.00 0.00 C ATOM 472 C GLU A 34 -8.251 4.281 -14.042 1.00 0.00 C ATOM 473 O GLU A 34 -8.306 5.432 -14.472 1.00 0.00 O ATOM 474 CB GLU A 34 -6.414 3.328 -15.453 1.00 0.00 C ATOM 475 CG GLU A 34 -5.100 2.569 -15.531 1.00 0.00 C ATOM 476 CD GLU A 34 -3.890 3.479 -15.550 1.00 0.00 C ATOM 477 OE1 GLU A 34 -3.596 4.121 -14.521 1.00 0.00 O ATOM 478 OE2 GLU A 34 -3.217 3.552 -16.598 1.00 0.00 O ATOM 0 H GLU A 34 -6.927 1.410 -13.981 1.00 0.00 H new ATOM 0 HA GLU A 34 -6.216 4.113 -13.448 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -7.168 2.795 -16.032 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -6.288 4.306 -15.917 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -5.026 1.894 -14.679 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -5.097 1.951 -16.429 1.00 0.00 H new ATOM 485 N GLU A 35 -9.318 3.651 -13.574 1.00 0.00 N ATOM 486 CA GLU A 35 -10.627 4.293 -13.542 1.00 0.00 C ATOM 487 C GLU A 35 -10.849 4.962 -12.189 1.00 0.00 C ATOM 488 O GLU A 35 -11.799 5.724 -12.004 1.00 0.00 O ATOM 489 CB GLU A 35 -11.733 3.267 -13.808 1.00 0.00 C ATOM 490 CG GLU A 35 -13.050 3.879 -14.257 1.00 0.00 C ATOM 491 CD GLU A 35 -12.920 4.623 -15.569 1.00 0.00 C ATOM 492 OE1 GLU A 35 -12.568 5.821 -15.547 1.00 0.00 O ATOM 493 OE2 GLU A 35 -13.168 4.012 -16.631 1.00 0.00 O ATOM 0 H GLU A 35 -9.305 2.698 -13.211 1.00 0.00 H new ATOM 0 HA GLU A 35 -10.661 5.052 -14.323 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -11.390 2.568 -14.571 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -11.904 2.689 -12.900 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -13.797 3.092 -14.361 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -13.411 4.562 -13.489 1.00 0.00 H new ATOM 500 N LEU A 36 -9.963 4.668 -11.246 1.00 0.00 N ATOM 501 CA LEU A 36 -10.059 5.229 -9.905 1.00 0.00 C ATOM 502 C LEU A 36 -8.846 6.098 -9.593 1.00 0.00 C ATOM 503 O LEU A 36 -8.934 7.052 -8.820 1.00 0.00 O ATOM 504 CB LEU A 36 -10.163 4.109 -8.867 1.00 0.00 C ATOM 505 CG LEU A 36 -11.137 2.984 -9.211 1.00 0.00 C ATOM 506 CD1 LEU A 36 -10.441 1.636 -9.107 1.00 0.00 C ATOM 507 CD2 LEU A 36 -12.353 3.033 -8.300 1.00 0.00 C ATOM 0 H LEU A 36 -9.169 4.043 -11.386 1.00 0.00 H new ATOM 0 HA LEU A 36 -10.956 5.847 -9.862 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -9.173 3.677 -8.723 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -10.462 4.546 -7.914 1.00 0.00 H new ATOM 0 HG LEU A 36 -11.477 3.119 -10.238 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -11.146 0.842 -9.355 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -9.602 1.605 -9.802 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -10.076 1.493 -8.090 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -13.035 2.224 -8.560 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -12.036 2.921 -7.263 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -12.861 3.990 -8.422 1.00 0.00 H new ATOM 519 N LEU A 37 -7.719 5.760 -10.200 1.00 0.00 N ATOM 520 CA LEU A 37 -6.477 6.491 -9.987 1.00 0.00 C ATOM 521 C LEU A 37 -6.614 7.961 -10.364 1.00 0.00 C ATOM 522 O LEU A 37 -6.961 8.295 -11.498 1.00 0.00 O ATOM 523 CB LEU A 37 -5.347 5.854 -10.794 1.00 0.00 C ATOM 524 CG LEU A 37 -4.677 4.654 -10.126 1.00 0.00 C ATOM 525 CD1 LEU A 37 -4.141 3.690 -11.171 1.00 0.00 C ATOM 526 CD2 LEU A 37 -3.555 5.118 -9.211 1.00 0.00 C ATOM 0 H LEU A 37 -7.638 4.978 -10.849 1.00 0.00 H new ATOM 0 HA LEU A 37 -6.243 6.438 -8.924 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.742 5.540 -11.760 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -4.589 6.612 -10.991 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.424 4.132 -9.527 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.668 2.842 -10.675 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.962 3.334 -11.793 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.408 4.201 -11.795 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.087 4.253 -8.742 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -2.811 5.662 -9.794 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -3.961 5.773 -8.440 1.00 0.00 H new ATOM 538 N GLY A 38 -6.370 8.828 -9.390 1.00 0.00 N ATOM 539 CA GLY A 38 -6.437 10.255 -9.629 1.00 0.00 C ATOM 540 C GLY A 38 -7.829 10.828 -9.460 1.00 0.00 C ATOM 541 O GLY A 38 -8.056 12.005 -9.748 1.00 0.00 O ATOM 0 H GLY A 38 -6.126 8.566 -8.435 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -5.757 10.763 -8.945 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -6.086 10.464 -10.640 1.00 0.00 H new ATOM 545 N ARG A 39 -8.760 10.018 -8.986 1.00 0.00 N ATOM 546 CA ARG A 39 -10.125 10.480 -8.788 1.00 0.00 C ATOM 547 C ARG A 39 -10.532 10.352 -7.326 1.00 0.00 C ATOM 548 O ARG A 39 -9.924 9.592 -6.565 1.00 0.00 O ATOM 549 CB ARG A 39 -11.093 9.690 -9.672 1.00 0.00 C ATOM 550 CG ARG A 39 -11.681 8.461 -8.997 1.00 0.00 C ATOM 551 CD ARG A 39 -12.682 7.765 -9.893 1.00 0.00 C ATOM 552 NE ARG A 39 -13.739 8.664 -10.336 1.00 0.00 N ATOM 553 CZ ARG A 39 -14.430 8.499 -11.457 1.00 0.00 C ATOM 554 NH1 ARG A 39 -14.147 7.492 -12.276 1.00 0.00 N ATOM 555 NH2 ARG A 39 -15.396 9.351 -11.762 1.00 0.00 N ATOM 0 H ARG A 39 -8.599 9.043 -8.732 1.00 0.00 H new ATOM 0 HA ARG A 39 -10.169 11.532 -9.070 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -11.906 10.347 -9.981 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -10.572 9.380 -10.578 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -10.880 7.769 -8.737 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -12.166 8.753 -8.065 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -12.167 7.356 -10.762 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -13.123 6.924 -9.358 1.00 0.00 H new ATOM 0 HE ARG A 39 -13.961 9.468 -9.750 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -13.396 6.842 -12.044 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -14.681 7.369 -13.136 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -15.606 10.129 -11.137 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -15.931 9.229 -12.622 1.00 0.00 H new ATOM 569 N SER A 40 -11.559 11.096 -6.939 1.00 0.00 N ATOM 570 CA SER A 40 -12.060 11.055 -5.579 1.00 0.00 C ATOM 571 C SER A 40 -12.881 9.789 -5.352 1.00 0.00 C ATOM 572 O SER A 40 -13.661 9.375 -6.208 1.00 0.00 O ATOM 573 CB SER A 40 -12.909 12.294 -5.285 1.00 0.00 C ATOM 574 OG SER A 40 -12.104 13.461 -5.204 1.00 0.00 O ATOM 0 H SER A 40 -12.061 11.737 -7.554 1.00 0.00 H new ATOM 0 HA SER A 40 -11.209 11.046 -4.899 1.00 0.00 H new ATOM 0 HB2 SER A 40 -13.658 12.419 -6.067 1.00 0.00 H new ATOM 0 HB3 SER A 40 -13.448 12.155 -4.348 1.00 0.00 H new ATOM 0 HG SER A 40 -11.589 13.446 -4.370 1.00 0.00 H new ATOM 580 N ALA A 41 -12.699 9.175 -4.194 1.00 0.00 N ATOM 581 CA ALA A 41 -13.422 7.960 -3.860 1.00 0.00 C ATOM 582 C ALA A 41 -14.821 8.299 -3.366 1.00 0.00 C ATOM 583 O ALA A 41 -15.724 7.464 -3.397 1.00 0.00 O ATOM 584 CB ALA A 41 -12.664 7.162 -2.812 1.00 0.00 C ATOM 0 H ALA A 41 -12.057 9.498 -3.470 1.00 0.00 H new ATOM 0 HA ALA A 41 -13.510 7.349 -4.758 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -13.219 6.255 -2.573 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -11.681 6.894 -3.199 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -12.547 7.764 -1.911 1.00 0.00 H new ATOM 590 N TYR A 42 -14.993 9.545 -2.936 1.00 0.00 N ATOM 591 CA TYR A 42 -16.278 10.019 -2.432 1.00 0.00 C ATOM 592 C TYR A 42 -17.301 10.171 -3.555 1.00 0.00 C ATOM 593 O TYR A 42 -18.467 10.470 -3.299 1.00 0.00 O ATOM 594 CB TYR A 42 -16.102 11.347 -1.688 1.00 0.00 C ATOM 595 CG TYR A 42 -15.673 11.179 -0.247 1.00 0.00 C ATOM 596 CD1 TYR A 42 -16.607 10.928 0.751 1.00 0.00 C ATOM 597 CD2 TYR A 42 -14.335 11.258 0.115 1.00 0.00 C ATOM 598 CE1 TYR A 42 -16.219 10.764 2.067 1.00 0.00 C ATOM 599 CE2 TYR A 42 -13.940 11.092 1.428 1.00 0.00 C ATOM 600 CZ TYR A 42 -14.886 10.844 2.399 1.00 0.00 C ATOM 601 OH TYR A 42 -14.495 10.675 3.708 1.00 0.00 O ATOM 0 H TYR A 42 -14.254 10.248 -2.927 1.00 0.00 H new ATOM 0 HA TYR A 42 -16.658 9.270 -1.737 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -15.361 11.952 -2.211 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -17.042 11.898 -1.717 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -17.654 10.860 0.494 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -13.591 11.453 -0.643 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -16.958 10.574 2.831 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -12.895 11.156 1.692 1.00 0.00 H new ATOM 0 HH TYR A 42 -13.610 11.074 3.839 1.00 0.00 H new ATOM 611 N GLU A 43 -16.864 9.964 -4.794 1.00 0.00 N ATOM 612 CA GLU A 43 -17.754 10.063 -5.945 1.00 0.00 C ATOM 613 C GLU A 43 -18.800 8.958 -5.895 1.00 0.00 C ATOM 614 O GLU A 43 -19.967 9.169 -6.227 1.00 0.00 O ATOM 615 CB GLU A 43 -16.967 9.951 -7.248 1.00 0.00 C ATOM 616 CG GLU A 43 -16.057 11.132 -7.528 1.00 0.00 C ATOM 617 CD GLU A 43 -15.503 11.098 -8.936 1.00 0.00 C ATOM 618 OE1 GLU A 43 -16.306 11.152 -9.892 1.00 0.00 O ATOM 619 OE2 GLU A 43 -14.269 11.009 -9.095 1.00 0.00 O ATOM 0 H GLU A 43 -15.899 9.727 -5.026 1.00 0.00 H new ATOM 0 HA GLU A 43 -18.246 11.035 -5.910 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -16.366 9.042 -7.219 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -17.669 9.843 -8.075 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -16.610 12.059 -7.378 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -15.233 11.133 -6.814 1.00 0.00 H new ATOM 626 N PHE A 44 -18.363 7.780 -5.479 1.00 0.00 N ATOM 627 CA PHE A 44 -19.239 6.626 -5.377 1.00 0.00 C ATOM 628 C PHE A 44 -19.016 5.928 -4.045 1.00 0.00 C ATOM 629 O PHE A 44 -19.010 4.698 -3.958 1.00 0.00 O ATOM 630 CB PHE A 44 -18.999 5.655 -6.543 1.00 0.00 C ATOM 631 CG PHE A 44 -17.570 5.596 -7.015 1.00 0.00 C ATOM 632 CD1 PHE A 44 -16.618 4.875 -6.310 1.00 0.00 C ATOM 633 CD2 PHE A 44 -17.183 6.261 -8.169 1.00 0.00 C ATOM 634 CE1 PHE A 44 -15.308 4.821 -6.746 1.00 0.00 C ATOM 635 CE2 PHE A 44 -15.875 6.210 -8.608 1.00 0.00 C ATOM 636 CZ PHE A 44 -14.936 5.489 -7.895 1.00 0.00 C ATOM 0 H PHE A 44 -17.398 7.598 -5.204 1.00 0.00 H new ATOM 0 HA PHE A 44 -20.274 6.965 -5.431 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -19.311 4.656 -6.239 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -19.634 5.946 -7.380 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -16.904 4.350 -5.410 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -17.913 6.825 -8.730 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -14.576 4.256 -6.188 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -15.586 6.733 -9.508 1.00 0.00 H new ATOM 0 HZ PHE A 44 -13.912 5.448 -8.237 1.00 0.00 H new ATOM 646 N TYR A 45 -18.851 6.722 -2.998 1.00 0.00 N ATOM 647 CA TYR A 45 -18.619 6.185 -1.668 1.00 0.00 C ATOM 648 C TYR A 45 -19.927 5.755 -1.018 1.00 0.00 C ATOM 649 O TYR A 45 -20.304 6.255 0.046 1.00 0.00 O ATOM 650 CB TYR A 45 -17.893 7.198 -0.781 1.00 0.00 C ATOM 651 CG TYR A 45 -16.518 6.733 -0.334 1.00 0.00 C ATOM 652 CD1 TYR A 45 -16.151 5.391 -0.410 1.00 0.00 C ATOM 653 CD2 TYR A 45 -15.584 7.635 0.156 1.00 0.00 C ATOM 654 CE1 TYR A 45 -14.897 4.969 -0.008 1.00 0.00 C ATOM 655 CE2 TYR A 45 -14.329 7.220 0.558 1.00 0.00 C ATOM 656 CZ TYR A 45 -13.990 5.889 0.474 1.00 0.00 C ATOM 657 OH TYR A 45 -12.739 5.478 0.880 1.00 0.00 O ATOM 0 H TYR A 45 -18.874 7.741 -3.045 1.00 0.00 H new ATOM 0 HA TYR A 45 -17.982 5.307 -1.775 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -17.792 8.138 -1.324 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -18.503 7.402 0.099 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -16.858 4.668 -0.789 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -15.843 8.681 0.224 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -14.629 3.925 -0.071 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -13.616 7.938 0.937 1.00 0.00 H new ATOM 0 HH TYR A 45 -12.421 6.061 1.600 1.00 0.00 H new ATOM 667 N HIS A 46 -20.610 4.819 -1.683 1.00 0.00 N ATOM 668 CA HIS A 46 -21.877 4.253 -1.208 1.00 0.00 C ATOM 669 C HIS A 46 -22.979 5.305 -1.210 1.00 0.00 C ATOM 670 O HIS A 46 -22.761 6.443 -1.624 1.00 0.00 O ATOM 671 CB HIS A 46 -21.733 3.649 0.199 1.00 0.00 C ATOM 672 CG HIS A 46 -20.383 3.055 0.483 1.00 0.00 C ATOM 673 ND1 HIS A 46 -19.705 3.257 1.665 1.00 0.00 N ATOM 674 CD2 HIS A 46 -19.574 2.282 -0.282 1.00 0.00 C ATOM 675 CE1 HIS A 46 -18.541 2.639 1.612 1.00 0.00 C ATOM 676 NE2 HIS A 46 -18.437 2.042 0.443 1.00 0.00 N ATOM 0 H HIS A 46 -20.298 4.430 -2.572 1.00 0.00 H new ATOM 0 HA HIS A 46 -22.151 3.454 -1.897 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -21.938 4.425 0.937 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -22.491 2.877 0.329 1.00 0.00 H new ATOM 0 HD1 HIS A 46 -20.049 3.800 2.457 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -19.786 1.922 -1.278 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -17.798 2.625 2.396 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -17.639 1.490 0.128 1.00 0.00 H new ATOM 685 N ALA A 47 -24.160 4.916 -0.754 1.00 0.00 N ATOM 686 CA ALA A 47 -25.289 5.832 -0.700 1.00 0.00 C ATOM 687 C ALA A 47 -25.740 6.043 0.739 1.00 0.00 C ATOM 688 O ALA A 47 -25.824 7.175 1.213 1.00 0.00 O ATOM 689 CB ALA A 47 -26.439 5.309 -1.546 1.00 0.00 C ATOM 0 H ALA A 47 -24.361 3.975 -0.417 1.00 0.00 H new ATOM 0 HA ALA A 47 -24.971 6.793 -1.104 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -27.275 6.006 -1.494 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -26.113 5.209 -2.581 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -26.754 4.336 -1.170 1.00 0.00 H new ATOM 695 N LEU A 48 -26.022 4.947 1.435 1.00 0.00 N ATOM 696 CA LEU A 48 -26.461 5.018 2.821 1.00 0.00 C ATOM 697 C LEU A 48 -25.290 4.761 3.760 1.00 0.00 C ATOM 698 O LEU A 48 -25.382 4.979 4.965 1.00 0.00 O ATOM 699 CB LEU A 48 -27.590 4.012 3.089 1.00 0.00 C ATOM 700 CG LEU A 48 -27.198 2.533 2.987 1.00 0.00 C ATOM 701 CD1 LEU A 48 -28.082 1.686 3.890 1.00 0.00 C ATOM 702 CD2 LEU A 48 -27.296 2.045 1.546 1.00 0.00 C ATOM 0 H LEU A 48 -25.954 4.000 1.061 1.00 0.00 H new ATOM 0 HA LEU A 48 -26.846 6.021 3.006 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -27.987 4.196 4.087 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -28.399 4.204 2.384 1.00 0.00 H new ATOM 0 HG LEU A 48 -26.163 2.432 3.314 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -27.791 0.639 3.806 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -27.966 2.013 4.923 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -29.123 1.798 3.589 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -27.013 0.993 1.498 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -28.320 2.162 1.191 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -26.625 2.630 0.917 1.00 0.00 H new ATOM 714 N ASP A 49 -24.182 4.311 3.190 1.00 0.00 N ATOM 715 CA ASP A 49 -22.981 4.016 3.961 1.00 0.00 C ATOM 716 C ASP A 49 -21.919 5.074 3.700 1.00 0.00 C ATOM 717 O ASP A 49 -20.719 4.795 3.752 1.00 0.00 O ATOM 718 CB ASP A 49 -22.420 2.632 3.603 1.00 0.00 C ATOM 719 CG ASP A 49 -23.454 1.712 2.985 1.00 0.00 C ATOM 720 OD1 ASP A 49 -23.819 1.934 1.809 1.00 0.00 O ATOM 721 OD2 ASP A 49 -23.901 0.770 3.675 1.00 0.00 O ATOM 0 H ASP A 49 -24.089 4.141 2.189 1.00 0.00 H new ATOM 0 HA ASP A 49 -23.251 4.020 5.017 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -21.588 2.752 2.909 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -22.019 2.165 4.503 1.00 0.00 H new ATOM 726 N SER A 50 -22.363 6.284 3.399 1.00 0.00 N ATOM 727 CA SER A 50 -21.450 7.384 3.133 1.00 0.00 C ATOM 728 C SER A 50 -21.001 8.025 4.440 1.00 0.00 C ATOM 729 O SER A 50 -19.812 8.275 4.637 1.00 0.00 O ATOM 730 CB SER A 50 -22.113 8.420 2.227 1.00 0.00 C ATOM 731 OG SER A 50 -22.545 7.826 1.014 1.00 0.00 O ATOM 0 H SER A 50 -23.351 6.529 3.333 1.00 0.00 H new ATOM 0 HA SER A 50 -20.572 6.992 2.620 1.00 0.00 H new ATOM 0 HB2 SER A 50 -22.964 8.868 2.741 1.00 0.00 H new ATOM 0 HB3 SER A 50 -21.410 9.225 2.013 1.00 0.00 H new ATOM 0 HG SER A 50 -21.821 7.281 0.641 1.00 0.00 H new ATOM 737 N GLU A 51 -21.959 8.266 5.335 1.00 0.00 N ATOM 738 CA GLU A 51 -21.674 8.865 6.639 1.00 0.00 C ATOM 739 C GLU A 51 -20.651 8.037 7.403 1.00 0.00 C ATOM 740 O GLU A 51 -19.787 8.578 8.094 1.00 0.00 O ATOM 741 CB GLU A 51 -22.955 8.988 7.464 1.00 0.00 C ATOM 742 CG GLU A 51 -23.701 10.289 7.234 1.00 0.00 C ATOM 743 CD GLU A 51 -22.908 11.495 7.697 1.00 0.00 C ATOM 744 OE1 GLU A 51 -22.853 11.746 8.919 1.00 0.00 O ATOM 745 OE2 GLU A 51 -22.330 12.195 6.839 1.00 0.00 O ATOM 0 H GLU A 51 -22.945 8.054 5.179 1.00 0.00 H new ATOM 0 HA GLU A 51 -21.263 9.860 6.468 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -23.614 8.153 7.224 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -22.706 8.903 8.522 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -23.929 10.392 6.173 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -24.653 10.258 7.763 1.00 0.00 H new ATOM 752 N ASN A 52 -20.752 6.720 7.264 1.00 0.00 N ATOM 753 CA ASN A 52 -19.834 5.800 7.926 1.00 0.00 C ATOM 754 C ASN A 52 -18.406 6.052 7.454 1.00 0.00 C ATOM 755 O ASN A 52 -17.455 5.952 8.229 1.00 0.00 O ATOM 756 CB ASN A 52 -20.222 4.346 7.634 1.00 0.00 C ATOM 757 CG ASN A 52 -21.654 4.022 8.019 1.00 0.00 C ATOM 758 OD1 ASN A 52 -22.575 4.204 7.221 1.00 0.00 O ATOM 759 ND2 ASN A 52 -21.853 3.539 9.237 1.00 0.00 N ATOM 0 H ASN A 52 -21.465 6.263 6.695 1.00 0.00 H new ATOM 0 HA ASN A 52 -19.895 5.972 9.001 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -20.084 4.146 6.571 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -19.548 3.681 8.174 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -22.797 3.303 9.544 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -21.063 3.403 9.867 1.00 0.00 H new ATOM 766 N MET A 53 -18.269 6.407 6.180 1.00 0.00 N ATOM 767 CA MET A 53 -16.962 6.672 5.591 1.00 0.00 C ATOM 768 C MET A 53 -16.396 7.981 6.110 1.00 0.00 C ATOM 769 O MET A 53 -15.200 8.084 6.369 1.00 0.00 O ATOM 770 CB MET A 53 -17.044 6.724 4.062 1.00 0.00 C ATOM 771 CG MET A 53 -17.547 5.441 3.427 1.00 0.00 C ATOM 772 SD MET A 53 -16.761 3.964 4.108 1.00 0.00 S ATOM 773 CE MET A 53 -15.045 4.239 3.673 1.00 0.00 C ATOM 0 H MET A 53 -19.051 6.518 5.534 1.00 0.00 H new ATOM 0 HA MET A 53 -16.302 5.854 5.879 1.00 0.00 H new ATOM 0 HB2 MET A 53 -17.702 7.543 3.771 1.00 0.00 H new ATOM 0 HB3 MET A 53 -16.056 6.952 3.663 1.00 0.00 H new ATOM 0 HG2 MET A 53 -18.625 5.370 3.568 1.00 0.00 H new ATOM 0 HG3 MET A 53 -17.368 5.479 2.352 1.00 0.00 H new ATOM 0 HE1 MET A 53 -14.645 3.348 3.189 1.00 0.00 H new ATOM 0 HE2 MET A 53 -14.974 5.086 2.991 1.00 0.00 H new ATOM 0 HE3 MET A 53 -14.470 4.450 4.575 1.00 0.00 H new ATOM 783 N THR A 54 -17.256 8.980 6.254 1.00 0.00 N ATOM 784 CA THR A 54 -16.841 10.281 6.751 1.00 0.00 C ATOM 785 C THR A 54 -16.244 10.151 8.150 1.00 0.00 C ATOM 786 O THR A 54 -15.180 10.703 8.440 1.00 0.00 O ATOM 787 CB THR A 54 -18.032 11.255 6.780 1.00 0.00 C ATOM 788 OG1 THR A 54 -19.081 10.754 5.942 1.00 0.00 O ATOM 789 CG2 THR A 54 -17.610 12.634 6.302 1.00 0.00 C ATOM 0 H THR A 54 -18.249 8.912 6.032 1.00 0.00 H new ATOM 0 HA THR A 54 -16.081 10.676 6.077 1.00 0.00 H new ATOM 0 HB THR A 54 -18.389 11.339 7.806 1.00 0.00 H new ATOM 0 HG1 THR A 54 -19.770 11.442 5.834 1.00 0.00 H new ATOM 0 HG21 THR A 54 -18.467 13.307 6.330 1.00 0.00 H new ATOM 0 HG22 THR A 54 -16.824 13.020 6.952 1.00 0.00 H new ATOM 0 HG23 THR A 54 -17.236 12.566 5.281 1.00 0.00 H new ATOM 797 N LYS A 55 -16.918 9.387 9.002 1.00 0.00 N ATOM 798 CA LYS A 55 -16.452 9.177 10.366 1.00 0.00 C ATOM 799 C LYS A 55 -15.153 8.387 10.360 1.00 0.00 C ATOM 800 O LYS A 55 -14.194 8.751 11.038 1.00 0.00 O ATOM 801 CB LYS A 55 -17.510 8.447 11.196 1.00 0.00 C ATOM 802 CG LYS A 55 -18.905 9.034 11.058 1.00 0.00 C ATOM 803 CD LYS A 55 -18.918 10.532 11.321 1.00 0.00 C ATOM 804 CE LYS A 55 -20.022 11.227 10.536 1.00 0.00 C ATOM 805 NZ LYS A 55 -21.379 10.821 10.992 1.00 0.00 N ATOM 0 H LYS A 55 -17.787 8.904 8.772 1.00 0.00 H new ATOM 0 HA LYS A 55 -16.273 10.151 10.821 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -17.535 7.399 10.897 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -17.217 8.472 12.246 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -19.284 8.838 10.055 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -19.579 8.537 11.756 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -19.058 10.714 12.387 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -17.953 10.959 11.049 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -19.914 12.307 10.639 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -19.913 10.996 9.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -22.097 11.280 10.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -21.476 9.788 10.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -21.514 11.111 11.982 1.00 0.00 H new ATOM 819 N SER A 56 -15.121 7.318 9.571 1.00 0.00 N ATOM 820 CA SER A 56 -13.935 6.481 9.468 1.00 0.00 C ATOM 821 C SER A 56 -12.751 7.290 8.947 1.00 0.00 C ATOM 822 O SER A 56 -11.623 7.092 9.378 1.00 0.00 O ATOM 823 CB SER A 56 -14.208 5.286 8.553 1.00 0.00 C ATOM 824 OG SER A 56 -15.294 4.513 9.039 1.00 0.00 O ATOM 0 H SER A 56 -15.904 7.012 8.994 1.00 0.00 H new ATOM 0 HA SER A 56 -13.686 6.110 10.462 1.00 0.00 H new ATOM 0 HB2 SER A 56 -14.429 5.638 7.545 1.00 0.00 H new ATOM 0 HB3 SER A 56 -13.316 4.664 8.485 1.00 0.00 H new ATOM 0 HG SER A 56 -16.128 5.015 8.928 1.00 0.00 H new ATOM 830 N HIS A 57 -13.021 8.204 8.022 1.00 0.00 N ATOM 831 CA HIS A 57 -11.982 9.055 7.456 1.00 0.00 C ATOM 832 C HIS A 57 -11.400 9.953 8.542 1.00 0.00 C ATOM 833 O HIS A 57 -10.186 10.001 8.733 1.00 0.00 O ATOM 834 CB HIS A 57 -12.561 9.902 6.316 1.00 0.00 C ATOM 835 CG HIS A 57 -11.548 10.699 5.543 1.00 0.00 C ATOM 836 ND1 HIS A 57 -11.904 11.651 4.617 1.00 0.00 N ATOM 837 CD2 HIS A 57 -10.192 10.684 5.557 1.00 0.00 C ATOM 838 CE1 HIS A 57 -10.820 12.186 4.095 1.00 0.00 C ATOM 839 NE2 HIS A 57 -9.762 11.621 4.648 1.00 0.00 N ATOM 0 H HIS A 57 -13.954 8.375 7.647 1.00 0.00 H new ATOM 0 HA HIS A 57 -11.185 8.429 7.054 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -13.088 9.244 5.625 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -13.301 10.587 6.731 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -9.566 10.052 6.169 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -10.799 12.958 3.340 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -8.789 11.843 4.436 1.00 0.00 H new ATOM 848 N GLN A 58 -12.282 10.646 9.255 1.00 0.00 N ATOM 849 CA GLN A 58 -11.876 11.545 10.330 1.00 0.00 C ATOM 850 C GLN A 58 -11.094 10.783 11.395 1.00 0.00 C ATOM 851 O GLN A 58 -10.056 11.241 11.871 1.00 0.00 O ATOM 852 CB GLN A 58 -13.107 12.195 10.966 1.00 0.00 C ATOM 853 CG GLN A 58 -13.841 13.157 10.046 1.00 0.00 C ATOM 854 CD GLN A 58 -15.238 13.479 10.541 1.00 0.00 C ATOM 855 OE1 GLN A 58 -15.506 13.453 11.742 1.00 0.00 O ATOM 856 NE2 GLN A 58 -16.133 13.794 9.622 1.00 0.00 N ATOM 0 H GLN A 58 -13.290 10.601 9.106 1.00 0.00 H new ATOM 0 HA GLN A 58 -11.237 12.320 9.907 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -13.797 11.412 11.282 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -12.800 12.730 11.864 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -13.268 14.080 9.958 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -13.903 12.724 9.047 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -15.870 13.804 8.636 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -17.087 14.027 9.898 1.00 0.00 H new ATOM 865 N ASN A 59 -11.600 9.611 11.745 1.00 0.00 N ATOM 866 CA ASN A 59 -10.979 8.762 12.754 1.00 0.00 C ATOM 867 C ASN A 59 -9.618 8.244 12.290 1.00 0.00 C ATOM 868 O ASN A 59 -8.621 8.384 12.993 1.00 0.00 O ATOM 869 CB ASN A 59 -11.901 7.582 13.069 1.00 0.00 C ATOM 870 CG ASN A 59 -11.401 6.729 14.219 1.00 0.00 C ATOM 871 OD1 ASN A 59 -10.836 7.235 15.188 1.00 0.00 O ATOM 872 ND2 ASN A 59 -11.606 5.424 14.115 1.00 0.00 N ATOM 0 H ASN A 59 -12.451 9.221 11.340 1.00 0.00 H new ATOM 0 HA ASN A 59 -10.822 9.361 13.651 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -12.895 7.959 13.309 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -12.002 6.960 12.180 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -11.291 4.798 14.856 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -12.079 5.046 13.294 1.00 0.00 H new ATOM 879 N LEU A 60 -9.585 7.675 11.089 1.00 0.00 N ATOM 880 CA LEU A 60 -8.363 7.106 10.523 1.00 0.00 C ATOM 881 C LEU A 60 -7.235 8.132 10.429 1.00 0.00 C ATOM 882 O LEU A 60 -6.076 7.805 10.691 1.00 0.00 O ATOM 883 CB LEU A 60 -8.649 6.522 9.138 1.00 0.00 C ATOM 884 CG LEU A 60 -7.634 5.495 8.643 1.00 0.00 C ATOM 885 CD1 LEU A 60 -7.520 4.340 9.625 1.00 0.00 C ATOM 886 CD2 LEU A 60 -8.024 4.988 7.262 1.00 0.00 C ATOM 0 H LEU A 60 -10.400 7.595 10.481 1.00 0.00 H new ATOM 0 HA LEU A 60 -8.032 6.316 11.197 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -9.634 6.056 9.154 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -8.695 7.340 8.419 1.00 0.00 H new ATOM 0 HG LEU A 60 -6.660 5.979 8.571 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -6.792 3.618 9.255 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -7.196 4.718 10.595 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -8.490 3.855 9.730 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -7.291 4.256 6.923 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -9.007 4.520 7.310 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -8.054 5.824 6.563 1.00 0.00 H new ATOM 898 N CYS A 61 -7.577 9.366 10.070 1.00 0.00 N ATOM 899 CA CYS A 61 -6.589 10.434 9.937 1.00 0.00 C ATOM 900 C CYS A 61 -5.791 10.639 11.226 1.00 0.00 C ATOM 901 O CYS A 61 -4.588 10.911 11.181 1.00 0.00 O ATOM 902 CB CYS A 61 -7.271 11.746 9.539 1.00 0.00 C ATOM 903 SG CYS A 61 -7.737 11.847 7.795 1.00 0.00 S ATOM 0 H CYS A 61 -8.534 9.653 9.865 1.00 0.00 H new ATOM 0 HA CYS A 61 -5.892 10.132 9.155 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -8.165 11.876 10.149 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -6.602 12.574 9.772 1.00 0.00 H new ATOM 0 HG CYS A 61 -8.307 12.992 7.564 1.00 0.00 H new ATOM 909 N THR A 62 -6.452 10.494 12.369 1.00 0.00 N ATOM 910 CA THR A 62 -5.792 10.683 13.654 1.00 0.00 C ATOM 911 C THR A 62 -5.498 9.353 14.348 1.00 0.00 C ATOM 912 O THR A 62 -5.151 9.323 15.529 1.00 0.00 O ATOM 913 CB THR A 62 -6.646 11.562 14.586 1.00 0.00 C ATOM 914 OG1 THR A 62 -8.031 11.460 14.224 1.00 0.00 O ATOM 915 CG2 THR A 62 -6.205 13.016 14.512 1.00 0.00 C ATOM 0 H THR A 62 -7.440 10.247 12.432 1.00 0.00 H new ATOM 0 HA THR A 62 -4.845 11.181 13.448 1.00 0.00 H new ATOM 0 HB THR A 62 -6.510 11.208 15.608 1.00 0.00 H new ATOM 0 HG1 THR A 62 -8.568 12.021 14.822 1.00 0.00 H new ATOM 0 HG21 THR A 62 -6.823 13.618 15.179 1.00 0.00 H new ATOM 0 HG22 THR A 62 -5.161 13.095 14.814 1.00 0.00 H new ATOM 0 HG23 THR A 62 -6.315 13.378 13.490 1.00 0.00 H new ATOM 923 N LYS A 63 -5.627 8.256 13.616 1.00 0.00 N ATOM 924 CA LYS A 63 -5.378 6.937 14.183 1.00 0.00 C ATOM 925 C LYS A 63 -4.171 6.273 13.534 1.00 0.00 C ATOM 926 O LYS A 63 -3.108 6.157 14.149 1.00 0.00 O ATOM 927 CB LYS A 63 -6.610 6.043 14.026 1.00 0.00 C ATOM 928 CG LYS A 63 -7.651 6.251 15.110 1.00 0.00 C ATOM 929 CD LYS A 63 -7.068 5.997 16.486 1.00 0.00 C ATOM 930 CE LYS A 63 -8.067 6.320 17.581 1.00 0.00 C ATOM 931 NZ LYS A 63 -7.497 6.088 18.932 1.00 0.00 N ATOM 0 H LYS A 63 -5.901 8.252 12.634 1.00 0.00 H new ATOM 0 HA LYS A 63 -5.166 7.070 15.244 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -7.066 6.233 13.054 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -6.295 5.000 14.031 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -8.036 7.269 15.058 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -8.495 5.582 14.941 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -6.763 4.954 16.566 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -6.171 6.602 16.620 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -8.380 7.360 17.492 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -8.959 5.707 17.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -8.209 6.320 19.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -7.221 5.090 19.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -6.661 6.692 19.064 1.00 0.00 H new ATOM 945 N GLY A 64 -4.336 5.852 12.290 1.00 0.00 N ATOM 946 CA GLY A 64 -3.263 5.191 11.580 1.00 0.00 C ATOM 947 C GLY A 64 -3.628 3.770 11.207 1.00 0.00 C ATOM 948 O GLY A 64 -4.206 3.532 10.148 1.00 0.00 O ATOM 0 H GLY A 64 -5.199 5.957 11.757 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.023 5.754 10.678 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -2.366 5.185 12.200 1.00 0.00 H new ATOM 952 N GLN A 65 -3.322 2.826 12.084 1.00 0.00 N ATOM 953 CA GLN A 65 -3.619 1.425 11.829 1.00 0.00 C ATOM 954 C GLN A 65 -4.740 0.938 12.738 1.00 0.00 C ATOM 955 O GLN A 65 -4.548 0.778 13.944 1.00 0.00 O ATOM 956 CB GLN A 65 -2.368 0.569 12.033 1.00 0.00 C ATOM 957 CG GLN A 65 -2.562 -0.894 11.661 1.00 0.00 C ATOM 958 CD GLN A 65 -1.394 -1.760 12.086 1.00 0.00 C ATOM 959 OE1 GLN A 65 -0.722 -1.470 13.073 1.00 0.00 O ATOM 960 NE2 GLN A 65 -1.141 -2.830 11.347 1.00 0.00 N ATOM 0 H GLN A 65 -2.868 3.005 12.979 1.00 0.00 H new ATOM 0 HA GLN A 65 -3.946 1.329 10.794 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -1.554 0.982 11.436 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -2.061 0.632 13.077 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -3.475 -1.266 12.127 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -2.698 -0.977 10.583 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -1.722 -3.038 10.535 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -0.366 -3.446 11.590 1.00 0.00 H new ATOM 969 N VAL A 66 -5.907 0.713 12.152 1.00 0.00 N ATOM 970 CA VAL A 66 -7.068 0.239 12.892 1.00 0.00 C ATOM 971 C VAL A 66 -8.097 -0.378 11.942 1.00 0.00 C ATOM 972 O VAL A 66 -8.422 0.195 10.897 1.00 0.00 O ATOM 973 CB VAL A 66 -7.721 1.374 13.723 1.00 0.00 C ATOM 974 CG1 VAL A 66 -8.092 2.561 12.848 1.00 0.00 C ATOM 975 CG2 VAL A 66 -8.941 0.861 14.479 1.00 0.00 C ATOM 0 H VAL A 66 -6.076 0.853 11.156 1.00 0.00 H new ATOM 0 HA VAL A 66 -6.721 -0.527 13.586 1.00 0.00 H new ATOM 0 HB VAL A 66 -6.984 1.714 14.450 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -8.547 3.338 13.462 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -7.195 2.955 12.370 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -8.800 2.242 12.083 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -9.381 1.675 15.054 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -9.675 0.480 13.769 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -8.640 0.061 15.155 1.00 0.00 H new ATOM 985 N VAL A 67 -8.578 -1.566 12.286 1.00 0.00 N ATOM 986 CA VAL A 67 -9.570 -2.253 11.470 1.00 0.00 C ATOM 987 C VAL A 67 -10.956 -1.656 11.714 1.00 0.00 C ATOM 988 O VAL A 67 -11.289 -1.282 12.839 1.00 0.00 O ATOM 989 CB VAL A 67 -9.609 -3.772 11.768 1.00 0.00 C ATOM 990 CG1 VAL A 67 -10.334 -4.522 10.660 1.00 0.00 C ATOM 991 CG2 VAL A 67 -8.203 -4.327 11.954 1.00 0.00 C ATOM 0 H VAL A 67 -8.297 -2.074 13.125 1.00 0.00 H new ATOM 0 HA VAL A 67 -9.283 -2.117 10.427 1.00 0.00 H new ATOM 0 HB VAL A 67 -10.159 -3.916 12.698 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -10.349 -5.587 10.891 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -11.357 -4.154 10.580 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -9.816 -4.363 9.714 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -8.258 -5.396 12.162 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -7.624 -4.164 11.045 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -7.719 -3.819 12.788 1.00 0.00 H new ATOM 1001 N SER A 68 -11.749 -1.553 10.660 1.00 0.00 N ATOM 1002 CA SER A 68 -13.092 -1.005 10.764 1.00 0.00 C ATOM 1003 C SER A 68 -14.124 -2.109 10.534 1.00 0.00 C ATOM 1004 O SER A 68 -13.798 -3.293 10.630 1.00 0.00 O ATOM 1005 CB SER A 68 -13.268 0.128 9.751 1.00 0.00 C ATOM 1006 OG SER A 68 -12.160 1.014 9.792 1.00 0.00 O ATOM 0 H SER A 68 -11.485 -1.843 9.719 1.00 0.00 H new ATOM 0 HA SER A 68 -13.243 -0.599 11.764 1.00 0.00 H new ATOM 0 HB2 SER A 68 -13.371 -0.287 8.748 1.00 0.00 H new ATOM 0 HB3 SER A 68 -14.186 0.675 9.966 1.00 0.00 H new ATOM 0 HG SER A 68 -12.290 1.731 9.136 1.00 0.00 H new ATOM 1012 N GLY A 69 -15.359 -1.727 10.235 1.00 0.00 N ATOM 1013 CA GLY A 69 -16.403 -2.708 10.005 1.00 0.00 C ATOM 1014 C GLY A 69 -16.728 -2.861 8.534 1.00 0.00 C ATOM 1015 O GLY A 69 -16.417 -1.976 7.730 1.00 0.00 O ATOM 0 H GLY A 69 -15.657 -0.755 10.148 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -16.090 -3.671 10.409 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -17.302 -2.413 10.546 1.00 0.00 H new ATOM 1019 N GLN A 70 -17.341 -3.981 8.175 1.00 0.00 N ATOM 1020 CA GLN A 70 -17.710 -4.234 6.789 1.00 0.00 C ATOM 1021 C GLN A 70 -18.920 -3.391 6.397 1.00 0.00 C ATOM 1022 O GLN A 70 -19.886 -3.275 7.153 1.00 0.00 O ATOM 1023 CB GLN A 70 -17.987 -5.725 6.552 1.00 0.00 C ATOM 1024 CG GLN A 70 -19.080 -6.314 7.432 1.00 0.00 C ATOM 1025 CD GLN A 70 -19.325 -7.783 7.144 1.00 0.00 C ATOM 1026 OE1 GLN A 70 -20.141 -8.135 6.291 1.00 0.00 O ATOM 1027 NE2 GLN A 70 -18.626 -8.651 7.857 1.00 0.00 N ATOM 0 H GLN A 70 -17.593 -4.727 8.823 1.00 0.00 H new ATOM 0 HA GLN A 70 -16.869 -3.948 6.158 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -18.263 -5.868 5.507 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -17.065 -6.283 6.717 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -18.804 -6.193 8.480 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -20.005 -5.757 7.280 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -17.960 -8.319 8.554 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -18.753 -9.652 7.709 1.00 0.00 H new ATOM 1036 N TYR A 71 -18.854 -2.790 5.221 1.00 0.00 N ATOM 1037 CA TYR A 71 -19.932 -1.945 4.730 1.00 0.00 C ATOM 1038 C TYR A 71 -20.349 -2.364 3.328 1.00 0.00 C ATOM 1039 O TYR A 71 -19.767 -3.279 2.749 1.00 0.00 O ATOM 1040 CB TYR A 71 -19.490 -0.477 4.726 1.00 0.00 C ATOM 1041 CG TYR A 71 -18.160 -0.229 4.032 1.00 0.00 C ATOM 1042 CD1 TYR A 71 -17.970 -0.553 2.691 1.00 0.00 C ATOM 1043 CD2 TYR A 71 -17.096 0.335 4.722 1.00 0.00 C ATOM 1044 CE1 TYR A 71 -16.764 -0.323 2.064 1.00 0.00 C ATOM 1045 CE2 TYR A 71 -15.886 0.570 4.098 1.00 0.00 C ATOM 1046 CZ TYR A 71 -15.726 0.238 2.769 1.00 0.00 C ATOM 1047 OH TYR A 71 -14.524 0.475 2.141 1.00 0.00 O ATOM 0 H TYR A 71 -18.061 -2.872 4.585 1.00 0.00 H new ATOM 0 HA TYR A 71 -20.788 -2.060 5.395 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -20.259 0.121 4.237 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -19.421 -0.127 5.756 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -18.783 -0.993 2.132 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -17.216 0.594 5.764 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -16.635 -0.582 1.024 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -15.069 1.012 4.649 1.00 0.00 H new ATOM 0 HH TYR A 71 -13.789 0.308 2.767 1.00 0.00 H new ATOM 1057 N ARG A 72 -21.338 -1.676 2.779 1.00 0.00 N ATOM 1058 CA ARG A 72 -21.820 -1.967 1.438 1.00 0.00 C ATOM 1059 C ARG A 72 -21.059 -1.134 0.414 1.00 0.00 C ATOM 1060 O ARG A 72 -21.384 0.029 0.189 1.00 0.00 O ATOM 1061 CB ARG A 72 -23.310 -1.660 1.336 1.00 0.00 C ATOM 1062 CG ARG A 72 -24.169 -2.423 2.323 1.00 0.00 C ATOM 1063 CD ARG A 72 -25.590 -1.894 2.327 1.00 0.00 C ATOM 1064 NE ARG A 72 -26.380 -2.482 3.400 1.00 0.00 N ATOM 1065 CZ ARG A 72 -26.457 -1.976 4.629 1.00 0.00 C ATOM 1066 NH1 ARG A 72 -25.769 -0.883 4.954 1.00 0.00 N ATOM 1067 NH2 ARG A 72 -27.211 -2.575 5.539 1.00 0.00 N ATOM 0 H ARG A 72 -21.824 -0.909 3.244 1.00 0.00 H new ATOM 0 HA ARG A 72 -21.657 -3.025 1.234 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -23.461 -0.592 1.490 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -23.648 -1.887 0.325 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -24.172 -3.482 2.066 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -23.743 -2.339 3.323 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -25.575 -0.810 2.438 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -26.061 -2.109 1.368 1.00 0.00 H new ATOM 0 HE ARG A 72 -26.906 -3.332 3.198 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -25.178 -0.427 4.259 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -25.834 -0.502 5.898 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -27.729 -3.420 5.296 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -27.274 -2.192 6.482 1.00 0.00 H new ATOM 1081 N MET A 73 -20.036 -1.719 -0.190 1.00 0.00 N ATOM 1082 CA MET A 73 -19.238 -1.016 -1.186 1.00 0.00 C ATOM 1083 C MET A 73 -19.994 -0.933 -2.506 1.00 0.00 C ATOM 1084 O MET A 73 -20.516 -1.935 -2.990 1.00 0.00 O ATOM 1085 CB MET A 73 -17.888 -1.708 -1.388 1.00 0.00 C ATOM 1086 CG MET A 73 -16.945 -0.943 -2.304 1.00 0.00 C ATOM 1087 SD MET A 73 -16.695 0.764 -1.775 1.00 0.00 S ATOM 1088 CE MET A 73 -15.721 1.396 -3.141 1.00 0.00 C ATOM 0 H MET A 73 -19.738 -2.678 -0.009 1.00 0.00 H new ATOM 0 HA MET A 73 -19.052 -0.005 -0.824 1.00 0.00 H new ATOM 0 HB2 MET A 73 -17.409 -1.843 -0.418 1.00 0.00 H new ATOM 0 HB3 MET A 73 -18.057 -2.702 -1.802 1.00 0.00 H new ATOM 0 HG2 MET A 73 -15.983 -1.454 -2.337 1.00 0.00 H new ATOM 0 HG3 MET A 73 -17.344 -0.950 -3.318 1.00 0.00 H new ATOM 0 HE1 MET A 73 -15.484 2.445 -2.964 1.00 0.00 H new ATOM 0 HE2 MET A 73 -14.797 0.824 -3.224 1.00 0.00 H new ATOM 0 HE3 MET A 73 -16.289 1.304 -4.066 1.00 0.00 H new ATOM 1098 N LEU A 74 -20.041 0.261 -3.080 1.00 0.00 N ATOM 1099 CA LEU A 74 -20.749 0.480 -4.331 1.00 0.00 C ATOM 1100 C LEU A 74 -19.940 -0.025 -5.519 1.00 0.00 C ATOM 1101 O LEU A 74 -18.833 0.446 -5.780 1.00 0.00 O ATOM 1102 CB LEU A 74 -21.071 1.969 -4.504 1.00 0.00 C ATOM 1103 CG LEU A 74 -21.919 2.322 -5.730 1.00 0.00 C ATOM 1104 CD1 LEU A 74 -23.251 1.589 -5.691 1.00 0.00 C ATOM 1105 CD2 LEU A 74 -22.138 3.828 -5.807 1.00 0.00 C ATOM 0 H LEU A 74 -19.595 1.095 -2.697 1.00 0.00 H new ATOM 0 HA LEU A 74 -21.681 -0.084 -4.294 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -21.592 2.316 -3.612 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -20.133 2.521 -4.561 1.00 0.00 H new ATOM 0 HG LEU A 74 -21.382 2.004 -6.624 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -23.838 1.854 -6.571 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -23.074 0.513 -5.683 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -23.797 1.874 -4.792 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -22.742 4.063 -6.683 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -22.654 4.167 -4.909 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -21.175 4.332 -5.884 1.00 0.00 H new ATOM 1117 N ALA A 75 -20.498 -1.003 -6.214 1.00 0.00 N ATOM 1118 CA ALA A 75 -19.865 -1.578 -7.388 1.00 0.00 C ATOM 1119 C ALA A 75 -20.276 -0.808 -8.638 1.00 0.00 C ATOM 1120 O ALA A 75 -21.187 0.020 -8.587 1.00 0.00 O ATOM 1121 CB ALA A 75 -20.235 -3.047 -7.518 1.00 0.00 C ATOM 0 H ALA A 75 -21.400 -1.419 -5.981 1.00 0.00 H new ATOM 0 HA ALA A 75 -18.783 -1.504 -7.277 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -19.754 -3.466 -8.402 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -19.900 -3.586 -6.632 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -21.317 -3.143 -7.613 1.00 0.00 H new ATOM 1127 N LYS A 76 -19.630 -1.100 -9.764 1.00 0.00 N ATOM 1128 CA LYS A 76 -19.925 -0.410 -11.020 1.00 0.00 C ATOM 1129 C LYS A 76 -21.366 -0.659 -11.470 1.00 0.00 C ATOM 1130 O LYS A 76 -22.002 0.210 -12.060 1.00 0.00 O ATOM 1131 CB LYS A 76 -18.950 -0.848 -12.119 1.00 0.00 C ATOM 1132 CG LYS A 76 -19.002 0.034 -13.362 1.00 0.00 C ATOM 1133 CD LYS A 76 -18.043 -0.435 -14.446 1.00 0.00 C ATOM 1134 CE LYS A 76 -18.444 -1.792 -14.995 1.00 0.00 C ATOM 1135 NZ LYS A 76 -17.891 -2.032 -16.353 1.00 0.00 N ATOM 0 H LYS A 76 -18.900 -1.808 -9.834 1.00 0.00 H new ATOM 0 HA LYS A 76 -19.804 0.659 -10.843 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -17.936 -0.840 -11.719 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -19.173 -1.877 -12.403 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -20.018 0.041 -13.757 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -18.761 1.061 -13.086 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -18.023 0.295 -15.256 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -17.033 -0.490 -14.041 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -18.096 -2.573 -14.319 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -19.531 -1.862 -15.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -18.190 -2.970 -16.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -18.243 -1.302 -17.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -16.852 -1.992 -16.317 1.00 0.00 H new ATOM 1149 N HIS A 77 -21.888 -1.839 -11.165 1.00 0.00 N ATOM 1150 CA HIS A 77 -23.253 -2.192 -11.559 1.00 0.00 C ATOM 1151 C HIS A 77 -24.281 -1.707 -10.539 1.00 0.00 C ATOM 1152 O HIS A 77 -25.436 -2.128 -10.568 1.00 0.00 O ATOM 1153 CB HIS A 77 -23.395 -3.707 -11.778 1.00 0.00 C ATOM 1154 CG HIS A 77 -22.960 -4.557 -10.620 1.00 0.00 C ATOM 1155 ND1 HIS A 77 -21.741 -5.048 -10.290 1.00 0.00 N flip ATOM 1156 CD2 HIS A 77 -23.828 -5.014 -9.653 1.00 0.00 C flip ATOM 1157 CE1 HIS A 77 -21.899 -5.780 -9.142 1.00 0.00 C flip ATOM 1158 NE2 HIS A 77 -23.164 -5.747 -8.777 1.00 0.00 N flip ATOM 0 H HIS A 77 -21.394 -2.567 -10.649 1.00 0.00 H new ATOM 0 HA HIS A 77 -23.451 -1.685 -12.503 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -24.438 -3.931 -12.002 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -22.813 -3.989 -12.655 1.00 0.00 H new ATOM 0 HD1 HIS A 77 -20.870 -4.901 -10.800 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -24.887 -4.805 -9.617 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -21.111 -6.301 -8.619 1.00 0.00 H new ATOM 1167 N GLY A 78 -23.860 -0.826 -9.639 1.00 0.00 N ATOM 1168 CA GLY A 78 -24.767 -0.298 -8.634 1.00 0.00 C ATOM 1169 C GLY A 78 -25.039 -1.290 -7.521 1.00 0.00 C ATOM 1170 O GLY A 78 -25.997 -1.140 -6.760 1.00 0.00 O ATOM 0 H GLY A 78 -22.907 -0.467 -9.586 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -24.344 0.613 -8.210 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -25.709 -0.021 -9.108 1.00 0.00 H new ATOM 1174 N GLY A 79 -24.200 -2.308 -7.429 1.00 0.00 N ATOM 1175 CA GLY A 79 -24.363 -3.311 -6.399 1.00 0.00 C ATOM 1176 C GLY A 79 -23.610 -2.938 -5.145 1.00 0.00 C ATOM 1177 O GLY A 79 -22.719 -2.095 -5.194 1.00 0.00 O ATOM 0 H GLY A 79 -23.406 -2.458 -8.051 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -25.422 -3.429 -6.168 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -24.007 -4.274 -6.766 1.00 0.00 H new ATOM 1181 N TYR A 80 -23.959 -3.556 -4.028 1.00 0.00 N ATOM 1182 CA TYR A 80 -23.298 -3.264 -2.762 1.00 0.00 C ATOM 1183 C TYR A 80 -22.628 -4.508 -2.193 1.00 0.00 C ATOM 1184 O TYR A 80 -23.295 -5.405 -1.690 1.00 0.00 O ATOM 1185 CB TYR A 80 -24.306 -2.706 -1.756 1.00 0.00 C ATOM 1186 CG TYR A 80 -24.823 -1.331 -2.111 1.00 0.00 C ATOM 1187 CD1 TYR A 80 -24.058 -0.197 -1.870 1.00 0.00 C ATOM 1188 CD2 TYR A 80 -26.076 -1.168 -2.688 1.00 0.00 C ATOM 1189 CE1 TYR A 80 -24.527 1.061 -2.194 1.00 0.00 C ATOM 1190 CE2 TYR A 80 -26.550 0.086 -3.016 1.00 0.00 C ATOM 1191 CZ TYR A 80 -25.773 1.195 -2.766 1.00 0.00 C ATOM 1192 OH TYR A 80 -26.244 2.442 -3.091 1.00 0.00 O ATOM 0 H TYR A 80 -24.694 -4.261 -3.970 1.00 0.00 H new ATOM 0 HA TYR A 80 -22.527 -2.516 -2.949 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -25.149 -3.393 -1.681 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -23.839 -2.666 -0.772 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -23.081 -0.301 -1.422 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -26.689 -2.036 -2.883 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -23.921 1.934 -2.000 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -27.525 0.197 -3.466 1.00 0.00 H new ATOM 0 HH TYR A 80 -27.137 2.362 -3.486 1.00 0.00 H new ATOM 1202 N VAL A 81 -21.310 -4.562 -2.280 1.00 0.00 N ATOM 1203 CA VAL A 81 -20.562 -5.702 -1.769 1.00 0.00 C ATOM 1204 C VAL A 81 -20.072 -5.408 -0.354 1.00 0.00 C ATOM 1205 O VAL A 81 -19.524 -4.336 -0.098 1.00 0.00 O ATOM 1206 CB VAL A 81 -19.353 -6.042 -2.670 1.00 0.00 C ATOM 1207 CG1 VAL A 81 -19.003 -7.518 -2.560 1.00 0.00 C ATOM 1208 CG2 VAL A 81 -19.626 -5.660 -4.119 1.00 0.00 C ATOM 0 H VAL A 81 -20.735 -3.831 -2.699 1.00 0.00 H new ATOM 0 HA VAL A 81 -21.233 -6.561 -1.761 1.00 0.00 H new ATOM 0 HB VAL A 81 -18.499 -5.459 -2.324 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -18.150 -7.738 -3.201 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -18.751 -7.756 -1.527 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -19.857 -8.119 -2.873 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -18.759 -5.910 -4.731 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -20.496 -6.207 -4.482 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -19.818 -4.589 -4.183 1.00 0.00 H new ATOM 1218 N TRP A 82 -20.274 -6.346 0.563 1.00 0.00 N ATOM 1219 CA TRP A 82 -19.850 -6.153 1.948 1.00 0.00 C ATOM 1220 C TRP A 82 -18.333 -6.277 2.082 1.00 0.00 C ATOM 1221 O TRP A 82 -17.776 -7.380 2.053 1.00 0.00 O ATOM 1222 CB TRP A 82 -20.552 -7.141 2.875 1.00 0.00 C ATOM 1223 CG TRP A 82 -21.999 -6.824 3.091 1.00 0.00 C ATOM 1224 CD1 TRP A 82 -23.053 -7.233 2.327 1.00 0.00 C ATOM 1225 CD2 TRP A 82 -22.550 -6.027 4.144 1.00 0.00 C ATOM 1226 NE1 TRP A 82 -24.227 -6.741 2.842 1.00 0.00 N ATOM 1227 CE2 TRP A 82 -23.944 -5.995 3.957 1.00 0.00 C ATOM 1228 CE3 TRP A 82 -22.000 -5.335 5.227 1.00 0.00 C ATOM 1229 CZ2 TRP A 82 -24.793 -5.301 4.814 1.00 0.00 C ATOM 1230 CZ3 TRP A 82 -22.844 -4.647 6.076 1.00 0.00 C ATOM 1231 CH2 TRP A 82 -24.228 -4.634 5.864 1.00 0.00 C ATOM 0 H TRP A 82 -20.725 -7.242 0.377 1.00 0.00 H new ATOM 0 HA TRP A 82 -20.135 -5.143 2.244 1.00 0.00 H new ATOM 0 HB2 TRP A 82 -20.465 -8.144 2.458 1.00 0.00 H new ATOM 0 HB3 TRP A 82 -20.042 -7.151 3.838 1.00 0.00 H new ATOM 0 HD1 TRP A 82 -22.975 -7.853 1.446 1.00 0.00 H new ATOM 0 HE1 TRP A 82 -25.158 -6.904 2.458 1.00 0.00 H new ATOM 0 HE3 TRP A 82 -20.933 -5.338 5.397 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 -25.861 -5.290 4.655 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 -22.430 -4.110 6.917 1.00 0.00 H new ATOM 0 HH2 TRP A 82 -24.862 -4.085 6.545 1.00 0.00 H new ATOM 1242 N LEU A 83 -17.679 -5.132 2.229 1.00 0.00 N ATOM 1243 CA LEU A 83 -16.228 -5.067 2.346 1.00 0.00 C ATOM 1244 C LEU A 83 -15.808 -4.480 3.690 1.00 0.00 C ATOM 1245 O LEU A 83 -16.330 -3.446 4.114 1.00 0.00 O ATOM 1246 CB LEU A 83 -15.659 -4.197 1.222 1.00 0.00 C ATOM 1247 CG LEU A 83 -15.273 -4.924 -0.070 1.00 0.00 C ATOM 1248 CD1 LEU A 83 -16.469 -5.625 -0.686 1.00 0.00 C ATOM 1249 CD2 LEU A 83 -14.675 -3.943 -1.063 1.00 0.00 C ATOM 0 H LEU A 83 -18.139 -4.223 2.270 1.00 0.00 H new ATOM 0 HA LEU A 83 -15.838 -6.082 2.272 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -16.394 -3.431 0.977 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -14.777 -3.682 1.601 1.00 0.00 H new ATOM 0 HG LEU A 83 -14.530 -5.681 0.179 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -16.162 -6.131 -1.601 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -16.865 -6.357 0.019 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -17.241 -4.891 -0.919 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -14.404 -4.471 -1.978 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -15.406 -3.168 -1.294 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -13.785 -3.485 -0.631 1.00 0.00 H new ATOM 1261 N GLU A 84 -14.878 -5.147 4.358 1.00 0.00 N ATOM 1262 CA GLU A 84 -14.367 -4.681 5.640 1.00 0.00 C ATOM 1263 C GLU A 84 -13.007 -4.027 5.426 1.00 0.00 C ATOM 1264 O GLU A 84 -12.059 -4.680 4.996 1.00 0.00 O ATOM 1265 CB GLU A 84 -14.255 -5.839 6.634 1.00 0.00 C ATOM 1266 CG GLU A 84 -13.960 -5.391 8.055 1.00 0.00 C ATOM 1267 CD GLU A 84 -13.966 -6.536 9.044 1.00 0.00 C ATOM 1268 OE1 GLU A 84 -13.023 -7.345 9.024 1.00 0.00 O ATOM 1269 OE2 GLU A 84 -14.915 -6.627 9.854 1.00 0.00 O ATOM 0 H GLU A 84 -14.459 -6.018 4.031 1.00 0.00 H new ATOM 0 HA GLU A 84 -15.060 -3.951 6.058 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -15.186 -6.406 6.626 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -13.467 -6.516 6.304 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -12.988 -4.899 8.082 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -14.700 -4.651 8.359 1.00 0.00 H new ATOM 1276 N THR A 85 -12.915 -2.743 5.718 1.00 0.00 N ATOM 1277 CA THR A 85 -11.678 -2.008 5.505 1.00 0.00 C ATOM 1278 C THR A 85 -10.814 -1.895 6.760 1.00 0.00 C ATOM 1279 O THR A 85 -11.288 -1.538 7.839 1.00 0.00 O ATOM 1280 CB THR A 85 -11.982 -0.596 4.981 1.00 0.00 C ATOM 1281 OG1 THR A 85 -13.020 -0.669 4.002 1.00 0.00 O ATOM 1282 CG2 THR A 85 -10.746 0.042 4.366 1.00 0.00 C ATOM 0 H THR A 85 -13.679 -2.187 6.102 1.00 0.00 H new ATOM 0 HA THR A 85 -11.112 -2.580 4.770 1.00 0.00 H new ATOM 0 HB THR A 85 -12.301 0.022 5.821 1.00 0.00 H new ATOM 0 HG1 THR A 85 -13.027 -1.562 3.599 1.00 0.00 H new ATOM 0 HG21 THR A 85 -10.993 1.040 4.005 1.00 0.00 H new ATOM 0 HG22 THR A 85 -9.961 0.113 5.118 1.00 0.00 H new ATOM 0 HG23 THR A 85 -10.397 -0.569 3.534 1.00 0.00 H new ATOM 1290 N GLN A 86 -9.539 -2.217 6.598 1.00 0.00 N ATOM 1291 CA GLN A 86 -8.566 -2.115 7.669 1.00 0.00 C ATOM 1292 C GLN A 86 -7.640 -0.945 7.379 1.00 0.00 C ATOM 1293 O GLN A 86 -6.849 -0.991 6.432 1.00 0.00 O ATOM 1294 CB GLN A 86 -7.748 -3.399 7.793 1.00 0.00 C ATOM 1295 CG GLN A 86 -6.655 -3.322 8.848 1.00 0.00 C ATOM 1296 CD GLN A 86 -5.580 -4.371 8.648 1.00 0.00 C ATOM 1297 OE1 GLN A 86 -4.540 -4.019 7.910 1.00 0.00 O flip ATOM 1298 NE2 GLN A 86 -5.679 -5.486 9.160 1.00 0.00 N flip ATOM 0 H GLN A 86 -9.152 -2.557 5.718 1.00 0.00 H new ATOM 0 HA GLN A 86 -9.092 -1.958 8.611 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -8.417 -4.225 8.034 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -7.295 -3.627 6.828 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -6.200 -2.332 8.824 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -7.099 -3.445 9.836 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -6.498 -5.718 9.723 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -4.942 -6.178 9.022 1.00 0.00 H new ATOM 1307 N GLY A 87 -7.749 0.102 8.174 1.00 0.00 N ATOM 1308 CA GLY A 87 -6.920 1.265 7.971 1.00 0.00 C ATOM 1309 C GLY A 87 -5.492 1.027 8.401 1.00 0.00 C ATOM 1310 O GLY A 87 -5.242 0.532 9.494 1.00 0.00 O ATOM 0 H GLY A 87 -8.398 0.168 8.958 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -6.939 1.544 6.917 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -7.331 2.105 8.531 1.00 0.00 H new ATOM 1314 N THR A 88 -4.560 1.339 7.521 1.00 0.00 N ATOM 1315 CA THR A 88 -3.144 1.183 7.804 1.00 0.00 C ATOM 1316 C THR A 88 -2.397 2.406 7.280 1.00 0.00 C ATOM 1317 O THR A 88 -1.651 2.335 6.304 1.00 0.00 O ATOM 1318 CB THR A 88 -2.580 -0.102 7.162 1.00 0.00 C ATOM 1319 OG1 THR A 88 -3.596 -1.117 7.147 1.00 0.00 O ATOM 1320 CG2 THR A 88 -1.369 -0.608 7.933 1.00 0.00 C ATOM 0 H THR A 88 -4.761 1.707 6.591 1.00 0.00 H new ATOM 0 HA THR A 88 -3.009 1.097 8.882 1.00 0.00 H new ATOM 0 HB THR A 88 -2.270 0.129 6.143 1.00 0.00 H new ATOM 0 HG1 THR A 88 -3.369 -1.797 6.479 1.00 0.00 H new ATOM 0 HG21 THR A 88 -0.990 -1.514 7.461 1.00 0.00 H new ATOM 0 HG22 THR A 88 -0.591 0.155 7.930 1.00 0.00 H new ATOM 0 HG23 THR A 88 -1.658 -0.828 8.961 1.00 0.00 H new ATOM 1328 N VAL A 89 -2.636 3.537 7.925 1.00 0.00 N ATOM 1329 CA VAL A 89 -2.025 4.794 7.530 1.00 0.00 C ATOM 1330 C VAL A 89 -0.607 4.931 8.069 1.00 0.00 C ATOM 1331 O VAL A 89 -0.385 4.926 9.280 1.00 0.00 O ATOM 1332 CB VAL A 89 -2.858 5.994 8.020 1.00 0.00 C ATOM 1333 CG1 VAL A 89 -2.278 7.302 7.508 1.00 0.00 C ATOM 1334 CG2 VAL A 89 -4.308 5.849 7.595 1.00 0.00 C ATOM 0 H VAL A 89 -3.255 3.609 8.732 1.00 0.00 H new ATOM 0 HA VAL A 89 -1.990 4.790 6.441 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.820 6.010 9.109 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -2.884 8.134 7.867 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.256 7.414 7.871 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.278 7.298 6.418 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -4.879 6.707 7.951 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -4.365 5.801 6.508 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -4.722 4.935 8.021 1.00 0.00 H new ATOM 1344 N ILE A 90 0.346 5.048 7.157 1.00 0.00 N ATOM 1345 CA ILE A 90 1.738 5.220 7.521 1.00 0.00 C ATOM 1346 C ILE A 90 2.033 6.710 7.637 1.00 0.00 C ATOM 1347 O ILE A 90 1.707 7.491 6.733 1.00 0.00 O ATOM 1348 CB ILE A 90 2.693 4.577 6.486 1.00 0.00 C ATOM 1349 CG1 ILE A 90 2.407 3.080 6.337 1.00 0.00 C ATOM 1350 CG2 ILE A 90 4.145 4.794 6.889 1.00 0.00 C ATOM 1351 CD1 ILE A 90 1.461 2.749 5.201 1.00 0.00 C ATOM 0 H ILE A 90 0.175 5.026 6.152 1.00 0.00 H new ATOM 0 HA ILE A 90 1.908 4.718 8.474 1.00 0.00 H new ATOM 0 HB ILE A 90 2.520 5.060 5.524 1.00 0.00 H new ATOM 0 HG12 ILE A 90 3.348 2.554 6.179 1.00 0.00 H new ATOM 0 HG13 ILE A 90 1.985 2.705 7.270 1.00 0.00 H new ATOM 0 HG21 ILE A 90 4.800 4.335 6.149 1.00 0.00 H new ATOM 0 HG22 ILE A 90 4.352 5.863 6.943 1.00 0.00 H new ATOM 0 HG23 ILE A 90 4.324 4.340 7.864 1.00 0.00 H new ATOM 0 HD11 ILE A 90 1.307 1.671 5.158 1.00 0.00 H new ATOM 0 HD12 ILE A 90 0.505 3.246 5.367 1.00 0.00 H new ATOM 0 HD13 ILE A 90 1.889 3.092 4.259 1.00 0.00 H new ATOM 1363 N TYR A 91 2.618 7.106 8.752 1.00 0.00 N ATOM 1364 CA TYR A 91 2.930 8.504 8.983 1.00 0.00 C ATOM 1365 C TYR A 91 4.290 8.868 8.402 1.00 0.00 C ATOM 1366 O TYR A 91 5.232 8.074 8.438 1.00 0.00 O ATOM 1367 CB TYR A 91 2.890 8.821 10.479 1.00 0.00 C ATOM 1368 CG TYR A 91 1.497 9.106 11.003 1.00 0.00 C ATOM 1369 CD1 TYR A 91 0.642 8.072 11.363 1.00 0.00 C ATOM 1370 CD2 TYR A 91 1.040 10.411 11.140 1.00 0.00 C ATOM 1371 CE1 TYR A 91 -0.628 8.330 11.846 1.00 0.00 C ATOM 1372 CE2 TYR A 91 -0.229 10.677 11.622 1.00 0.00 C ATOM 1373 CZ TYR A 91 -1.058 9.633 11.974 1.00 0.00 C ATOM 1374 OH TYR A 91 -2.324 9.894 12.458 1.00 0.00 O ATOM 0 H TYR A 91 2.886 6.480 9.511 1.00 0.00 H new ATOM 0 HA TYR A 91 2.174 9.104 8.476 1.00 0.00 H new ATOM 0 HB2 TYR A 91 3.312 7.981 11.031 1.00 0.00 H new ATOM 0 HB3 TYR A 91 3.527 9.684 10.676 1.00 0.00 H new ATOM 0 HD1 TYR A 91 0.975 7.049 11.264 1.00 0.00 H new ATOM 0 HD2 TYR A 91 1.686 11.231 10.866 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -1.280 7.514 12.122 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -0.569 11.697 11.722 1.00 0.00 H new ATOM 0 HH TYR A 91 -2.878 10.265 11.740 1.00 0.00 H new ATOM 1384 N ASN A 92 4.365 10.068 7.847 1.00 0.00 N ATOM 1385 CA ASN A 92 5.593 10.587 7.258 1.00 0.00 C ATOM 1386 C ASN A 92 6.638 10.818 8.348 1.00 0.00 C ATOM 1387 O ASN A 92 6.376 11.515 9.327 1.00 0.00 O ATOM 1388 CB ASN A 92 5.287 11.889 6.513 1.00 0.00 C ATOM 1389 CG ASN A 92 6.528 12.643 6.077 1.00 0.00 C ATOM 1390 OD1 ASN A 92 7.000 13.531 6.782 1.00 0.00 O ATOM 1391 ND2 ASN A 92 7.059 12.296 4.917 1.00 0.00 N ATOM 0 H ASN A 92 3.576 10.712 7.792 1.00 0.00 H new ATOM 0 HA ASN A 92 5.995 9.863 6.550 1.00 0.00 H new ATOM 0 HB2 ASN A 92 4.682 11.662 5.635 1.00 0.00 H new ATOM 0 HB3 ASN A 92 4.687 12.533 7.156 1.00 0.00 H new ATOM 0 HD21 ASN A 92 7.894 12.772 4.576 1.00 0.00 H new ATOM 0 HD22 ASN A 92 6.634 11.552 4.364 1.00 0.00 H new ATOM 1398 N PRO A 93 7.837 10.245 8.185 1.00 0.00 N ATOM 1399 CA PRO A 93 8.919 10.350 9.175 1.00 0.00 C ATOM 1400 C PRO A 93 9.740 11.637 9.073 1.00 0.00 C ATOM 1401 O PRO A 93 10.762 11.784 9.745 1.00 0.00 O ATOM 1402 CB PRO A 93 9.787 9.143 8.831 1.00 0.00 C ATOM 1403 CG PRO A 93 9.634 8.977 7.357 1.00 0.00 C ATOM 1404 CD PRO A 93 8.238 9.436 7.019 1.00 0.00 C ATOM 0 HA PRO A 93 8.529 10.372 10.193 1.00 0.00 H new ATOM 0 HB2 PRO A 93 10.828 9.313 9.105 1.00 0.00 H new ATOM 0 HB3 PRO A 93 9.458 8.253 9.366 1.00 0.00 H new ATOM 0 HG2 PRO A 93 10.377 9.567 6.821 1.00 0.00 H new ATOM 0 HG3 PRO A 93 9.782 7.937 7.066 1.00 0.00 H new ATOM 0 HD2 PRO A 93 8.222 10.023 6.101 1.00 0.00 H new ATOM 0 HD3 PRO A 93 7.565 8.592 6.869 1.00 0.00 H new ATOM 1412 N ARG A 94 9.305 12.566 8.240 1.00 0.00 N ATOM 1413 CA ARG A 94 10.029 13.821 8.074 1.00 0.00 C ATOM 1414 C ARG A 94 9.363 14.951 8.852 1.00 0.00 C ATOM 1415 O ARG A 94 10.015 15.645 9.633 1.00 0.00 O ATOM 1416 CB ARG A 94 10.122 14.193 6.596 1.00 0.00 C ATOM 1417 CG ARG A 94 10.848 13.164 5.746 1.00 0.00 C ATOM 1418 CD ARG A 94 12.352 13.239 5.936 1.00 0.00 C ATOM 1419 NE ARG A 94 13.070 12.813 4.735 1.00 0.00 N ATOM 1420 CZ ARG A 94 14.086 13.490 4.197 1.00 0.00 C ATOM 1421 NH1 ARG A 94 14.541 14.594 4.776 1.00 0.00 N ATOM 1422 NH2 ARG A 94 14.656 13.060 3.082 1.00 0.00 N ATOM 0 H ARG A 94 8.463 12.480 7.671 1.00 0.00 H new ATOM 0 HA ARG A 94 11.034 13.678 8.470 1.00 0.00 H new ATOM 0 HB2 ARG A 94 9.115 14.330 6.202 1.00 0.00 H new ATOM 0 HB3 ARG A 94 10.633 15.151 6.504 1.00 0.00 H new ATOM 0 HG2 ARG A 94 10.498 12.165 6.006 1.00 0.00 H new ATOM 0 HG3 ARG A 94 10.606 13.324 4.695 1.00 0.00 H new ATOM 0 HD2 ARG A 94 12.637 14.261 6.187 1.00 0.00 H new ATOM 0 HD3 ARG A 94 12.645 12.611 6.777 1.00 0.00 H new ATOM 0 HE ARG A 94 12.777 11.947 4.282 1.00 0.00 H new ATOM 0 HH11 ARG A 94 14.114 14.931 5.639 1.00 0.00 H new ATOM 0 HH12 ARG A 94 15.318 15.106 4.358 1.00 0.00 H new ATOM 0 HH21 ARG A 94 14.319 12.209 2.632 1.00 0.00 H new ATOM 0 HH22 ARG A 94 15.433 13.580 2.673 1.00 0.00 H new ATOM 1436 N ASN A 95 8.070 15.137 8.636 1.00 0.00 N ATOM 1437 CA ASN A 95 7.323 16.196 9.309 1.00 0.00 C ATOM 1438 C ASN A 95 6.235 15.621 10.214 1.00 0.00 C ATOM 1439 O ASN A 95 5.616 16.350 10.992 1.00 0.00 O ATOM 1440 CB ASN A 95 6.703 17.133 8.267 1.00 0.00 C ATOM 1441 CG ASN A 95 6.119 18.391 8.880 1.00 0.00 C ATOM 1442 OD1 ASN A 95 4.924 18.464 9.161 1.00 0.00 O ATOM 1443 ND2 ASN A 95 6.960 19.384 9.100 1.00 0.00 N ATOM 0 H ASN A 95 7.512 14.568 7.999 1.00 0.00 H new ATOM 0 HA ASN A 95 8.016 16.757 9.937 1.00 0.00 H new ATOM 0 HB2 ASN A 95 7.463 17.410 7.536 1.00 0.00 H new ATOM 0 HB3 ASN A 95 5.920 16.601 7.727 1.00 0.00 H new ATOM 0 HD21 ASN A 95 6.626 20.252 9.518 1.00 0.00 H new ATOM 0 HD22 ASN A 95 7.944 19.283 8.852 1.00 0.00 H new ATOM 1450 N LEU A 96 6.027 14.308 10.116 1.00 0.00 N ATOM 1451 CA LEU A 96 5.014 13.601 10.904 1.00 0.00 C ATOM 1452 C LEU A 96 3.602 13.987 10.465 1.00 0.00 C ATOM 1453 O LEU A 96 2.950 14.839 11.072 1.00 0.00 O ATOM 1454 CB LEU A 96 5.200 13.840 12.410 1.00 0.00 C ATOM 1455 CG LEU A 96 6.116 12.839 13.122 1.00 0.00 C ATOM 1456 CD1 LEU A 96 5.659 11.413 12.859 1.00 0.00 C ATOM 1457 CD2 LEU A 96 7.560 13.025 12.680 1.00 0.00 C ATOM 0 H LEU A 96 6.556 13.703 9.488 1.00 0.00 H new ATOM 0 HA LEU A 96 5.147 12.535 10.718 1.00 0.00 H new ATOM 0 HB2 LEU A 96 5.602 14.843 12.555 1.00 0.00 H new ATOM 0 HB3 LEU A 96 4.221 13.816 12.889 1.00 0.00 H new ATOM 0 HG LEU A 96 6.057 13.027 14.194 1.00 0.00 H new ATOM 0 HD11 LEU A 96 6.322 10.718 13.373 1.00 0.00 H new ATOM 0 HD12 LEU A 96 4.641 11.283 13.227 1.00 0.00 H new ATOM 0 HD13 LEU A 96 5.685 11.214 11.788 1.00 0.00 H new ATOM 0 HD21 LEU A 96 8.194 12.305 13.197 1.00 0.00 H new ATOM 0 HD22 LEU A 96 7.634 12.867 11.604 1.00 0.00 H new ATOM 0 HD23 LEU A 96 7.887 14.036 12.922 1.00 0.00 H new ATOM 1469 N GLN A 97 3.146 13.348 9.395 1.00 0.00 N ATOM 1470 CA GLN A 97 1.817 13.593 8.844 1.00 0.00 C ATOM 1471 C GLN A 97 1.342 12.362 8.075 1.00 0.00 C ATOM 1472 O GLN A 97 2.159 11.623 7.527 1.00 0.00 O ATOM 1473 CB GLN A 97 1.835 14.824 7.928 1.00 0.00 C ATOM 1474 CG GLN A 97 2.976 14.828 6.923 1.00 0.00 C ATOM 1475 CD GLN A 97 3.073 16.130 6.149 1.00 0.00 C ATOM 1476 OE1 GLN A 97 3.705 17.085 6.595 1.00 0.00 O ATOM 1477 NE2 GLN A 97 2.456 16.178 4.981 1.00 0.00 N ATOM 0 H GLN A 97 3.684 12.647 8.885 1.00 0.00 H new ATOM 0 HA GLN A 97 1.124 13.788 9.663 1.00 0.00 H new ATOM 0 HB2 GLN A 97 0.889 14.877 7.389 1.00 0.00 H new ATOM 0 HB3 GLN A 97 1.903 15.721 8.543 1.00 0.00 H new ATOM 0 HG2 GLN A 97 3.916 14.651 7.446 1.00 0.00 H new ATOM 0 HG3 GLN A 97 2.840 14.004 6.223 1.00 0.00 H new ATOM 0 HE21 GLN A 97 1.941 15.365 4.643 1.00 0.00 H new ATOM 0 HE22 GLN A 97 2.495 17.028 4.418 1.00 0.00 H new ATOM 1486 N PRO A 98 0.025 12.103 8.050 1.00 0.00 N ATOM 1487 CA PRO A 98 -0.539 10.953 7.335 1.00 0.00 C ATOM 1488 C PRO A 98 -0.442 11.122 5.819 1.00 0.00 C ATOM 1489 O PRO A 98 -1.291 11.760 5.198 1.00 0.00 O ATOM 1490 CB PRO A 98 -2.000 10.929 7.790 1.00 0.00 C ATOM 1491 CG PRO A 98 -2.302 12.334 8.183 1.00 0.00 C ATOM 1492 CD PRO A 98 -1.017 12.903 8.721 1.00 0.00 C ATOM 0 HA PRO A 98 -0.006 10.028 7.553 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -2.658 10.593 6.989 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -2.142 10.245 8.627 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -2.655 12.910 7.328 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -3.089 12.367 8.937 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -0.920 13.963 8.489 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -0.959 12.808 9.805 1.00 0.00 H new ATOM 1500 N GLN A 99 0.597 10.548 5.227 1.00 0.00 N ATOM 1501 CA GLN A 99 0.816 10.659 3.788 1.00 0.00 C ATOM 1502 C GLN A 99 0.384 9.398 3.051 1.00 0.00 C ATOM 1503 O GLN A 99 -0.006 9.448 1.882 1.00 0.00 O ATOM 1504 CB GLN A 99 2.291 10.924 3.507 1.00 0.00 C ATOM 1505 CG GLN A 99 2.805 12.213 4.115 1.00 0.00 C ATOM 1506 CD GLN A 99 2.578 13.410 3.218 1.00 0.00 C ATOM 1507 OE1 GLN A 99 1.551 14.082 3.306 1.00 0.00 O ATOM 1508 NE2 GLN A 99 3.533 13.676 2.344 1.00 0.00 N ATOM 0 H GLN A 99 1.302 10.000 5.720 1.00 0.00 H new ATOM 0 HA GLN A 99 0.209 11.489 3.427 1.00 0.00 H new ATOM 0 HB2 GLN A 99 2.880 10.091 3.891 1.00 0.00 H new ATOM 0 HB3 GLN A 99 2.447 10.954 2.429 1.00 0.00 H new ATOM 0 HG2 GLN A 99 2.311 12.382 5.072 1.00 0.00 H new ATOM 0 HG3 GLN A 99 3.871 12.114 4.320 1.00 0.00 H new ATOM 0 HE21 GLN A 99 4.368 13.091 2.307 1.00 0.00 H new ATOM 0 HE22 GLN A 99 3.435 14.466 1.707 1.00 0.00 H new ATOM 1517 N CYS A 100 0.467 8.264 3.726 1.00 0.00 N ATOM 1518 CA CYS A 100 0.098 7.001 3.116 1.00 0.00 C ATOM 1519 C CYS A 100 -1.109 6.385 3.811 1.00 0.00 C ATOM 1520 O CYS A 100 -0.966 5.541 4.694 1.00 0.00 O ATOM 1521 CB CYS A 100 1.286 6.039 3.148 1.00 0.00 C ATOM 1522 SG CYS A 100 2.745 6.652 2.273 1.00 0.00 S ATOM 0 H CYS A 100 0.785 8.193 4.692 1.00 0.00 H new ATOM 0 HA CYS A 100 -0.178 7.189 2.078 1.00 0.00 H new ATOM 0 HB2 CYS A 100 1.553 5.841 4.186 1.00 0.00 H new ATOM 0 HB3 CYS A 100 0.984 5.088 2.709 1.00 0.00 H new ATOM 0 HG CYS A 100 3.814 6.353 2.950 1.00 0.00 H new ATOM 1528 N ILE A 101 -2.299 6.816 3.412 1.00 0.00 N ATOM 1529 CA ILE A 101 -3.529 6.295 3.989 1.00 0.00 C ATOM 1530 C ILE A 101 -3.899 4.984 3.301 1.00 0.00 C ATOM 1531 O ILE A 101 -4.794 4.932 2.457 1.00 0.00 O ATOM 1532 CB ILE A 101 -4.693 7.307 3.864 1.00 0.00 C ATOM 1533 CG1 ILE A 101 -4.266 8.673 4.409 1.00 0.00 C ATOM 1534 CG2 ILE A 101 -5.928 6.802 4.600 1.00 0.00 C ATOM 1535 CD1 ILE A 101 -5.319 9.750 4.253 1.00 0.00 C ATOM 0 H ILE A 101 -2.437 7.525 2.691 1.00 0.00 H new ATOM 0 HA ILE A 101 -3.358 6.120 5.051 1.00 0.00 H new ATOM 0 HB ILE A 101 -4.946 7.414 2.809 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -4.018 8.571 5.465 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -3.357 8.990 3.897 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -6.734 7.529 4.499 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -6.242 5.850 4.173 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -5.692 6.666 5.655 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -4.943 10.688 4.662 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -5.551 9.882 3.196 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -6.222 9.456 4.789 1.00 0.00 H new ATOM 1547 N MET A 102 -3.177 3.930 3.641 1.00 0.00 N ATOM 1548 CA MET A 102 -3.416 2.625 3.052 1.00 0.00 C ATOM 1549 C MET A 102 -4.654 1.985 3.665 1.00 0.00 C ATOM 1550 O MET A 102 -4.789 1.915 4.886 1.00 0.00 O ATOM 1551 CB MET A 102 -2.194 1.725 3.247 1.00 0.00 C ATOM 1552 CG MET A 102 -2.317 0.370 2.573 1.00 0.00 C ATOM 1553 SD MET A 102 -0.717 -0.355 2.171 1.00 0.00 S ATOM 1554 CE MET A 102 -0.037 -0.615 3.808 1.00 0.00 C ATOM 0 H MET A 102 -2.419 3.953 4.323 1.00 0.00 H new ATOM 0 HA MET A 102 -3.588 2.750 1.983 1.00 0.00 H new ATOM 0 HB2 MET A 102 -1.313 2.235 2.858 1.00 0.00 H new ATOM 0 HB3 MET A 102 -2.031 1.576 4.314 1.00 0.00 H new ATOM 0 HG2 MET A 102 -2.864 -0.308 3.227 1.00 0.00 H new ATOM 0 HG3 MET A 102 -2.903 0.475 1.660 1.00 0.00 H new ATOM 0 HE1 MET A 102 0.970 -0.201 3.853 1.00 0.00 H new ATOM 0 HE2 MET A 102 -0.667 -0.119 4.547 1.00 0.00 H new ATOM 0 HE3 MET A 102 -0.000 -1.683 4.021 1.00 0.00 H new ATOM 1564 N CYS A 103 -5.568 1.546 2.819 1.00 0.00 N ATOM 1565 CA CYS A 103 -6.790 0.916 3.281 1.00 0.00 C ATOM 1566 C CYS A 103 -6.926 -0.479 2.683 1.00 0.00 C ATOM 1567 O CYS A 103 -7.086 -0.635 1.471 1.00 0.00 O ATOM 1568 CB CYS A 103 -7.999 1.775 2.910 1.00 0.00 C ATOM 1569 SG CYS A 103 -7.887 3.484 3.492 1.00 0.00 S ATOM 0 H CYS A 103 -5.486 1.615 1.805 1.00 0.00 H new ATOM 0 HA CYS A 103 -6.747 0.824 4.366 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -8.113 1.777 1.826 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -8.898 1.318 3.324 1.00 0.00 H new ATOM 0 HG CYS A 103 -6.765 4.006 3.093 1.00 0.00 H new ATOM 1575 N VAL A 104 -6.830 -1.489 3.531 1.00 0.00 N ATOM 1576 CA VAL A 104 -6.951 -2.872 3.089 1.00 0.00 C ATOM 1577 C VAL A 104 -8.410 -3.301 3.160 1.00 0.00 C ATOM 1578 O VAL A 104 -8.981 -3.388 4.245 1.00 0.00 O ATOM 1579 CB VAL A 104 -6.095 -3.824 3.952 1.00 0.00 C ATOM 1580 CG1 VAL A 104 -5.912 -5.163 3.253 1.00 0.00 C ATOM 1581 CG2 VAL A 104 -4.747 -3.197 4.278 1.00 0.00 C ATOM 0 H VAL A 104 -6.668 -1.379 4.532 1.00 0.00 H new ATOM 0 HA VAL A 104 -6.589 -2.929 2.063 1.00 0.00 H new ATOM 0 HB VAL A 104 -6.622 -3.997 4.890 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -5.306 -5.820 3.877 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -6.886 -5.621 3.083 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -5.412 -5.009 2.297 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -4.162 -3.887 4.887 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -4.211 -2.986 3.353 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -4.901 -2.269 4.828 1.00 0.00 H new ATOM 1591 N ASN A 105 -9.017 -3.556 2.011 1.00 0.00 N ATOM 1592 CA ASN A 105 -10.420 -3.947 1.975 1.00 0.00 C ATOM 1593 C ASN A 105 -10.574 -5.455 1.846 1.00 0.00 C ATOM 1594 O ASN A 105 -10.160 -6.055 0.852 1.00 0.00 O ATOM 1595 CB ASN A 105 -11.143 -3.241 0.829 1.00 0.00 C ATOM 1596 CG ASN A 105 -12.330 -2.428 1.309 1.00 0.00 C ATOM 1597 OD1 ASN A 105 -12.953 -2.751 2.320 1.00 0.00 O ATOM 1598 ND2 ASN A 105 -12.649 -1.363 0.589 1.00 0.00 N ATOM 0 H ASN A 105 -8.566 -3.500 1.098 1.00 0.00 H new ATOM 0 HA ASN A 105 -10.873 -3.643 2.919 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -10.443 -2.586 0.310 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -11.482 -3.982 0.105 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -13.436 -0.777 0.867 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -12.107 -1.129 -0.243 1.00 0.00 H new ATOM 1605 N TYR A 106 -11.169 -6.058 2.863 1.00 0.00 N ATOM 1606 CA TYR A 106 -11.391 -7.493 2.889 1.00 0.00 C ATOM 1607 C TYR A 106 -12.831 -7.820 2.509 1.00 0.00 C ATOM 1608 O TYR A 106 -13.768 -7.422 3.204 1.00 0.00 O ATOM 1609 CB TYR A 106 -11.112 -8.060 4.284 1.00 0.00 C ATOM 1610 CG TYR A 106 -9.751 -7.723 4.855 1.00 0.00 C ATOM 1611 CD1 TYR A 106 -8.613 -8.407 4.448 1.00 0.00 C ATOM 1612 CD2 TYR A 106 -9.609 -6.734 5.820 1.00 0.00 C ATOM 1613 CE1 TYR A 106 -7.372 -8.115 4.984 1.00 0.00 C ATOM 1614 CE2 TYR A 106 -8.372 -6.434 6.358 1.00 0.00 C ATOM 1615 CZ TYR A 106 -7.257 -7.127 5.938 1.00 0.00 C ATOM 1616 OH TYR A 106 -6.023 -6.829 6.473 1.00 0.00 O ATOM 0 H TYR A 106 -11.510 -5.568 3.690 1.00 0.00 H new ATOM 0 HA TYR A 106 -10.709 -7.944 2.168 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -11.877 -7.692 4.968 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -11.214 -9.145 4.245 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -8.699 -9.181 3.699 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -10.480 -6.190 6.155 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -6.498 -8.658 4.657 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -8.279 -5.659 7.105 1.00 0.00 H new ATOM 0 HH TYR A 106 -5.873 -5.861 6.431 1.00 0.00 H new ATOM 1626 N VAL A 107 -13.007 -8.534 1.408 1.00 0.00 N ATOM 1627 CA VAL A 107 -14.338 -8.930 0.965 1.00 0.00 C ATOM 1628 C VAL A 107 -14.728 -10.231 1.656 1.00 0.00 C ATOM 1629 O VAL A 107 -13.975 -11.206 1.617 1.00 0.00 O ATOM 1630 CB VAL A 107 -14.404 -9.121 -0.566 1.00 0.00 C ATOM 1631 CG1 VAL A 107 -15.850 -9.246 -1.028 1.00 0.00 C ATOM 1632 CG2 VAL A 107 -13.709 -7.972 -1.283 1.00 0.00 C ATOM 0 H VAL A 107 -12.248 -8.851 0.805 1.00 0.00 H new ATOM 0 HA VAL A 107 -15.032 -8.132 1.229 1.00 0.00 H new ATOM 0 HB VAL A 107 -13.882 -10.044 -0.818 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -15.876 -9.380 -2.109 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -16.313 -10.106 -0.545 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -16.397 -8.342 -0.761 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -13.767 -8.127 -2.360 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -14.198 -7.033 -1.024 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -12.663 -7.932 -0.978 1.00 0.00 H new ATOM 1642 N LEU A 108 -15.890 -10.253 2.297 1.00 0.00 N ATOM 1643 CA LEU A 108 -16.325 -11.452 3.005 1.00 0.00 C ATOM 1644 C LEU A 108 -17.729 -11.891 2.602 1.00 0.00 C ATOM 1645 O LEU A 108 -17.959 -13.068 2.323 1.00 0.00 O ATOM 1646 CB LEU A 108 -16.268 -11.223 4.519 1.00 0.00 C ATOM 1647 CG LEU A 108 -14.861 -11.205 5.123 1.00 0.00 C ATOM 1648 CD1 LEU A 108 -14.921 -10.873 6.605 1.00 0.00 C ATOM 1649 CD2 LEU A 108 -14.169 -12.545 4.900 1.00 0.00 C ATOM 0 H LEU A 108 -16.540 -9.468 2.342 1.00 0.00 H new ATOM 0 HA LEU A 108 -15.640 -12.252 2.726 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -16.755 -10.275 4.746 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -16.847 -12.005 5.011 1.00 0.00 H new ATOM 0 HG LEU A 108 -14.280 -10.430 4.623 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -13.912 -10.865 7.017 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -15.376 -9.892 6.740 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -15.518 -11.624 7.122 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -13.170 -12.516 5.335 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -14.748 -13.337 5.374 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -14.093 -12.742 3.831 1.00 0.00 H new ATOM 1661 N SER A 109 -18.665 -10.956 2.574 1.00 0.00 N ATOM 1662 CA SER A 109 -20.041 -11.284 2.234 1.00 0.00 C ATOM 1663 C SER A 109 -20.297 -11.140 0.736 1.00 0.00 C ATOM 1664 O SER A 109 -19.376 -10.880 -0.043 1.00 0.00 O ATOM 1665 CB SER A 109 -20.995 -10.403 3.041 1.00 0.00 C ATOM 1666 OG SER A 109 -20.576 -10.320 4.396 1.00 0.00 O ATOM 0 H SER A 109 -18.500 -9.971 2.781 1.00 0.00 H new ATOM 0 HA SER A 109 -20.221 -12.328 2.490 1.00 0.00 H new ATOM 0 HB2 SER A 109 -21.033 -9.405 2.605 1.00 0.00 H new ATOM 0 HB3 SER A 109 -22.005 -10.811 2.992 1.00 0.00 H new ATOM 0 HG SER A 109 -20.570 -9.382 4.680 1.00 0.00 H new ATOM 1672 N GLU A 110 -21.549 -11.325 0.340 1.00 0.00 N ATOM 1673 CA GLU A 110 -21.942 -11.240 -1.059 1.00 0.00 C ATOM 1674 C GLU A 110 -22.291 -9.807 -1.457 1.00 0.00 C ATOM 1675 O GLU A 110 -21.916 -8.848 -0.779 1.00 0.00 O ATOM 1676 CB GLU A 110 -23.135 -12.165 -1.328 1.00 0.00 C ATOM 1677 CG GLU A 110 -24.361 -11.864 -0.475 1.00 0.00 C ATOM 1678 CD GLU A 110 -24.348 -12.607 0.844 1.00 0.00 C ATOM 1679 OE1 GLU A 110 -23.743 -12.097 1.812 1.00 0.00 O ATOM 1680 OE2 GLU A 110 -24.930 -13.711 0.913 1.00 0.00 O ATOM 0 H GLU A 110 -22.317 -11.537 0.977 1.00 0.00 H new ATOM 0 HA GLU A 110 -21.093 -11.559 -1.664 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -23.410 -12.089 -2.380 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -22.828 -13.196 -1.153 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -24.412 -10.792 -0.284 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -25.260 -12.132 -1.030 1.00 0.00 H new ATOM 1687 N ILE A 111 -23.004 -9.677 -2.569 1.00 0.00 N ATOM 1688 CA ILE A 111 -23.410 -8.379 -3.078 1.00 0.00 C ATOM 1689 C ILE A 111 -24.909 -8.177 -2.888 1.00 0.00 C ATOM 1690 O ILE A 111 -25.711 -9.040 -3.251 1.00 0.00 O ATOM 1691 CB ILE A 111 -23.069 -8.234 -4.578 1.00 0.00 C ATOM 1692 CG1 ILE A 111 -21.648 -8.727 -4.852 1.00 0.00 C ATOM 1693 CG2 ILE A 111 -23.223 -6.787 -5.022 1.00 0.00 C ATOM 1694 CD1 ILE A 111 -21.306 -8.816 -6.324 1.00 0.00 C ATOM 0 H ILE A 111 -23.314 -10.465 -3.138 1.00 0.00 H new ATOM 0 HA ILE A 111 -22.862 -7.622 -2.516 1.00 0.00 H new ATOM 0 HB ILE A 111 -23.765 -8.847 -5.151 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -20.940 -8.057 -4.364 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -21.521 -9.710 -4.399 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -22.979 -6.703 -6.081 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -24.251 -6.464 -4.860 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -22.549 -6.155 -4.443 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -20.282 -9.173 -6.439 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -21.989 -9.509 -6.815 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -21.400 -7.830 -6.780 1.00 0.00 H new ATOM 1706 N GLU A 112 -25.277 -7.047 -2.306 1.00 0.00 N ATOM 1707 CA GLU A 112 -26.674 -6.721 -2.075 1.00 0.00 C ATOM 1708 C GLU A 112 -27.385 -6.509 -3.407 1.00 0.00 C ATOM 1709 O GLU A 112 -26.934 -5.645 -4.194 1.00 0.00 O ATOM 1710 CB GLU A 112 -26.797 -5.463 -1.213 1.00 0.00 C ATOM 1711 CG GLU A 112 -26.030 -5.536 0.099 1.00 0.00 C ATOM 1712 CD GLU A 112 -26.926 -5.828 1.285 1.00 0.00 C ATOM 1713 OE1 GLU A 112 -27.623 -4.902 1.748 1.00 0.00 O ATOM 1714 OE2 GLU A 112 -26.935 -6.981 1.769 1.00 0.00 O ATOM 1715 OXT GLU A 112 -28.382 -7.213 -3.669 1.00 0.00 O ATOM 0 H GLU A 112 -24.621 -6.335 -1.983 1.00 0.00 H new ATOM 0 HA GLU A 112 -27.141 -7.552 -1.546 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -26.439 -4.607 -1.784 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -27.850 -5.284 -0.997 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -25.267 -6.311 0.026 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -25.511 -4.592 0.265 1.00 0.00 H new ATOM 1723 N CYS B 7 5.288 15.699 -9.241 1.00 1.33 N ATOM 1724 CA CYS B 7 5.036 16.160 -7.860 1.00 1.38 C ATOM 1725 C CYS B 7 4.401 15.044 -7.042 1.00 1.15 C ATOM 1726 O CYS B 7 3.191 14.821 -7.112 1.00 1.28 O ATOM 1727 CB CYS B 7 4.127 17.392 -7.870 1.00 1.79 C ATOM 1728 SG CYS B 7 4.865 18.843 -8.655 1.00 2.58 S ATOM 0 HA CYS B 7 5.987 16.432 -7.403 1.00 1.38 H new ATOM 0 HB2 CYS B 7 3.201 17.143 -8.388 1.00 1.79 H new ATOM 0 HB3 CYS B 7 3.861 17.643 -6.843 1.00 1.79 H new ATOM 0 HG CYS B 7 4.022 19.832 -8.618 1.00 2.58 H new ATOM 1736 N GLN B 8 5.226 14.336 -6.281 1.00 0.90 N ATOM 1737 CA GLN B 8 4.750 13.238 -5.452 1.00 0.76 C ATOM 1738 C GLN B 8 5.605 13.110 -4.193 1.00 0.65 C ATOM 1739 O GLN B 8 6.794 13.441 -4.205 1.00 0.64 O ATOM 1740 CB GLN B 8 4.747 11.917 -6.242 1.00 0.71 C ATOM 1741 CG GLN B 8 6.035 11.636 -7.004 1.00 0.89 C ATOM 1742 CD GLN B 8 5.960 12.043 -8.464 1.00 1.17 C ATOM 1743 OE1 GLN B 8 6.314 13.165 -8.830 1.00 1.79 O ATOM 1744 NE2 GLN B 8 5.493 11.136 -9.308 1.00 1.90 N ATOM 0 H GLN B 8 6.230 14.504 -6.221 1.00 0.90 H new ATOM 0 HA GLN B 8 3.725 13.456 -5.153 1.00 0.76 H new ATOM 0 HB2 GLN B 8 4.562 11.095 -5.551 1.00 0.71 H new ATOM 0 HB3 GLN B 8 3.917 11.932 -6.949 1.00 0.71 H new ATOM 0 HG2 GLN B 8 6.857 12.168 -6.526 1.00 0.89 H new ATOM 0 HG3 GLN B 8 6.264 10.572 -6.940 1.00 0.89 H new ATOM 0 HE21 GLN B 8 5.210 10.218 -8.965 1.00 1.90 H new ATOM 0 HE22 GLN B 8 5.416 11.355 -10.301 1.00 1.90 H new ATOM 1753 N PRO B 9 4.997 12.648 -3.086 1.00 0.64 N ATOM 1754 CA PRO B 9 5.689 12.480 -1.798 1.00 0.56 C ATOM 1755 C PRO B 9 6.871 11.515 -1.874 1.00 0.44 C ATOM 1756 O PRO B 9 6.968 10.699 -2.792 1.00 0.38 O ATOM 1757 CB PRO B 9 4.603 11.911 -0.874 1.00 0.61 C ATOM 1758 CG PRO B 9 3.313 12.278 -1.521 1.00 0.75 C ATOM 1759 CD PRO B 9 3.579 12.260 -2.996 1.00 0.77 C ATOM 0 HA PRO B 9 6.117 13.422 -1.455 1.00 0.56 H new ATOM 0 HB2 PRO B 9 4.699 10.830 -0.771 1.00 0.61 H new ATOM 0 HB3 PRO B 9 4.676 12.334 0.128 1.00 0.61 H new ATOM 0 HG2 PRO B 9 2.527 11.571 -1.256 1.00 0.75 H new ATOM 0 HG3 PRO B 9 2.978 13.263 -1.196 1.00 0.75 H new ATOM 0 HD2 PRO B 9 3.403 11.274 -3.425 1.00 0.77 H new ATOM 0 HD3 PRO B 9 2.935 12.959 -3.530 1.00 0.77 H new ATOM 1767 N THR B 10 7.758 11.605 -0.887 1.00 0.43 N ATOM 1768 CA THR B 10 8.944 10.757 -0.823 1.00 0.37 C ATOM 1769 C THR B 10 8.647 9.449 -0.085 1.00 0.31 C ATOM 1770 O THR B 10 9.531 8.841 0.528 1.00 0.39 O ATOM 1771 CB THR B 10 10.099 11.497 -0.122 1.00 0.46 C ATOM 1772 OG1 THR B 10 9.832 12.905 -0.111 1.00 0.88 O ATOM 1773 CG2 THR B 10 11.419 11.242 -0.831 1.00 0.62 C ATOM 0 H THR B 10 7.676 12.264 -0.113 1.00 0.43 H new ATOM 0 HA THR B 10 9.238 10.520 -1.845 1.00 0.37 H new ATOM 0 HB THR B 10 10.175 11.123 0.899 1.00 0.46 H new ATOM 0 HG1 THR B 10 10.567 13.374 0.337 1.00 0.88 H new ATOM 0 HG21 THR B 10 12.218 11.776 -0.316 1.00 0.62 H new ATOM 0 HG22 THR B 10 11.634 10.174 -0.826 1.00 0.62 H new ATOM 0 HG23 THR B 10 11.353 11.594 -1.861 1.00 0.62 H new ATOM 1781 N GLU B 11 7.394 9.028 -0.151 1.00 0.30 N ATOM 1782 CA GLU B 11 6.955 7.799 0.485 1.00 0.31 C ATOM 1783 C GLU B 11 6.046 7.032 -0.466 1.00 0.27 C ATOM 1784 O GLU B 11 4.895 7.417 -0.690 1.00 0.31 O ATOM 1785 CB GLU B 11 6.230 8.096 1.802 1.00 0.45 C ATOM 1786 CG GLU B 11 5.261 9.265 1.729 1.00 1.13 C ATOM 1787 CD GLU B 11 5.616 10.376 2.695 1.00 1.36 C ATOM 1788 OE1 GLU B 11 6.013 10.070 3.837 1.00 1.65 O ATOM 1789 OE2 GLU B 11 5.490 11.560 2.316 1.00 1.83 O ATOM 0 H GLU B 11 6.655 9.528 -0.646 1.00 0.30 H new ATOM 0 HA GLU B 11 7.828 7.189 0.716 1.00 0.31 H new ATOM 0 HB2 GLU B 11 5.684 7.205 2.113 1.00 0.45 H new ATOM 0 HB3 GLU B 11 6.972 8.301 2.574 1.00 0.45 H new ATOM 0 HG2 GLU B 11 5.251 9.661 0.713 1.00 1.13 H new ATOM 0 HG3 GLU B 11 4.253 8.910 1.943 1.00 1.13 H new ATOM 1796 N PHE B 12 6.564 5.957 -1.037 1.00 0.30 N ATOM 1797 CA PHE B 12 5.795 5.165 -1.981 1.00 0.30 C ATOM 1798 C PHE B 12 5.561 3.751 -1.468 1.00 0.27 C ATOM 1799 O PHE B 12 6.419 3.158 -0.819 1.00 0.33 O ATOM 1800 CB PHE B 12 6.481 5.142 -3.355 1.00 0.35 C ATOM 1801 CG PHE B 12 7.881 4.585 -3.365 1.00 0.34 C ATOM 1802 CD1 PHE B 12 8.965 5.375 -3.009 1.00 0.39 C ATOM 1803 CD2 PHE B 12 8.113 3.276 -3.754 1.00 0.42 C ATOM 1804 CE1 PHE B 12 10.249 4.865 -3.034 1.00 0.42 C ATOM 1805 CE2 PHE B 12 9.396 2.763 -3.784 1.00 0.45 C ATOM 1806 CZ PHE B 12 10.465 3.558 -3.424 1.00 0.40 C ATOM 0 H PHE B 12 7.509 5.614 -0.864 1.00 0.30 H new ATOM 0 HA PHE B 12 4.819 5.638 -2.091 1.00 0.30 H new ATOM 0 HB2 PHE B 12 5.869 4.554 -4.039 1.00 0.35 H new ATOM 0 HB3 PHE B 12 6.509 6.159 -3.746 1.00 0.35 H new ATOM 0 HD1 PHE B 12 8.803 6.400 -2.709 1.00 0.39 H new ATOM 0 HD2 PHE B 12 7.281 2.648 -4.037 1.00 0.42 H new ATOM 0 HE1 PHE B 12 11.083 5.488 -2.749 1.00 0.42 H new ATOM 0 HE2 PHE B 12 9.562 1.740 -4.089 1.00 0.45 H new ATOM 0 HZ PHE B 12 11.468 3.159 -3.447 1.00 0.40 H new ATOM 1816 N ILE B 13 4.383 3.225 -1.765 1.00 0.27 N ATOM 1817 CA ILE B 13 4.005 1.883 -1.348 1.00 0.27 C ATOM 1818 C ILE B 13 3.962 0.960 -2.556 1.00 0.29 C ATOM 1819 O ILE B 13 3.100 1.102 -3.420 1.00 0.35 O ATOM 1820 CB ILE B 13 2.625 1.863 -0.657 1.00 0.36 C ATOM 1821 CG1 ILE B 13 2.537 2.960 0.408 1.00 0.98 C ATOM 1822 CG2 ILE B 13 2.368 0.495 -0.036 1.00 0.85 C ATOM 1823 CD1 ILE B 13 1.168 3.083 1.045 1.00 1.40 C ATOM 0 H ILE B 13 3.665 3.713 -2.299 1.00 0.27 H new ATOM 0 HA ILE B 13 4.753 1.542 -0.633 1.00 0.27 H new ATOM 0 HB ILE B 13 1.859 2.056 -1.408 1.00 0.36 H new ATOM 0 HG12 ILE B 13 3.273 2.758 1.186 1.00 0.98 H new ATOM 0 HG13 ILE B 13 2.805 3.915 -0.044 1.00 0.98 H new ATOM 0 HG21 ILE B 13 1.392 0.493 0.449 1.00 0.85 H new ATOM 0 HG22 ILE B 13 2.388 -0.268 -0.815 1.00 0.85 H new ATOM 0 HG23 ILE B 13 3.140 0.280 0.703 1.00 0.85 H new ATOM 0 HD11 ILE B 13 1.183 3.880 1.789 1.00 1.40 H new ATOM 0 HD12 ILE B 13 0.429 3.316 0.278 1.00 1.40 H new ATOM 0 HD13 ILE B 13 0.905 2.142 1.527 1.00 1.40 H new ATOM 1835 N SER B 14 4.891 0.022 -2.616 1.00 0.34 N ATOM 1836 CA SER B 14 4.953 -0.908 -3.731 1.00 0.42 C ATOM 1837 C SER B 14 4.744 -2.342 -3.255 1.00 0.35 C ATOM 1838 O SER B 14 5.099 -2.693 -2.127 1.00 0.40 O ATOM 1839 CB SER B 14 6.297 -0.766 -4.444 1.00 0.54 C ATOM 1840 OG SER B 14 6.589 0.599 -4.686 1.00 1.47 O ATOM 0 H SER B 14 5.612 -0.116 -1.908 1.00 0.34 H new ATOM 0 HA SER B 14 4.152 -0.671 -4.432 1.00 0.42 H new ATOM 0 HB2 SER B 14 7.086 -1.211 -3.837 1.00 0.54 H new ATOM 0 HB3 SER B 14 6.274 -1.312 -5.387 1.00 0.54 H new ATOM 0 HG SER B 14 7.530 0.774 -4.476 1.00 1.47 H new ATOM 1846 N ARG B 15 4.164 -3.165 -4.116 1.00 0.31 N ATOM 1847 CA ARG B 15 3.905 -4.559 -3.787 1.00 0.31 C ATOM 1848 C ARG B 15 5.012 -5.450 -4.333 1.00 0.27 C ATOM 1849 O ARG B 15 5.429 -5.309 -5.485 1.00 0.29 O ATOM 1850 CB ARG B 15 2.547 -5.009 -4.343 1.00 0.42 C ATOM 1851 CG ARG B 15 2.365 -4.735 -5.828 1.00 0.54 C ATOM 1852 CD ARG B 15 1.425 -5.740 -6.478 1.00 0.90 C ATOM 1853 NE ARG B 15 0.113 -5.770 -5.836 1.00 1.40 N ATOM 1854 CZ ARG B 15 -1.042 -5.854 -6.498 1.00 1.85 C ATOM 1855 NH1 ARG B 15 -1.053 -5.876 -7.829 1.00 2.03 N ATOM 1856 NH2 ARG B 15 -2.179 -5.904 -5.822 1.00 2.69 N ATOM 0 H ARG B 15 3.863 -2.890 -5.051 1.00 0.31 H new ATOM 0 HA ARG B 15 3.882 -4.650 -2.701 1.00 0.31 H new ATOM 0 HB2 ARG B 15 2.429 -6.078 -4.164 1.00 0.42 H new ATOM 0 HB3 ARG B 15 1.754 -4.504 -3.791 1.00 0.42 H new ATOM 0 HG2 ARG B 15 1.972 -3.728 -5.966 1.00 0.54 H new ATOM 0 HG3 ARG B 15 3.334 -4.770 -6.325 1.00 0.54 H new ATOM 0 HD2 ARG B 15 1.305 -5.492 -7.533 1.00 0.90 H new ATOM 0 HD3 ARG B 15 1.872 -6.733 -6.433 1.00 0.90 H new ATOM 0 HE ARG B 15 0.078 -5.724 -4.818 1.00 1.40 H new ATOM 0 HH11 ARG B 15 -0.176 -5.829 -8.347 1.00 2.03 H new ATOM 0 HH12 ARG B 15 -1.939 -5.940 -8.331 1.00 2.03 H new ATOM 0 HH21 ARG B 15 -2.168 -5.878 -4.802 1.00 2.69 H new ATOM 0 HH22 ARG B 15 -3.066 -5.968 -6.321 1.00 2.69 H new ATOM 1870 N HIS B 16 5.498 -6.351 -3.497 1.00 0.28 N ATOM 1871 CA HIS B 16 6.551 -7.270 -3.898 1.00 0.28 C ATOM 1872 C HIS B 16 6.354 -8.617 -3.222 1.00 0.32 C ATOM 1873 O HIS B 16 5.718 -8.704 -2.171 1.00 0.40 O ATOM 1874 CB HIS B 16 7.936 -6.700 -3.552 1.00 0.32 C ATOM 1875 CG HIS B 16 8.188 -6.541 -2.083 1.00 0.36 C ATOM 1876 ND1 HIS B 16 8.537 -7.588 -1.255 1.00 0.54 N ATOM 1877 CD2 HIS B 16 8.149 -5.441 -1.297 1.00 0.75 C ATOM 1878 CE1 HIS B 16 8.700 -7.139 -0.027 1.00 0.46 C ATOM 1879 NE2 HIS B 16 8.472 -5.841 -0.026 1.00 0.61 N ATOM 0 H HIS B 16 5.180 -6.467 -2.535 1.00 0.28 H new ATOM 0 HA HIS B 16 6.497 -7.403 -4.978 1.00 0.28 H new ATOM 0 HB2 HIS B 16 8.700 -7.354 -3.971 1.00 0.32 H new ATOM 0 HB3 HIS B 16 8.048 -5.729 -4.035 1.00 0.32 H new ATOM 0 HD1 HIS B 16 8.651 -8.558 -1.548 1.00 0.54 H new ATOM 0 HD2 HIS B 16 7.909 -4.436 -1.612 1.00 0.75 H new ATOM 0 HE1 HIS B 16 8.974 -7.733 0.832 1.00 0.46 H new ATOM 1888 N ASN B 17 6.895 -9.661 -3.822 1.00 0.31 N ATOM 1889 CA ASN B 17 6.785 -10.998 -3.255 1.00 0.39 C ATOM 1890 C ASN B 17 7.844 -11.187 -2.165 1.00 0.35 C ATOM 1891 O ASN B 17 8.596 -10.253 -1.861 1.00 0.32 O ATOM 1892 CB ASN B 17 6.912 -12.064 -4.353 1.00 0.49 C ATOM 1893 CG ASN B 17 8.332 -12.282 -4.843 1.00 0.95 C ATOM 1894 OD1 ASN B 17 9.192 -11.407 -4.735 1.00 2.04 O ATOM 1895 ND2 ASN B 17 8.582 -13.457 -5.396 1.00 0.59 N ATOM 0 H ASN B 17 7.414 -9.613 -4.699 1.00 0.31 H new ATOM 0 HA ASN B 17 5.801 -11.114 -2.800 1.00 0.39 H new ATOM 0 HB2 ASN B 17 6.520 -13.008 -3.975 1.00 0.49 H new ATOM 0 HB3 ASN B 17 6.287 -11.776 -5.199 1.00 0.49 H new ATOM 0 HD21 ASN B 17 9.515 -13.665 -5.752 1.00 0.59 H new ATOM 0 HD22 ASN B 17 7.842 -14.155 -5.467 1.00 0.59 H new ATOM 1902 N ILE B 18 7.913 -12.382 -1.586 1.00 0.40 N ATOM 1903 CA ILE B 18 8.877 -12.664 -0.517 1.00 0.45 C ATOM 1904 C ILE B 18 10.328 -12.558 -0.995 1.00 0.44 C ATOM 1905 O ILE B 18 11.235 -12.354 -0.191 1.00 0.52 O ATOM 1906 CB ILE B 18 8.652 -14.053 0.114 1.00 0.53 C ATOM 1907 CG1 ILE B 18 8.711 -15.150 -0.950 1.00 0.59 C ATOM 1908 CG2 ILE B 18 7.319 -14.088 0.848 1.00 0.57 C ATOM 1909 CD1 ILE B 18 8.727 -16.548 -0.375 1.00 0.70 C ATOM 0 H ILE B 18 7.317 -13.171 -1.835 1.00 0.40 H new ATOM 0 HA ILE B 18 8.704 -11.899 0.239 1.00 0.45 H new ATOM 0 HB ILE B 18 9.450 -14.238 0.833 1.00 0.53 H new ATOM 0 HG12 ILE B 18 7.852 -15.048 -1.613 1.00 0.59 H new ATOM 0 HG13 ILE B 18 9.603 -15.006 -1.560 1.00 0.59 H new ATOM 0 HG21 ILE B 18 7.172 -15.074 1.289 1.00 0.57 H new ATOM 0 HG22 ILE B 18 7.317 -13.334 1.636 1.00 0.57 H new ATOM 0 HG23 ILE B 18 6.511 -13.881 0.146 1.00 0.57 H new ATOM 0 HD11 ILE B 18 8.769 -17.275 -1.186 1.00 0.70 H new ATOM 0 HD12 ILE B 18 9.601 -16.668 0.266 1.00 0.70 H new ATOM 0 HD13 ILE B 18 7.822 -16.711 0.211 1.00 0.70 H new ATOM 1921 N GLU B 19 10.542 -12.695 -2.297 1.00 0.41 N ATOM 1922 CA GLU B 19 11.886 -12.602 -2.866 1.00 0.45 C ATOM 1923 C GLU B 19 12.326 -11.148 -2.966 1.00 0.41 C ATOM 1924 O GLU B 19 13.511 -10.849 -3.110 1.00 0.51 O ATOM 1925 CB GLU B 19 11.926 -13.211 -4.262 1.00 0.50 C ATOM 1926 CG GLU B 19 11.617 -14.693 -4.309 1.00 0.65 C ATOM 1927 CD GLU B 19 11.585 -15.210 -5.731 1.00 1.21 C ATOM 1928 OE1 GLU B 19 12.642 -15.206 -6.392 1.00 1.28 O ATOM 1929 OE2 GLU B 19 10.499 -15.596 -6.205 1.00 1.92 O ATOM 0 H GLU B 19 9.806 -12.871 -2.980 1.00 0.41 H new ATOM 0 HA GLU B 19 12.558 -13.150 -2.206 1.00 0.45 H new ATOM 0 HB2 GLU B 19 11.213 -12.684 -4.895 1.00 0.50 H new ATOM 0 HB3 GLU B 19 12.915 -13.045 -4.689 1.00 0.50 H new ATOM 0 HG2 GLU B 19 12.368 -15.240 -3.739 1.00 0.65 H new ATOM 0 HG3 GLU B 19 10.655 -14.880 -3.831 1.00 0.65 H new ATOM 1936 N GLY B 20 11.361 -10.246 -2.907 1.00 0.33 N ATOM 1937 CA GLY B 20 11.662 -8.839 -3.013 1.00 0.32 C ATOM 1938 C GLY B 20 11.454 -8.332 -4.423 1.00 0.29 C ATOM 1939 O GLY B 20 11.819 -7.202 -4.743 1.00 0.34 O ATOM 0 H GLY B 20 10.372 -10.466 -2.787 1.00 0.33 H new ATOM 0 HA2 GLY B 20 11.028 -8.278 -2.326 1.00 0.32 H new ATOM 0 HA3 GLY B 20 12.694 -8.663 -2.711 1.00 0.32 H new ATOM 1943 N ILE B 21 10.870 -9.183 -5.259 1.00 0.27 N ATOM 1944 CA ILE B 21 10.588 -8.842 -6.646 1.00 0.28 C ATOM 1945 C ILE B 21 9.359 -7.949 -6.712 1.00 0.27 C ATOM 1946 O ILE B 21 8.272 -8.352 -6.296 1.00 0.31 O ATOM 1947 CB ILE B 21 10.339 -10.108 -7.502 1.00 0.32 C ATOM 1948 CG1 ILE B 21 11.584 -10.999 -7.528 1.00 0.37 C ATOM 1949 CG2 ILE B 21 9.918 -9.733 -8.918 1.00 0.41 C ATOM 1950 CD1 ILE B 21 12.732 -10.429 -8.331 1.00 0.47 C ATOM 0 H ILE B 21 10.580 -10.125 -4.995 1.00 0.27 H new ATOM 0 HA ILE B 21 11.458 -8.321 -7.046 1.00 0.28 H new ATOM 0 HB ILE B 21 9.525 -10.670 -7.043 1.00 0.32 H new ATOM 0 HG12 ILE B 21 11.919 -11.168 -6.505 1.00 0.37 H new ATOM 0 HG13 ILE B 21 11.314 -11.971 -7.940 1.00 0.37 H new ATOM 0 HG21 ILE B 21 9.749 -10.639 -9.499 1.00 0.41 H new ATOM 0 HG22 ILE B 21 8.999 -9.149 -8.882 1.00 0.41 H new ATOM 0 HG23 ILE B 21 10.705 -9.142 -9.387 1.00 0.41 H new ATOM 0 HD11 ILE B 21 13.575 -11.119 -8.300 1.00 0.47 H new ATOM 0 HD12 ILE B 21 12.417 -10.286 -9.365 1.00 0.47 H new ATOM 0 HD13 ILE B 21 13.032 -9.470 -7.907 1.00 0.47 H new ATOM 1962 N PHE B 22 9.537 -6.739 -7.211 1.00 0.25 N ATOM 1963 CA PHE B 22 8.438 -5.791 -7.319 1.00 0.27 C ATOM 1964 C PHE B 22 7.466 -6.193 -8.421 1.00 0.28 C ATOM 1965 O PHE B 22 7.822 -6.216 -9.600 1.00 0.35 O ATOM 1966 CB PHE B 22 8.967 -4.383 -7.588 1.00 0.31 C ATOM 1967 CG PHE B 22 9.678 -3.774 -6.416 1.00 0.33 C ATOM 1968 CD1 PHE B 22 8.963 -3.180 -5.389 1.00 0.36 C ATOM 1969 CD2 PHE B 22 11.061 -3.796 -6.341 1.00 0.38 C ATOM 1970 CE1 PHE B 22 9.615 -2.619 -4.309 1.00 0.44 C ATOM 1971 CE2 PHE B 22 11.717 -3.238 -5.263 1.00 0.45 C ATOM 1972 CZ PHE B 22 10.993 -2.648 -4.245 1.00 0.46 C ATOM 0 H PHE B 22 10.433 -6.387 -7.549 1.00 0.25 H new ATOM 0 HA PHE B 22 7.904 -5.798 -6.369 1.00 0.27 H new ATOM 0 HB2 PHE B 22 9.648 -4.416 -8.438 1.00 0.31 H new ATOM 0 HB3 PHE B 22 8.134 -3.739 -7.872 1.00 0.31 H new ATOM 0 HD1 PHE B 22 7.884 -3.155 -5.434 1.00 0.36 H new ATOM 0 HD2 PHE B 22 11.632 -4.255 -7.135 1.00 0.38 H new ATOM 0 HE1 PHE B 22 9.047 -2.158 -3.515 1.00 0.44 H new ATOM 0 HE2 PHE B 22 12.796 -3.262 -5.215 1.00 0.45 H new ATOM 0 HZ PHE B 22 11.505 -2.210 -3.401 1.00 0.46 H new ATOM 1982 N THR B 23 6.244 -6.515 -8.025 1.00 0.27 N ATOM 1983 CA THR B 23 5.206 -6.897 -8.966 1.00 0.30 C ATOM 1984 C THR B 23 4.532 -5.647 -9.521 1.00 0.27 C ATOM 1985 O THR B 23 3.925 -5.667 -10.595 1.00 0.33 O ATOM 1986 CB THR B 23 4.156 -7.790 -8.284 1.00 0.42 C ATOM 1987 OG1 THR B 23 4.634 -8.192 -6.989 1.00 1.35 O ATOM 1988 CG2 THR B 23 3.856 -9.021 -9.127 1.00 1.14 C ATOM 0 H THR B 23 5.947 -6.519 -7.049 1.00 0.27 H new ATOM 0 HA THR B 23 5.665 -7.459 -9.780 1.00 0.30 H new ATOM 0 HB THR B 23 3.235 -7.218 -8.175 1.00 0.42 H new ATOM 0 HG1 THR B 23 3.964 -8.760 -6.555 1.00 1.35 H new ATOM 0 HG21 THR B 23 3.111 -9.635 -8.622 1.00 1.14 H new ATOM 0 HG22 THR B 23 3.473 -8.712 -10.099 1.00 1.14 H new ATOM 0 HG23 THR B 23 4.770 -9.599 -9.265 1.00 1.14 H new ATOM 1996 N PHE B 24 4.646 -4.566 -8.760 1.00 0.25 N ATOM 1997 CA PHE B 24 4.088 -3.272 -9.127 1.00 0.28 C ATOM 1998 C PHE B 24 4.662 -2.212 -8.197 1.00 0.26 C ATOM 1999 O PHE B 24 4.624 -2.365 -6.974 1.00 0.27 O ATOM 2000 CB PHE B 24 2.558 -3.280 -9.043 1.00 0.36 C ATOM 2001 CG PHE B 24 1.909 -2.187 -9.846 1.00 0.46 C ATOM 2002 CD1 PHE B 24 1.748 -2.319 -11.216 1.00 0.59 C ATOM 2003 CD2 PHE B 24 1.466 -1.025 -9.232 1.00 0.51 C ATOM 2004 CE1 PHE B 24 1.156 -1.315 -11.958 1.00 0.71 C ATOM 2005 CE2 PHE B 24 0.873 -0.017 -9.970 1.00 0.61 C ATOM 2006 CZ PHE B 24 0.720 -0.161 -11.334 1.00 0.70 C ATOM 0 H PHE B 24 5.132 -4.563 -7.863 1.00 0.25 H new ATOM 0 HA PHE B 24 4.356 -3.050 -10.160 1.00 0.28 H new ATOM 0 HB2 PHE B 24 2.188 -4.244 -9.391 1.00 0.36 H new ATOM 0 HB3 PHE B 24 2.258 -3.181 -8.000 1.00 0.36 H new ATOM 0 HD1 PHE B 24 2.089 -3.217 -11.709 1.00 0.59 H new ATOM 0 HD2 PHE B 24 1.586 -0.906 -8.165 1.00 0.51 H new ATOM 0 HE1 PHE B 24 1.034 -1.432 -13.025 1.00 0.71 H new ATOM 0 HE2 PHE B 24 0.530 0.882 -9.479 1.00 0.61 H new ATOM 0 HZ PHE B 24 0.260 0.626 -11.913 1.00 0.70 H new ATOM 2016 N VAL B 25 5.205 -1.154 -8.774 1.00 0.26 N ATOM 2017 CA VAL B 25 5.807 -0.085 -7.996 1.00 0.27 C ATOM 2018 C VAL B 25 4.895 1.136 -7.957 1.00 0.26 C ATOM 2019 O VAL B 25 4.176 1.419 -8.920 1.00 0.25 O ATOM 2020 CB VAL B 25 7.183 0.312 -8.576 1.00 0.34 C ATOM 2021 CG1 VAL B 25 7.929 1.245 -7.633 1.00 0.74 C ATOM 2022 CG2 VAL B 25 8.015 -0.927 -8.869 1.00 0.78 C ATOM 0 H VAL B 25 5.241 -1.012 -9.783 1.00 0.26 H new ATOM 0 HA VAL B 25 5.947 -0.454 -6.980 1.00 0.27 H new ATOM 0 HB VAL B 25 7.012 0.846 -9.511 1.00 0.34 H new ATOM 0 HG11 VAL B 25 8.893 1.507 -8.068 1.00 0.74 H new ATOM 0 HG12 VAL B 25 7.343 2.151 -7.478 1.00 0.74 H new ATOM 0 HG13 VAL B 25 8.086 0.746 -6.677 1.00 0.74 H new ATOM 0 HG21 VAL B 25 8.981 -0.629 -9.277 1.00 0.78 H new ATOM 0 HG22 VAL B 25 8.168 -1.489 -7.948 1.00 0.78 H new ATOM 0 HG23 VAL B 25 7.493 -1.553 -9.593 1.00 0.78 H new ATOM 2032 N ASP B 26 4.923 1.842 -6.832 1.00 0.27 N ATOM 2033 CA ASP B 26 4.117 3.041 -6.646 1.00 0.29 C ATOM 2034 C ASP B 26 4.588 4.144 -7.593 1.00 0.24 C ATOM 2035 O ASP B 26 5.686 4.076 -8.145 1.00 0.22 O ATOM 2036 CB ASP B 26 4.215 3.512 -5.194 1.00 0.39 C ATOM 2037 CG ASP B 26 3.069 4.410 -4.762 1.00 0.48 C ATOM 2038 OD1 ASP B 26 2.226 4.781 -5.607 1.00 0.78 O ATOM 2039 OD2 ASP B 26 3.011 4.757 -3.564 1.00 0.72 O ATOM 0 H ASP B 26 5.502 1.600 -6.028 1.00 0.27 H new ATOM 0 HA ASP B 26 3.076 2.809 -6.873 1.00 0.29 H new ATOM 0 HB2 ASP B 26 4.247 2.640 -4.540 1.00 0.39 H new ATOM 0 HB3 ASP B 26 5.155 4.047 -5.058 1.00 0.39 H new ATOM 2044 N HIS B 27 3.780 5.176 -7.745 1.00 0.26 N ATOM 2045 CA HIS B 27 4.105 6.272 -8.650 1.00 0.26 C ATOM 2046 C HIS B 27 4.742 7.439 -7.903 1.00 0.23 C ATOM 2047 O HIS B 27 4.691 8.582 -8.354 1.00 0.26 O ATOM 2048 CB HIS B 27 2.844 6.733 -9.388 1.00 0.34 C ATOM 2049 CG HIS B 27 2.243 5.668 -10.259 1.00 0.50 C ATOM 2050 ND1 HIS B 27 1.235 4.828 -9.836 1.00 0.70 N ATOM 2051 CD2 HIS B 27 2.527 5.298 -11.529 1.00 0.66 C ATOM 2052 CE1 HIS B 27 0.928 3.990 -10.805 1.00 0.86 C ATOM 2053 NE2 HIS B 27 1.696 4.252 -11.844 1.00 0.83 N ATOM 0 H HIS B 27 2.892 5.282 -7.255 1.00 0.26 H new ATOM 0 HA HIS B 27 4.831 5.908 -9.377 1.00 0.26 H new ATOM 0 HB2 HIS B 27 2.102 7.057 -8.658 1.00 0.34 H new ATOM 0 HB3 HIS B 27 3.087 7.600 -10.002 1.00 0.34 H new ATOM 0 HD2 HIS B 27 3.270 5.743 -12.175 1.00 0.66 H new ATOM 0 HE1 HIS B 27 0.174 3.218 -10.756 1.00 0.86 H new ATOM 0 HE2 HIS B 27 1.676 3.758 -12.736 1.00 0.83 H new ATOM 2062 N ARG B 28 5.360 7.147 -6.765 1.00 0.24 N ATOM 2063 CA ARG B 28 6.001 8.184 -5.963 1.00 0.27 C ATOM 2064 C ARG B 28 7.512 7.974 -5.893 1.00 0.24 C ATOM 2065 O ARG B 28 8.239 8.811 -5.360 1.00 0.28 O ATOM 2066 CB ARG B 28 5.416 8.194 -4.548 1.00 0.35 C ATOM 2067 CG ARG B 28 3.931 8.522 -4.492 1.00 0.48 C ATOM 2068 CD ARG B 28 3.312 8.036 -3.190 1.00 0.56 C ATOM 2069 NE ARG B 28 2.033 8.685 -2.895 1.00 0.99 N ATOM 2070 CZ ARG B 28 1.583 8.904 -1.658 1.00 1.26 C ATOM 2071 NH1 ARG B 28 2.304 8.514 -0.607 1.00 1.61 N ATOM 2072 NH2 ARG B 28 0.417 9.515 -1.468 1.00 1.87 N ATOM 0 H ARG B 28 5.431 6.206 -6.378 1.00 0.24 H new ATOM 0 HA ARG B 28 5.809 9.144 -6.442 1.00 0.27 H new ATOM 0 HB2 ARG B 28 5.579 7.217 -4.092 1.00 0.35 H new ATOM 0 HB3 ARG B 28 5.961 8.921 -3.946 1.00 0.35 H new ATOM 0 HG2 ARG B 28 3.789 9.599 -4.586 1.00 0.48 H new ATOM 0 HG3 ARG B 28 3.421 8.058 -5.336 1.00 0.48 H new ATOM 0 HD2 ARG B 28 3.164 6.957 -3.244 1.00 0.56 H new ATOM 0 HD3 ARG B 28 4.007 8.222 -2.371 1.00 0.56 H new ATOM 0 HE ARG B 28 1.454 8.986 -3.679 1.00 0.99 H new ATOM 0 HH11 ARG B 28 3.200 8.048 -0.748 1.00 1.61 H new ATOM 0 HH12 ARG B 28 1.960 8.682 0.338 1.00 1.61 H new ATOM 0 HH21 ARG B 28 -0.137 9.818 -2.269 1.00 1.87 H new ATOM 0 HH22 ARG B 28 0.076 9.681 -0.521 1.00 1.87 H new ATOM 2086 N CYS B 29 7.987 6.874 -6.464 1.00 0.21 N ATOM 2087 CA CYS B 29 9.412 6.549 -6.439 1.00 0.22 C ATOM 2088 C CYS B 29 10.240 7.548 -7.248 1.00 0.22 C ATOM 2089 O CYS B 29 11.417 7.783 -6.950 1.00 0.25 O ATOM 2090 CB CYS B 29 9.629 5.134 -6.974 1.00 0.27 C ATOM 2091 SG CYS B 29 8.970 4.872 -8.634 1.00 1.34 S ATOM 0 H CYS B 29 7.408 6.190 -6.951 1.00 0.21 H new ATOM 0 HA CYS B 29 9.748 6.607 -5.404 1.00 0.22 H new ATOM 0 HB2 CYS B 29 10.697 4.918 -6.979 1.00 0.27 H new ATOM 0 HB3 CYS B 29 9.163 4.423 -6.292 1.00 0.27 H new ATOM 0 HG CYS B 29 9.928 4.990 -9.505 1.00 1.34 H new ATOM 2097 N VAL B 30 9.609 8.145 -8.256 1.00 0.24 N ATOM 2098 CA VAL B 30 10.269 9.113 -9.129 1.00 0.31 C ATOM 2099 C VAL B 30 10.832 10.292 -8.337 1.00 0.33 C ATOM 2100 O VAL B 30 11.972 10.705 -8.548 1.00 0.38 O ATOM 2101 CB VAL B 30 9.301 9.642 -10.212 1.00 0.39 C ATOM 2102 CG1 VAL B 30 10.053 10.461 -11.250 1.00 1.01 C ATOM 2103 CG2 VAL B 30 8.552 8.492 -10.875 1.00 0.92 C ATOM 0 H VAL B 30 8.631 7.973 -8.490 1.00 0.24 H new ATOM 0 HA VAL B 30 11.094 8.588 -9.612 1.00 0.31 H new ATOM 0 HB VAL B 30 8.570 10.290 -9.728 1.00 0.39 H new ATOM 0 HG11 VAL B 30 9.354 10.824 -12.003 1.00 1.01 H new ATOM 0 HG12 VAL B 30 10.536 11.309 -10.764 1.00 1.01 H new ATOM 0 HG13 VAL B 30 10.809 9.838 -11.727 1.00 1.01 H new ATOM 0 HG21 VAL B 30 7.876 8.887 -11.634 1.00 0.92 H new ATOM 0 HG22 VAL B 30 9.266 7.814 -11.343 1.00 0.92 H new ATOM 0 HG23 VAL B 30 7.977 7.951 -10.123 1.00 0.92 H new ATOM 2113 N ALA B 31 10.043 10.805 -7.404 1.00 0.34 N ATOM 2114 CA ALA B 31 10.462 11.937 -6.588 1.00 0.40 C ATOM 2115 C ALA B 31 11.091 11.474 -5.279 1.00 0.39 C ATOM 2116 O ALA B 31 11.175 12.234 -4.316 1.00 0.45 O ATOM 2117 CB ALA B 31 9.281 12.854 -6.316 1.00 0.46 C ATOM 0 H ALA B 31 9.108 10.456 -7.193 1.00 0.34 H new ATOM 0 HA ALA B 31 11.219 12.491 -7.143 1.00 0.40 H new ATOM 0 HB1 ALA B 31 9.607 13.696 -5.705 1.00 0.46 H new ATOM 0 HB2 ALA B 31 8.882 13.224 -7.261 1.00 0.46 H new ATOM 0 HB3 ALA B 31 8.505 12.301 -5.787 1.00 0.46 H new ATOM 2123 N THR B 32 11.531 10.224 -5.251 1.00 0.36 N ATOM 2124 CA THR B 32 12.160 9.668 -4.066 1.00 0.38 C ATOM 2125 C THR B 32 13.603 9.261 -4.362 1.00 0.42 C ATOM 2126 O THR B 32 14.547 9.860 -3.844 1.00 0.48 O ATOM 2127 CB THR B 32 11.369 8.455 -3.533 1.00 0.37 C ATOM 2128 OG1 THR B 32 10.011 8.834 -3.266 1.00 0.36 O ATOM 2129 CG2 THR B 32 11.996 7.909 -2.261 1.00 0.44 C ATOM 0 H THR B 32 11.463 9.577 -6.037 1.00 0.36 H new ATOM 0 HA THR B 32 12.162 10.442 -3.298 1.00 0.38 H new ATOM 0 HB THR B 32 11.393 7.677 -4.296 1.00 0.37 H new ATOM 0 HG1 THR B 32 9.459 8.648 -4.054 1.00 0.36 H new ATOM 0 HG21 THR B 32 11.418 7.055 -1.908 1.00 0.44 H new ATOM 0 HG22 THR B 32 13.019 7.595 -2.466 1.00 0.44 H new ATOM 0 HG23 THR B 32 12.001 8.685 -1.496 1.00 0.44 H new ATOM 2137 N VAL B 33 13.774 8.256 -5.214 1.00 0.42 N ATOM 2138 CA VAL B 33 15.106 7.781 -5.565 1.00 0.52 C ATOM 2139 C VAL B 33 15.422 8.049 -7.031 1.00 0.57 C ATOM 2140 O VAL B 33 16.558 7.871 -7.472 1.00 0.99 O ATOM 2141 CB VAL B 33 15.270 6.274 -5.277 1.00 0.56 C ATOM 2142 CG1 VAL B 33 15.373 6.028 -3.780 1.00 0.67 C ATOM 2143 CG2 VAL B 33 14.120 5.474 -5.873 1.00 0.51 C ATOM 0 H VAL B 33 13.011 7.757 -5.672 1.00 0.42 H new ATOM 0 HA VAL B 33 15.807 8.335 -4.941 1.00 0.52 H new ATOM 0 HB VAL B 33 16.193 5.938 -5.749 1.00 0.56 H new ATOM 0 HG11 VAL B 33 15.488 4.960 -3.594 1.00 0.67 H new ATOM 0 HG12 VAL B 33 16.237 6.561 -3.382 1.00 0.67 H new ATOM 0 HG13 VAL B 33 14.468 6.386 -3.289 1.00 0.67 H new ATOM 0 HG21 VAL B 33 14.262 4.415 -5.655 1.00 0.51 H new ATOM 0 HG22 VAL B 33 13.179 5.811 -5.439 1.00 0.51 H new ATOM 0 HG23 VAL B 33 14.095 5.622 -6.953 1.00 0.51 H new ATOM 2153 N GLY B 34 14.412 8.471 -7.780 1.00 0.36 N ATOM 2154 CA GLY B 34 14.600 8.759 -9.189 1.00 0.38 C ATOM 2155 C GLY B 34 14.325 7.552 -10.063 1.00 0.33 C ATOM 2156 O GLY B 34 14.097 7.683 -11.266 1.00 0.38 O ATOM 0 H GLY B 34 13.463 8.619 -7.436 1.00 0.36 H new ATOM 0 HA2 GLY B 34 13.940 9.575 -9.482 1.00 0.38 H new ATOM 0 HA3 GLY B 34 15.622 9.100 -9.355 1.00 0.38 H new ATOM 2160 N TYR B 35 14.344 6.377 -9.453 1.00 0.32 N ATOM 2161 CA TYR B 35 14.102 5.134 -10.170 1.00 0.31 C ATOM 2162 C TYR B 35 12.651 5.037 -10.616 1.00 0.29 C ATOM 2163 O TYR B 35 11.730 5.310 -9.842 1.00 0.35 O ATOM 2164 CB TYR B 35 14.451 3.932 -9.292 1.00 0.33 C ATOM 2165 CG TYR B 35 15.865 3.434 -9.474 1.00 0.30 C ATOM 2166 CD1 TYR B 35 16.193 2.597 -10.531 1.00 0.39 C ATOM 2167 CD2 TYR B 35 16.870 3.800 -8.591 1.00 0.30 C ATOM 2168 CE1 TYR B 35 17.485 2.140 -10.704 1.00 0.39 C ATOM 2169 CE2 TYR B 35 18.163 3.346 -8.758 1.00 0.30 C ATOM 2170 CZ TYR B 35 18.465 2.517 -9.815 1.00 0.30 C ATOM 2171 OH TYR B 35 19.755 2.069 -9.987 1.00 0.34 O ATOM 0 H TYR B 35 14.526 6.258 -8.456 1.00 0.32 H new ATOM 0 HA TYR B 35 14.741 5.129 -11.053 1.00 0.31 H new ATOM 0 HB2 TYR B 35 14.303 4.202 -8.247 1.00 0.33 H new ATOM 0 HB3 TYR B 35 13.758 3.120 -9.512 1.00 0.33 H new ATOM 0 HD1 TYR B 35 15.426 2.298 -11.230 1.00 0.39 H new ATOM 0 HD2 TYR B 35 16.638 4.450 -7.760 1.00 0.30 H new ATOM 0 HE1 TYR B 35 17.725 1.490 -11.533 1.00 0.39 H new ATOM 0 HE2 TYR B 35 18.935 3.640 -8.062 1.00 0.30 H new ATOM 0 HH TYR B 35 19.808 1.122 -9.741 1.00 0.34 H new ATOM 2181 N GLN B 36 12.455 4.663 -11.868 1.00 0.30 N ATOM 2182 CA GLN B 36 11.119 4.513 -12.420 1.00 0.31 C ATOM 2183 C GLN B 36 10.555 3.153 -12.021 1.00 0.30 C ATOM 2184 O GLN B 36 11.315 2.216 -11.776 1.00 0.35 O ATOM 2185 CB GLN B 36 11.151 4.646 -13.946 1.00 0.40 C ATOM 2186 CG GLN B 36 11.808 5.927 -14.440 1.00 0.42 C ATOM 2187 CD GLN B 36 11.128 7.177 -13.918 1.00 0.81 C ATOM 2188 OE1 GLN B 36 11.611 7.695 -12.800 1.00 1.63 O flip ATOM 2189 NE2 GLN B 36 10.179 7.679 -14.517 1.00 1.29 N flip ATOM 0 H GLN B 36 13.208 4.457 -12.525 1.00 0.30 H new ATOM 0 HA GLN B 36 10.479 5.300 -12.022 1.00 0.31 H new ATOM 0 HB2 GLN B 36 11.683 3.792 -14.364 1.00 0.40 H new ATOM 0 HB3 GLN B 36 10.130 4.603 -14.326 1.00 0.40 H new ATOM 0 HG2 GLN B 36 12.854 5.934 -14.135 1.00 0.42 H new ATOM 0 HG3 GLN B 36 11.794 5.940 -15.530 1.00 0.42 H new ATOM 0 HE21 GLN B 36 9.834 7.251 -15.376 1.00 1.29 H new ATOM 0 HE22 GLN B 36 9.736 8.524 -14.155 1.00 1.29 H new ATOM 2198 N PRO B 37 9.220 3.021 -11.942 1.00 0.33 N ATOM 2199 CA PRO B 37 8.570 1.760 -11.561 1.00 0.35 C ATOM 2200 C PRO B 37 9.039 0.584 -12.414 1.00 0.31 C ATOM 2201 O PRO B 37 9.333 -0.494 -11.899 1.00 0.30 O ATOM 2202 CB PRO B 37 7.083 2.040 -11.799 1.00 0.43 C ATOM 2203 CG PRO B 37 6.954 3.518 -11.676 1.00 0.49 C ATOM 2204 CD PRO B 37 8.236 4.088 -12.211 1.00 0.40 C ATOM 0 HA PRO B 37 8.803 1.475 -10.535 1.00 0.35 H new ATOM 0 HB2 PRO B 37 6.768 1.695 -12.784 1.00 0.43 H new ATOM 0 HB3 PRO B 37 6.461 1.526 -11.067 1.00 0.43 H new ATOM 0 HG2 PRO B 37 6.097 3.884 -12.242 1.00 0.49 H new ATOM 0 HG3 PRO B 37 6.799 3.812 -10.638 1.00 0.49 H new ATOM 0 HD2 PRO B 37 8.164 4.310 -13.276 1.00 0.40 H new ATOM 0 HD3 PRO B 37 8.503 5.018 -11.709 1.00 0.40 H new ATOM 2212 N GLN B 38 9.154 0.817 -13.717 1.00 0.33 N ATOM 2213 CA GLN B 38 9.574 -0.219 -14.659 1.00 0.35 C ATOM 2214 C GLN B 38 11.005 -0.691 -14.392 1.00 0.34 C ATOM 2215 O GLN B 38 11.405 -1.764 -14.846 1.00 0.33 O ATOM 2216 CB GLN B 38 9.463 0.288 -16.101 1.00 0.46 C ATOM 2217 CG GLN B 38 8.032 0.475 -16.589 1.00 0.57 C ATOM 2218 CD GLN B 38 7.355 1.693 -15.988 1.00 1.14 C ATOM 2219 OE1 GLN B 38 8.016 2.655 -15.593 1.00 2.03 O ATOM 2220 NE2 GLN B 38 6.034 1.662 -15.915 1.00 1.34 N ATOM 0 H GLN B 38 8.961 1.721 -14.149 1.00 0.33 H new ATOM 0 HA GLN B 38 8.906 -1.068 -14.517 1.00 0.35 H new ATOM 0 HB2 GLN B 38 9.990 1.239 -16.181 1.00 0.46 H new ATOM 0 HB3 GLN B 38 9.971 -0.415 -16.761 1.00 0.46 H new ATOM 0 HG2 GLN B 38 8.033 0.566 -17.675 1.00 0.57 H new ATOM 0 HG3 GLN B 38 7.451 -0.414 -16.344 1.00 0.57 H new ATOM 0 HE21 GLN B 38 5.524 0.846 -16.253 1.00 1.34 H new ATOM 0 HE22 GLN B 38 5.526 2.454 -15.521 1.00 1.34 H new ATOM 2229 N GLU B 39 11.770 0.103 -13.655 1.00 0.39 N ATOM 2230 CA GLU B 39 13.150 -0.245 -13.338 1.00 0.44 C ATOM 2231 C GLU B 39 13.205 -1.241 -12.184 1.00 0.44 C ATOM 2232 O GLU B 39 14.157 -2.008 -12.059 1.00 0.53 O ATOM 2233 CB GLU B 39 13.957 1.004 -12.979 1.00 0.55 C ATOM 2234 CG GLU B 39 14.148 1.970 -14.138 1.00 0.59 C ATOM 2235 CD GLU B 39 15.099 3.099 -13.798 1.00 1.16 C ATOM 2236 OE1 GLU B 39 16.328 2.905 -13.920 1.00 1.59 O ATOM 2237 OE2 GLU B 39 14.624 4.184 -13.406 1.00 1.69 O ATOM 0 H GLU B 39 11.459 0.993 -13.265 1.00 0.39 H new ATOM 0 HA GLU B 39 13.588 -0.705 -14.224 1.00 0.44 H new ATOM 0 HB2 GLU B 39 13.457 1.526 -12.163 1.00 0.55 H new ATOM 0 HB3 GLU B 39 14.936 0.698 -12.609 1.00 0.55 H new ATOM 0 HG2 GLU B 39 14.529 1.426 -15.002 1.00 0.59 H new ATOM 0 HG3 GLU B 39 13.182 2.386 -14.424 1.00 0.59 H new ATOM 2244 N LEU B 40 12.180 -1.221 -11.340 1.00 0.41 N ATOM 2245 CA LEU B 40 12.119 -2.125 -10.198 1.00 0.44 C ATOM 2246 C LEU B 40 11.238 -3.330 -10.507 1.00 0.40 C ATOM 2247 O LEU B 40 11.326 -4.363 -9.843 1.00 0.45 O ATOM 2248 CB LEU B 40 11.585 -1.401 -8.957 1.00 0.50 C ATOM 2249 CG LEU B 40 12.622 -0.611 -8.150 1.00 0.53 C ATOM 2250 CD1 LEU B 40 13.881 -1.437 -7.935 1.00 1.10 C ATOM 2251 CD2 LEU B 40 12.952 0.705 -8.837 1.00 1.24 C ATOM 0 H LEU B 40 11.382 -0.591 -11.424 1.00 0.41 H new ATOM 0 HA LEU B 40 13.133 -2.471 -9.996 1.00 0.44 H new ATOM 0 HB2 LEU B 40 10.797 -0.716 -9.270 1.00 0.50 H new ATOM 0 HB3 LEU B 40 11.125 -2.138 -8.299 1.00 0.50 H new ATOM 0 HG LEU B 40 12.192 -0.386 -7.174 1.00 0.53 H new ATOM 0 HD11 LEU B 40 14.603 -0.857 -7.360 1.00 1.10 H new ATOM 0 HD12 LEU B 40 13.630 -2.347 -7.390 1.00 1.10 H new ATOM 0 HD13 LEU B 40 14.313 -1.700 -8.901 1.00 1.10 H new ATOM 0 HD21 LEU B 40 13.690 1.249 -8.247 1.00 1.24 H new ATOM 0 HD22 LEU B 40 13.357 0.506 -9.829 1.00 1.24 H new ATOM 0 HD23 LEU B 40 12.047 1.305 -8.928 1.00 1.24 H new ATOM 2263 N LEU B 41 10.385 -3.186 -11.513 1.00 0.34 N ATOM 2264 CA LEU B 41 9.483 -4.258 -11.920 1.00 0.34 C ATOM 2265 C LEU B 41 10.265 -5.492 -12.352 1.00 0.38 C ATOM 2266 O LEU B 41 10.958 -5.477 -13.370 1.00 0.43 O ATOM 2267 CB LEU B 41 8.580 -3.792 -13.067 1.00 0.29 C ATOM 2268 CG LEU B 41 7.481 -2.805 -12.676 1.00 0.28 C ATOM 2269 CD1 LEU B 41 6.710 -2.356 -13.906 1.00 0.30 C ATOM 2270 CD2 LEU B 41 6.539 -3.429 -11.660 1.00 0.30 C ATOM 0 H LEU B 41 10.298 -2.333 -12.065 1.00 0.34 H new ATOM 0 HA LEU B 41 8.865 -4.519 -11.061 1.00 0.34 H new ATOM 0 HB2 LEU B 41 9.203 -3.331 -13.833 1.00 0.29 H new ATOM 0 HB3 LEU B 41 8.114 -4.668 -13.519 1.00 0.29 H new ATOM 0 HG LEU B 41 7.949 -1.932 -12.221 1.00 0.28 H new ATOM 0 HD11 LEU B 41 5.931 -1.653 -13.611 1.00 0.30 H new ATOM 0 HD12 LEU B 41 7.391 -1.870 -14.605 1.00 0.30 H new ATOM 0 HD13 LEU B 41 6.254 -3.222 -14.386 1.00 0.30 H new ATOM 0 HD21 LEU B 41 5.763 -2.711 -11.394 1.00 0.30 H new ATOM 0 HD22 LEU B 41 6.078 -4.319 -12.089 1.00 0.30 H new ATOM 0 HD23 LEU B 41 7.099 -3.706 -10.767 1.00 0.30 H new ATOM 2282 N GLY B 42 10.159 -6.554 -11.568 1.00 0.43 N ATOM 2283 CA GLY B 42 10.856 -7.784 -11.885 1.00 0.51 C ATOM 2284 C GLY B 42 12.260 -7.821 -11.315 1.00 0.49 C ATOM 2285 O GLY B 42 13.027 -8.742 -11.599 1.00 0.53 O ATOM 0 H GLY B 42 9.601 -6.586 -10.715 1.00 0.43 H new ATOM 0 HA2 GLY B 42 10.288 -8.630 -11.497 1.00 0.51 H new ATOM 0 HA3 GLY B 42 10.904 -7.902 -12.968 1.00 0.51 H new ATOM 2289 N LYS B 43 12.599 -6.816 -10.516 1.00 0.46 N ATOM 2290 CA LYS B 43 13.915 -6.739 -9.899 1.00 0.47 C ATOM 2291 C LYS B 43 13.798 -6.914 -8.392 1.00 0.40 C ATOM 2292 O LYS B 43 12.714 -6.756 -7.824 1.00 0.50 O ATOM 2293 CB LYS B 43 14.593 -5.401 -10.220 1.00 0.57 C ATOM 2294 CG LYS B 43 15.199 -5.331 -11.617 1.00 0.73 C ATOM 2295 CD LYS B 43 16.502 -6.117 -11.713 1.00 0.81 C ATOM 2296 CE LYS B 43 16.252 -7.592 -11.993 1.00 1.70 C ATOM 2297 NZ LYS B 43 17.388 -8.440 -11.553 1.00 2.45 N ATOM 0 H LYS B 43 11.978 -6.042 -10.281 1.00 0.46 H new ATOM 0 HA LYS B 43 14.529 -7.542 -10.306 1.00 0.47 H new ATOM 0 HB2 LYS B 43 13.862 -4.600 -10.112 1.00 0.57 H new ATOM 0 HB3 LYS B 43 15.377 -5.218 -9.486 1.00 0.57 H new ATOM 0 HG2 LYS B 43 14.485 -5.722 -12.342 1.00 0.73 H new ATOM 0 HG3 LYS B 43 15.383 -4.290 -11.881 1.00 0.73 H new ATOM 0 HD2 LYS B 43 17.123 -5.697 -12.504 1.00 0.81 H new ATOM 0 HD3 LYS B 43 17.059 -6.013 -10.782 1.00 0.81 H new ATOM 0 HE2 LYS B 43 15.343 -7.909 -11.482 1.00 1.70 H new ATOM 0 HE3 LYS B 43 16.084 -7.735 -13.060 1.00 1.70 H new ATOM 0 HZ1 LYS B 43 17.378 -9.335 -12.082 1.00 2.45 H new ATOM 0 HZ2 LYS B 43 18.283 -7.942 -11.733 1.00 2.45 H new ATOM 0 HZ3 LYS B 43 17.300 -8.638 -10.536 1.00 2.45 H new ATOM 2311 N ASN B 44 14.906 -7.257 -7.752 1.00 0.32 N ATOM 2312 CA ASN B 44 14.923 -7.451 -6.311 1.00 0.29 C ATOM 2313 C ASN B 44 15.313 -6.159 -5.614 1.00 0.28 C ATOM 2314 O ASN B 44 16.287 -5.512 -5.996 1.00 0.30 O ATOM 2315 CB ASN B 44 15.924 -8.541 -5.909 1.00 0.30 C ATOM 2316 CG ASN B 44 15.590 -9.913 -6.458 1.00 0.91 C ATOM 2317 OD1 ASN B 44 15.988 -10.265 -7.568 1.00 1.92 O ATOM 2318 ND2 ASN B 44 14.880 -10.711 -5.678 1.00 0.70 N ATOM 0 H ASN B 44 15.806 -7.407 -8.209 1.00 0.32 H new ATOM 0 HA ASN B 44 13.921 -7.756 -6.010 1.00 0.29 H new ATOM 0 HB2 ASN B 44 16.917 -8.254 -6.255 1.00 0.30 H new ATOM 0 HB3 ASN B 44 15.969 -8.597 -4.821 1.00 0.30 H new ATOM 0 HD21 ASN B 44 14.645 -11.653 -5.991 1.00 0.70 H new ATOM 0 HD22 ASN B 44 14.567 -10.384 -4.764 1.00 0.70 H new ATOM 2325 N ILE B 45 14.563 -5.792 -4.586 1.00 0.25 N ATOM 2326 CA ILE B 45 14.855 -4.585 -3.820 1.00 0.25 C ATOM 2327 C ILE B 45 16.234 -4.696 -3.159 1.00 0.24 C ATOM 2328 O ILE B 45 16.884 -3.695 -2.866 1.00 0.31 O ATOM 2329 CB ILE B 45 13.773 -4.333 -2.741 1.00 0.25 C ATOM 2330 CG1 ILE B 45 14.034 -3.019 -1.996 1.00 0.27 C ATOM 2331 CG2 ILE B 45 13.710 -5.497 -1.763 1.00 0.24 C ATOM 2332 CD1 ILE B 45 12.901 -2.608 -1.081 1.00 0.28 C ATOM 0 H ILE B 45 13.747 -6.311 -4.261 1.00 0.25 H new ATOM 0 HA ILE B 45 14.854 -3.741 -4.510 1.00 0.25 H new ATOM 0 HB ILE B 45 12.810 -4.251 -3.244 1.00 0.25 H new ATOM 0 HG12 ILE B 45 14.947 -3.119 -1.409 1.00 0.27 H new ATOM 0 HG13 ILE B 45 14.208 -2.226 -2.724 1.00 0.27 H new ATOM 0 HG21 ILE B 45 12.944 -5.301 -1.013 1.00 0.24 H new ATOM 0 HG22 ILE B 45 13.464 -6.412 -2.302 1.00 0.24 H new ATOM 0 HG23 ILE B 45 14.677 -5.613 -1.273 1.00 0.24 H new ATOM 0 HD11 ILE B 45 13.154 -1.670 -0.587 1.00 0.28 H new ATOM 0 HD12 ILE B 45 11.991 -2.476 -1.666 1.00 0.28 H new ATOM 0 HD13 ILE B 45 12.741 -3.382 -0.330 1.00 0.28 H new ATOM 2344 N VAL B 46 16.684 -5.932 -2.965 1.00 0.21 N ATOM 2345 CA VAL B 46 17.974 -6.201 -2.344 1.00 0.23 C ATOM 2346 C VAL B 46 19.126 -5.924 -3.319 1.00 0.23 C ATOM 2347 O VAL B 46 20.272 -5.738 -2.906 1.00 0.29 O ATOM 2348 CB VAL B 46 18.041 -7.661 -1.831 1.00 0.26 C ATOM 2349 CG1 VAL B 46 18.039 -8.650 -2.984 1.00 1.08 C ATOM 2350 CG2 VAL B 46 19.253 -7.876 -0.940 1.00 1.15 C ATOM 0 H VAL B 46 16.167 -6.770 -3.232 1.00 0.21 H new ATOM 0 HA VAL B 46 18.081 -5.528 -1.493 1.00 0.23 H new ATOM 0 HB VAL B 46 17.147 -7.839 -1.233 1.00 0.26 H new ATOM 0 HG11 VAL B 46 18.087 -9.666 -2.592 1.00 1.08 H new ATOM 0 HG12 VAL B 46 17.126 -8.528 -3.566 1.00 1.08 H new ATOM 0 HG13 VAL B 46 18.903 -8.466 -3.622 1.00 1.08 H new ATOM 0 HG21 VAL B 46 19.273 -8.910 -0.596 1.00 1.15 H new ATOM 0 HG22 VAL B 46 20.161 -7.664 -1.504 1.00 1.15 H new ATOM 0 HG23 VAL B 46 19.196 -7.208 -0.080 1.00 1.15 H new ATOM 2360 N GLU B 47 18.817 -5.870 -4.612 1.00 0.23 N ATOM 2361 CA GLU B 47 19.831 -5.611 -5.632 1.00 0.27 C ATOM 2362 C GLU B 47 20.302 -4.165 -5.560 1.00 0.25 C ATOM 2363 O GLU B 47 21.499 -3.882 -5.631 1.00 0.35 O ATOM 2364 CB GLU B 47 19.280 -5.887 -7.031 1.00 0.34 C ATOM 2365 CG GLU B 47 19.143 -7.361 -7.367 1.00 0.42 C ATOM 2366 CD GLU B 47 18.578 -7.576 -8.755 1.00 1.07 C ATOM 2367 OE1 GLU B 47 19.362 -7.588 -9.730 1.00 1.06 O ATOM 2368 OE2 GLU B 47 17.350 -7.732 -8.886 1.00 1.96 O ATOM 0 H GLU B 47 17.874 -6.002 -4.978 1.00 0.23 H new ATOM 0 HA GLU B 47 20.671 -6.279 -5.440 1.00 0.27 H new ATOM 0 HB2 GLU B 47 18.303 -5.412 -7.125 1.00 0.34 H new ATOM 0 HB3 GLU B 47 19.934 -5.418 -7.766 1.00 0.34 H new ATOM 0 HG2 GLU B 47 20.119 -7.842 -7.294 1.00 0.42 H new ATOM 0 HG3 GLU B 47 18.495 -7.841 -6.634 1.00 0.42 H new ATOM 2375 N PHE B 48 19.346 -3.261 -5.391 1.00 0.22 N ATOM 2376 CA PHE B 48 19.630 -1.833 -5.317 1.00 0.26 C ATOM 2377 C PHE B 48 19.769 -1.391 -3.865 1.00 0.26 C ATOM 2378 O PHE B 48 19.536 -0.231 -3.525 1.00 0.33 O ATOM 2379 CB PHE B 48 18.519 -1.041 -6.013 1.00 0.32 C ATOM 2380 CG PHE B 48 18.260 -1.487 -7.424 1.00 0.35 C ATOM 2381 CD1 PHE B 48 17.335 -2.483 -7.691 1.00 0.39 C ATOM 2382 CD2 PHE B 48 18.944 -0.913 -8.483 1.00 0.40 C ATOM 2383 CE1 PHE B 48 17.097 -2.898 -8.987 1.00 0.45 C ATOM 2384 CE2 PHE B 48 18.710 -1.324 -9.782 1.00 0.45 C ATOM 2385 CZ PHE B 48 17.785 -2.318 -10.033 1.00 0.46 C ATOM 0 H PHE B 48 18.357 -3.494 -5.302 1.00 0.22 H new ATOM 0 HA PHE B 48 20.573 -1.637 -5.826 1.00 0.26 H new ATOM 0 HB2 PHE B 48 17.599 -1.136 -5.436 1.00 0.32 H new ATOM 0 HB3 PHE B 48 18.785 0.016 -6.017 1.00 0.32 H new ATOM 0 HD1 PHE B 48 16.793 -2.941 -6.876 1.00 0.39 H new ATOM 0 HD2 PHE B 48 19.669 -0.135 -8.292 1.00 0.40 H new ATOM 0 HE1 PHE B 48 16.373 -3.676 -9.181 1.00 0.45 H new ATOM 0 HE2 PHE B 48 19.250 -0.868 -10.599 1.00 0.45 H new ATOM 0 HZ PHE B 48 17.600 -2.641 -11.047 1.00 0.46 H new ATOM 2395 N CYS B 49 20.153 -2.327 -3.016 1.00 0.23 N ATOM 2396 CA CYS B 49 20.333 -2.049 -1.603 1.00 0.28 C ATOM 2397 C CYS B 49 21.812 -2.103 -1.243 1.00 0.30 C ATOM 2398 O CYS B 49 22.583 -2.844 -1.862 1.00 0.38 O ATOM 2399 CB CYS B 49 19.542 -3.056 -0.761 1.00 0.31 C ATOM 2400 SG CYS B 49 19.655 -2.789 1.024 1.00 1.17 S ATOM 0 H CYS B 49 20.347 -3.292 -3.283 1.00 0.23 H new ATOM 0 HA CYS B 49 19.958 -1.048 -1.390 1.00 0.28 H new ATOM 0 HB2 CYS B 49 18.494 -3.014 -1.057 1.00 0.31 H new ATOM 0 HB3 CYS B 49 19.898 -4.061 -0.989 1.00 0.31 H new ATOM 0 HG CYS B 49 18.826 -1.852 1.376 1.00 1.17 H new ATOM 2406 N HIS B 50 22.199 -1.298 -0.261 1.00 0.32 N ATOM 2407 CA HIS B 50 23.576 -1.248 0.207 1.00 0.38 C ATOM 2408 C HIS B 50 23.997 -2.627 0.710 1.00 0.32 C ATOM 2409 O HIS B 50 23.296 -3.225 1.515 1.00 0.31 O ATOM 2410 CB HIS B 50 23.684 -0.199 1.320 1.00 0.54 C ATOM 2411 CG HIS B 50 25.055 -0.011 1.891 1.00 0.41 C ATOM 2412 ND1 HIS B 50 25.302 -0.018 3.244 1.00 1.06 N ATOM 2413 CD2 HIS B 50 26.249 0.217 1.294 1.00 1.18 C ATOM 2414 CE1 HIS B 50 26.584 0.195 3.457 1.00 0.87 C ATOM 2415 NE2 HIS B 50 27.182 0.340 2.290 1.00 1.08 N ATOM 0 H HIS B 50 21.569 -0.664 0.231 1.00 0.32 H new ATOM 0 HA HIS B 50 24.243 -0.967 -0.608 1.00 0.38 H new ATOM 0 HB2 HIS B 50 23.336 0.758 0.930 1.00 0.54 H new ATOM 0 HB3 HIS B 50 23.007 -0.479 2.127 1.00 0.54 H new ATOM 0 HD1 HIS B 50 24.601 -0.165 3.970 1.00 1.06 H new ATOM 0 HD2 HIS B 50 26.432 0.288 0.232 1.00 1.18 H new ATOM 0 HE1 HIS B 50 27.064 0.243 4.423 1.00 0.87 H new ATOM 2424 N PRO B 51 25.132 -3.151 0.213 1.00 0.35 N ATOM 2425 CA PRO B 51 25.661 -4.470 0.588 1.00 0.38 C ATOM 2426 C PRO B 51 25.496 -4.821 2.069 1.00 0.36 C ATOM 2427 O PRO B 51 24.858 -5.818 2.405 1.00 0.46 O ATOM 2428 CB PRO B 51 27.135 -4.344 0.226 1.00 0.47 C ATOM 2429 CG PRO B 51 27.143 -3.458 -0.968 1.00 0.72 C ATOM 2430 CD PRO B 51 25.993 -2.497 -0.793 1.00 0.44 C ATOM 0 HA PRO B 51 25.126 -5.273 0.081 1.00 0.38 H new ATOM 0 HB2 PRO B 51 27.711 -3.913 1.045 1.00 0.47 H new ATOM 0 HB3 PRO B 51 27.575 -5.316 0.004 1.00 0.47 H new ATOM 0 HG2 PRO B 51 28.089 -2.922 -1.047 1.00 0.72 H new ATOM 0 HG3 PRO B 51 27.028 -4.039 -1.883 1.00 0.72 H new ATOM 0 HD2 PRO B 51 26.337 -1.521 -0.450 1.00 0.44 H new ATOM 0 HD3 PRO B 51 25.461 -2.336 -1.730 1.00 0.44 H new ATOM 2438 N GLU B 52 26.047 -3.994 2.952 1.00 0.37 N ATOM 2439 CA GLU B 52 25.969 -4.240 4.395 1.00 0.38 C ATOM 2440 C GLU B 52 24.540 -4.117 4.940 1.00 0.37 C ATOM 2441 O GLU B 52 24.283 -4.449 6.098 1.00 0.40 O ATOM 2442 CB GLU B 52 26.895 -3.284 5.150 1.00 0.45 C ATOM 2443 CG GLU B 52 28.365 -3.448 4.792 1.00 0.78 C ATOM 2444 CD GLU B 52 28.826 -2.445 3.758 1.00 1.36 C ATOM 2445 OE1 GLU B 52 28.290 -2.457 2.631 1.00 2.04 O ATOM 2446 OE2 GLU B 52 29.720 -1.631 4.070 1.00 1.70 O ATOM 0 H GLU B 52 26.553 -3.146 2.697 1.00 0.37 H new ATOM 0 HA GLU B 52 26.291 -5.269 4.555 1.00 0.38 H new ATOM 0 HB2 GLU B 52 26.592 -2.258 4.942 1.00 0.45 H new ATOM 0 HB3 GLU B 52 26.771 -3.442 6.221 1.00 0.45 H new ATOM 0 HG2 GLU B 52 28.969 -3.340 5.693 1.00 0.78 H new ATOM 0 HG3 GLU B 52 28.533 -4.457 4.415 1.00 0.78 H new ATOM 2453 N ASP B 53 23.610 -3.663 4.113 1.00 0.36 N ATOM 2454 CA ASP B 53 22.220 -3.509 4.536 1.00 0.37 C ATOM 2455 C ASP B 53 21.323 -4.504 3.808 1.00 0.38 C ATOM 2456 O ASP B 53 20.116 -4.565 4.050 1.00 0.42 O ATOM 2457 CB ASP B 53 21.730 -2.081 4.275 1.00 0.47 C ATOM 2458 CG ASP B 53 22.348 -1.068 5.216 1.00 0.48 C ATOM 2459 OD1 ASP B 53 21.984 -1.053 6.408 1.00 1.09 O ATOM 2460 OD2 ASP B 53 23.205 -0.278 4.766 1.00 1.10 O ATOM 0 H ASP B 53 23.789 -3.394 3.146 1.00 0.36 H new ATOM 0 HA ASP B 53 22.171 -3.708 5.607 1.00 0.37 H new ATOM 0 HB2 ASP B 53 21.962 -1.804 3.247 1.00 0.47 H new ATOM 0 HB3 ASP B 53 20.645 -2.050 4.376 1.00 0.47 H new ATOM 2465 N GLN B 54 21.924 -5.298 2.927 1.00 0.41 N ATOM 2466 CA GLN B 54 21.188 -6.288 2.150 1.00 0.47 C ATOM 2467 C GLN B 54 20.617 -7.380 3.044 1.00 0.50 C ATOM 2468 O GLN B 54 19.425 -7.688 2.977 1.00 0.53 O ATOM 2469 CB GLN B 54 22.087 -6.904 1.081 1.00 0.56 C ATOM 2470 CG GLN B 54 22.353 -5.973 -0.086 1.00 0.65 C ATOM 2471 CD GLN B 54 23.255 -6.590 -1.135 1.00 0.69 C ATOM 2472 OE1 GLN B 54 24.119 -7.408 -0.825 1.00 1.10 O ATOM 2473 NE2 GLN B 54 23.045 -6.215 -2.384 1.00 0.80 N ATOM 0 H GLN B 54 22.925 -5.274 2.733 1.00 0.41 H new ATOM 0 HA GLN B 54 20.357 -5.777 1.664 1.00 0.47 H new ATOM 0 HB2 GLN B 54 23.037 -7.188 1.534 1.00 0.56 H new ATOM 0 HB3 GLN B 54 21.625 -7.818 0.710 1.00 0.56 H new ATOM 0 HG2 GLN B 54 21.405 -5.695 -0.547 1.00 0.65 H new ATOM 0 HG3 GLN B 54 22.809 -5.055 0.284 1.00 0.65 H new ATOM 0 HE21 GLN B 54 22.317 -5.533 -2.596 1.00 0.80 H new ATOM 0 HE22 GLN B 54 23.611 -6.607 -3.136 1.00 0.80 H new ATOM 2482 N GLN B 55 21.462 -7.957 3.891 1.00 0.54 N ATOM 2483 CA GLN B 55 21.021 -9.008 4.797 1.00 0.61 C ATOM 2484 C GLN B 55 20.050 -8.424 5.817 1.00 0.52 C ATOM 2485 O GLN B 55 19.160 -9.114 6.311 1.00 0.52 O ATOM 2486 CB GLN B 55 22.223 -9.667 5.485 1.00 0.76 C ATOM 2487 CG GLN B 55 21.857 -10.751 6.492 1.00 1.33 C ATOM 2488 CD GLN B 55 20.908 -11.806 5.941 1.00 1.73 C ATOM 2489 OE1 GLN B 55 20.903 -12.108 4.748 1.00 2.72 O ATOM 2490 NE2 GLN B 55 20.101 -12.380 6.819 1.00 1.51 N ATOM 0 H GLN B 55 22.450 -7.716 3.968 1.00 0.54 H new ATOM 0 HA GLN B 55 20.505 -9.782 4.229 1.00 0.61 H new ATOM 0 HB2 GLN B 55 22.870 -10.100 4.722 1.00 0.76 H new ATOM 0 HB3 GLN B 55 22.802 -8.896 5.994 1.00 0.76 H new ATOM 0 HG2 GLN B 55 22.770 -11.239 6.834 1.00 1.33 H new ATOM 0 HG3 GLN B 55 21.400 -10.284 7.364 1.00 1.33 H new ATOM 0 HE21 GLN B 55 20.135 -12.103 7.800 1.00 1.51 H new ATOM 0 HE22 GLN B 55 19.445 -13.100 6.515 1.00 1.51 H new ATOM 2499 N LEU B 56 20.215 -7.138 6.107 1.00 0.51 N ATOM 2500 CA LEU B 56 19.335 -6.443 7.036 1.00 0.51 C ATOM 2501 C LEU B 56 17.920 -6.430 6.471 1.00 0.42 C ATOM 2502 O LEU B 56 16.950 -6.720 7.175 1.00 0.42 O ATOM 2503 CB LEU B 56 19.830 -5.011 7.274 1.00 0.60 C ATOM 2504 CG LEU B 56 18.855 -4.094 8.019 1.00 0.63 C ATOM 2505 CD1 LEU B 56 18.613 -4.603 9.433 1.00 1.29 C ATOM 2506 CD2 LEU B 56 19.382 -2.663 8.039 1.00 1.42 C ATOM 0 H LEU B 56 20.952 -6.556 5.710 1.00 0.51 H new ATOM 0 HA LEU B 56 19.337 -6.964 7.993 1.00 0.51 H new ATOM 0 HB2 LEU B 56 20.762 -5.056 7.837 1.00 0.60 H new ATOM 0 HB3 LEU B 56 20.062 -4.560 6.309 1.00 0.60 H new ATOM 0 HG LEU B 56 17.901 -4.100 7.491 1.00 0.63 H new ATOM 0 HD11 LEU B 56 17.918 -3.938 9.945 1.00 1.29 H new ATOM 0 HD12 LEU B 56 18.190 -5.607 9.391 1.00 1.29 H new ATOM 0 HD13 LEU B 56 19.557 -4.629 9.977 1.00 1.29 H new ATOM 0 HD21 LEU B 56 18.678 -2.024 8.572 1.00 1.42 H new ATOM 0 HD22 LEU B 56 20.348 -2.638 8.543 1.00 1.42 H new ATOM 0 HD23 LEU B 56 19.497 -2.303 7.017 1.00 1.42 H new ATOM 2518 N LEU B 57 17.815 -6.102 5.188 1.00 0.40 N ATOM 2519 CA LEU B 57 16.529 -6.073 4.506 1.00 0.39 C ATOM 2520 C LEU B 57 15.948 -7.480 4.439 1.00 0.37 C ATOM 2521 O LEU B 57 14.779 -7.701 4.754 1.00 0.39 O ATOM 2522 CB LEU B 57 16.694 -5.519 3.089 1.00 0.48 C ATOM 2523 CG LEU B 57 15.854 -4.286 2.758 1.00 0.60 C ATOM 2524 CD1 LEU B 57 15.835 -4.051 1.255 1.00 1.01 C ATOM 2525 CD2 LEU B 57 14.438 -4.434 3.296 1.00 1.15 C ATOM 0 H LEU B 57 18.609 -5.852 4.599 1.00 0.40 H new ATOM 0 HA LEU B 57 15.851 -5.427 5.064 1.00 0.39 H new ATOM 0 HB2 LEU B 57 17.745 -5.272 2.935 1.00 0.48 H new ATOM 0 HB3 LEU B 57 16.444 -6.307 2.379 1.00 0.48 H new ATOM 0 HG LEU B 57 16.308 -3.420 3.240 1.00 0.60 H new ATOM 0 HD11 LEU B 57 15.233 -3.170 1.032 1.00 1.01 H new ATOM 0 HD12 LEU B 57 16.853 -3.895 0.898 1.00 1.01 H new ATOM 0 HD13 LEU B 57 15.405 -4.920 0.756 1.00 1.01 H new ATOM 0 HD21 LEU B 57 13.860 -3.544 3.048 1.00 1.15 H new ATOM 0 HD22 LEU B 57 13.968 -5.309 2.847 1.00 1.15 H new ATOM 0 HD23 LEU B 57 14.471 -4.555 4.379 1.00 1.15 H new ATOM 2537 N ARG B 58 16.792 -8.424 4.037 1.00 0.42 N ATOM 2538 CA ARG B 58 16.405 -9.826 3.915 1.00 0.50 C ATOM 2539 C ARG B 58 15.870 -10.365 5.240 1.00 0.44 C ATOM 2540 O ARG B 58 14.812 -10.992 5.288 1.00 0.44 O ATOM 2541 CB ARG B 58 17.613 -10.646 3.458 1.00 0.65 C ATOM 2542 CG ARG B 58 17.283 -12.068 3.049 1.00 1.08 C ATOM 2543 CD ARG B 58 18.501 -12.758 2.462 1.00 1.12 C ATOM 2544 NE ARG B 58 18.303 -14.196 2.330 1.00 1.90 N ATOM 2545 CZ ARG B 58 18.906 -15.100 3.100 1.00 2.21 C ATOM 2546 NH1 ARG B 58 19.773 -14.712 4.031 1.00 1.97 N ATOM 2547 NH2 ARG B 58 18.645 -16.390 2.934 1.00 3.01 N ATOM 0 H ARG B 58 17.763 -8.240 3.786 1.00 0.42 H new ATOM 0 HA ARG B 58 15.608 -9.907 3.176 1.00 0.50 H new ATOM 0 HB2 ARG B 58 18.085 -10.138 2.616 1.00 0.65 H new ATOM 0 HB3 ARG B 58 18.345 -10.673 4.265 1.00 0.65 H new ATOM 0 HG2 ARG B 58 16.925 -12.626 3.914 1.00 1.08 H new ATOM 0 HG3 ARG B 58 16.475 -12.062 2.317 1.00 1.08 H new ATOM 0 HD2 ARG B 58 18.723 -12.331 1.484 1.00 1.12 H new ATOM 0 HD3 ARG B 58 19.366 -12.568 3.097 1.00 1.12 H new ATOM 0 HE ARG B 58 17.666 -14.529 1.606 1.00 1.90 H new ATOM 0 HH11 ARG B 58 19.977 -13.721 4.156 1.00 1.97 H new ATOM 0 HH12 ARG B 58 20.234 -15.406 4.620 1.00 1.97 H new ATOM 0 HH21 ARG B 58 17.983 -16.688 2.217 1.00 3.01 H new ATOM 0 HH22 ARG B 58 19.106 -17.084 3.523 1.00 3.01 H new ATOM 2561 N ASP B 59 16.608 -10.102 6.312 1.00 0.42 N ATOM 2562 CA ASP B 59 16.228 -10.546 7.650 1.00 0.43 C ATOM 2563 C ASP B 59 14.898 -9.931 8.077 1.00 0.37 C ATOM 2564 O ASP B 59 14.044 -10.605 8.660 1.00 0.39 O ATOM 2565 CB ASP B 59 17.325 -10.172 8.651 1.00 0.49 C ATOM 2566 CG ASP B 59 16.941 -10.464 10.087 1.00 0.58 C ATOM 2567 OD1 ASP B 59 16.822 -11.655 10.443 1.00 0.76 O ATOM 2568 OD2 ASP B 59 16.776 -9.506 10.868 1.00 0.78 O ATOM 0 H ASP B 59 17.482 -9.578 6.280 1.00 0.42 H new ATOM 0 HA ASP B 59 16.108 -11.629 7.631 1.00 0.43 H new ATOM 0 HB2 ASP B 59 18.235 -10.720 8.406 1.00 0.49 H new ATOM 0 HB3 ASP B 59 17.554 -9.111 8.551 1.00 0.49 H new ATOM 2573 N SER B 60 14.721 -8.654 7.767 1.00 0.33 N ATOM 2574 CA SER B 60 13.500 -7.940 8.114 1.00 0.33 C ATOM 2575 C SER B 60 12.308 -8.473 7.321 1.00 0.28 C ATOM 2576 O SER B 60 11.187 -8.527 7.831 1.00 0.29 O ATOM 2577 CB SER B 60 13.683 -6.444 7.868 1.00 0.39 C ATOM 2578 OG SER B 60 14.781 -5.942 8.613 1.00 1.41 O ATOM 0 H SER B 60 15.412 -8.089 7.273 1.00 0.33 H new ATOM 0 HA SER B 60 13.295 -8.102 9.172 1.00 0.33 H new ATOM 0 HB2 SER B 60 13.845 -6.263 6.806 1.00 0.39 H new ATOM 0 HB3 SER B 60 12.774 -5.911 8.147 1.00 0.39 H new ATOM 0 HG SER B 60 15.616 -6.139 8.139 1.00 1.41 H new ATOM 2584 N PHE B 61 12.553 -8.879 6.079 1.00 0.30 N ATOM 2585 CA PHE B 61 11.495 -9.417 5.234 1.00 0.32 C ATOM 2586 C PHE B 61 10.956 -10.708 5.829 1.00 0.33 C ATOM 2587 O PHE B 61 9.753 -10.946 5.834 1.00 0.34 O ATOM 2588 CB PHE B 61 12.001 -9.658 3.811 1.00 0.39 C ATOM 2589 CG PHE B 61 11.996 -8.421 2.963 1.00 0.43 C ATOM 2590 CD1 PHE B 61 11.038 -7.438 3.154 1.00 0.62 C ATOM 2591 CD2 PHE B 61 12.947 -8.242 1.976 1.00 0.59 C ATOM 2592 CE1 PHE B 61 11.031 -6.299 2.376 1.00 0.70 C ATOM 2593 CE2 PHE B 61 12.945 -7.104 1.194 1.00 0.65 C ATOM 2594 CZ PHE B 61 11.985 -6.132 1.394 1.00 0.60 C ATOM 0 H PHE B 61 13.472 -8.846 5.637 1.00 0.30 H new ATOM 0 HA PHE B 61 10.689 -8.685 5.187 1.00 0.32 H new ATOM 0 HB2 PHE B 61 13.015 -10.056 3.856 1.00 0.39 H new ATOM 0 HB3 PHE B 61 11.381 -10.418 3.336 1.00 0.39 H new ATOM 0 HD1 PHE B 61 10.288 -7.565 3.921 1.00 0.62 H new ATOM 0 HD2 PHE B 61 13.699 -9.000 1.815 1.00 0.59 H new ATOM 0 HE1 PHE B 61 10.280 -5.539 2.535 1.00 0.70 H new ATOM 0 HE2 PHE B 61 13.694 -6.974 0.427 1.00 0.65 H new ATOM 0 HZ PHE B 61 11.981 -5.242 0.782 1.00 0.60 H new ATOM 2604 N GLN B 62 11.853 -11.535 6.344 1.00 0.35 N ATOM 2605 CA GLN B 62 11.449 -12.787 6.964 1.00 0.41 C ATOM 2606 C GLN B 62 10.686 -12.501 8.250 1.00 0.37 C ATOM 2607 O GLN B 62 9.737 -13.207 8.596 1.00 0.40 O ATOM 2608 CB GLN B 62 12.664 -13.670 7.258 1.00 0.52 C ATOM 2609 CG GLN B 62 13.476 -14.026 6.024 1.00 0.79 C ATOM 2610 CD GLN B 62 12.658 -14.695 4.934 1.00 1.44 C ATOM 2611 OE1 GLN B 62 11.657 -15.478 5.317 1.00 2.08 O flip ATOM 2612 NE2 GLN B 62 12.935 -14.517 3.750 1.00 2.12 N flip ATOM 0 H GLN B 62 12.858 -11.364 6.345 1.00 0.35 H new ATOM 0 HA GLN B 62 10.801 -13.323 6.271 1.00 0.41 H new ATOM 0 HB2 GLN B 62 13.310 -13.158 7.971 1.00 0.52 H new ATOM 0 HB3 GLN B 62 12.326 -14.589 7.737 1.00 0.52 H new ATOM 0 HG2 GLN B 62 13.929 -13.119 5.623 1.00 0.79 H new ATOM 0 HG3 GLN B 62 14.292 -14.689 6.314 1.00 0.79 H new ATOM 0 HE21 GLN B 62 13.712 -13.908 3.494 1.00 2.12 H new ATOM 0 HE22 GLN B 62 12.388 -14.978 3.023 1.00 2.12 H new ATOM 2621 N GLN B 63 11.094 -11.440 8.934 1.00 0.34 N ATOM 2622 CA GLN B 63 10.465 -11.036 10.182 1.00 0.36 C ATOM 2623 C GLN B 63 9.018 -10.610 9.962 1.00 0.29 C ATOM 2624 O GLN B 63 8.120 -11.083 10.657 1.00 0.32 O ATOM 2625 CB GLN B 63 11.241 -9.891 10.825 1.00 0.44 C ATOM 2626 CG GLN B 63 12.289 -10.347 11.823 1.00 0.66 C ATOM 2627 CD GLN B 63 13.024 -9.186 12.456 1.00 0.76 C ATOM 2628 OE1 GLN B 63 12.579 -8.625 13.459 1.00 1.33 O ATOM 2629 NE2 GLN B 63 14.157 -8.821 11.883 1.00 1.23 N ATOM 0 H GLN B 63 11.865 -10.840 8.641 1.00 0.34 H new ATOM 0 HA GLN B 63 10.474 -11.899 10.848 1.00 0.36 H new ATOM 0 HB2 GLN B 63 11.727 -9.309 10.042 1.00 0.44 H new ATOM 0 HB3 GLN B 63 10.539 -9.226 11.328 1.00 0.44 H new ATOM 0 HG2 GLN B 63 11.811 -10.940 12.603 1.00 0.66 H new ATOM 0 HG3 GLN B 63 13.006 -10.998 11.322 1.00 0.66 H new ATOM 0 HE21 GLN B 63 14.490 -9.312 11.053 1.00 1.23 H new ATOM 0 HE22 GLN B 63 14.698 -8.048 12.270 1.00 1.23 H new ATOM 2638 N VAL B 64 8.791 -9.735 8.983 1.00 0.26 N ATOM 2639 CA VAL B 64 7.443 -9.249 8.696 1.00 0.26 C ATOM 2640 C VAL B 64 6.522 -10.398 8.280 1.00 0.26 C ATOM 2641 O VAL B 64 5.311 -10.358 8.524 1.00 0.28 O ATOM 2642 CB VAL B 64 7.439 -8.134 7.618 1.00 0.28 C ATOM 2643 CG1 VAL B 64 7.767 -8.681 6.238 1.00 0.31 C ATOM 2644 CG2 VAL B 64 6.101 -7.416 7.595 1.00 0.30 C ATOM 0 H VAL B 64 9.518 -9.351 8.379 1.00 0.26 H new ATOM 0 HA VAL B 64 7.062 -8.812 9.619 1.00 0.26 H new ATOM 0 HB VAL B 64 8.219 -7.421 7.886 1.00 0.28 H new ATOM 0 HG11 VAL B 64 7.754 -7.868 5.512 1.00 0.31 H new ATOM 0 HG12 VAL B 64 8.757 -9.138 6.253 1.00 0.31 H new ATOM 0 HG13 VAL B 64 7.026 -9.430 5.958 1.00 0.31 H new ATOM 0 HG21 VAL B 64 6.119 -6.638 6.832 1.00 0.30 H new ATOM 0 HG22 VAL B 64 5.309 -8.129 7.367 1.00 0.30 H new ATOM 0 HG23 VAL B 64 5.913 -6.965 8.569 1.00 0.30 H new ATOM 2654 N VAL B 65 7.103 -11.427 7.671 1.00 0.29 N ATOM 2655 CA VAL B 65 6.343 -12.597 7.256 1.00 0.33 C ATOM 2656 C VAL B 65 5.861 -13.361 8.486 1.00 0.37 C ATOM 2657 O VAL B 65 4.742 -13.870 8.522 1.00 0.45 O ATOM 2658 CB VAL B 65 7.186 -13.532 6.354 1.00 0.40 C ATOM 2659 CG1 VAL B 65 6.488 -14.866 6.128 1.00 0.48 C ATOM 2660 CG2 VAL B 65 7.475 -12.864 5.020 1.00 0.39 C ATOM 0 H VAL B 65 8.099 -11.473 7.455 1.00 0.29 H new ATOM 0 HA VAL B 65 5.487 -12.254 6.676 1.00 0.33 H new ATOM 0 HB VAL B 65 8.127 -13.726 6.868 1.00 0.40 H new ATOM 0 HG11 VAL B 65 7.107 -15.497 5.491 1.00 0.48 H new ATOM 0 HG12 VAL B 65 6.330 -15.361 7.086 1.00 0.48 H new ATOM 0 HG13 VAL B 65 5.526 -14.696 5.645 1.00 0.48 H new ATOM 0 HG21 VAL B 65 8.068 -13.535 4.398 1.00 0.39 H new ATOM 0 HG22 VAL B 65 6.536 -12.637 4.516 1.00 0.39 H new ATOM 0 HG23 VAL B 65 8.029 -11.940 5.188 1.00 0.39 H new ATOM 2670 N LYS B 66 6.709 -13.408 9.505 1.00 0.37 N ATOM 2671 CA LYS B 66 6.381 -14.099 10.745 1.00 0.45 C ATOM 2672 C LYS B 66 5.407 -13.270 11.578 1.00 0.41 C ATOM 2673 O LYS B 66 4.589 -13.819 12.319 1.00 0.49 O ATOM 2674 CB LYS B 66 7.653 -14.392 11.544 1.00 0.57 C ATOM 2675 CG LYS B 66 8.599 -15.352 10.838 1.00 0.74 C ATOM 2676 CD LYS B 66 10.010 -15.262 11.396 1.00 0.67 C ATOM 2677 CE LYS B 66 10.098 -15.857 12.792 1.00 1.44 C ATOM 2678 NZ LYS B 66 11.369 -15.489 13.469 1.00 2.19 N ATOM 0 H LYS B 66 7.632 -12.974 9.497 1.00 0.37 H new ATOM 0 HA LYS B 66 5.902 -15.046 10.497 1.00 0.45 H new ATOM 0 HB2 LYS B 66 8.175 -13.455 11.739 1.00 0.57 H new ATOM 0 HB3 LYS B 66 7.377 -14.810 12.512 1.00 0.57 H new ATOM 0 HG2 LYS B 66 8.230 -16.372 10.945 1.00 0.74 H new ATOM 0 HG3 LYS B 66 8.615 -15.129 9.771 1.00 0.74 H new ATOM 0 HD2 LYS B 66 10.698 -15.785 10.733 1.00 0.67 H new ATOM 0 HD3 LYS B 66 10.325 -14.219 11.424 1.00 0.67 H new ATOM 0 HE2 LYS B 66 9.254 -15.510 13.389 1.00 1.44 H new ATOM 0 HE3 LYS B 66 10.020 -16.942 12.730 1.00 1.44 H new ATOM 0 HZ1 LYS B 66 11.392 -15.913 14.418 1.00 2.19 H new ATOM 0 HZ2 LYS B 66 12.174 -15.842 12.912 1.00 2.19 H new ATOM 0 HZ3 LYS B 66 11.432 -14.454 13.551 1.00 2.19 H new ATOM 2692 N LEU B 67 5.506 -11.948 11.452 1.00 0.39 N ATOM 2693 CA LEU B 67 4.620 -11.038 12.172 1.00 0.43 C ATOM 2694 C LEU B 67 3.182 -11.273 11.728 1.00 0.62 C ATOM 2695 O LEU B 67 2.293 -11.468 12.558 1.00 1.30 O ATOM 2696 CB LEU B 67 5.017 -9.579 11.921 1.00 0.59 C ATOM 2697 CG LEU B 67 6.416 -9.186 12.399 1.00 0.54 C ATOM 2698 CD1 LEU B 67 6.724 -7.747 12.014 1.00 0.74 C ATOM 2699 CD2 LEU B 67 6.544 -9.377 13.903 1.00 0.79 C ATOM 0 H LEU B 67 6.192 -11.484 10.857 1.00 0.39 H new ATOM 0 HA LEU B 67 4.708 -11.234 13.241 1.00 0.43 H new ATOM 0 HB2 LEU B 67 4.948 -9.381 10.851 1.00 0.59 H new ATOM 0 HB3 LEU B 67 4.289 -8.933 12.412 1.00 0.59 H new ATOM 0 HG LEU B 67 7.141 -9.837 11.911 1.00 0.54 H new ATOM 0 HD11 LEU B 67 7.723 -7.483 12.361 1.00 0.74 H new ATOM 0 HD12 LEU B 67 6.677 -7.642 10.930 1.00 0.74 H new ATOM 0 HD13 LEU B 67 5.993 -7.083 12.474 1.00 0.74 H new ATOM 0 HD21 LEU B 67 7.546 -9.092 14.222 1.00 0.79 H new ATOM 0 HD22 LEU B 67 5.810 -8.753 14.413 1.00 0.79 H new ATOM 0 HD23 LEU B 67 6.368 -10.423 14.153 1.00 0.79 H new ATOM 2711 N LYS B 68 2.984 -11.273 10.405 1.00 0.48 N ATOM 2712 CA LYS B 68 1.674 -11.506 9.791 1.00 0.55 C ATOM 2713 C LYS B 68 0.648 -10.445 10.184 1.00 0.47 C ATOM 2714 O LYS B 68 0.114 -10.458 11.292 1.00 0.50 O ATOM 2715 CB LYS B 68 1.152 -12.898 10.154 1.00 0.69 C ATOM 2716 CG LYS B 68 1.514 -13.967 9.140 1.00 0.56 C ATOM 2717 CD LYS B 68 0.745 -15.250 9.395 1.00 0.67 C ATOM 2718 CE LYS B 68 0.683 -16.118 8.152 1.00 0.69 C ATOM 2719 NZ LYS B 68 -0.211 -17.287 8.344 1.00 1.04 N ATOM 0 H LYS B 68 3.730 -11.111 9.729 1.00 0.48 H new ATOM 0 HA LYS B 68 1.814 -11.440 8.712 1.00 0.55 H new ATOM 0 HB2 LYS B 68 1.550 -13.183 11.128 1.00 0.69 H new ATOM 0 HB3 LYS B 68 0.067 -12.856 10.253 1.00 0.69 H new ATOM 0 HG2 LYS B 68 1.299 -13.605 8.134 1.00 0.56 H new ATOM 0 HG3 LYS B 68 2.585 -14.167 9.185 1.00 0.56 H new ATOM 0 HD2 LYS B 68 1.220 -15.805 10.204 1.00 0.67 H new ATOM 0 HD3 LYS B 68 -0.266 -15.010 9.723 1.00 0.67 H new ATOM 0 HE2 LYS B 68 0.329 -15.523 7.310 1.00 0.69 H new ATOM 0 HE3 LYS B 68 1.685 -16.464 7.899 1.00 0.69 H new ATOM 0 HZ1 LYS B 68 -0.673 -17.523 7.442 1.00 1.04 H new ATOM 0 HZ2 LYS B 68 0.348 -18.101 8.670 1.00 1.04 H new ATOM 0 HZ3 LYS B 68 -0.935 -17.057 9.054 1.00 1.04 H new ATOM 2733 N GLY B 69 0.367 -9.537 9.261 1.00 0.50 N ATOM 2734 CA GLY B 69 -0.601 -8.490 9.519 1.00 0.59 C ATOM 2735 C GLY B 69 -0.005 -7.320 10.270 1.00 0.54 C ATOM 2736 O GLY B 69 -0.727 -6.436 10.738 1.00 0.57 O ATOM 0 H GLY B 69 0.793 -9.506 8.335 1.00 0.50 H new ATOM 0 HA2 GLY B 69 -1.012 -8.138 8.572 1.00 0.59 H new ATOM 0 HA3 GLY B 69 -1.431 -8.901 10.093 1.00 0.59 H new ATOM 2740 N GLN B 70 1.311 -7.308 10.373 1.00 0.50 N ATOM 2741 CA GLN B 70 2.014 -6.249 11.072 1.00 0.46 C ATOM 2742 C GLN B 70 2.963 -5.535 10.120 1.00 0.38 C ATOM 2743 O GLN B 70 3.503 -6.146 9.199 1.00 0.37 O ATOM 2744 CB GLN B 70 2.787 -6.820 12.263 1.00 0.50 C ATOM 2745 CG GLN B 70 3.230 -5.767 13.265 1.00 1.31 C ATOM 2746 CD GLN B 70 2.101 -4.839 13.659 1.00 1.89 C ATOM 2747 OE1 GLN B 70 1.903 -3.789 13.046 1.00 2.68 O ATOM 2748 NE2 GLN B 70 1.343 -5.229 14.667 1.00 2.32 N ATOM 0 H GLN B 70 1.918 -8.026 9.978 1.00 0.50 H new ATOM 0 HA GLN B 70 1.284 -5.530 11.445 1.00 0.46 H new ATOM 0 HB2 GLN B 70 2.162 -7.554 12.772 1.00 0.50 H new ATOM 0 HB3 GLN B 70 3.665 -7.350 11.894 1.00 0.50 H new ATOM 0 HG2 GLN B 70 3.622 -6.258 14.156 1.00 1.31 H new ATOM 0 HG3 GLN B 70 4.046 -5.183 12.839 1.00 1.31 H new ATOM 0 HE21 GLN B 70 1.544 -6.107 15.146 1.00 2.32 H new ATOM 0 HE22 GLN B 70 0.557 -4.653 14.967 1.00 2.32 H new ATOM 2757 N VAL B 71 3.151 -4.244 10.340 1.00 0.36 N ATOM 2758 CA VAL B 71 4.032 -3.450 9.503 1.00 0.32 C ATOM 2759 C VAL B 71 5.367 -3.207 10.208 1.00 0.31 C ATOM 2760 O VAL B 71 5.418 -2.662 11.314 1.00 0.39 O ATOM 2761 CB VAL B 71 3.374 -2.107 9.100 1.00 0.38 C ATOM 2762 CG1 VAL B 71 2.860 -1.350 10.318 1.00 1.28 C ATOM 2763 CG2 VAL B 71 4.339 -1.249 8.295 1.00 1.35 C ATOM 0 H VAL B 71 2.703 -3.723 11.094 1.00 0.36 H new ATOM 0 HA VAL B 71 4.219 -4.013 8.589 1.00 0.32 H new ATOM 0 HB VAL B 71 2.516 -2.337 8.469 1.00 0.38 H new ATOM 0 HG11 VAL B 71 2.405 -0.413 9.998 1.00 1.28 H new ATOM 0 HG12 VAL B 71 2.117 -1.956 10.836 1.00 1.28 H new ATOM 0 HG13 VAL B 71 3.690 -1.139 10.992 1.00 1.28 H new ATOM 0 HG21 VAL B 71 3.853 -0.312 8.024 1.00 1.35 H new ATOM 0 HG22 VAL B 71 5.225 -1.039 8.894 1.00 1.35 H new ATOM 0 HG23 VAL B 71 4.631 -1.781 7.390 1.00 1.35 H new ATOM 2773 N LEU B 72 6.442 -3.637 9.570 1.00 0.27 N ATOM 2774 CA LEU B 72 7.779 -3.481 10.120 1.00 0.29 C ATOM 2775 C LEU B 72 8.591 -2.500 9.283 1.00 0.31 C ATOM 2776 O LEU B 72 8.861 -2.744 8.106 1.00 0.44 O ATOM 2777 CB LEU B 72 8.490 -4.835 10.175 1.00 0.35 C ATOM 2778 CG LEU B 72 9.913 -4.800 10.738 1.00 0.44 C ATOM 2779 CD1 LEU B 72 9.898 -4.448 12.218 1.00 1.37 C ATOM 2780 CD2 LEU B 72 10.607 -6.134 10.514 1.00 1.05 C ATOM 0 H LEU B 72 6.414 -4.101 8.662 1.00 0.27 H new ATOM 0 HA LEU B 72 7.690 -3.086 11.132 1.00 0.29 H new ATOM 0 HB2 LEU B 72 7.893 -5.517 10.781 1.00 0.35 H new ATOM 0 HB3 LEU B 72 8.525 -5.251 9.168 1.00 0.35 H new ATOM 0 HG LEU B 72 10.471 -4.027 10.209 1.00 0.44 H new ATOM 0 HD11 LEU B 72 10.920 -4.429 12.598 1.00 1.37 H new ATOM 0 HD12 LEU B 72 9.442 -3.468 12.354 1.00 1.37 H new ATOM 0 HD13 LEU B 72 9.322 -5.195 12.764 1.00 1.37 H new ATOM 0 HD21 LEU B 72 11.618 -6.091 10.920 1.00 1.05 H new ATOM 0 HD22 LEU B 72 10.047 -6.924 11.015 1.00 1.05 H new ATOM 0 HD23 LEU B 72 10.654 -6.345 9.446 1.00 1.05 H new ATOM 2792 N SER B 73 8.959 -1.385 9.890 1.00 0.27 N ATOM 2793 CA SER B 73 9.744 -0.368 9.213 1.00 0.33 C ATOM 2794 C SER B 73 11.234 -0.627 9.403 1.00 0.28 C ATOM 2795 O SER B 73 11.739 -0.621 10.525 1.00 0.31 O ATOM 2796 CB SER B 73 9.371 1.017 9.748 1.00 0.48 C ATOM 2797 OG SER B 73 7.962 1.184 9.783 1.00 1.38 O ATOM 0 H SER B 73 8.725 -1.160 10.857 1.00 0.27 H new ATOM 0 HA SER B 73 9.525 -0.407 8.146 1.00 0.33 H new ATOM 0 HB2 SER B 73 9.782 1.147 10.749 1.00 0.48 H new ATOM 0 HB3 SER B 73 9.817 1.787 9.118 1.00 0.48 H new ATOM 0 HG SER B 73 7.654 1.547 8.926 1.00 1.38 H new ATOM 2803 N VAL B 74 11.928 -0.885 8.307 1.00 0.29 N ATOM 2804 CA VAL B 74 13.357 -1.139 8.357 1.00 0.28 C ATOM 2805 C VAL B 74 14.131 0.001 7.697 1.00 0.23 C ATOM 2806 O VAL B 74 13.915 0.327 6.527 1.00 0.24 O ATOM 2807 CB VAL B 74 13.718 -2.495 7.697 1.00 0.34 C ATOM 2808 CG1 VAL B 74 13.071 -2.633 6.325 1.00 0.35 C ATOM 2809 CG2 VAL B 74 15.228 -2.671 7.604 1.00 0.41 C ATOM 0 H VAL B 74 11.524 -0.924 7.371 1.00 0.29 H new ATOM 0 HA VAL B 74 13.645 -1.194 9.407 1.00 0.28 H new ATOM 0 HB VAL B 74 13.322 -3.287 8.333 1.00 0.34 H new ATOM 0 HG11 VAL B 74 13.344 -3.594 5.889 1.00 0.35 H new ATOM 0 HG12 VAL B 74 11.987 -2.575 6.426 1.00 0.35 H new ATOM 0 HG13 VAL B 74 13.418 -1.829 5.676 1.00 0.35 H new ATOM 0 HG21 VAL B 74 15.455 -3.630 7.138 1.00 0.41 H new ATOM 0 HG22 VAL B 74 15.652 -1.866 7.003 1.00 0.41 H new ATOM 0 HG23 VAL B 74 15.660 -2.643 8.604 1.00 0.41 H new ATOM 2819 N MET B 75 15.001 0.633 8.470 1.00 0.21 N ATOM 2820 CA MET B 75 15.810 1.730 7.971 1.00 0.20 C ATOM 2821 C MET B 75 17.168 1.215 7.509 1.00 0.20 C ATOM 2822 O MET B 75 17.895 0.582 8.277 1.00 0.24 O ATOM 2823 CB MET B 75 15.988 2.792 9.057 1.00 0.26 C ATOM 2824 CG MET B 75 16.678 4.053 8.570 1.00 0.29 C ATOM 2825 SD MET B 75 16.934 5.259 9.889 1.00 0.41 S ATOM 2826 CE MET B 75 17.926 4.304 11.039 1.00 0.41 C ATOM 0 H MET B 75 15.164 0.402 9.450 1.00 0.21 H new ATOM 0 HA MET B 75 15.300 2.182 7.120 1.00 0.20 H new ATOM 0 HB2 MET B 75 15.010 3.056 9.459 1.00 0.26 H new ATOM 0 HB3 MET B 75 16.565 2.366 9.878 1.00 0.26 H new ATOM 0 HG2 MET B 75 17.641 3.790 8.132 1.00 0.29 H new ATOM 0 HG3 MET B 75 16.081 4.507 7.779 1.00 0.29 H new ATOM 0 HE1 MET B 75 18.483 4.980 11.688 1.00 0.41 H new ATOM 0 HE2 MET B 75 17.275 3.674 11.645 1.00 0.41 H new ATOM 0 HE3 MET B 75 18.624 3.677 10.484 1.00 0.41 H new ATOM 2836 N PHE B 76 17.492 1.476 6.253 1.00 0.21 N ATOM 2837 CA PHE B 76 18.755 1.041 5.671 1.00 0.23 C ATOM 2838 C PHE B 76 19.188 2.019 4.585 1.00 0.22 C ATOM 2839 O PHE B 76 18.558 3.058 4.400 1.00 0.21 O ATOM 2840 CB PHE B 76 18.610 -0.367 5.084 1.00 0.26 C ATOM 2841 CG PHE B 76 17.551 -0.470 4.024 1.00 0.27 C ATOM 2842 CD1 PHE B 76 16.241 -0.750 4.365 1.00 0.31 C ATOM 2843 CD2 PHE B 76 17.867 -0.281 2.689 1.00 0.31 C ATOM 2844 CE1 PHE B 76 15.266 -0.841 3.395 1.00 0.37 C ATOM 2845 CE2 PHE B 76 16.897 -0.370 1.713 1.00 0.36 C ATOM 2846 CZ PHE B 76 15.593 -0.650 2.067 1.00 0.38 C ATOM 0 H PHE B 76 16.892 1.992 5.610 1.00 0.21 H new ATOM 0 HA PHE B 76 19.515 1.017 6.452 1.00 0.23 H new ATOM 0 HB2 PHE B 76 19.566 -0.676 4.662 1.00 0.26 H new ATOM 0 HB3 PHE B 76 18.376 -1.065 5.888 1.00 0.26 H new ATOM 0 HD1 PHE B 76 15.979 -0.899 5.402 1.00 0.31 H new ATOM 0 HD2 PHE B 76 18.887 -0.061 2.409 1.00 0.31 H new ATOM 0 HE1 PHE B 76 14.246 -1.062 3.674 1.00 0.37 H new ATOM 0 HE2 PHE B 76 17.157 -0.221 0.675 1.00 0.36 H new ATOM 0 HZ PHE B 76 14.829 -0.720 1.307 1.00 0.38 H new ATOM 2856 N ARG B 77 20.253 1.690 3.869 1.00 0.25 N ATOM 2857 CA ARG B 77 20.739 2.546 2.796 1.00 0.25 C ATOM 2858 C ARG B 77 20.352 1.968 1.434 1.00 0.23 C ATOM 2859 O ARG B 77 20.723 0.844 1.095 1.00 0.26 O ATOM 2860 CB ARG B 77 22.257 2.725 2.897 1.00 0.30 C ATOM 2861 CG ARG B 77 22.690 3.592 4.071 1.00 0.48 C ATOM 2862 CD ARG B 77 24.203 3.712 4.156 1.00 0.63 C ATOM 2863 NE ARG B 77 24.733 3.060 5.351 1.00 1.50 N ATOM 2864 CZ ARG B 77 25.936 3.298 5.868 1.00 1.87 C ATOM 2865 NH1 ARG B 77 26.737 4.203 5.319 1.00 1.59 N ATOM 2866 NH2 ARG B 77 26.327 2.635 6.945 1.00 2.97 N ATOM 0 H ARG B 77 20.796 0.839 4.011 1.00 0.25 H new ATOM 0 HA ARG B 77 20.273 3.526 2.897 1.00 0.25 H new ATOM 0 HB2 ARG B 77 22.725 1.745 2.987 1.00 0.30 H new ATOM 0 HB3 ARG B 77 22.625 3.170 1.972 1.00 0.30 H new ATOM 0 HG2 ARG B 77 22.252 4.585 3.971 1.00 0.48 H new ATOM 0 HG3 ARG B 77 22.306 3.166 4.998 1.00 0.48 H new ATOM 0 HD2 ARG B 77 24.653 3.266 3.269 1.00 0.63 H new ATOM 0 HD3 ARG B 77 24.484 4.765 4.162 1.00 0.63 H new ATOM 0 HE ARG B 77 24.141 2.376 5.821 1.00 1.50 H new ATOM 0 HH11 ARG B 77 26.432 4.721 4.495 1.00 1.59 H new ATOM 0 HH12 ARG B 77 27.658 4.380 5.721 1.00 1.59 H new ATOM 0 HH21 ARG B 77 25.708 1.947 7.373 1.00 2.97 H new ATOM 0 HH22 ARG B 77 27.248 2.812 7.347 1.00 2.97 H new ATOM 2880 N PHE B 78 19.600 2.744 0.665 1.00 0.24 N ATOM 2881 CA PHE B 78 19.141 2.324 -0.654 1.00 0.23 C ATOM 2882 C PHE B 78 19.898 3.077 -1.745 1.00 0.21 C ATOM 2883 O PHE B 78 20.381 4.189 -1.518 1.00 0.22 O ATOM 2884 CB PHE B 78 17.636 2.580 -0.781 1.00 0.27 C ATOM 2885 CG PHE B 78 16.970 1.805 -1.884 1.00 0.27 C ATOM 2886 CD1 PHE B 78 16.773 0.440 -1.767 1.00 0.34 C ATOM 2887 CD2 PHE B 78 16.539 2.445 -3.036 1.00 0.33 C ATOM 2888 CE1 PHE B 78 16.160 -0.275 -2.777 1.00 0.37 C ATOM 2889 CE2 PHE B 78 15.926 1.736 -4.051 1.00 0.37 C ATOM 2890 CZ PHE B 78 15.736 0.374 -3.921 1.00 0.33 C ATOM 0 H PHE B 78 19.292 3.678 0.935 1.00 0.24 H new ATOM 0 HA PHE B 78 19.334 1.258 -0.774 1.00 0.23 H new ATOM 0 HB2 PHE B 78 17.155 2.330 0.165 1.00 0.27 H new ATOM 0 HB3 PHE B 78 17.473 3.644 -0.950 1.00 0.27 H new ATOM 0 HD1 PHE B 78 17.103 -0.072 -0.875 1.00 0.34 H new ATOM 0 HD2 PHE B 78 16.684 3.510 -3.141 1.00 0.33 H new ATOM 0 HE1 PHE B 78 16.012 -1.340 -2.673 1.00 0.37 H new ATOM 0 HE2 PHE B 78 15.596 2.246 -4.944 1.00 0.37 H new ATOM 0 HZ PHE B 78 15.257 -0.183 -4.712 1.00 0.33 H new ATOM 2900 N ARG B 79 19.999 2.469 -2.918 1.00 0.25 N ATOM 2901 CA ARG B 79 20.699 3.073 -4.047 1.00 0.26 C ATOM 2902 C ARG B 79 19.748 3.886 -4.917 1.00 0.26 C ATOM 2903 O ARG B 79 18.728 3.379 -5.388 1.00 0.36 O ATOM 2904 CB ARG B 79 21.373 1.980 -4.884 1.00 0.36 C ATOM 2905 CG ARG B 79 21.855 2.429 -6.257 1.00 0.33 C ATOM 2906 CD ARG B 79 22.698 1.350 -6.919 1.00 0.56 C ATOM 2907 NE ARG B 79 22.543 1.329 -8.375 1.00 1.04 N ATOM 2908 CZ ARG B 79 22.419 0.212 -9.096 1.00 1.28 C ATOM 2909 NH1 ARG B 79 22.418 -0.974 -8.499 1.00 1.06 N ATOM 2910 NH2 ARG B 79 22.303 0.278 -10.417 1.00 2.22 N ATOM 0 H ARG B 79 19.602 1.550 -3.115 1.00 0.25 H new ATOM 0 HA ARG B 79 21.457 3.751 -3.655 1.00 0.26 H new ATOM 0 HB2 ARG B 79 22.224 1.589 -4.326 1.00 0.36 H new ATOM 0 HB3 ARG B 79 20.671 1.157 -5.013 1.00 0.36 H new ATOM 0 HG2 ARG B 79 20.998 2.664 -6.888 1.00 0.33 H new ATOM 0 HG3 ARG B 79 22.440 3.344 -6.160 1.00 0.33 H new ATOM 0 HD2 ARG B 79 23.747 1.511 -6.671 1.00 0.56 H new ATOM 0 HD3 ARG B 79 22.420 0.377 -6.514 1.00 0.56 H new ATOM 0 HE ARG B 79 22.529 2.222 -8.868 1.00 1.04 H new ATOM 0 HH11 ARG B 79 22.512 -1.035 -7.485 1.00 1.06 H new ATOM 0 HH12 ARG B 79 22.323 -1.824 -9.054 1.00 1.06 H new ATOM 0 HH21 ARG B 79 22.308 1.184 -10.885 1.00 2.22 H new ATOM 0 HH22 ARG B 79 22.209 -0.578 -10.964 1.00 2.22 H new ATOM 2924 N SER B 80 20.084 5.151 -5.122 1.00 0.25 N ATOM 2925 CA SER B 80 19.274 6.028 -5.952 1.00 0.33 C ATOM 2926 C SER B 80 19.727 5.931 -7.405 1.00 0.32 C ATOM 2927 O SER B 80 20.637 5.164 -7.728 1.00 0.32 O ATOM 2928 CB SER B 80 19.385 7.474 -5.463 1.00 0.46 C ATOM 2929 OG SER B 80 20.712 7.960 -5.581 1.00 1.06 O ATOM 0 H SER B 80 20.913 5.593 -4.724 1.00 0.25 H new ATOM 0 HA SER B 80 18.232 5.715 -5.882 1.00 0.33 H new ATOM 0 HB2 SER B 80 18.711 8.107 -6.040 1.00 0.46 H new ATOM 0 HB3 SER B 80 19.065 7.533 -4.423 1.00 0.46 H new ATOM 0 HG SER B 80 20.703 8.940 -5.575 1.00 1.06 H new ATOM 2935 N LYS B 81 19.099 6.712 -8.280 1.00 0.35 N ATOM 2936 CA LYS B 81 19.453 6.716 -9.696 1.00 0.37 C ATOM 2937 C LYS B 81 20.849 7.315 -9.895 1.00 0.40 C ATOM 2938 O LYS B 81 21.428 7.239 -10.978 1.00 0.48 O ATOM 2939 CB LYS B 81 18.409 7.501 -10.499 1.00 0.41 C ATOM 2940 CG LYS B 81 18.518 7.313 -12.005 1.00 0.45 C ATOM 2941 CD LYS B 81 18.338 5.856 -12.407 1.00 0.47 C ATOM 2942 CE LYS B 81 18.569 5.658 -13.896 1.00 0.67 C ATOM 2943 NZ LYS B 81 18.591 4.220 -14.268 1.00 1.69 N ATOM 0 H LYS B 81 18.343 7.350 -8.033 1.00 0.35 H new ATOM 0 HA LYS B 81 19.467 5.688 -10.058 1.00 0.37 H new ATOM 0 HB2 LYS B 81 17.413 7.197 -10.176 1.00 0.41 H new ATOM 0 HB3 LYS B 81 18.509 8.561 -10.267 1.00 0.41 H new ATOM 0 HG2 LYS B 81 17.765 7.923 -12.503 1.00 0.45 H new ATOM 0 HG3 LYS B 81 19.491 7.667 -12.346 1.00 0.45 H new ATOM 0 HD2 LYS B 81 19.033 5.233 -11.844 1.00 0.47 H new ATOM 0 HD3 LYS B 81 17.332 5.527 -12.147 1.00 0.47 H new ATOM 0 HE2 LYS B 81 17.783 6.166 -14.456 1.00 0.67 H new ATOM 0 HE3 LYS B 81 19.514 6.121 -14.181 1.00 0.67 H new ATOM 0 HZ1 LYS B 81 18.563 4.129 -15.304 1.00 1.69 H new ATOM 0 HZ2 LYS B 81 19.461 3.781 -13.905 1.00 1.69 H new ATOM 0 HZ3 LYS B 81 17.764 3.742 -13.856 1.00 1.69 H new ATOM 2957 N ASN B 82 21.376 7.912 -8.833 1.00 0.39 N ATOM 2958 CA ASN B 82 22.703 8.514 -8.859 1.00 0.45 C ATOM 2959 C ASN B 82 23.739 7.519 -8.345 1.00 0.43 C ATOM 2960 O ASN B 82 24.917 7.848 -8.212 1.00 0.50 O ATOM 2961 CB ASN B 82 22.731 9.787 -8.005 1.00 0.53 C ATOM 2962 CG ASN B 82 21.976 10.942 -8.642 1.00 0.95 C ATOM 2963 OD1 ASN B 82 21.995 11.119 -9.858 1.00 1.75 O ATOM 2964 ND2 ASN B 82 21.297 11.732 -7.822 1.00 0.81 N ATOM 0 H ASN B 82 20.899 7.992 -7.935 1.00 0.39 H new ATOM 0 HA ASN B 82 22.944 8.779 -9.888 1.00 0.45 H new ATOM 0 HB2 ASN B 82 22.299 9.572 -7.027 1.00 0.53 H new ATOM 0 HB3 ASN B 82 23.766 10.084 -7.838 1.00 0.53 H new ATOM 0 HD21 ASN B 82 20.766 12.519 -8.195 1.00 0.81 H new ATOM 0 HD22 ASN B 82 21.305 11.553 -6.818 1.00 0.81 H new ATOM 2971 N GLN B 83 23.270 6.305 -8.039 1.00 0.37 N ATOM 2972 CA GLN B 83 24.118 5.215 -7.546 1.00 0.40 C ATOM 2973 C GLN B 83 24.663 5.481 -6.145 1.00 0.37 C ATOM 2974 O GLN B 83 25.588 4.805 -5.698 1.00 0.46 O ATOM 2975 CB GLN B 83 25.275 4.939 -8.511 1.00 0.53 C ATOM 2976 CG GLN B 83 25.007 3.790 -9.468 1.00 0.63 C ATOM 2977 CD GLN B 83 23.750 3.989 -10.287 1.00 0.90 C ATOM 2978 OE1 GLN B 83 22.666 3.552 -9.901 1.00 1.62 O ATOM 2979 NE2 GLN B 83 23.883 4.651 -11.421 1.00 0.87 N ATOM 0 H GLN B 83 22.286 6.050 -8.127 1.00 0.37 H new ATOM 0 HA GLN B 83 23.480 4.333 -7.488 1.00 0.40 H new ATOM 0 HB2 GLN B 83 25.479 5.841 -9.088 1.00 0.53 H new ATOM 0 HB3 GLN B 83 26.173 4.719 -7.934 1.00 0.53 H new ATOM 0 HG2 GLN B 83 25.858 3.676 -10.139 1.00 0.63 H new ATOM 0 HG3 GLN B 83 24.922 2.863 -8.901 1.00 0.63 H new ATOM 0 HE21 GLN B 83 24.800 4.997 -11.705 1.00 0.87 H new ATOM 0 HE22 GLN B 83 23.069 4.817 -12.013 1.00 0.87 H new ATOM 2988 N GLU B 84 24.091 6.451 -5.444 1.00 0.37 N ATOM 2989 CA GLU B 84 24.540 6.755 -4.095 1.00 0.38 C ATOM 2990 C GLU B 84 23.660 6.033 -3.085 1.00 0.31 C ATOM 2991 O GLU B 84 22.586 5.539 -3.434 1.00 0.42 O ATOM 2992 CB GLU B 84 24.528 8.261 -3.834 1.00 0.53 C ATOM 2993 CG GLU B 84 23.137 8.852 -3.690 1.00 1.22 C ATOM 2994 CD GLU B 84 23.170 10.323 -3.348 1.00 2.08 C ATOM 2995 OE1 GLU B 84 23.229 11.149 -4.282 1.00 2.78 O ATOM 2996 OE2 GLU B 84 23.129 10.660 -2.148 1.00 2.45 O ATOM 0 H GLU B 84 23.325 7.033 -5.783 1.00 0.37 H new ATOM 0 HA GLU B 84 25.568 6.408 -3.988 1.00 0.38 H new ATOM 0 HB2 GLU B 84 25.095 8.466 -2.926 1.00 0.53 H new ATOM 0 HB3 GLU B 84 25.043 8.765 -4.652 1.00 0.53 H new ATOM 0 HG2 GLU B 84 22.587 8.710 -4.620 1.00 1.22 H new ATOM 0 HG3 GLU B 84 22.595 8.313 -2.913 1.00 1.22 H new ATOM 3003 N TRP B 85 24.108 5.981 -1.839 1.00 0.32 N ATOM 3004 CA TRP B 85 23.357 5.300 -0.795 1.00 0.33 C ATOM 3005 C TRP B 85 22.667 6.298 0.127 1.00 0.33 C ATOM 3006 O TRP B 85 23.322 7.077 0.826 1.00 0.45 O ATOM 3007 CB TRP B 85 24.283 4.390 0.021 1.00 0.41 C ATOM 3008 CG TRP B 85 25.161 3.521 -0.829 1.00 0.42 C ATOM 3009 CD1 TRP B 85 26.506 3.657 -1.019 1.00 0.66 C ATOM 3010 CD2 TRP B 85 24.760 2.390 -1.615 1.00 0.50 C ATOM 3011 NE1 TRP B 85 26.965 2.681 -1.871 1.00 0.63 N ATOM 3012 CE2 TRP B 85 25.914 1.892 -2.250 1.00 0.50 C ATOM 3013 CE3 TRP B 85 23.540 1.750 -1.844 1.00 0.84 C ATOM 3014 CZ2 TRP B 85 25.883 0.784 -3.095 1.00 0.67 C ATOM 3015 CZ3 TRP B 85 23.513 0.652 -2.683 1.00 1.10 C ATOM 3016 CH2 TRP B 85 24.676 0.180 -3.299 1.00 0.97 C ATOM 0 H TRP B 85 24.984 6.400 -1.527 1.00 0.32 H new ATOM 0 HA TRP B 85 22.591 4.692 -1.277 1.00 0.33 H new ATOM 0 HB2 TRP B 85 24.909 5.006 0.667 1.00 0.41 H new ATOM 0 HB3 TRP B 85 23.679 3.758 0.672 1.00 0.41 H new ATOM 0 HD1 TRP B 85 27.120 4.421 -0.566 1.00 0.66 H new ATOM 0 HE1 TRP B 85 27.933 2.564 -2.172 1.00 0.63 H new ATOM 0 HE3 TRP B 85 22.635 2.106 -1.374 1.00 0.84 H new ATOM 0 HZ2 TRP B 85 26.780 0.417 -3.571 1.00 0.67 H new ATOM 0 HZ3 TRP B 85 22.575 0.149 -2.866 1.00 1.10 H new ATOM 0 HH2 TRP B 85 24.618 -0.680 -3.950 1.00 0.97 H new ATOM 3027 N LEU B 86 21.345 6.276 0.120 1.00 0.28 N ATOM 3028 CA LEU B 86 20.559 7.163 0.966 1.00 0.29 C ATOM 3029 C LEU B 86 19.767 6.351 1.984 1.00 0.26 C ATOM 3030 O LEU B 86 19.407 5.206 1.724 1.00 0.28 O ATOM 3031 CB LEU B 86 19.619 8.036 0.122 1.00 0.34 C ATOM 3032 CG LEU B 86 19.001 7.363 -1.111 1.00 0.42 C ATOM 3033 CD1 LEU B 86 17.776 6.544 -0.734 1.00 0.96 C ATOM 3034 CD2 LEU B 86 18.636 8.409 -2.151 1.00 1.03 C ATOM 0 H LEU B 86 20.790 5.651 -0.464 1.00 0.28 H new ATOM 0 HA LEU B 86 21.242 7.824 1.500 1.00 0.29 H new ATOM 0 HB2 LEU B 86 18.810 8.388 0.762 1.00 0.34 H new ATOM 0 HB3 LEU B 86 20.171 8.916 -0.208 1.00 0.34 H new ATOM 0 HG LEU B 86 19.742 6.685 -1.534 1.00 0.42 H new ATOM 0 HD11 LEU B 86 17.360 6.079 -1.628 1.00 0.96 H new ATOM 0 HD12 LEU B 86 18.061 5.770 -0.022 1.00 0.96 H new ATOM 0 HD13 LEU B 86 17.028 7.195 -0.282 1.00 0.96 H new ATOM 0 HD21 LEU B 86 18.198 7.920 -3.021 1.00 1.03 H new ATOM 0 HD22 LEU B 86 17.915 9.108 -1.727 1.00 1.03 H new ATOM 0 HD23 LEU B 86 19.532 8.951 -2.452 1.00 1.03 H new ATOM 3046 N TRP B 87 19.502 6.936 3.142 1.00 0.28 N ATOM 3047 CA TRP B 87 18.756 6.243 4.180 1.00 0.29 C ATOM 3048 C TRP B 87 17.276 6.169 3.829 1.00 0.29 C ATOM 3049 O TRP B 87 16.616 7.186 3.600 1.00 0.39 O ATOM 3050 CB TRP B 87 18.967 6.909 5.539 1.00 0.33 C ATOM 3051 CG TRP B 87 20.296 6.572 6.139 1.00 0.38 C ATOM 3052 CD1 TRP B 87 21.452 7.290 6.028 1.00 0.47 C ATOM 3053 CD2 TRP B 87 20.613 5.419 6.927 1.00 0.40 C ATOM 3054 NE1 TRP B 87 22.466 6.656 6.705 1.00 0.53 N ATOM 3055 CE2 TRP B 87 21.976 5.506 7.266 1.00 0.48 C ATOM 3056 CE3 TRP B 87 19.875 4.323 7.382 1.00 0.43 C ATOM 3057 CZ2 TRP B 87 22.614 4.539 8.038 1.00 0.53 C ATOM 3058 CZ3 TRP B 87 20.511 3.364 8.148 1.00 0.50 C ATOM 3059 CH2 TRP B 87 21.868 3.478 8.468 1.00 0.53 C ATOM 0 H TRP B 87 19.791 7.884 3.386 1.00 0.28 H new ATOM 0 HA TRP B 87 19.135 5.223 4.245 1.00 0.29 H new ATOM 0 HB2 TRP B 87 18.885 7.990 5.427 1.00 0.33 H new ATOM 0 HB3 TRP B 87 18.175 6.598 6.220 1.00 0.33 H new ATOM 0 HD1 TRP B 87 21.554 8.219 5.488 1.00 0.47 H new ATOM 0 HE1 TRP B 87 23.428 6.988 6.778 1.00 0.53 H new ATOM 0 HE3 TRP B 87 18.827 4.227 7.140 1.00 0.43 H new ATOM 0 HZ2 TRP B 87 23.661 4.624 8.288 1.00 0.53 H new ATOM 0 HZ3 TRP B 87 19.951 2.513 8.505 1.00 0.50 H new ATOM 0 HH2 TRP B 87 22.336 2.711 9.068 1.00 0.53 H new ATOM 3070 N MET B 88 16.770 4.952 3.779 1.00 0.31 N ATOM 3071 CA MET B 88 15.385 4.702 3.437 1.00 0.39 C ATOM 3072 C MET B 88 14.709 3.851 4.503 1.00 0.37 C ATOM 3073 O MET B 88 15.221 2.797 4.880 1.00 0.40 O ATOM 3074 CB MET B 88 15.319 3.990 2.081 1.00 0.52 C ATOM 3075 CG MET B 88 13.928 3.513 1.698 1.00 0.73 C ATOM 3076 SD MET B 88 12.886 4.842 1.072 1.00 1.53 S ATOM 3077 CE MET B 88 13.776 5.294 -0.416 1.00 0.91 C ATOM 0 H MET B 88 17.309 4.108 3.975 1.00 0.31 H new ATOM 0 HA MET B 88 14.859 5.655 3.379 1.00 0.39 H new ATOM 0 HB2 MET B 88 15.685 4.667 1.309 1.00 0.52 H new ATOM 0 HB3 MET B 88 15.993 3.134 2.099 1.00 0.52 H new ATOM 0 HG2 MET B 88 14.011 2.734 0.940 1.00 0.73 H new ATOM 0 HG3 MET B 88 13.451 3.062 2.568 1.00 0.73 H new ATOM 0 HE1 MET B 88 13.065 5.500 -1.217 1.00 0.91 H new ATOM 0 HE2 MET B 88 14.376 6.184 -0.225 1.00 0.91 H new ATOM 0 HE3 MET B 88 14.429 4.473 -0.713 1.00 0.91 H new ATOM 3087 N ARG B 89 13.575 4.323 5.000 1.00 0.36 N ATOM 3088 CA ARG B 89 12.810 3.589 5.995 1.00 0.37 C ATOM 3089 C ARG B 89 11.689 2.847 5.282 1.00 0.36 C ATOM 3090 O ARG B 89 10.684 3.440 4.899 1.00 0.42 O ATOM 3091 CB ARG B 89 12.235 4.539 7.051 1.00 0.44 C ATOM 3092 CG ARG B 89 11.531 3.826 8.196 1.00 0.58 C ATOM 3093 CD ARG B 89 10.695 4.788 9.029 1.00 0.97 C ATOM 3094 NE ARG B 89 9.539 5.296 8.287 1.00 2.01 N ATOM 3095 CZ ARG B 89 8.428 5.765 8.856 1.00 2.63 C ATOM 3096 NH1 ARG B 89 8.296 5.755 10.174 1.00 2.41 N ATOM 3097 NH2 ARG B 89 7.438 6.227 8.098 1.00 3.80 N ATOM 0 H ARG B 89 13.163 5.216 4.728 1.00 0.36 H new ATOM 0 HA ARG B 89 13.460 2.882 6.510 1.00 0.37 H new ATOM 0 HB2 ARG B 89 13.042 5.149 7.456 1.00 0.44 H new ATOM 0 HB3 ARG B 89 11.531 5.219 6.571 1.00 0.44 H new ATOM 0 HG2 ARG B 89 10.891 3.040 7.796 1.00 0.58 H new ATOM 0 HG3 ARG B 89 12.271 3.341 8.833 1.00 0.58 H new ATOM 0 HD2 ARG B 89 10.352 4.282 9.932 1.00 0.97 H new ATOM 0 HD3 ARG B 89 11.316 5.624 9.349 1.00 0.97 H new ATOM 0 HE ARG B 89 9.587 5.291 7.268 1.00 2.01 H new ATOM 0 HH11 ARG B 89 9.046 5.387 10.759 1.00 2.41 H new ATOM 0 HH12 ARG B 89 7.444 6.115 10.604 1.00 2.41 H new ATOM 0 HH21 ARG B 89 7.529 6.222 7.082 1.00 3.80 H new ATOM 0 HH22 ARG B 89 6.588 6.586 8.532 1.00 3.80 H new ATOM 3111 N THR B 90 11.869 1.558 5.085 1.00 0.33 N ATOM 3112 CA THR B 90 10.884 0.761 4.380 1.00 0.34 C ATOM 3113 C THR B 90 9.924 0.060 5.334 1.00 0.31 C ATOM 3114 O THR B 90 10.298 -0.891 6.019 1.00 0.34 O ATOM 3115 CB THR B 90 11.580 -0.278 3.488 1.00 0.38 C ATOM 3116 OG1 THR B 90 12.568 0.377 2.687 1.00 0.43 O ATOM 3117 CG2 THR B 90 10.582 -0.994 2.590 1.00 0.43 C ATOM 0 H THR B 90 12.687 1.039 5.402 1.00 0.33 H new ATOM 0 HA THR B 90 10.300 1.443 3.762 1.00 0.34 H new ATOM 0 HB THR B 90 12.050 -1.024 4.128 1.00 0.38 H new ATOM 0 HG1 THR B 90 13.377 -0.174 2.650 1.00 0.43 H new ATOM 0 HG21 THR B 90 11.106 -1.722 1.972 1.00 0.43 H new ATOM 0 HG22 THR B 90 9.841 -1.506 3.205 1.00 0.43 H new ATOM 0 HG23 THR B 90 10.082 -0.267 1.950 1.00 0.43 H new ATOM 3125 N SER B 91 8.697 0.551 5.388 1.00 0.28 N ATOM 3126 CA SER B 91 7.673 -0.038 6.231 1.00 0.27 C ATOM 3127 C SER B 91 6.994 -1.182 5.483 1.00 0.23 C ATOM 3128 O SER B 91 6.093 -0.961 4.674 1.00 0.28 O ATOM 3129 CB SER B 91 6.647 1.024 6.638 1.00 0.36 C ATOM 3130 OG SER B 91 7.275 2.100 7.319 1.00 0.97 O ATOM 0 H SER B 91 8.386 1.362 4.853 1.00 0.28 H new ATOM 0 HA SER B 91 8.133 -0.431 7.137 1.00 0.27 H new ATOM 0 HB2 SER B 91 6.134 1.399 5.752 1.00 0.36 H new ATOM 0 HB3 SER B 91 5.888 0.576 7.279 1.00 0.36 H new ATOM 0 HG SER B 91 6.602 2.767 7.568 1.00 0.97 H new ATOM 3136 N SER B 92 7.450 -2.398 5.737 1.00 0.23 N ATOM 3137 CA SER B 92 6.903 -3.574 5.076 1.00 0.28 C ATOM 3138 C SER B 92 5.673 -4.093 5.814 1.00 0.26 C ATOM 3139 O SER B 92 5.697 -4.267 7.030 1.00 0.36 O ATOM 3140 CB SER B 92 7.968 -4.667 4.990 1.00 0.36 C ATOM 3141 OG SER B 92 9.173 -4.155 4.450 1.00 1.27 O ATOM 0 H SER B 92 8.200 -2.598 6.398 1.00 0.23 H new ATOM 0 HA SER B 92 6.599 -3.291 4.068 1.00 0.28 H new ATOM 0 HB2 SER B 92 8.155 -5.078 5.982 1.00 0.36 H new ATOM 0 HB3 SER B 92 7.605 -5.486 4.369 1.00 0.36 H new ATOM 0 HG SER B 92 9.826 -4.881 4.360 1.00 1.27 H new ATOM 3147 N PHE B 93 4.602 -4.323 5.073 1.00 0.25 N ATOM 3148 CA PHE B 93 3.362 -4.825 5.641 1.00 0.27 C ATOM 3149 C PHE B 93 2.958 -6.124 4.949 1.00 0.25 C ATOM 3150 O PHE B 93 2.929 -6.199 3.717 1.00 0.25 O ATOM 3151 CB PHE B 93 2.258 -3.773 5.489 1.00 0.33 C ATOM 3152 CG PHE B 93 0.925 -4.198 6.035 1.00 0.37 C ATOM 3153 CD1 PHE B 93 0.752 -4.416 7.393 1.00 0.47 C ATOM 3154 CD2 PHE B 93 -0.156 -4.383 5.188 1.00 0.35 C ATOM 3155 CE1 PHE B 93 -0.474 -4.807 7.895 1.00 0.54 C ATOM 3156 CE2 PHE B 93 -1.383 -4.774 5.684 1.00 0.41 C ATOM 3157 CZ PHE B 93 -1.542 -4.988 7.039 1.00 0.50 C ATOM 0 H PHE B 93 4.567 -4.168 4.065 1.00 0.25 H new ATOM 0 HA PHE B 93 3.510 -5.028 6.702 1.00 0.27 H new ATOM 0 HB2 PHE B 93 2.570 -2.859 5.994 1.00 0.33 H new ATOM 0 HB3 PHE B 93 2.145 -3.531 4.432 1.00 0.33 H new ATOM 0 HD1 PHE B 93 1.585 -4.279 8.066 1.00 0.47 H new ATOM 0 HD2 PHE B 93 -0.037 -4.219 4.127 1.00 0.35 H new ATOM 0 HE1 PHE B 93 -0.597 -4.971 8.955 1.00 0.54 H new ATOM 0 HE2 PHE B 93 -2.218 -4.912 5.013 1.00 0.41 H new ATOM 0 HZ PHE B 93 -2.501 -5.297 7.429 1.00 0.50 H new ATOM 3167 N THR B 94 2.671 -7.147 5.737 1.00 0.30 N ATOM 3168 CA THR B 94 2.271 -8.435 5.197 1.00 0.31 C ATOM 3169 C THR B 94 0.821 -8.399 4.717 1.00 0.33 C ATOM 3170 O THR B 94 -0.092 -8.115 5.493 1.00 0.37 O ATOM 3171 CB THR B 94 2.436 -9.545 6.249 1.00 0.38 C ATOM 3172 OG1 THR B 94 2.855 -8.976 7.501 1.00 0.59 O ATOM 3173 CG2 THR B 94 3.454 -10.576 5.789 1.00 0.37 C ATOM 0 H THR B 94 2.708 -7.110 6.756 1.00 0.30 H new ATOM 0 HA THR B 94 2.920 -8.651 4.348 1.00 0.31 H new ATOM 0 HB THR B 94 1.474 -10.040 6.379 1.00 0.38 H new ATOM 0 HG1 THR B 94 3.657 -9.441 7.820 1.00 0.59 H new ATOM 0 HG21 THR B 94 3.555 -11.352 6.548 1.00 0.37 H new ATOM 0 HG22 THR B 94 3.120 -11.025 4.854 1.00 0.37 H new ATOM 0 HG23 THR B 94 4.418 -10.092 5.635 1.00 0.37 H new ATOM 3181 N PHE B 95 0.619 -8.671 3.434 1.00 0.35 N ATOM 3182 CA PHE B 95 -0.715 -8.671 2.855 1.00 0.41 C ATOM 3183 C PHE B 95 -1.296 -10.082 2.871 1.00 0.45 C ATOM 3184 O PHE B 95 -0.903 -10.939 2.075 1.00 0.49 O ATOM 3185 CB PHE B 95 -0.678 -8.125 1.423 1.00 0.48 C ATOM 3186 CG PHE B 95 -2.037 -7.944 0.806 1.00 0.56 C ATOM 3187 CD1 PHE B 95 -2.813 -6.838 1.114 1.00 0.95 C ATOM 3188 CD2 PHE B 95 -2.538 -8.882 -0.084 1.00 0.91 C ATOM 3189 CE1 PHE B 95 -4.062 -6.671 0.547 1.00 1.03 C ATOM 3190 CE2 PHE B 95 -3.785 -8.720 -0.653 1.00 0.98 C ATOM 3191 CZ PHE B 95 -4.549 -7.614 -0.338 1.00 0.78 C ATOM 0 H PHE B 95 1.365 -8.895 2.775 1.00 0.35 H new ATOM 0 HA PHE B 95 -1.354 -8.023 3.454 1.00 0.41 H new ATOM 0 HB2 PHE B 95 -0.159 -7.166 1.423 1.00 0.48 H new ATOM 0 HB3 PHE B 95 -0.094 -8.803 0.801 1.00 0.48 H new ATOM 0 HD1 PHE B 95 -2.437 -6.098 1.805 1.00 0.95 H new ATOM 0 HD2 PHE B 95 -1.946 -9.749 -0.335 1.00 0.91 H new ATOM 0 HE1 PHE B 95 -4.657 -5.804 0.795 1.00 1.03 H new ATOM 0 HE2 PHE B 95 -4.163 -9.458 -1.345 1.00 0.98 H new ATOM 0 HZ PHE B 95 -5.525 -7.486 -0.782 1.00 0.78 H new ATOM 3201 N GLN B 96 -2.218 -10.318 3.789 1.00 0.51 N ATOM 3202 CA GLN B 96 -2.855 -11.618 3.919 1.00 0.56 C ATOM 3203 C GLN B 96 -4.286 -11.577 3.411 1.00 0.63 C ATOM 3204 O GLN B 96 -4.785 -10.532 2.995 1.00 0.71 O ATOM 3205 CB GLN B 96 -2.858 -12.071 5.379 1.00 0.60 C ATOM 3206 CG GLN B 96 -1.565 -12.723 5.826 1.00 0.74 C ATOM 3207 CD GLN B 96 -1.006 -12.074 7.068 1.00 0.88 C ATOM 3208 OE1 GLN B 96 -0.148 -11.197 6.990 1.00 1.41 O ATOM 3209 NE2 GLN B 96 -1.494 -12.489 8.226 1.00 0.91 N ATOM 0 H GLN B 96 -2.544 -9.622 4.459 1.00 0.51 H new ATOM 0 HA GLN B 96 -2.283 -12.325 3.318 1.00 0.56 H new ATOM 0 HB2 GLN B 96 -3.057 -11.209 6.016 1.00 0.60 H new ATOM 0 HB3 GLN B 96 -3.678 -12.774 5.529 1.00 0.60 H new ATOM 0 HG2 GLN B 96 -1.740 -13.782 6.017 1.00 0.74 H new ATOM 0 HG3 GLN B 96 -0.831 -12.661 5.023 1.00 0.74 H new ATOM 0 HE21 GLN B 96 -2.206 -13.220 8.247 1.00 0.91 H new ATOM 0 HE22 GLN B 96 -1.159 -12.078 9.097 1.00 0.91 H new ATOM 3218 N ASN B 97 -4.929 -12.730 3.432 1.00 0.73 N ATOM 3219 CA ASN B 97 -6.311 -12.851 3.008 1.00 0.91 C ATOM 3220 C ASN B 97 -7.169 -13.242 4.203 1.00 0.97 C ATOM 3221 O ASN B 97 -6.725 -14.007 5.060 1.00 0.97 O ATOM 3222 CB ASN B 97 -6.454 -13.906 1.910 1.00 1.06 C ATOM 3223 CG ASN B 97 -6.251 -13.355 0.513 1.00 1.43 C ATOM 3224 OD1 ASN B 97 -5.455 -12.303 0.388 1.00 1.94 O flip ATOM 3225 ND2 ASN B 97 -6.818 -13.868 -0.448 1.00 1.65 N flip ATOM 0 H ASN B 97 -4.509 -13.606 3.742 1.00 0.73 H new ATOM 0 HA ASN B 97 -6.639 -11.892 2.609 1.00 0.91 H new ATOM 0 HB2 ASN B 97 -5.732 -14.703 2.086 1.00 1.06 H new ATOM 0 HB3 ASN B 97 -7.445 -14.354 1.975 1.00 1.06 H new ATOM 0 HD21 ASN B 97 -7.423 -14.677 -0.311 1.00 1.65 H new ATOM 0 HD22 ASN B 97 -6.684 -13.485 -1.384 1.00 1.65 H new ATOM 3232 N PRO B 98 -8.400 -12.729 4.284 1.00 1.12 N ATOM 3233 CA PRO B 98 -9.312 -13.033 5.389 1.00 1.28 C ATOM 3234 C PRO B 98 -10.004 -14.385 5.215 1.00 1.35 C ATOM 3235 O PRO B 98 -11.187 -14.528 5.522 1.00 1.41 O ATOM 3236 CB PRO B 98 -10.332 -11.898 5.299 1.00 1.50 C ATOM 3237 CG PRO B 98 -10.399 -11.584 3.845 1.00 1.51 C ATOM 3238 CD PRO B 98 -9.007 -11.800 3.310 1.00 1.26 C ATOM 0 HA PRO B 98 -8.798 -13.101 6.348 1.00 1.28 H new ATOM 0 HB2 PRO B 98 -11.304 -12.204 5.686 1.00 1.50 H new ATOM 0 HB3 PRO B 98 -10.016 -11.031 5.880 1.00 1.50 H new ATOM 0 HG2 PRO B 98 -11.116 -12.230 3.339 1.00 1.51 H new ATOM 0 HG3 PRO B 98 -10.725 -10.557 3.682 1.00 1.51 H new ATOM 0 HD2 PRO B 98 -9.025 -12.226 2.307 1.00 1.26 H new ATOM 0 HD3 PRO B 98 -8.451 -10.864 3.249 1.00 1.26 H new ATOM 3246 N TYR B 99 -9.264 -15.370 4.722 1.00 1.39 N ATOM 3247 CA TYR B 99 -9.819 -16.697 4.492 1.00 1.52 C ATOM 3248 C TYR B 99 -9.010 -17.768 5.216 1.00 1.54 C ATOM 3249 O TYR B 99 -9.534 -18.483 6.068 1.00 1.80 O ATOM 3250 CB TYR B 99 -9.871 -16.990 2.989 1.00 1.68 C ATOM 3251 CG TYR B 99 -10.608 -15.927 2.206 1.00 1.87 C ATOM 3252 CD1 TYR B 99 -11.980 -15.755 2.354 1.00 2.26 C ATOM 3253 CD2 TYR B 99 -9.932 -15.082 1.336 1.00 1.83 C ATOM 3254 CE1 TYR B 99 -12.655 -14.775 1.653 1.00 2.61 C ATOM 3255 CE2 TYR B 99 -10.601 -14.099 0.635 1.00 2.10 C ATOM 3256 CZ TYR B 99 -11.961 -13.950 0.797 1.00 2.50 C ATOM 3257 OH TYR B 99 -12.626 -12.968 0.104 1.00 2.90 O ATOM 0 H TYR B 99 -8.279 -15.275 4.474 1.00 1.39 H new ATOM 0 HA TYR B 99 -10.832 -16.717 4.894 1.00 1.52 H new ATOM 0 HB2 TYR B 99 -8.854 -17.077 2.606 1.00 1.68 H new ATOM 0 HB3 TYR B 99 -10.355 -17.953 2.829 1.00 1.68 H new ATOM 0 HD1 TYR B 99 -12.526 -16.398 3.028 1.00 2.26 H new ATOM 0 HD2 TYR B 99 -8.866 -15.196 1.206 1.00 1.83 H new ATOM 0 HE1 TYR B 99 -13.721 -14.657 1.776 1.00 2.61 H new ATOM 0 HE2 TYR B 99 -10.061 -13.449 -0.038 1.00 2.10 H new ATOM 0 HH TYR B 99 -12.128 -12.749 -0.711 1.00 2.90 H new ATOM 3267 N SER B 100 -7.733 -17.871 4.884 1.00 1.37 N ATOM 3268 CA SER B 100 -6.864 -18.864 5.500 1.00 1.42 C ATOM 3269 C SER B 100 -5.623 -18.208 6.092 1.00 1.24 C ATOM 3270 O SER B 100 -4.651 -18.895 6.424 1.00 1.29 O ATOM 3271 CB SER B 100 -6.452 -19.904 4.457 1.00 1.52 C ATOM 3272 OG SER B 100 -7.266 -19.815 3.297 1.00 2.27 O ATOM 0 H SER B 100 -7.274 -17.279 4.191 1.00 1.37 H new ATOM 0 HA SER B 100 -7.412 -19.351 6.306 1.00 1.42 H new ATOM 0 HB2 SER B 100 -5.407 -19.756 4.184 1.00 1.52 H new ATOM 0 HB3 SER B 100 -6.531 -20.903 4.885 1.00 1.52 H new ATOM 0 HG SER B 100 -6.847 -19.211 2.649 1.00 2.27 H new ATOM 3278 N ASP B 101 -5.656 -16.878 6.209 1.00 1.08 N ATOM 3279 CA ASP B 101 -4.528 -16.116 6.750 1.00 0.96 C ATOM 3280 C ASP B 101 -3.292 -16.324 5.871 1.00 0.87 C ATOM 3281 O ASP B 101 -2.153 -16.305 6.339 1.00 0.91 O ATOM 3282 CB ASP B 101 -4.258 -16.537 8.203 1.00 1.15 C ATOM 3283 CG ASP B 101 -3.231 -15.670 8.904 1.00 1.33 C ATOM 3284 OD1 ASP B 101 -3.290 -14.431 8.768 1.00 2.06 O ATOM 3285 OD2 ASP B 101 -2.361 -16.232 9.603 1.00 1.27 O ATOM 0 H ASP B 101 -6.454 -16.305 5.935 1.00 1.08 H new ATOM 0 HA ASP B 101 -4.771 -15.054 6.748 1.00 0.96 H new ATOM 0 HB2 ASP B 101 -5.193 -16.503 8.762 1.00 1.15 H new ATOM 0 HB3 ASP B 101 -3.917 -17.572 8.215 1.00 1.15 H new ATOM 3290 N GLU B 102 -3.536 -16.522 4.583 1.00 0.88 N ATOM 3291 CA GLU B 102 -2.471 -16.749 3.622 1.00 0.85 C ATOM 3292 C GLU B 102 -1.827 -15.432 3.208 1.00 0.72 C ATOM 3293 O GLU B 102 -2.515 -14.432 3.003 1.00 0.72 O ATOM 3294 CB GLU B 102 -3.010 -17.490 2.389 1.00 1.03 C ATOM 3295 CG GLU B 102 -4.164 -16.784 1.686 1.00 1.30 C ATOM 3296 CD GLU B 102 -5.524 -17.167 2.239 1.00 1.72 C ATOM 3297 OE1 GLU B 102 -5.910 -16.644 3.304 1.00 2.51 O ATOM 3298 OE2 GLU B 102 -6.219 -17.988 1.607 1.00 1.82 O ATOM 0 H GLU B 102 -4.472 -16.529 4.179 1.00 0.88 H new ATOM 0 HA GLU B 102 -1.710 -17.368 4.097 1.00 0.85 H new ATOM 0 HB2 GLU B 102 -2.196 -17.627 1.677 1.00 1.03 H new ATOM 0 HB3 GLU B 102 -3.339 -18.484 2.692 1.00 1.03 H new ATOM 0 HG2 GLU B 102 -4.032 -15.706 1.778 1.00 1.30 H new ATOM 0 HG3 GLU B 102 -4.132 -17.020 0.622 1.00 1.30 H new ATOM 3305 N ILE B 103 -0.506 -15.436 3.098 1.00 0.68 N ATOM 3306 CA ILE B 103 0.231 -14.245 2.708 1.00 0.59 C ATOM 3307 C ILE B 103 0.410 -14.207 1.197 1.00 0.61 C ATOM 3308 O ILE B 103 1.197 -14.975 0.638 1.00 0.74 O ATOM 3309 CB ILE B 103 1.621 -14.189 3.379 1.00 0.62 C ATOM 3310 CG1 ILE B 103 1.499 -14.424 4.889 1.00 0.67 C ATOM 3311 CG2 ILE B 103 2.286 -12.847 3.098 1.00 0.56 C ATOM 3312 CD1 ILE B 103 2.832 -14.521 5.600 1.00 0.99 C ATOM 0 H ILE B 103 0.078 -16.254 3.274 1.00 0.68 H new ATOM 0 HA ILE B 103 -0.349 -13.383 3.038 1.00 0.59 H new ATOM 0 HB ILE B 103 2.243 -14.980 2.960 1.00 0.62 H new ATOM 0 HG12 ILE B 103 0.921 -13.611 5.329 1.00 0.67 H new ATOM 0 HG13 ILE B 103 0.938 -15.343 5.061 1.00 0.67 H new ATOM 0 HG21 ILE B 103 3.265 -12.819 3.576 1.00 0.56 H new ATOM 0 HG22 ILE B 103 2.404 -12.717 2.022 1.00 0.56 H new ATOM 0 HG23 ILE B 103 1.666 -12.043 3.495 1.00 0.56 H new ATOM 0 HD11 ILE B 103 2.665 -14.687 6.664 1.00 0.99 H new ATOM 0 HD12 ILE B 103 3.404 -15.352 5.188 1.00 0.99 H new ATOM 0 HD13 ILE B 103 3.387 -13.593 5.460 1.00 0.99 H new ATOM 3324 N GLU B 104 -0.330 -13.323 0.541 1.00 0.54 N ATOM 3325 CA GLU B 104 -0.250 -13.187 -0.908 1.00 0.59 C ATOM 3326 C GLU B 104 1.074 -12.550 -1.310 1.00 0.51 C ATOM 3327 O GLU B 104 1.770 -13.044 -2.196 1.00 0.56 O ATOM 3328 CB GLU B 104 -1.416 -12.350 -1.439 1.00 0.69 C ATOM 3329 CG GLU B 104 -2.765 -13.036 -1.311 1.00 0.85 C ATOM 3330 CD GLU B 104 -3.726 -12.622 -2.404 1.00 1.06 C ATOM 3331 OE1 GLU B 104 -3.578 -13.112 -3.543 1.00 1.44 O ATOM 3332 OE2 GLU B 104 -4.630 -11.801 -2.137 1.00 1.33 O ATOM 0 H GLU B 104 -0.992 -12.689 0.989 1.00 0.54 H new ATOM 0 HA GLU B 104 -0.310 -14.183 -1.346 1.00 0.59 H new ATOM 0 HB2 GLU B 104 -1.447 -11.403 -0.901 1.00 0.69 H new ATOM 0 HB3 GLU B 104 -1.235 -12.115 -2.488 1.00 0.69 H new ATOM 0 HG2 GLU B 104 -2.625 -14.117 -1.343 1.00 0.85 H new ATOM 0 HG3 GLU B 104 -3.199 -12.800 -0.340 1.00 0.85 H new ATOM 3339 N TYR B 105 1.409 -11.450 -0.651 1.00 0.42 N ATOM 3340 CA TYR B 105 2.650 -10.739 -0.920 1.00 0.40 C ATOM 3341 C TYR B 105 2.929 -9.736 0.192 1.00 0.33 C ATOM 3342 O TYR B 105 2.186 -9.660 1.171 1.00 0.37 O ATOM 3343 CB TYR B 105 2.606 -10.033 -2.285 1.00 0.46 C ATOM 3344 CG TYR B 105 1.428 -9.100 -2.485 1.00 0.47 C ATOM 3345 CD1 TYR B 105 1.463 -7.790 -2.027 1.00 0.45 C ATOM 3346 CD2 TYR B 105 0.285 -9.529 -3.152 1.00 0.59 C ATOM 3347 CE1 TYR B 105 0.396 -6.936 -2.224 1.00 0.55 C ATOM 3348 CE2 TYR B 105 -0.788 -8.682 -3.349 1.00 0.67 C ATOM 3349 CZ TYR B 105 -0.728 -7.386 -2.884 1.00 0.65 C ATOM 3350 OH TYR B 105 -1.787 -6.531 -3.089 1.00 0.77 O ATOM 0 H TYR B 105 0.834 -11.029 0.079 1.00 0.42 H new ATOM 0 HA TYR B 105 3.459 -11.468 -0.951 1.00 0.40 H new ATOM 0 HB2 TYR B 105 3.527 -9.464 -2.413 1.00 0.46 H new ATOM 0 HB3 TYR B 105 2.588 -10.790 -3.069 1.00 0.46 H new ATOM 0 HD1 TYR B 105 2.340 -7.433 -1.508 1.00 0.45 H new ATOM 0 HD2 TYR B 105 0.236 -10.542 -3.522 1.00 0.59 H new ATOM 0 HE1 TYR B 105 0.442 -5.919 -1.862 1.00 0.55 H new ATOM 0 HE2 TYR B 105 -1.669 -9.033 -3.865 1.00 0.67 H new ATOM 0 HH TYR B 105 -1.498 -5.608 -2.929 1.00 0.77 H new ATOM 3360 N ILE B 106 3.993 -8.964 0.040 1.00 0.26 N ATOM 3361 CA ILE B 106 4.364 -7.979 1.037 1.00 0.25 C ATOM 3362 C ILE B 106 4.445 -6.591 0.418 1.00 0.26 C ATOM 3363 O ILE B 106 5.235 -6.355 -0.499 1.00 0.28 O ATOM 3364 CB ILE B 106 5.726 -8.316 1.685 1.00 0.26 C ATOM 3365 CG1 ILE B 106 5.737 -9.757 2.203 1.00 0.31 C ATOM 3366 CG2 ILE B 106 6.028 -7.349 2.821 1.00 0.30 C ATOM 3367 CD1 ILE B 106 7.128 -10.330 2.363 1.00 0.36 C ATOM 0 H ILE B 106 4.615 -9.003 -0.767 1.00 0.26 H new ATOM 0 HA ILE B 106 3.591 -7.996 1.806 1.00 0.25 H new ATOM 0 HB ILE B 106 6.499 -8.216 0.923 1.00 0.26 H new ATOM 0 HG12 ILE B 106 5.225 -9.793 3.165 1.00 0.31 H new ATOM 0 HG13 ILE B 106 5.170 -10.386 1.516 1.00 0.31 H new ATOM 0 HG21 ILE B 106 6.991 -7.600 3.267 1.00 0.30 H new ATOM 0 HG22 ILE B 106 6.062 -6.331 2.433 1.00 0.30 H new ATOM 0 HG23 ILE B 106 5.248 -7.422 3.578 1.00 0.30 H new ATOM 0 HD11 ILE B 106 7.060 -11.353 2.733 1.00 0.36 H new ATOM 0 HD12 ILE B 106 7.636 -10.326 1.399 1.00 0.36 H new ATOM 0 HD13 ILE B 106 7.692 -9.724 3.073 1.00 0.36 H new ATOM 3379 N ILE B 107 3.618 -5.684 0.908 1.00 0.29 N ATOM 3380 CA ILE B 107 3.618 -4.311 0.427 1.00 0.34 C ATOM 3381 C ILE B 107 4.594 -3.506 1.264 1.00 0.40 C ATOM 3382 O ILE B 107 4.610 -3.631 2.484 1.00 0.52 O ATOM 3383 CB ILE B 107 2.215 -3.666 0.491 1.00 0.44 C ATOM 3384 CG1 ILE B 107 1.287 -4.474 1.407 1.00 0.46 C ATOM 3385 CG2 ILE B 107 1.629 -3.554 -0.909 1.00 0.53 C ATOM 3386 CD1 ILE B 107 -0.110 -3.903 1.527 1.00 0.79 C ATOM 0 H ILE B 107 2.935 -5.873 1.641 1.00 0.29 H new ATOM 0 HA ILE B 107 3.918 -4.316 -0.621 1.00 0.34 H new ATOM 0 HB ILE B 107 2.310 -2.664 0.910 1.00 0.44 H new ATOM 0 HG12 ILE B 107 1.220 -5.495 1.030 1.00 0.46 H new ATOM 0 HG13 ILE B 107 1.732 -4.530 2.400 1.00 0.46 H new ATOM 0 HG21 ILE B 107 0.640 -3.098 -0.854 1.00 0.53 H new ATOM 0 HG22 ILE B 107 2.280 -2.936 -1.527 1.00 0.53 H new ATOM 0 HG23 ILE B 107 1.547 -4.548 -1.350 1.00 0.53 H new ATOM 0 HD11 ILE B 107 -0.704 -4.531 2.191 1.00 0.79 H new ATOM 0 HD12 ILE B 107 -0.057 -2.893 1.934 1.00 0.79 H new ATOM 0 HD13 ILE B 107 -0.577 -3.873 0.542 1.00 0.79 H new ATOM 3398 N CYS B 108 5.423 -2.703 0.628 1.00 0.39 N ATOM 3399 CA CYS B 108 6.402 -1.931 1.367 1.00 0.47 C ATOM 3400 C CYS B 108 6.225 -0.436 1.160 1.00 0.37 C ATOM 3401 O CYS B 108 6.163 0.050 0.029 1.00 0.43 O ATOM 3402 CB CYS B 108 7.820 -2.351 0.972 1.00 0.61 C ATOM 3403 SG CYS B 108 8.193 -2.155 -0.786 1.00 1.55 S ATOM 0 H CYS B 108 5.440 -2.569 -0.383 1.00 0.39 H new ATOM 0 HA CYS B 108 6.245 -2.138 2.426 1.00 0.47 H new ATOM 0 HB2 CYS B 108 8.534 -1.765 1.550 1.00 0.61 H new ATOM 0 HB3 CYS B 108 7.967 -3.395 1.248 1.00 0.61 H new ATOM 0 HG CYS B 108 8.747 -0.996 -0.985 1.00 1.55 H new ATOM 3409 N THR B 109 6.111 0.278 2.265 1.00 0.32 N ATOM 3410 CA THR B 109 5.991 1.718 2.238 1.00 0.29 C ATOM 3411 C THR B 109 7.376 2.323 2.415 1.00 0.26 C ATOM 3412 O THR B 109 7.866 2.480 3.536 1.00 0.27 O ATOM 3413 CB THR B 109 5.052 2.223 3.346 1.00 0.39 C ATOM 3414 OG1 THR B 109 3.832 1.472 3.315 1.00 0.48 O ATOM 3415 CG2 THR B 109 4.752 3.706 3.171 1.00 0.49 C ATOM 0 H THR B 109 6.099 -0.125 3.202 1.00 0.32 H new ATOM 0 HA THR B 109 5.564 2.020 1.282 1.00 0.29 H new ATOM 0 HB THR B 109 5.544 2.087 4.309 1.00 0.39 H new ATOM 0 HG1 THR B 109 3.542 1.282 4.231 1.00 0.48 H new ATOM 0 HG21 THR B 109 4.086 4.039 3.967 1.00 0.49 H new ATOM 0 HG22 THR B 109 5.682 4.273 3.215 1.00 0.49 H new ATOM 0 HG23 THR B 109 4.273 3.869 2.205 1.00 0.49 H new ATOM 3423 N ASN B 110 8.016 2.613 1.300 1.00 0.35 N ATOM 3424 CA ASN B 110 9.355 3.171 1.304 1.00 0.40 C ATOM 3425 C ASN B 110 9.328 4.658 1.621 1.00 0.45 C ATOM 3426 O ASN B 110 9.081 5.489 0.746 1.00 0.57 O ATOM 3427 CB ASN B 110 10.032 2.932 -0.047 1.00 0.53 C ATOM 3428 CG ASN B 110 10.338 1.467 -0.300 1.00 1.18 C ATOM 3429 OD1 ASN B 110 9.483 0.710 -0.764 1.00 1.84 O ATOM 3430 ND2 ASN B 110 11.560 1.056 -0.004 1.00 1.84 N ATOM 0 H ASN B 110 7.625 2.470 0.369 1.00 0.35 H new ATOM 0 HA ASN B 110 9.928 2.668 2.083 1.00 0.40 H new ATOM 0 HB2 ASN B 110 9.388 3.307 -0.842 1.00 0.53 H new ATOM 0 HB3 ASN B 110 10.958 3.505 -0.091 1.00 0.53 H new ATOM 0 HD21 ASN B 110 11.822 0.082 -0.158 1.00 1.84 H new ATOM 0 HD22 ASN B 110 12.240 1.713 0.379 1.00 1.84 H new ATOM 3437 N THR B 111 9.562 4.979 2.883 1.00 0.39 N ATOM 3438 CA THR B 111 9.587 6.361 3.330 1.00 0.41 C ATOM 3439 C THR B 111 11.034 6.838 3.447 1.00 0.38 C ATOM 3440 O THR B 111 11.764 6.437 4.357 1.00 0.43 O ATOM 3441 CB THR B 111 8.859 6.535 4.685 1.00 0.45 C ATOM 3442 OG1 THR B 111 9.260 5.514 5.607 1.00 0.50 O ATOM 3443 CG2 THR B 111 7.350 6.477 4.512 1.00 0.52 C ATOM 0 H THR B 111 9.738 4.296 3.620 1.00 0.39 H new ATOM 0 HA THR B 111 9.060 6.965 2.591 1.00 0.41 H new ATOM 0 HB THR B 111 9.134 7.514 5.077 1.00 0.45 H new ATOM 0 HG1 THR B 111 10.070 5.073 5.275 1.00 0.50 H new ATOM 0 HG21 THR B 111 6.868 6.602 5.481 1.00 0.52 H new ATOM 0 HG22 THR B 111 7.030 7.274 3.841 1.00 0.52 H new ATOM 0 HG23 THR B 111 7.069 5.513 4.089 1.00 0.52 H new ATOM 3451 N ASN B 112 11.453 7.668 2.507 1.00 0.36 N ATOM 3452 CA ASN B 112 12.817 8.185 2.490 1.00 0.36 C ATOM 3453 C ASN B 112 13.060 9.164 3.638 1.00 0.34 C ATOM 3454 O ASN B 112 12.291 10.106 3.841 1.00 0.37 O ATOM 3455 CB ASN B 112 13.102 8.860 1.145 1.00 0.45 C ATOM 3456 CG ASN B 112 14.298 9.787 1.195 1.00 0.39 C ATOM 3457 OD1 ASN B 112 14.168 10.967 1.515 1.00 0.71 O ATOM 3458 ND2 ASN B 112 15.470 9.264 0.876 1.00 0.42 N ATOM 0 H ASN B 112 10.868 8.001 1.741 1.00 0.36 H new ATOM 0 HA ASN B 112 13.499 7.345 2.623 1.00 0.36 H new ATOM 0 HB2 ASN B 112 13.273 8.094 0.388 1.00 0.45 H new ATOM 0 HB3 ASN B 112 12.223 9.425 0.834 1.00 0.45 H new ATOM 0 HD21 ASN B 112 16.308 9.845 0.890 1.00 0.42 H new ATOM 0 HD22 ASN B 112 15.536 8.280 0.616 1.00 0.42 H new ATOM 3465 N VAL B 113 14.138 8.938 4.383 1.00 0.36 N ATOM 3466 CA VAL B 113 14.485 9.800 5.507 1.00 0.44 C ATOM 3467 C VAL B 113 15.798 10.538 5.252 1.00 0.50 C ATOM 3468 O VAL B 113 16.312 11.230 6.128 1.00 0.78 O ATOM 3469 CB VAL B 113 14.598 9.013 6.834 1.00 0.52 C ATOM 3470 CG1 VAL B 113 13.221 8.612 7.337 1.00 0.98 C ATOM 3471 CG2 VAL B 113 15.486 7.789 6.672 1.00 0.83 C ATOM 0 H VAL B 113 14.786 8.165 4.228 1.00 0.36 H new ATOM 0 HA VAL B 113 13.673 10.521 5.600 1.00 0.44 H new ATOM 0 HB VAL B 113 15.060 9.667 7.574 1.00 0.52 H new ATOM 0 HG11 VAL B 113 13.322 8.059 8.271 1.00 0.98 H new ATOM 0 HG12 VAL B 113 12.621 9.506 7.507 1.00 0.98 H new ATOM 0 HG13 VAL B 113 12.731 7.982 6.594 1.00 0.98 H new ATOM 0 HG21 VAL B 113 15.547 7.256 7.621 1.00 0.83 H new ATOM 0 HG22 VAL B 113 15.064 7.131 5.912 1.00 0.83 H new ATOM 0 HG23 VAL B 113 16.485 8.102 6.367 1.00 0.83 H new ATOM 3481 N LYS B 114 16.328 10.405 4.044 1.00 0.66 N ATOM 3482 CA LYS B 114 17.579 11.060 3.690 1.00 0.80 C ATOM 3483 C LYS B 114 17.469 11.706 2.316 1.00 0.96 C ATOM 3484 O LYS B 114 17.470 10.967 1.312 1.00 1.54 O ATOM 3485 CB LYS B 114 18.733 10.052 3.714 1.00 1.37 C ATOM 3486 CG LYS B 114 20.112 10.690 3.634 1.00 1.56 C ATOM 3487 CD LYS B 114 20.346 11.678 4.769 1.00 2.38 C ATOM 3488 CE LYS B 114 20.235 11.014 6.135 1.00 2.81 C ATOM 3489 NZ LYS B 114 20.303 12.009 7.236 1.00 3.21 N ATOM 3490 OXT LYS B 114 17.369 12.950 2.247 1.00 0.67 O ATOM 0 H LYS B 114 15.913 9.851 3.295 1.00 0.66 H new ATOM 0 HA LYS B 114 17.783 11.839 4.424 1.00 0.80 H new ATOM 0 HB2 LYS B 114 18.669 9.463 4.629 1.00 1.37 H new ATOM 0 HB3 LYS B 114 18.615 9.360 2.880 1.00 1.37 H new ATOM 0 HG2 LYS B 114 20.875 9.912 3.667 1.00 1.56 H new ATOM 0 HG3 LYS B 114 20.220 11.203 2.678 1.00 1.56 H new ATOM 0 HD2 LYS B 114 21.334 12.125 4.662 1.00 2.38 H new ATOM 0 HD3 LYS B 114 19.620 12.488 4.700 1.00 2.38 H new ATOM 0 HE2 LYS B 114 19.295 10.465 6.198 1.00 2.81 H new ATOM 0 HE3 LYS B 114 21.038 10.286 6.252 1.00 2.81 H new ATOM 0 HZ1 LYS B 114 20.224 11.521 8.151 1.00 3.21 H new ATOM 0 HZ2 LYS B 114 21.210 12.515 7.191 1.00 3.21 H new ATOM 0 HZ3 LYS B 114 19.522 12.689 7.138 1.00 3.21 H new