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 180:sc= 0.952 USER MOD Set 1.2: B 91 SER OG : rot -78:sc= 1.05 USER MOD Set 2.1: B 35 TYR OH : rot 77:sc= 0.874 USER MOD Set 2.2: B 83 GLN : amide:sc= 1.06 K(o=1.9,f=-2.5!) USER MOD Set 3.1: B 16 HIS : no HE2:sc= 1.77 K(o=5,f=-13!) USER MOD Set 3.2: B 92 SER OG : rot -75:sc= 1.41 USER MOD Set 3.3: B 108 CYS SG : rot 154:sc= 1.78 USER MOD Set 4.1: B 14 SER OG : rot -71:sc= 1.01 USER MOD Set 4.2: B 88 MET CE :methyl 126:sc= -0.0329 (180deg=-1.27) USER MOD Set 4.3: B 90 THR OG1 : rot -69:sc= 0.218 USER MOD Set 4.4: B 110 ASN : amide:sc= 0.0305 K(o=1.2,f=-6.3!) USER MOD Set 5.1: A 70 GLN : amide:sc= -0.089 X(o=-0.089,f=-0.027) USER MOD Set 5.2: A 109 SER OG : rot 180:sc= 0 USER MOD Set 6.1: A 102 MET CE :methyl 150:sc= -0.986 (180deg=-2.6!) USER MOD Set 6.2: B 109 THR OG1 : rot 77:sc= 0.348 USER MOD Set 7.1: A 92 ASN : amide:sc= 0.544 K(o=-2.4,f=-12!) USER MOD Set 7.2: A 99 GLN : amide:sc= 0.652 K(o=-2.4,f=-12) USER MOD Set 7.3: A 100 CYS SG : rot 100:sc= -3.58! USER MOD Set 8.1: A 10 SER OG : rot -115:sc= 1.23 USER MOD Set 8.2: A 12 HIS : no HE2:sc= 2.16 K(o=7.2,f=-2.4!) USER MOD Set 8.3: A 16 MET CE :methyl 168:sc= 0 (180deg=-0.0783) USER MOD Set 8.4: A 45 TYR OH : rot -133:sc= 0.935 USER MOD Set 8.5: A 53 MET CE :methyl -177:sc= -0.265 (180deg=-0.276) USER MOD Set 8.6: A 68 SER OG : rot 180:sc= 0 USER MOD Set 8.7: A 71 TYR OH : rot -166:sc= 1.77 USER MOD Set 8.8: A 85 THR OG1 : rot -48:sc= 0.891 USER MOD Set 8.9: A 103 CYS SG : rot 41:sc= 0.694 USER MOD Set 8.10: A 105 ASN : amide:sc= -0.22 K(o=7.2,f=6.6) USER MOD Set 9.1: A 65 GLN : amide:sc= 1.54 K(o=3.5,f=-3.1) USER MOD Set 9.2: A 88 THR OG1 : rot 157:sc= 1.44 USER MOD Set 9.3: B 70 GLN : amide:sc= 0.505 K(o=3.5,f=-3.1!) USER MOD Set10.1: A 59 ASN : amide:sc= -1.28 K(o=-0.41,f=-11!) USER MOD Set10.2: A 63 LYS NZ :NH3+ -179:sc= 0.872 (180deg=-0.068) USER MOD Set11.1: A 42 TYR OH : rot -30:sc= 0.915 USER MOD Set11.2: A 57 HIS : no HE2:sc= -0.211 K(o=0.7,f=-6.7!) USER MOD Set12.1: A 13 SER OG : rot 130:sc= 1.03 USER MOD Set12.2: A 19 THR OG1 : rot -100:sc= 1.2 USER MOD Set13.1: A 7 THR OG1 : rot 91:sc= 1.19 USER MOD Set13.2: B 97 ASN : amide:sc= 1.83 K(o=3,f=-1.2) USER MOD Single : A 6 LYS NZ :NH3+ -158:sc= 1.13 (180deg=1.1) USER MOD Single : A 14 MET CE :methyl 159:sc= -0.16 (180deg=-0.695) USER MOD Single : A 17 LYS NZ :NH3+ 168:sc= 1.25 (180deg=1.04) USER MOD Single : A 20 TYR OH : rot -125:sc= 1.27 USER MOD Single : A 21 CYS SG : rot 122:sc= -2.99! USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.127 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HD1:sc= -0.177 X(o=-0.18,f=-0.076) USER MOD Single : A 40 SER OG : rot 88:sc= 1.41 USER MOD Single : A 46 HIS : +bothHN:sc= -4.47! C(o=-4.5!,f=-10!) USER MOD Single : A 50 SER OG : rot -53:sc= 1.25 USER MOD Single : A 52 ASN : amide:sc=-0.00164 X(o=-0.0016,f=-0.46) USER MOD Single : A 54 THR OG1 : rot 64:sc= 1.27 USER MOD Single : A 55 LYS NZ :NH3+ 159:sc= 1.21 (180deg=1.07) USER MOD Single : A 56 SER OG : rot 99:sc= 1.22 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 61 CYS SG : rot 67:sc= 1.24 USER MOD Single : A 62 THR OG1 : 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+ 162:sc= -0.0466 (180deg=-0.315) USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=-0.0012) USER MOD Single : A 80 TYR OH : rot 180:sc= -0.156 USER MOD Single : A 86 GLN : amide:sc= -0.63 K(o=-0.63,f=-5.5!) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= -0.0142 X(o=-0.014,f=0) USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 106 TYR OH : rot 30:sc= 0 USER MOD Single : B 7 CYS SG : rot 1:sc= 0.316 USER MOD Single : B 8 GLN : amide:sc= 0.388 K(o=0.39,f=-1.8!) USER MOD Single : B 10 THR OG1 : rot -120:sc= 0.0624 USER MOD Single : B 17 ASN : amide:sc= 0.403 K(o=0.4,f=-8.5!) USER MOD Single : B 23 THR OG1 : rot 180:sc= 0 USER MOD Single : B 27 HIS : no HD1:sc= 0.00186 K(o=0.0019,f=-3!) USER MOD Single : B 29 CYS SG : rot 101:sc= -0.877 USER MOD Single : B 32 THR OG1 : rot 79:sc= 1.18 USER MOD Single : B 36 GLN : amide:sc= 0.136 X(o=0.14,f=-0.00067) USER MOD Single : B 38 GLN : amide:sc= 0.943 K(o=0.94,f=-6.8!) USER MOD Single : B 43 LYS NZ :NH3+ 165:sc= 1.16 (180deg=0.87) USER MOD Single : B 44 ASN : amide:sc= 0.0306 X(o=0.031,f=-0.018) USER MOD Single : B 49 CYS SG : rot 70:sc= 0.454 USER MOD Single : B 50 HIS : no HE2:sc= 0.41 K(o=0.41,f=-5.3!) USER MOD Single : B 54 GLN : amide:sc= 0.472 K(o=0.47,f=-0.51) USER MOD Single : B 55 GLN : amide:sc= -0.632 K(o=-0.63,f=-3.1!) USER MOD Single : B 60 SER OG : rot 72:sc= 1.23 USER MOD Single : B 62 GLN :FLIP amide:sc= -0.198 F(o=-0.85,f=-0.2) USER MOD Single : B 63 GLN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : B 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 68 LYS NZ :NH3+ -166:sc= 1.33 (180deg=1.15) USER MOD Single : B 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 80 SER OG : rot 140:sc= -0.783 USER MOD Single : B 81 LYS NZ :NH3+ -157:sc= 0.445 (180deg=0.000797!) USER MOD Single : B 82 ASN : amide:sc= 1.11 K(o=1.1,f=-0.056) USER MOD Single : B 94 THR OG1 : rot -118:sc= 0.849 USER MOD Single : B 96 GLN : amide:sc= -0.632! K(o=-0.63!,f=-2) USER MOD Single : B 99 TYR OH : rot -162:sc= 0.935 USER MOD Single : B 100 SER OG : rot 180:sc= 0 USER MOD Single : B 105 TYR OH : rot 64:sc= 1.26 USER MOD Single : B 111 THR OG1 : rot -139:sc= -0.419 USER MOD Single : B 112 ASN : amide:sc= -0.713! C(o=-0.71!,f=-6!) USER MOD Single : B 114 LYS NZ :NH3+ 153:sc= 1.13 (180deg=0.605) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 6 -10.649 -12.111 -3.912 1.00 0.00 N ATOM 2 CA LYS A 6 -9.318 -11.481 -4.001 1.00 0.00 C ATOM 3 C LYS A 6 -9.200 -10.341 -2.996 1.00 0.00 C ATOM 4 O LYS A 6 -10.172 -9.986 -2.333 1.00 0.00 O ATOM 5 CB LYS A 6 -9.065 -10.963 -5.418 1.00 0.00 C ATOM 6 CG LYS A 6 -9.292 -12.009 -6.500 1.00 0.00 C ATOM 7 CD LYS A 6 -8.821 -11.519 -7.858 1.00 0.00 C ATOM 8 CE LYS A 6 -9.215 -12.487 -8.961 1.00 0.00 C ATOM 9 NZ LYS A 6 -8.205 -12.532 -10.050 1.00 0.00 N ATOM 0 HA LYS A 6 -8.566 -12.234 -3.765 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -9.718 -10.111 -5.606 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -8.039 -10.600 -5.485 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -8.762 -12.925 -6.239 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -10.352 -12.258 -6.550 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -9.250 -10.538 -8.062 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -7.738 -11.397 -7.848 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -9.339 -13.485 -8.540 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -10.180 -12.193 -9.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -8.650 -12.885 -10.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -7.830 -11.576 -10.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -7.428 -13.166 -9.776 1.00 0.00 H new ATOM 25 N THR A 7 -8.003 -9.789 -2.876 1.00 0.00 N ATOM 26 CA THR A 7 -7.747 -8.688 -1.959 1.00 0.00 C ATOM 27 C THR A 7 -6.792 -7.692 -2.610 1.00 0.00 C ATOM 28 O THR A 7 -5.911 -8.090 -3.373 1.00 0.00 O ATOM 29 CB THR A 7 -7.139 -9.202 -0.636 1.00 0.00 C ATOM 30 OG1 THR A 7 -7.794 -10.411 -0.236 1.00 0.00 O ATOM 31 CG2 THR A 7 -7.270 -8.168 0.471 1.00 0.00 C ATOM 0 H THR A 7 -7.186 -10.089 -3.408 1.00 0.00 H new ATOM 0 HA THR A 7 -8.694 -8.198 -1.735 1.00 0.00 H new ATOM 0 HB THR A 7 -6.079 -9.393 -0.806 1.00 0.00 H new ATOM 0 HG1 THR A 7 -7.315 -11.181 -0.607 1.00 0.00 H new ATOM 0 HG21 THR A 7 -6.833 -8.560 1.389 1.00 0.00 H new ATOM 0 HG22 THR A 7 -6.748 -7.256 0.181 1.00 0.00 H new ATOM 0 HG23 THR A 7 -8.324 -7.945 0.638 1.00 0.00 H new ATOM 39 N PHE A 8 -6.968 -6.406 -2.328 1.00 0.00 N ATOM 40 CA PHE A 8 -6.107 -5.385 -2.912 1.00 0.00 C ATOM 41 C PHE A 8 -5.830 -4.259 -1.920 1.00 0.00 C ATOM 42 O PHE A 8 -6.555 -4.087 -0.935 1.00 0.00 O ATOM 43 CB PHE A 8 -6.733 -4.821 -4.196 1.00 0.00 C ATOM 44 CG PHE A 8 -7.893 -3.889 -3.969 1.00 0.00 C ATOM 45 CD1 PHE A 8 -9.167 -4.385 -3.752 1.00 0.00 C ATOM 46 CD2 PHE A 8 -7.706 -2.515 -3.977 1.00 0.00 C ATOM 47 CE1 PHE A 8 -10.233 -3.531 -3.547 1.00 0.00 C ATOM 48 CE2 PHE A 8 -8.768 -1.658 -3.771 1.00 0.00 C ATOM 49 CZ PHE A 8 -10.033 -2.165 -3.555 1.00 0.00 C ATOM 0 H PHE A 8 -7.692 -6.048 -1.705 1.00 0.00 H new ATOM 0 HA PHE A 8 -5.156 -5.856 -3.162 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -5.963 -4.292 -4.758 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -7.067 -5.652 -4.817 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -9.329 -5.453 -3.743 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -6.719 -2.111 -4.146 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -11.222 -3.931 -3.381 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -8.609 -0.590 -3.779 1.00 0.00 H new ATOM 0 HZ PHE A 8 -10.864 -1.495 -3.393 1.00 0.00 H new ATOM 59 N LEU A 9 -4.777 -3.503 -2.190 1.00 0.00 N ATOM 60 CA LEU A 9 -4.385 -2.388 -1.346 1.00 0.00 C ATOM 61 C LEU A 9 -4.912 -1.071 -1.923 1.00 0.00 C ATOM 62 O LEU A 9 -4.639 -0.725 -3.073 1.00 0.00 O ATOM 63 CB LEU A 9 -2.854 -2.356 -1.217 1.00 0.00 C ATOM 64 CG LEU A 9 -2.281 -1.512 -0.070 1.00 0.00 C ATOM 65 CD1 LEU A 9 -2.048 -0.083 -0.521 1.00 0.00 C ATOM 66 CD2 LEU A 9 -3.198 -1.544 1.144 1.00 0.00 C ATOM 0 H LEU A 9 -4.172 -3.646 -2.999 1.00 0.00 H new ATOM 0 HA LEU A 9 -4.819 -2.516 -0.354 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -2.500 -3.380 -1.097 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -2.440 -1.984 -2.154 1.00 0.00 H new ATOM 0 HG LEU A 9 -1.323 -1.945 0.218 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -1.642 0.498 0.307 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -1.342 -0.074 -1.351 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.993 0.355 -0.843 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -2.768 -0.938 1.941 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -4.175 -1.145 0.872 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -3.309 -2.572 1.489 1.00 0.00 H new ATOM 78 N SER A 10 -5.683 -0.350 -1.123 1.00 0.00 N ATOM 79 CA SER A 10 -6.243 0.924 -1.545 1.00 0.00 C ATOM 80 C SER A 10 -5.780 2.037 -0.608 1.00 0.00 C ATOM 81 O SER A 10 -6.123 2.050 0.570 1.00 0.00 O ATOM 82 CB SER A 10 -7.775 0.847 -1.562 1.00 0.00 C ATOM 83 OG SER A 10 -8.345 2.004 -2.152 1.00 0.00 O ATOM 0 H SER A 10 -5.936 -0.627 -0.174 1.00 0.00 H new ATOM 0 HA SER A 10 -5.893 1.147 -2.553 1.00 0.00 H new ATOM 0 HB2 SER A 10 -8.090 -0.038 -2.115 1.00 0.00 H new ATOM 0 HB3 SER A 10 -8.147 0.736 -0.543 1.00 0.00 H new ATOM 0 HG SER A 10 -8.859 2.495 -1.478 1.00 0.00 H new ATOM 89 N ARG A 11 -4.992 2.967 -1.126 1.00 0.00 N ATOM 90 CA ARG A 11 -4.496 4.068 -0.313 1.00 0.00 C ATOM 91 C ARG A 11 -5.406 5.278 -0.442 1.00 0.00 C ATOM 92 O ARG A 11 -5.734 5.705 -1.550 1.00 0.00 O ATOM 93 CB ARG A 11 -3.065 4.426 -0.704 1.00 0.00 C ATOM 94 CG ARG A 11 -2.090 3.292 -0.454 1.00 0.00 C ATOM 95 CD ARG A 11 -0.654 3.731 -0.644 1.00 0.00 C ATOM 96 NE ARG A 11 -0.048 4.188 0.606 1.00 0.00 N ATOM 97 CZ ARG A 11 0.947 5.066 0.661 1.00 0.00 C ATOM 98 NH1 ARG A 11 1.427 5.580 -0.462 1.00 0.00 N ATOM 99 NH2 ARG A 11 1.458 5.435 1.830 1.00 0.00 N ATOM 0 H ARG A 11 -4.684 2.982 -2.098 1.00 0.00 H new ATOM 0 HA ARG A 11 -4.494 3.750 0.730 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -3.038 4.697 -1.759 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -2.747 5.304 -0.141 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -2.223 2.915 0.560 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -2.310 2.467 -1.132 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -0.072 2.902 -1.046 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -0.615 4.534 -1.380 1.00 0.00 H new ATOM 0 HE ARG A 11 -0.409 3.812 1.483 1.00 0.00 H new ATOM 0 HH11 ARG A 11 1.032 5.301 -1.360 1.00 0.00 H new ATOM 0 HH12 ARG A 11 2.191 6.255 -0.428 1.00 0.00 H new ATOM 0 HH21 ARG A 11 1.086 5.043 2.695 1.00 0.00 H new ATOM 0 HH22 ARG A 11 2.222 6.110 1.862 1.00 0.00 H new ATOM 113 N HIS A 12 -5.820 5.808 0.698 1.00 0.00 N ATOM 114 CA HIS A 12 -6.713 6.956 0.739 1.00 0.00 C ATOM 115 C HIS A 12 -6.046 8.129 1.452 1.00 0.00 C ATOM 116 O HIS A 12 -5.206 7.926 2.324 1.00 0.00 O ATOM 117 CB HIS A 12 -8.022 6.578 1.441 1.00 0.00 C ATOM 118 CG HIS A 12 -8.787 5.487 0.749 1.00 0.00 C ATOM 119 ND1 HIS A 12 -9.883 5.722 -0.049 1.00 0.00 N ATOM 120 CD2 HIS A 12 -8.600 4.146 0.734 1.00 0.00 C ATOM 121 CE1 HIS A 12 -10.334 4.577 -0.524 1.00 0.00 C ATOM 122 NE2 HIS A 12 -9.572 3.602 -0.067 1.00 0.00 N ATOM 0 H HIS A 12 -5.549 5.457 1.616 1.00 0.00 H new ATOM 0 HA HIS A 12 -6.937 7.260 -0.283 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -7.799 6.262 2.460 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -8.654 7.463 1.512 1.00 0.00 H new ATOM 0 HD1 HIS A 12 -10.284 6.639 -0.243 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -7.827 3.603 1.257 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -11.185 4.458 -1.178 1.00 0.00 H new ATOM 131 N SER A 13 -6.407 9.349 1.078 1.00 0.00 N ATOM 132 CA SER A 13 -5.819 10.534 1.693 1.00 0.00 C ATOM 133 C SER A 13 -6.794 11.711 1.701 1.00 0.00 C ATOM 134 O SER A 13 -7.695 11.782 0.863 1.00 0.00 O ATOM 135 CB SER A 13 -4.547 10.920 0.937 1.00 0.00 C ATOM 136 OG SER A 13 -4.723 10.748 -0.462 1.00 0.00 O ATOM 0 H SER A 13 -7.100 9.545 0.356 1.00 0.00 H new ATOM 0 HA SER A 13 -5.581 10.295 2.729 1.00 0.00 H new ATOM 0 HB2 SER A 13 -4.291 11.958 1.152 1.00 0.00 H new ATOM 0 HB3 SER A 13 -3.713 10.308 1.282 1.00 0.00 H new ATOM 0 HG SER A 13 -4.442 11.562 -0.930 1.00 0.00 H new ATOM 142 N MET A 14 -6.598 12.617 2.665 1.00 0.00 N ATOM 143 CA MET A 14 -7.416 13.826 2.824 1.00 0.00 C ATOM 144 C MET A 14 -8.909 13.508 2.907 1.00 0.00 C ATOM 145 O MET A 14 -9.410 13.123 3.964 1.00 0.00 O ATOM 146 CB MET A 14 -7.144 14.820 1.690 1.00 0.00 C ATOM 147 CG MET A 14 -5.805 15.527 1.812 1.00 0.00 C ATOM 148 SD MET A 14 -5.510 16.690 0.467 1.00 0.00 S ATOM 149 CE MET A 14 -6.851 17.852 0.723 1.00 0.00 C ATOM 0 H MET A 14 -5.860 12.531 3.364 1.00 0.00 H new ATOM 0 HA MET A 14 -7.127 14.282 3.771 1.00 0.00 H new ATOM 0 HB2 MET A 14 -7.181 14.291 0.737 1.00 0.00 H new ATOM 0 HB3 MET A 14 -7.939 15.565 1.672 1.00 0.00 H new ATOM 0 HG2 MET A 14 -5.764 16.059 2.763 1.00 0.00 H new ATOM 0 HG3 MET A 14 -5.007 14.785 1.827 1.00 0.00 H new ATOM 0 HE1 MET A 14 -6.609 18.799 0.240 1.00 0.00 H new ATOM 0 HE2 MET A 14 -7.768 17.450 0.293 1.00 0.00 H new ATOM 0 HE3 MET A 14 -6.992 18.015 1.791 1.00 0.00 H new ATOM 159 N ASP A 15 -9.608 13.648 1.786 1.00 0.00 N ATOM 160 CA ASP A 15 -11.042 13.383 1.720 1.00 0.00 C ATOM 161 C ASP A 15 -11.290 11.908 1.429 1.00 0.00 C ATOM 162 O ASP A 15 -12.293 11.536 0.818 1.00 0.00 O ATOM 163 CB ASP A 15 -11.700 14.259 0.646 1.00 0.00 C ATOM 164 CG ASP A 15 -11.221 13.939 -0.757 1.00 0.00 C ATOM 165 OD1 ASP A 15 -9.994 13.959 -0.989 1.00 0.00 O ATOM 166 OD2 ASP A 15 -12.071 13.685 -1.640 1.00 0.00 O ATOM 0 H ASP A 15 -9.199 13.947 0.901 1.00 0.00 H new ATOM 0 HA ASP A 15 -11.487 13.629 2.684 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -12.781 14.130 0.693 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -11.494 15.307 0.864 1.00 0.00 H new ATOM 171 N MET A 16 -10.352 11.077 1.873 1.00 0.00 N ATOM 172 CA MET A 16 -10.421 9.633 1.695 1.00 0.00 C ATOM 173 C MET A 16 -10.383 9.265 0.215 1.00 0.00 C ATOM 174 O MET A 16 -10.862 8.203 -0.182 1.00 0.00 O ATOM 175 CB MET A 16 -11.683 9.067 2.361 1.00 0.00 C ATOM 176 CG MET A 16 -11.585 7.593 2.726 1.00 0.00 C ATOM 177 SD MET A 16 -10.294 7.256 3.937 1.00 0.00 S ATOM 178 CE MET A 16 -10.610 5.530 4.299 1.00 0.00 C ATOM 0 H MET A 16 -9.518 11.390 2.369 1.00 0.00 H new ATOM 0 HA MET A 16 -9.549 9.190 2.176 1.00 0.00 H new ATOM 0 HB2 MET A 16 -11.893 9.641 3.264 1.00 0.00 H new ATOM 0 HB3 MET A 16 -12.530 9.208 1.689 1.00 0.00 H new ATOM 0 HG2 MET A 16 -12.544 7.257 3.121 1.00 0.00 H new ATOM 0 HG3 MET A 16 -11.391 7.012 1.824 1.00 0.00 H new ATOM 0 HE1 MET A 16 -9.774 5.118 4.864 1.00 0.00 H new ATOM 0 HE2 MET A 16 -11.523 5.443 4.887 1.00 0.00 H new ATOM 0 HE3 MET A 16 -10.725 4.978 3.366 1.00 0.00 H new ATOM 188 N LYS A 17 -9.796 10.137 -0.600 1.00 0.00 N ATOM 189 CA LYS A 17 -9.697 9.881 -2.030 1.00 0.00 C ATOM 190 C LYS A 17 -8.628 8.828 -2.297 1.00 0.00 C ATOM 191 O LYS A 17 -8.046 8.286 -1.365 1.00 0.00 O ATOM 192 CB LYS A 17 -9.395 11.163 -2.811 1.00 0.00 C ATOM 193 CG LYS A 17 -8.079 11.826 -2.443 1.00 0.00 C ATOM 194 CD LYS A 17 -7.520 12.636 -3.604 1.00 0.00 C ATOM 195 CE LYS A 17 -8.560 13.582 -4.188 1.00 0.00 C ATOM 196 NZ LYS A 17 -8.925 14.669 -3.245 1.00 0.00 N ATOM 0 H LYS A 17 -9.385 11.020 -0.296 1.00 0.00 H new ATOM 0 HA LYS A 17 -10.661 9.507 -2.375 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -9.386 10.932 -3.876 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -10.205 11.874 -2.646 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -8.227 12.477 -1.581 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -7.357 11.065 -2.148 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -6.657 13.209 -3.265 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -7.167 11.959 -4.382 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -8.175 14.018 -5.110 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -9.454 13.017 -4.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -9.473 15.396 -3.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -9.498 14.278 -2.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -8.060 15.095 -2.855 1.00 0.00 H new ATOM 210 N PHE A 18 -8.363 8.547 -3.559 1.00 0.00 N ATOM 211 CA PHE A 18 -7.381 7.533 -3.911 1.00 0.00 C ATOM 212 C PHE A 18 -6.016 8.136 -4.225 1.00 0.00 C ATOM 213 O PHE A 18 -5.881 8.975 -5.121 1.00 0.00 O ATOM 214 CB PHE A 18 -7.870 6.719 -5.109 1.00 0.00 C ATOM 215 CG PHE A 18 -9.193 6.041 -4.887 1.00 0.00 C ATOM 216 CD1 PHE A 18 -10.380 6.701 -5.164 1.00 0.00 C ATOM 217 CD2 PHE A 18 -9.249 4.742 -4.408 1.00 0.00 C ATOM 218 CE1 PHE A 18 -11.596 6.079 -4.965 1.00 0.00 C ATOM 219 CE2 PHE A 18 -10.464 4.115 -4.207 1.00 0.00 C ATOM 220 CZ PHE A 18 -11.639 4.784 -4.486 1.00 0.00 C ATOM 0 H PHE A 18 -8.810 9.002 -4.355 1.00 0.00 H new ATOM 0 HA PHE A 18 -7.265 6.883 -3.044 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -7.951 7.377 -5.974 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -7.122 5.964 -5.352 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -10.353 7.713 -5.540 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -8.333 4.214 -4.189 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -12.514 6.605 -5.184 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -10.494 3.103 -3.832 1.00 0.00 H new ATOM 0 HZ PHE A 18 -12.590 4.296 -4.330 1.00 0.00 H new ATOM 230 N THR A 19 -5.016 7.721 -3.459 1.00 0.00 N ATOM 231 CA THR A 19 -3.644 8.165 -3.669 1.00 0.00 C ATOM 232 C THR A 19 -2.877 7.088 -4.427 1.00 0.00 C ATOM 233 O THR A 19 -1.915 7.360 -5.150 1.00 0.00 O ATOM 234 CB THR A 19 -2.935 8.450 -2.335 1.00 0.00 C ATOM 235 OG1 THR A 19 -3.863 8.320 -1.248 1.00 0.00 O ATOM 236 CG2 THR A 19 -2.330 9.844 -2.337 1.00 0.00 C ATOM 0 H THR A 19 -5.131 7.072 -2.680 1.00 0.00 H new ATOM 0 HA THR A 19 -3.670 9.090 -4.245 1.00 0.00 H new ATOM 0 HB THR A 19 -2.132 7.724 -2.209 1.00 0.00 H new ATOM 0 HG1 THR A 19 -4.168 9.209 -0.970 1.00 0.00 H new ATOM 0 HG21 THR A 19 -1.833 10.026 -1.384 1.00 0.00 H new ATOM 0 HG22 THR A 19 -1.604 9.924 -3.146 1.00 0.00 H new ATOM 0 HG23 THR A 19 -3.118 10.583 -2.482 1.00 0.00 H new ATOM 244 N TYR A 20 -3.331 5.856 -4.245 1.00 0.00 N ATOM 245 CA TYR A 20 -2.750 4.698 -4.896 1.00 0.00 C ATOM 246 C TYR A 20 -3.764 3.565 -4.893 1.00 0.00 C ATOM 247 O TYR A 20 -4.211 3.122 -3.833 1.00 0.00 O ATOM 248 CB TYR A 20 -1.456 4.248 -4.200 1.00 0.00 C ATOM 249 CG TYR A 20 -1.003 2.853 -4.597 1.00 0.00 C ATOM 250 CD1 TYR A 20 -0.335 2.627 -5.796 1.00 0.00 C ATOM 251 CD2 TYR A 20 -1.254 1.761 -3.775 1.00 0.00 C ATOM 252 CE1 TYR A 20 0.069 1.355 -6.161 1.00 0.00 C ATOM 253 CE2 TYR A 20 -0.855 0.487 -4.134 1.00 0.00 C ATOM 254 CZ TYR A 20 -0.195 0.289 -5.327 1.00 0.00 C ATOM 255 OH TYR A 20 0.203 -0.980 -5.685 1.00 0.00 O ATOM 0 H TYR A 20 -4.119 5.634 -3.636 1.00 0.00 H new ATOM 0 HA TYR A 20 -2.494 4.969 -5.920 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -0.663 4.958 -4.433 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -1.605 4.279 -3.121 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -0.128 3.459 -6.453 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -1.770 1.910 -2.838 1.00 0.00 H new ATOM 0 HE1 TYR A 20 0.589 1.198 -7.095 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -1.060 -0.349 -3.482 1.00 0.00 H new ATOM 0 HH TYR A 20 -0.571 -1.581 -5.675 1.00 0.00 H new ATOM 265 N CYS A 21 -4.148 3.129 -6.075 1.00 0.00 N ATOM 266 CA CYS A 21 -5.095 2.041 -6.210 1.00 0.00 C ATOM 267 C CYS A 21 -4.399 0.845 -6.833 1.00 0.00 C ATOM 268 O CYS A 21 -3.711 0.982 -7.846 1.00 0.00 O ATOM 269 CB CYS A 21 -6.281 2.469 -7.076 1.00 0.00 C ATOM 270 SG CYS A 21 -6.556 4.253 -7.114 1.00 0.00 S ATOM 0 H CYS A 21 -3.817 3.513 -6.960 1.00 0.00 H new ATOM 0 HA CYS A 21 -5.471 1.770 -5.224 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -6.121 2.115 -8.094 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -7.183 1.980 -6.707 1.00 0.00 H new ATOM 0 HG CYS A 21 -6.492 4.676 -8.342 1.00 0.00 H new ATOM 276 N ASP A 22 -4.556 -0.314 -6.215 1.00 0.00 N ATOM 277 CA ASP A 22 -3.937 -1.530 -6.718 1.00 0.00 C ATOM 278 C ASP A 22 -4.498 -1.901 -8.084 1.00 0.00 C ATOM 279 O ASP A 22 -5.674 -1.677 -8.370 1.00 0.00 O ATOM 280 CB ASP A 22 -4.144 -2.679 -5.738 1.00 0.00 C ATOM 281 CG ASP A 22 -2.833 -3.204 -5.191 1.00 0.00 C ATOM 282 OD1 ASP A 22 -1.769 -2.828 -5.732 1.00 0.00 O ATOM 283 OD2 ASP A 22 -2.865 -3.995 -4.226 1.00 0.00 O ATOM 0 H ASP A 22 -5.106 -0.439 -5.365 1.00 0.00 H new ATOM 0 HA ASP A 22 -2.868 -1.345 -6.823 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -4.772 -2.343 -4.913 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -4.679 -3.488 -6.236 1.00 0.00 H new ATOM 288 N ASP A 23 -3.654 -2.492 -8.915 1.00 0.00 N ATOM 289 CA ASP A 23 -4.039 -2.891 -10.269 1.00 0.00 C ATOM 290 C ASP A 23 -5.058 -4.031 -10.259 1.00 0.00 C ATOM 291 O ASP A 23 -5.639 -4.364 -11.291 1.00 0.00 O ATOM 292 CB ASP A 23 -2.797 -3.328 -11.051 1.00 0.00 C ATOM 293 CG ASP A 23 -2.351 -4.733 -10.693 1.00 0.00 C ATOM 294 OD1 ASP A 23 -2.060 -4.984 -9.503 1.00 0.00 O ATOM 295 OD2 ASP A 23 -2.289 -5.594 -11.600 1.00 0.00 O ATOM 0 H ASP A 23 -2.687 -2.710 -8.676 1.00 0.00 H new ATOM 0 HA ASP A 23 -4.503 -2.029 -10.748 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -3.008 -3.278 -12.119 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -1.983 -2.630 -10.854 1.00 0.00 H new ATOM 300 N ARG A 24 -5.281 -4.611 -9.092 1.00 0.00 N ATOM 301 CA ARG A 24 -6.208 -5.728 -8.949 1.00 0.00 C ATOM 302 C ARG A 24 -7.609 -5.264 -8.546 1.00 0.00 C ATOM 303 O ARG A 24 -8.465 -6.079 -8.214 1.00 0.00 O ATOM 304 CB ARG A 24 -5.666 -6.725 -7.917 1.00 0.00 C ATOM 305 CG ARG A 24 -4.758 -6.088 -6.878 1.00 0.00 C ATOM 306 CD ARG A 24 -4.300 -7.088 -5.831 1.00 0.00 C ATOM 307 NE ARG A 24 -3.585 -8.219 -6.415 1.00 0.00 N ATOM 308 CZ ARG A 24 -3.412 -9.384 -5.793 1.00 0.00 C ATOM 309 NH1 ARG A 24 -3.873 -9.561 -4.560 1.00 0.00 N ATOM 310 NH2 ARG A 24 -2.779 -10.375 -6.401 1.00 0.00 N ATOM 0 H ARG A 24 -4.831 -4.326 -8.222 1.00 0.00 H new ATOM 0 HA ARG A 24 -6.293 -6.214 -9.921 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -6.504 -7.204 -7.411 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -5.116 -7.510 -8.436 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -3.888 -5.657 -7.373 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -5.285 -5.268 -6.390 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -3.653 -6.586 -5.111 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -5.166 -7.455 -5.280 1.00 0.00 H new ATOM 0 HE ARG A 24 -3.196 -8.111 -7.352 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -4.362 -8.803 -4.085 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -3.738 -10.455 -4.088 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -2.422 -10.247 -7.348 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -2.648 -11.266 -5.922 1.00 0.00 H new ATOM 324 N ILE A 25 -7.851 -3.958 -8.586 1.00 0.00 N ATOM 325 CA ILE A 25 -9.159 -3.421 -8.214 1.00 0.00 C ATOM 326 C ILE A 25 -10.142 -3.484 -9.387 1.00 0.00 C ATOM 327 O ILE A 25 -11.362 -3.528 -9.193 1.00 0.00 O ATOM 328 CB ILE A 25 -9.058 -1.962 -7.703 1.00 0.00 C ATOM 329 CG1 ILE A 25 -10.390 -1.513 -7.097 1.00 0.00 C ATOM 330 CG2 ILE A 25 -8.642 -1.021 -8.826 1.00 0.00 C ATOM 331 CD1 ILE A 25 -10.353 -0.118 -6.513 1.00 0.00 C ATOM 0 H ILE A 25 -7.167 -3.256 -8.869 1.00 0.00 H new ATOM 0 HA ILE A 25 -9.532 -4.047 -7.404 1.00 0.00 H new ATOM 0 HB ILE A 25 -8.293 -1.927 -6.927 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -11.161 -1.555 -7.866 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -10.679 -2.217 -6.316 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -8.578 -0.003 -8.442 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -7.670 -1.325 -9.214 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -9.380 -1.061 -9.627 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -11.332 0.131 -6.102 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -9.606 -0.075 -5.721 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -10.095 0.597 -7.294 1.00 0.00 H new ATOM 343 N THR A 26 -9.606 -3.521 -10.601 1.00 0.00 N ATOM 344 CA THR A 26 -10.419 -3.559 -11.810 1.00 0.00 C ATOM 345 C THR A 26 -11.264 -4.830 -11.908 1.00 0.00 C ATOM 346 O THR A 26 -12.344 -4.819 -12.491 1.00 0.00 O ATOM 347 CB THR A 26 -9.528 -3.448 -13.058 1.00 0.00 C ATOM 348 OG1 THR A 26 -8.145 -3.507 -12.671 1.00 0.00 O ATOM 349 CG2 THR A 26 -9.801 -2.150 -13.800 1.00 0.00 C ATOM 0 H THR A 26 -8.601 -3.525 -10.775 1.00 0.00 H new ATOM 0 HA THR A 26 -11.098 -2.708 -11.756 1.00 0.00 H new ATOM 0 HB THR A 26 -9.756 -4.280 -13.724 1.00 0.00 H new ATOM 0 HG1 THR A 26 -7.579 -3.438 -13.468 1.00 0.00 H new ATOM 0 HG21 THR A 26 -9.160 -2.092 -14.680 1.00 0.00 H new ATOM 0 HG22 THR A 26 -10.846 -2.121 -14.110 1.00 0.00 H new ATOM 0 HG23 THR A 26 -9.594 -1.305 -13.143 1.00 0.00 H new ATOM 357 N GLU A 27 -10.782 -5.917 -11.325 1.00 0.00 N ATOM 358 CA GLU A 27 -11.502 -7.183 -11.375 1.00 0.00 C ATOM 359 C GLU A 27 -12.361 -7.383 -10.131 1.00 0.00 C ATOM 360 O GLU A 27 -13.041 -8.400 -9.989 1.00 0.00 O ATOM 361 CB GLU A 27 -10.514 -8.338 -11.513 1.00 0.00 C ATOM 362 CG GLU A 27 -9.565 -8.463 -10.335 1.00 0.00 C ATOM 363 CD GLU A 27 -8.205 -8.982 -10.742 1.00 0.00 C ATOM 364 OE1 GLU A 27 -8.108 -10.158 -11.138 1.00 0.00 O ATOM 365 OE2 GLU A 27 -7.226 -8.212 -10.672 1.00 0.00 O ATOM 0 H GLU A 27 -9.900 -5.950 -10.814 1.00 0.00 H new ATOM 0 HA GLU A 27 -12.162 -7.161 -12.242 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -11.069 -9.270 -11.624 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -9.933 -8.203 -12.425 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -9.451 -7.489 -9.859 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -9.999 -9.132 -9.592 1.00 0.00 H new ATOM 372 N LEU A 28 -12.331 -6.413 -9.231 1.00 0.00 N ATOM 373 CA LEU A 28 -13.103 -6.509 -8.001 1.00 0.00 C ATOM 374 C LEU A 28 -14.235 -5.491 -7.979 1.00 0.00 C ATOM 375 O LEU A 28 -15.403 -5.854 -7.852 1.00 0.00 O ATOM 376 CB LEU A 28 -12.188 -6.329 -6.788 1.00 0.00 C ATOM 377 CG LEU A 28 -11.164 -7.449 -6.595 1.00 0.00 C ATOM 378 CD1 LEU A 28 -10.259 -7.156 -5.411 1.00 0.00 C ATOM 379 CD2 LEU A 28 -11.869 -8.784 -6.412 1.00 0.00 C ATOM 0 H LEU A 28 -11.785 -5.557 -9.327 1.00 0.00 H new ATOM 0 HA LEU A 28 -13.551 -7.502 -7.957 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -11.658 -5.382 -6.886 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -12.804 -6.258 -5.891 1.00 0.00 H new ATOM 0 HG LEU A 28 -10.543 -7.504 -7.489 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -9.539 -7.966 -5.294 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -9.727 -6.220 -5.582 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -10.860 -7.071 -4.506 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -11.128 -9.571 -6.276 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -12.514 -8.737 -5.535 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -12.471 -9.001 -7.294 1.00 0.00 H new ATOM 391 N ILE A 29 -13.891 -4.220 -8.111 1.00 0.00 N ATOM 392 CA ILE A 29 -14.892 -3.163 -8.101 1.00 0.00 C ATOM 393 C ILE A 29 -15.259 -2.759 -9.529 1.00 0.00 C ATOM 394 O ILE A 29 -16.373 -2.306 -9.798 1.00 0.00 O ATOM 395 CB ILE A 29 -14.403 -1.931 -7.304 1.00 0.00 C ATOM 396 CG1 ILE A 29 -13.921 -2.358 -5.912 1.00 0.00 C ATOM 397 CG2 ILE A 29 -15.509 -0.891 -7.185 1.00 0.00 C ATOM 398 CD1 ILE A 29 -13.495 -1.203 -5.029 1.00 0.00 C ATOM 0 H ILE A 29 -12.931 -3.895 -8.226 1.00 0.00 H new ATOM 0 HA ILE A 29 -15.781 -3.553 -7.605 1.00 0.00 H new ATOM 0 HB ILE A 29 -13.569 -1.482 -7.843 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -14.720 -2.908 -5.414 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -13.083 -3.046 -6.024 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -15.143 -0.033 -6.621 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -15.813 -0.567 -8.181 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -16.364 -1.327 -6.668 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -13.168 -1.586 -4.062 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -12.674 -0.666 -5.504 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -14.337 -0.526 -4.885 1.00 0.00 H new ATOM 410 N GLY A 30 -14.321 -2.941 -10.445 1.00 0.00 N ATOM 411 CA GLY A 30 -14.568 -2.595 -11.832 1.00 0.00 C ATOM 412 C GLY A 30 -13.947 -1.268 -12.208 1.00 0.00 C ATOM 413 O GLY A 30 -13.800 -0.948 -13.389 1.00 0.00 O ATOM 0 H GLY A 30 -13.394 -3.321 -10.255 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -14.168 -3.377 -12.477 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -15.643 -2.555 -12.009 1.00 0.00 H new ATOM 417 N TYR A 31 -13.588 -0.496 -11.197 1.00 0.00 N ATOM 418 CA TYR A 31 -12.970 0.802 -11.406 1.00 0.00 C ATOM 419 C TYR A 31 -11.496 0.632 -11.743 1.00 0.00 C ATOM 420 O TYR A 31 -10.814 -0.211 -11.162 1.00 0.00 O ATOM 421 CB TYR A 31 -13.117 1.673 -10.157 1.00 0.00 C ATOM 422 CG TYR A 31 -14.423 2.428 -10.083 1.00 0.00 C ATOM 423 CD1 TYR A 31 -14.619 3.578 -10.832 1.00 0.00 C ATOM 424 CD2 TYR A 31 -15.457 1.994 -9.264 1.00 0.00 C ATOM 425 CE1 TYR A 31 -15.808 4.278 -10.769 1.00 0.00 C ATOM 426 CE2 TYR A 31 -16.651 2.686 -9.195 1.00 0.00 C ATOM 427 CZ TYR A 31 -16.822 3.827 -9.949 1.00 0.00 C ATOM 428 OH TYR A 31 -18.009 4.518 -9.886 1.00 0.00 O ATOM 0 H TYR A 31 -13.715 -0.748 -10.217 1.00 0.00 H new ATOM 0 HA TYR A 31 -13.474 1.293 -12.238 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -13.024 1.041 -9.274 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -12.294 2.387 -10.126 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -13.828 3.933 -11.476 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -15.326 1.101 -8.671 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -15.943 5.173 -11.358 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -17.446 2.335 -8.554 1.00 0.00 H new ATOM 0 HH TYR A 31 -18.617 4.068 -9.263 1.00 0.00 H new ATOM 438 N HIS A 32 -11.010 1.424 -12.682 1.00 0.00 N ATOM 439 CA HIS A 32 -9.614 1.355 -13.083 1.00 0.00 C ATOM 440 C HIS A 32 -8.762 2.131 -12.083 1.00 0.00 C ATOM 441 O HIS A 32 -9.096 3.259 -11.733 1.00 0.00 O ATOM 442 CB HIS A 32 -9.440 1.917 -14.499 1.00 0.00 C ATOM 443 CG HIS A 32 -8.304 1.296 -15.261 1.00 0.00 C ATOM 444 ND1 HIS A 32 -8.478 0.310 -16.205 1.00 0.00 N ATOM 445 CD2 HIS A 32 -6.971 1.530 -15.211 1.00 0.00 C ATOM 446 CE1 HIS A 32 -7.304 -0.033 -16.701 1.00 0.00 C ATOM 447 NE2 HIS A 32 -6.370 0.692 -16.114 1.00 0.00 N ATOM 0 H HIS A 32 -11.560 2.123 -13.182 1.00 0.00 H new ATOM 0 HA HIS A 32 -9.289 0.315 -13.092 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -10.365 1.766 -15.056 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -9.278 2.993 -14.436 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -6.472 2.247 -14.575 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -7.136 -0.782 -17.461 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -5.369 0.638 -16.301 1.00 0.00 H new ATOM 456 N PRO A 33 -7.658 1.530 -11.603 1.00 0.00 N ATOM 457 CA PRO A 33 -6.760 2.152 -10.620 1.00 0.00 C ATOM 458 C PRO A 33 -6.373 3.592 -10.964 1.00 0.00 C ATOM 459 O PRO A 33 -6.492 4.489 -10.129 1.00 0.00 O ATOM 460 CB PRO A 33 -5.515 1.249 -10.632 1.00 0.00 C ATOM 461 CG PRO A 33 -5.717 0.283 -11.755 1.00 0.00 C ATOM 462 CD PRO A 33 -7.199 0.186 -11.961 1.00 0.00 C ATOM 0 HA PRO A 33 -7.247 2.227 -9.648 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -4.609 1.836 -10.781 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -5.404 0.726 -9.682 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -5.220 0.630 -12.661 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -5.293 -0.691 -11.512 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -7.450 -0.067 -12.991 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -7.648 -0.578 -11.327 1.00 0.00 H new ATOM 470 N GLU A 34 -5.924 3.809 -12.192 1.00 0.00 N ATOM 471 CA GLU A 34 -5.509 5.138 -12.639 1.00 0.00 C ATOM 472 C GLU A 34 -6.694 6.103 -12.711 1.00 0.00 C ATOM 473 O GLU A 34 -6.542 7.308 -12.508 1.00 0.00 O ATOM 474 CB GLU A 34 -4.840 5.040 -14.011 1.00 0.00 C ATOM 475 CG GLU A 34 -3.938 3.824 -14.171 1.00 0.00 C ATOM 476 CD GLU A 34 -2.675 3.908 -13.337 1.00 0.00 C ATOM 477 OE1 GLU A 34 -2.018 4.972 -13.345 1.00 0.00 O ATOM 478 OE2 GLU A 34 -2.319 2.904 -12.684 1.00 0.00 O ATOM 0 H GLU A 34 -5.836 3.081 -12.901 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.800 5.529 -11.910 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -5.612 5.011 -14.780 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.252 5.942 -14.183 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.492 2.928 -13.891 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.667 3.716 -15.221 1.00 0.00 H new ATOM 485 N GLU A 35 -7.875 5.560 -12.972 1.00 0.00 N ATOM 486 CA GLU A 35 -9.094 6.354 -13.088 1.00 0.00 C ATOM 487 C GLU A 35 -9.610 6.798 -11.721 1.00 0.00 C ATOM 488 O GLU A 35 -10.529 7.610 -11.624 1.00 0.00 O ATOM 489 CB GLU A 35 -10.168 5.538 -13.808 1.00 0.00 C ATOM 490 CG GLU A 35 -10.698 6.199 -15.064 1.00 0.00 C ATOM 491 CD GLU A 35 -11.929 7.038 -14.807 1.00 0.00 C ATOM 492 OE1 GLU A 35 -11.808 8.113 -14.182 1.00 0.00 O ATOM 493 OE2 GLU A 35 -13.028 6.629 -15.237 1.00 0.00 O ATOM 0 H GLU A 35 -8.017 4.559 -13.109 1.00 0.00 H new ATOM 0 HA GLU A 35 -8.860 7.251 -13.662 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -9.757 4.562 -14.068 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -10.998 5.362 -13.123 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -9.919 6.827 -15.495 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -10.934 5.432 -15.802 1.00 0.00 H new ATOM 500 N LEU A 36 -9.027 6.258 -10.667 1.00 0.00 N ATOM 501 CA LEU A 36 -9.438 6.608 -9.317 1.00 0.00 C ATOM 502 C LEU A 36 -8.463 7.597 -8.695 1.00 0.00 C ATOM 503 O LEU A 36 -8.783 8.268 -7.715 1.00 0.00 O ATOM 504 CB LEU A 36 -9.524 5.350 -8.455 1.00 0.00 C ATOM 505 CG LEU A 36 -10.561 4.325 -8.907 1.00 0.00 C ATOM 506 CD1 LEU A 36 -10.369 3.016 -8.162 1.00 0.00 C ATOM 507 CD2 LEU A 36 -11.965 4.862 -8.690 1.00 0.00 C ATOM 0 H LEU A 36 -8.269 5.577 -10.717 1.00 0.00 H new ATOM 0 HA LEU A 36 -10.420 7.078 -9.368 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -8.545 4.871 -8.440 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -9.750 5.645 -7.430 1.00 0.00 H new ATOM 0 HG LEU A 36 -10.425 4.138 -9.972 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -11.116 2.295 -8.495 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -9.372 2.625 -8.364 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -10.482 3.187 -7.091 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -12.693 4.120 -9.017 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -12.114 5.074 -7.631 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -12.097 5.778 -9.266 1.00 0.00 H new ATOM 519 N LEU A 37 -7.282 7.696 -9.286 1.00 0.00 N ATOM 520 CA LEU A 37 -6.247 8.588 -8.786 1.00 0.00 C ATOM 521 C LEU A 37 -6.611 10.047 -9.031 1.00 0.00 C ATOM 522 O LEU A 37 -6.500 10.548 -10.152 1.00 0.00 O ATOM 523 CB LEU A 37 -4.905 8.264 -9.448 1.00 0.00 C ATOM 524 CG LEU A 37 -4.396 6.840 -9.218 1.00 0.00 C ATOM 525 CD1 LEU A 37 -3.212 6.544 -10.120 1.00 0.00 C ATOM 526 CD2 LEU A 37 -4.016 6.638 -7.759 1.00 0.00 C ATOM 0 H LEU A 37 -7.016 7.167 -10.116 1.00 0.00 H new ATOM 0 HA LEU A 37 -6.162 8.435 -7.710 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -4.997 8.432 -10.521 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -4.156 8.965 -9.079 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.199 6.145 -9.465 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -2.864 5.527 -9.942 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.514 6.647 -11.162 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.406 7.246 -9.905 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.656 5.619 -7.614 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.230 7.343 -7.487 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.889 6.807 -7.129 1.00 0.00 H new ATOM 538 N GLY A 38 -7.072 10.717 -7.984 1.00 0.00 N ATOM 539 CA GLY A 38 -7.426 12.116 -8.104 1.00 0.00 C ATOM 540 C GLY A 38 -8.889 12.392 -7.818 1.00 0.00 C ATOM 541 O GLY A 38 -9.234 13.464 -7.321 1.00 0.00 O ATOM 0 H GLY A 38 -7.207 10.317 -7.055 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -6.813 12.699 -7.417 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -7.189 12.458 -9.111 1.00 0.00 H new ATOM 545 N ARG A 39 -9.751 11.434 -8.126 1.00 0.00 N ATOM 546 CA ARG A 39 -11.181 11.608 -7.903 1.00 0.00 C ATOM 547 C ARG A 39 -11.546 11.363 -6.442 1.00 0.00 C ATOM 548 O ARG A 39 -10.860 10.622 -5.732 1.00 0.00 O ATOM 549 CB ARG A 39 -11.996 10.681 -8.815 1.00 0.00 C ATOM 550 CG ARG A 39 -11.899 9.205 -8.457 1.00 0.00 C ATOM 551 CD ARG A 39 -13.096 8.424 -8.981 1.00 0.00 C ATOM 552 NE ARG A 39 -13.055 8.240 -10.434 1.00 0.00 N ATOM 553 CZ ARG A 39 -14.130 7.979 -11.182 1.00 0.00 C ATOM 554 NH1 ARG A 39 -15.334 7.922 -10.626 1.00 0.00 N ATOM 555 NH2 ARG A 39 -14.010 7.793 -12.492 1.00 0.00 N ATOM 0 H ARG A 39 -9.489 10.534 -8.528 1.00 0.00 H new ATOM 0 HA ARG A 39 -11.427 12.641 -8.149 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -13.043 10.983 -8.779 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -11.661 10.816 -9.843 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -10.981 8.788 -8.872 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -11.837 9.095 -7.374 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -13.130 7.449 -8.496 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -14.013 8.947 -8.710 1.00 0.00 H new ATOM 0 HE ARG A 39 -12.152 8.316 -10.902 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -15.441 8.078 -9.624 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -16.152 7.722 -11.201 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -13.092 7.849 -12.933 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -14.836 7.594 -13.057 1.00 0.00 H new ATOM 569 N SER A 40 -12.617 12.004 -6.000 1.00 0.00 N ATOM 570 CA SER A 40 -13.090 11.861 -4.633 1.00 0.00 C ATOM 571 C SER A 40 -13.767 10.507 -4.451 1.00 0.00 C ATOM 572 O SER A 40 -14.625 10.121 -5.245 1.00 0.00 O ATOM 573 CB SER A 40 -14.067 12.991 -4.305 1.00 0.00 C ATOM 574 OG SER A 40 -14.083 13.962 -5.342 1.00 0.00 O ATOM 0 H SER A 40 -13.178 12.633 -6.574 1.00 0.00 H new ATOM 0 HA SER A 40 -12.240 11.918 -3.953 1.00 0.00 H new ATOM 0 HB2 SER A 40 -15.068 12.583 -4.167 1.00 0.00 H new ATOM 0 HB3 SER A 40 -13.782 13.462 -3.364 1.00 0.00 H new ATOM 0 HG SER A 40 -14.744 13.707 -6.019 1.00 0.00 H new ATOM 580 N ALA A 41 -13.382 9.784 -3.409 1.00 0.00 N ATOM 581 CA ALA A 41 -13.953 8.469 -3.145 1.00 0.00 C ATOM 582 C ALA A 41 -15.379 8.578 -2.624 1.00 0.00 C ATOM 583 O ALA A 41 -16.187 7.674 -2.823 1.00 0.00 O ATOM 584 CB ALA A 41 -13.093 7.703 -2.156 1.00 0.00 C ATOM 0 H ALA A 41 -12.679 10.084 -2.734 1.00 0.00 H new ATOM 0 HA ALA A 41 -13.978 7.924 -4.089 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -13.535 6.724 -1.971 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -12.091 7.577 -2.566 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -13.034 8.257 -1.219 1.00 0.00 H new ATOM 590 N TYR A 42 -15.684 9.695 -1.967 1.00 0.00 N ATOM 591 CA TYR A 42 -17.015 9.926 -1.405 1.00 0.00 C ATOM 592 C TYR A 42 -18.091 9.953 -2.489 1.00 0.00 C ATOM 593 O TYR A 42 -19.270 9.772 -2.197 1.00 0.00 O ATOM 594 CB TYR A 42 -17.048 11.241 -0.624 1.00 0.00 C ATOM 595 CG TYR A 42 -16.356 11.186 0.722 1.00 0.00 C ATOM 596 CD1 TYR A 42 -16.608 10.155 1.621 1.00 0.00 C ATOM 597 CD2 TYR A 42 -15.457 12.175 1.100 1.00 0.00 C ATOM 598 CE1 TYR A 42 -15.984 10.113 2.855 1.00 0.00 C ATOM 599 CE2 TYR A 42 -14.833 12.140 2.333 1.00 0.00 C ATOM 600 CZ TYR A 42 -15.099 11.108 3.205 1.00 0.00 C ATOM 601 OH TYR A 42 -14.480 11.077 4.436 1.00 0.00 O ATOM 0 H TYR A 42 -15.025 10.458 -1.810 1.00 0.00 H new ATOM 0 HA TYR A 42 -17.227 9.095 -0.732 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -16.581 12.020 -1.227 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -18.087 11.534 -0.473 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -17.303 9.374 1.351 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -15.242 12.985 0.419 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -16.190 9.304 3.540 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -14.139 12.919 2.611 1.00 0.00 H new ATOM 0 HH TYR A 42 -15.067 10.638 5.086 1.00 0.00 H new ATOM 611 N GLU A 43 -17.677 10.167 -3.734 1.00 0.00 N ATOM 612 CA GLU A 43 -18.606 10.216 -4.859 1.00 0.00 C ATOM 613 C GLU A 43 -19.380 8.904 -4.998 1.00 0.00 C ATOM 614 O GLU A 43 -20.540 8.897 -5.410 1.00 0.00 O ATOM 615 CB GLU A 43 -17.843 10.511 -6.148 1.00 0.00 C ATOM 616 CG GLU A 43 -17.305 11.929 -6.225 1.00 0.00 C ATOM 617 CD GLU A 43 -16.391 12.145 -7.414 1.00 0.00 C ATOM 618 OE1 GLU A 43 -16.571 11.461 -8.446 1.00 0.00 O ATOM 619 OE2 GLU A 43 -15.498 13.015 -7.328 1.00 0.00 O ATOM 0 H GLU A 43 -16.700 10.310 -3.990 1.00 0.00 H new ATOM 0 HA GLU A 43 -19.325 11.013 -4.671 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -17.012 9.811 -6.237 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -18.501 10.334 -6.999 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -18.140 12.627 -6.283 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -16.761 12.157 -5.308 1.00 0.00 H new ATOM 626 N PHE A 44 -18.733 7.803 -4.645 1.00 0.00 N ATOM 627 CA PHE A 44 -19.351 6.486 -4.721 1.00 0.00 C ATOM 628 C PHE A 44 -18.998 5.683 -3.476 1.00 0.00 C ATOM 629 O PHE A 44 -18.908 4.452 -3.504 1.00 0.00 O ATOM 630 CB PHE A 44 -18.900 5.751 -5.992 1.00 0.00 C ATOM 631 CG PHE A 44 -17.406 5.625 -6.146 1.00 0.00 C ATOM 632 CD1 PHE A 44 -16.655 6.676 -6.651 1.00 0.00 C ATOM 633 CD2 PHE A 44 -16.754 4.453 -5.791 1.00 0.00 C ATOM 634 CE1 PHE A 44 -15.287 6.560 -6.797 1.00 0.00 C ATOM 635 CE2 PHE A 44 -15.386 4.333 -5.936 1.00 0.00 C ATOM 636 CZ PHE A 44 -14.653 5.387 -6.439 1.00 0.00 C ATOM 0 H PHE A 44 -17.773 7.796 -4.301 1.00 0.00 H new ATOM 0 HA PHE A 44 -20.434 6.602 -4.769 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -19.338 4.753 -5.994 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -19.299 6.275 -6.860 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -17.146 7.596 -6.933 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -17.323 3.624 -5.396 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -14.713 7.386 -7.191 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -14.891 3.415 -5.656 1.00 0.00 H new ATOM 0 HZ PHE A 44 -13.583 5.295 -6.553 1.00 0.00 H new ATOM 646 N TYR A 45 -18.827 6.391 -2.369 1.00 0.00 N ATOM 647 CA TYR A 45 -18.462 5.763 -1.110 1.00 0.00 C ATOM 648 C TYR A 45 -19.677 5.173 -0.406 1.00 0.00 C ATOM 649 O TYR A 45 -19.944 5.484 0.756 1.00 0.00 O ATOM 650 CB TYR A 45 -17.754 6.763 -0.195 1.00 0.00 C ATOM 651 CG TYR A 45 -16.461 6.232 0.381 1.00 0.00 C ATOM 652 CD1 TYR A 45 -15.664 5.352 -0.343 1.00 0.00 C ATOM 653 CD2 TYR A 45 -16.037 6.606 1.649 1.00 0.00 C ATOM 654 CE1 TYR A 45 -14.484 4.863 0.180 1.00 0.00 C ATOM 655 CE2 TYR A 45 -14.857 6.120 2.177 1.00 0.00 C ATOM 656 CZ TYR A 45 -14.087 5.249 1.438 1.00 0.00 C ATOM 657 OH TYR A 45 -12.916 4.760 1.963 1.00 0.00 O ATOM 0 H TYR A 45 -18.936 7.404 -2.319 1.00 0.00 H new ATOM 0 HA TYR A 45 -17.777 4.946 -1.337 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -17.547 7.675 -0.755 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -18.423 7.035 0.621 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -15.974 5.046 -1.331 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -16.639 7.288 2.231 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -13.876 4.181 -0.396 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -14.540 6.421 3.164 1.00 0.00 H new ATOM 0 HH TYR A 45 -13.071 4.458 2.883 1.00 0.00 H new ATOM 667 N HIS A 46 -20.382 4.292 -1.123 1.00 0.00 N ATOM 668 CA HIS A 46 -21.574 3.593 -0.617 1.00 0.00 C ATOM 669 C HIS A 46 -22.719 4.567 -0.353 1.00 0.00 C ATOM 670 O HIS A 46 -22.591 5.490 0.448 1.00 0.00 O ATOM 671 CB HIS A 46 -21.289 2.786 0.668 1.00 0.00 C ATOM 672 CG HIS A 46 -19.851 2.415 0.890 1.00 0.00 C ATOM 673 ND1 HIS A 46 -19.165 2.725 2.045 1.00 0.00 N ATOM 674 CD2 HIS A 46 -18.966 1.778 0.093 1.00 0.00 C ATOM 675 CE1 HIS A 46 -17.924 2.297 1.945 1.00 0.00 C ATOM 676 NE2 HIS A 46 -17.775 1.720 0.770 1.00 0.00 N ATOM 0 H HIS A 46 -20.141 4.040 -2.081 1.00 0.00 H new ATOM 0 HA HIS A 46 -21.864 2.893 -1.401 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -21.633 3.365 1.525 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -21.883 1.872 0.642 1.00 0.00 H new ATOM 0 HD1 HIS A 46 -19.558 3.210 2.852 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -19.160 1.387 -0.895 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -17.158 2.401 2.699 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -16.914 1.299 0.421 1.00 0.00 H new ATOM 685 N ALA A 47 -23.849 4.344 -1.013 1.00 0.00 N ATOM 686 CA ALA A 47 -25.012 5.210 -0.846 1.00 0.00 C ATOM 687 C ALA A 47 -25.587 5.119 0.567 1.00 0.00 C ATOM 688 O ALA A 47 -26.064 6.113 1.115 1.00 0.00 O ATOM 689 CB ALA A 47 -26.078 4.863 -1.872 1.00 0.00 C ATOM 0 H ALA A 47 -23.986 3.573 -1.667 1.00 0.00 H new ATOM 0 HA ALA A 47 -24.684 6.238 -1.003 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -26.940 5.516 -1.736 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -25.675 4.998 -2.876 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -26.385 3.825 -1.741 1.00 0.00 H new ATOM 695 N LEU A 48 -25.547 3.930 1.155 1.00 0.00 N ATOM 696 CA LEU A 48 -26.079 3.733 2.500 1.00 0.00 C ATOM 697 C LEU A 48 -24.964 3.640 3.542 1.00 0.00 C ATOM 698 O LEU A 48 -25.097 4.153 4.655 1.00 0.00 O ATOM 699 CB LEU A 48 -26.961 2.479 2.554 1.00 0.00 C ATOM 700 CG LEU A 48 -26.233 1.138 2.405 1.00 0.00 C ATOM 701 CD1 LEU A 48 -26.979 0.051 3.161 1.00 0.00 C ATOM 702 CD2 LEU A 48 -26.097 0.760 0.937 1.00 0.00 C ATOM 0 H LEU A 48 -25.155 3.092 0.726 1.00 0.00 H new ATOM 0 HA LEU A 48 -26.688 4.605 2.740 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -27.496 2.476 3.504 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -27.711 2.552 1.766 1.00 0.00 H new ATOM 0 HG LEU A 48 -25.233 1.239 2.827 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -26.453 -0.897 3.048 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -27.032 0.313 4.218 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -27.988 -0.044 2.760 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -25.578 -0.195 0.854 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -27.087 0.674 0.490 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -25.528 1.529 0.414 1.00 0.00 H new ATOM 714 N ASP A 49 -23.855 3.011 3.172 1.00 0.00 N ATOM 715 CA ASP A 49 -22.720 2.847 4.084 1.00 0.00 C ATOM 716 C ASP A 49 -21.798 4.063 4.027 1.00 0.00 C ATOM 717 O ASP A 49 -20.572 3.933 4.093 1.00 0.00 O ATOM 718 CB ASP A 49 -21.923 1.581 3.739 1.00 0.00 C ATOM 719 CG ASP A 49 -22.560 0.305 4.254 1.00 0.00 C ATOM 720 OD1 ASP A 49 -22.764 0.187 5.480 1.00 0.00 O ATOM 721 OD2 ASP A 49 -22.841 -0.596 3.433 1.00 0.00 O ATOM 0 H ASP A 49 -23.713 2.605 2.247 1.00 0.00 H new ATOM 0 HA ASP A 49 -23.118 2.752 5.094 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -21.816 1.513 2.656 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -20.919 1.669 4.154 1.00 0.00 H new ATOM 726 N SER A 50 -22.390 5.241 3.894 1.00 0.00 N ATOM 727 CA SER A 50 -21.628 6.480 3.828 1.00 0.00 C ATOM 728 C SER A 50 -21.081 6.853 5.205 1.00 0.00 C ATOM 729 O SER A 50 -19.876 7.061 5.373 1.00 0.00 O ATOM 730 CB SER A 50 -22.514 7.606 3.290 1.00 0.00 C ATOM 731 OG SER A 50 -23.430 7.111 2.327 1.00 0.00 O ATOM 0 H SER A 50 -23.400 5.365 3.829 1.00 0.00 H new ATOM 0 HA SER A 50 -20.784 6.334 3.153 1.00 0.00 H new ATOM 0 HB2 SER A 50 -23.059 8.070 4.112 1.00 0.00 H new ATOM 0 HB3 SER A 50 -21.892 8.381 2.842 1.00 0.00 H new ATOM 0 HG SER A 50 -22.942 6.615 1.636 1.00 0.00 H new ATOM 737 N GLU A 51 -21.970 6.914 6.191 1.00 0.00 N ATOM 738 CA GLU A 51 -21.592 7.266 7.555 1.00 0.00 C ATOM 739 C GLU A 51 -20.636 6.232 8.135 1.00 0.00 C ATOM 740 O GLU A 51 -19.687 6.579 8.834 1.00 0.00 O ATOM 741 CB GLU A 51 -22.837 7.371 8.436 1.00 0.00 C ATOM 742 CG GLU A 51 -23.790 8.480 8.016 1.00 0.00 C ATOM 743 CD GLU A 51 -23.442 9.823 8.628 1.00 0.00 C ATOM 744 OE1 GLU A 51 -22.337 9.965 9.194 1.00 0.00 O ATOM 745 OE2 GLU A 51 -24.280 10.747 8.554 1.00 0.00 O ATOM 0 H GLU A 51 -22.964 6.723 6.069 1.00 0.00 H new ATOM 0 HA GLU A 51 -21.087 8.231 7.530 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -23.368 6.420 8.414 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -22.528 7.540 9.468 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -23.780 8.568 6.930 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -24.805 8.208 8.304 1.00 0.00 H new ATOM 752 N ASN A 52 -20.897 4.966 7.827 1.00 0.00 N ATOM 753 CA ASN A 52 -20.074 3.854 8.299 1.00 0.00 C ATOM 754 C ASN A 52 -18.599 4.072 7.959 1.00 0.00 C ATOM 755 O ASN A 52 -17.721 3.877 8.800 1.00 0.00 O ATOM 756 CB ASN A 52 -20.585 2.530 7.697 1.00 0.00 C ATOM 757 CG ASN A 52 -19.480 1.644 7.140 1.00 0.00 C ATOM 758 OD1 ASN A 52 -19.115 1.749 5.968 1.00 0.00 O ATOM 759 ND2 ASN A 52 -18.953 0.757 7.968 1.00 0.00 N ATOM 0 H ASN A 52 -21.684 4.680 7.244 1.00 0.00 H new ATOM 0 HA ASN A 52 -20.155 3.802 9.385 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -21.129 1.978 8.464 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -21.295 2.753 6.901 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -18.218 0.130 7.643 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -19.282 0.701 8.932 1.00 0.00 H new ATOM 766 N MET A 53 -18.328 4.508 6.738 1.00 0.00 N ATOM 767 CA MET A 53 -16.956 4.730 6.315 1.00 0.00 C ATOM 768 C MET A 53 -16.459 6.094 6.770 1.00 0.00 C ATOM 769 O MET A 53 -15.294 6.241 7.133 1.00 0.00 O ATOM 770 CB MET A 53 -16.822 4.582 4.801 1.00 0.00 C ATOM 771 CG MET A 53 -15.793 3.535 4.396 1.00 0.00 C ATOM 772 SD MET A 53 -14.111 3.979 4.874 1.00 0.00 S ATOM 773 CE MET A 53 -13.298 2.386 4.760 1.00 0.00 C ATOM 0 H MET A 53 -19.033 4.713 6.030 1.00 0.00 H new ATOM 0 HA MET A 53 -16.333 3.970 6.786 1.00 0.00 H new ATOM 0 HB2 MET A 53 -17.791 4.313 4.380 1.00 0.00 H new ATOM 0 HB3 MET A 53 -16.543 5.544 4.370 1.00 0.00 H new ATOM 0 HG2 MET A 53 -16.055 2.580 4.853 1.00 0.00 H new ATOM 0 HG3 MET A 53 -15.833 3.393 3.316 1.00 0.00 H new ATOM 0 HE1 MET A 53 -12.260 2.484 5.078 1.00 0.00 H new ATOM 0 HE2 MET A 53 -13.809 1.670 5.404 1.00 0.00 H new ATOM 0 HE3 MET A 53 -13.330 2.034 3.729 1.00 0.00 H new ATOM 783 N THR A 54 -17.343 7.087 6.763 1.00 0.00 N ATOM 784 CA THR A 54 -16.974 8.429 7.195 1.00 0.00 C ATOM 785 C THR A 54 -16.528 8.410 8.657 1.00 0.00 C ATOM 786 O THR A 54 -15.539 9.047 9.026 1.00 0.00 O ATOM 787 CB THR A 54 -18.141 9.424 7.020 1.00 0.00 C ATOM 788 OG1 THR A 54 -18.601 9.410 5.661 1.00 0.00 O ATOM 789 CG2 THR A 54 -17.708 10.833 7.391 1.00 0.00 C ATOM 0 H THR A 54 -18.313 6.988 6.465 1.00 0.00 H new ATOM 0 HA THR A 54 -16.148 8.761 6.566 1.00 0.00 H new ATOM 0 HB THR A 54 -18.950 9.118 7.683 1.00 0.00 H new ATOM 0 HG1 THR A 54 -18.964 8.525 5.448 1.00 0.00 H new ATOM 0 HG21 THR A 54 -18.546 11.518 7.260 1.00 0.00 H new ATOM 0 HG22 THR A 54 -17.383 10.852 8.431 1.00 0.00 H new ATOM 0 HG23 THR A 54 -16.884 11.142 6.748 1.00 0.00 H new ATOM 797 N LYS A 55 -17.250 7.652 9.475 1.00 0.00 N ATOM 798 CA LYS A 55 -16.935 7.529 10.892 1.00 0.00 C ATOM 799 C LYS A 55 -15.611 6.803 11.076 1.00 0.00 C ATOM 800 O LYS A 55 -14.766 7.224 11.869 1.00 0.00 O ATOM 801 CB LYS A 55 -18.057 6.786 11.620 1.00 0.00 C ATOM 802 CG LYS A 55 -19.055 7.700 12.316 1.00 0.00 C ATOM 803 CD LYS A 55 -19.447 8.885 11.446 1.00 0.00 C ATOM 804 CE LYS A 55 -20.493 9.750 12.126 1.00 0.00 C ATOM 805 NZ LYS A 55 -21.874 9.359 11.745 1.00 0.00 N ATOM 0 H LYS A 55 -18.062 7.111 9.178 1.00 0.00 H new ATOM 0 HA LYS A 55 -16.845 8.528 11.319 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -18.590 6.162 10.903 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -17.616 6.117 12.359 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -19.947 7.131 12.576 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -18.625 8.062 13.249 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -18.564 9.485 11.226 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -19.834 8.526 10.492 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -20.380 9.672 13.207 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -20.326 10.794 11.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -22.543 9.703 12.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -22.111 9.777 10.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -21.937 8.323 11.682 1.00 0.00 H new ATOM 819 N SER A 56 -15.432 5.721 10.326 1.00 0.00 N ATOM 820 CA SER A 56 -14.204 4.943 10.383 1.00 0.00 C ATOM 821 C SER A 56 -13.022 5.810 9.961 1.00 0.00 C ATOM 822 O SER A 56 -11.949 5.748 10.555 1.00 0.00 O ATOM 823 CB SER A 56 -14.317 3.716 9.474 1.00 0.00 C ATOM 824 OG SER A 56 -15.434 2.918 9.837 1.00 0.00 O ATOM 0 H SER A 56 -16.126 5.363 9.670 1.00 0.00 H new ATOM 0 HA SER A 56 -14.043 4.603 11.406 1.00 0.00 H new ATOM 0 HB2 SER A 56 -14.415 4.035 8.436 1.00 0.00 H new ATOM 0 HB3 SER A 56 -13.405 3.124 9.541 1.00 0.00 H new ATOM 0 HG SER A 56 -16.188 3.121 9.244 1.00 0.00 H new ATOM 830 N HIS A 57 -13.244 6.633 8.941 1.00 0.00 N ATOM 831 CA HIS A 57 -12.221 7.533 8.430 1.00 0.00 C ATOM 832 C HIS A 57 -11.851 8.572 9.489 1.00 0.00 C ATOM 833 O HIS A 57 -10.681 8.919 9.646 1.00 0.00 O ATOM 834 CB HIS A 57 -12.724 8.213 7.147 1.00 0.00 C ATOM 835 CG HIS A 57 -11.771 9.203 6.541 1.00 0.00 C ATOM 836 ND1 HIS A 57 -12.191 10.268 5.777 1.00 0.00 N ATOM 837 CD2 HIS A 57 -10.419 9.282 6.579 1.00 0.00 C ATOM 838 CE1 HIS A 57 -11.144 10.958 5.375 1.00 0.00 C ATOM 839 NE2 HIS A 57 -10.056 10.383 5.849 1.00 0.00 N ATOM 0 H HIS A 57 -14.135 6.693 8.448 1.00 0.00 H new ATOM 0 HA HIS A 57 -11.324 6.960 8.192 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -12.944 7.443 6.407 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -13.663 8.722 7.367 1.00 0.00 H new ATOM 0 HD1 HIS A 57 -13.162 10.488 5.557 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -9.752 8.603 7.090 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -11.172 11.846 4.760 1.00 0.00 H new ATOM 848 N GLN A 58 -12.852 9.055 10.216 1.00 0.00 N ATOM 849 CA GLN A 58 -12.631 10.045 11.264 1.00 0.00 C ATOM 850 C GLN A 58 -11.748 9.462 12.361 1.00 0.00 C ATOM 851 O GLN A 58 -10.709 10.025 12.700 1.00 0.00 O ATOM 852 CB GLN A 58 -13.963 10.502 11.862 1.00 0.00 C ATOM 853 CG GLN A 58 -13.831 11.680 12.815 1.00 0.00 C ATOM 854 CD GLN A 58 -14.919 11.705 13.869 1.00 0.00 C ATOM 855 OE1 GLN A 58 -16.040 11.245 13.642 1.00 0.00 O ATOM 856 NE2 GLN A 58 -14.594 12.242 15.034 1.00 0.00 N ATOM 0 H GLN A 58 -13.826 8.777 10.099 1.00 0.00 H new ATOM 0 HA GLN A 58 -12.131 10.906 10.821 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -14.640 10.774 11.053 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -14.419 9.666 12.392 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -12.858 11.639 13.304 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -13.862 12.608 12.245 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -13.655 12.612 15.181 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -15.283 12.286 15.785 1.00 0.00 H new ATOM 865 N ASN A 59 -12.168 8.316 12.888 1.00 0.00 N ATOM 866 CA ASN A 59 -11.436 7.626 13.951 1.00 0.00 C ATOM 867 C ASN A 59 -10.045 7.212 13.476 1.00 0.00 C ATOM 868 O ASN A 59 -9.090 7.182 14.251 1.00 0.00 O ATOM 869 CB ASN A 59 -12.236 6.399 14.412 1.00 0.00 C ATOM 870 CG ASN A 59 -11.511 5.557 15.447 1.00 0.00 C ATOM 871 OD1 ASN A 59 -11.500 5.882 16.636 1.00 0.00 O ATOM 872 ND2 ASN A 59 -10.924 4.455 15.005 1.00 0.00 N ATOM 0 H ASN A 59 -13.021 7.839 12.594 1.00 0.00 H new ATOM 0 HA ASN A 59 -11.310 8.309 14.791 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -13.188 6.731 14.827 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -12.465 5.778 13.546 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -10.439 3.839 15.657 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -10.957 4.223 14.012 1.00 0.00 H new ATOM 879 N LEU A 60 -9.944 6.913 12.190 1.00 0.00 N ATOM 880 CA LEU A 60 -8.687 6.499 11.576 1.00 0.00 C ATOM 881 C LEU A 60 -7.627 7.597 11.673 1.00 0.00 C ATOM 882 O LEU A 60 -6.458 7.320 11.938 1.00 0.00 O ATOM 883 CB LEU A 60 -8.942 6.136 10.109 1.00 0.00 C ATOM 884 CG LEU A 60 -7.704 5.988 9.225 1.00 0.00 C ATOM 885 CD1 LEU A 60 -6.914 4.748 9.608 1.00 0.00 C ATOM 886 CD2 LEU A 60 -8.112 5.932 7.763 1.00 0.00 C ATOM 0 H LEU A 60 -10.730 6.950 11.541 1.00 0.00 H new ATOM 0 HA LEU A 60 -8.307 5.630 12.113 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -9.498 5.199 10.080 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -9.584 6.901 9.673 1.00 0.00 H new ATOM 0 HG LEU A 60 -7.063 6.856 9.377 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -6.037 4.662 8.966 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -6.596 4.826 10.648 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -7.541 3.865 9.485 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -7.223 5.827 7.141 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -8.771 5.079 7.602 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -8.635 6.850 7.496 1.00 0.00 H new ATOM 898 N CYS A 61 -8.049 8.843 11.499 1.00 0.00 N ATOM 899 CA CYS A 61 -7.131 9.979 11.539 1.00 0.00 C ATOM 900 C CYS A 61 -6.607 10.252 12.952 1.00 0.00 C ATOM 901 O CYS A 61 -5.681 11.045 13.132 1.00 0.00 O ATOM 902 CB CYS A 61 -7.821 11.227 10.986 1.00 0.00 C ATOM 903 SG CYS A 61 -8.571 10.991 9.358 1.00 0.00 S ATOM 0 H CYS A 61 -9.023 9.095 11.328 1.00 0.00 H new ATOM 0 HA CYS A 61 -6.272 9.727 10.917 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -8.592 11.544 11.688 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -7.093 12.036 10.926 1.00 0.00 H new ATOM 0 HG CYS A 61 -9.571 10.167 9.456 1.00 0.00 H new ATOM 909 N THR A 62 -7.198 9.606 13.948 1.00 0.00 N ATOM 910 CA THR A 62 -6.776 9.793 15.330 1.00 0.00 C ATOM 911 C THR A 62 -6.116 8.537 15.896 1.00 0.00 C ATOM 912 O THR A 62 -5.035 8.604 16.479 1.00 0.00 O ATOM 913 CB THR A 62 -7.968 10.183 16.220 1.00 0.00 C ATOM 914 OG1 THR A 62 -9.154 10.278 15.420 1.00 0.00 O ATOM 915 CG2 THR A 62 -7.715 11.510 16.916 1.00 0.00 C ATOM 0 H THR A 62 -7.969 8.950 13.826 1.00 0.00 H new ATOM 0 HA THR A 62 -6.043 10.600 15.329 1.00 0.00 H new ATOM 0 HB THR A 62 -8.096 9.414 16.981 1.00 0.00 H new ATOM 0 HG1 THR A 62 -9.913 10.525 15.988 1.00 0.00 H new ATOM 0 HG21 THR A 62 -8.573 11.763 17.539 1.00 0.00 H new ATOM 0 HG22 THR A 62 -6.824 11.430 17.539 1.00 0.00 H new ATOM 0 HG23 THR A 62 -7.566 12.290 16.169 1.00 0.00 H new ATOM 923 N LYS A 63 -6.756 7.392 15.701 1.00 0.00 N ATOM 924 CA LYS A 63 -6.237 6.126 16.212 1.00 0.00 C ATOM 925 C LYS A 63 -5.069 5.608 15.376 1.00 0.00 C ATOM 926 O LYS A 63 -4.363 4.690 15.794 1.00 0.00 O ATOM 927 CB LYS A 63 -7.354 5.084 16.256 1.00 0.00 C ATOM 928 CG LYS A 63 -8.463 5.433 17.231 1.00 0.00 C ATOM 929 CD LYS A 63 -8.208 4.842 18.608 1.00 0.00 C ATOM 930 CE LYS A 63 -9.194 5.376 19.636 1.00 0.00 C ATOM 931 NZ LYS A 63 -10.608 5.148 19.232 1.00 0.00 N ATOM 0 H LYS A 63 -7.636 7.312 15.192 1.00 0.00 H new ATOM 0 HA LYS A 63 -5.864 6.305 17.220 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -7.778 4.974 15.258 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -6.930 4.118 16.530 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -8.550 6.517 17.311 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -9.414 5.064 16.847 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -8.285 3.756 18.559 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -7.191 5.076 18.923 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -9.011 4.895 20.597 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -9.026 6.444 19.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -11.243 5.543 19.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -10.788 5.614 18.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -10.782 4.127 19.139 1.00 0.00 H new ATOM 945 N GLY A 64 -4.879 6.177 14.191 1.00 0.00 N ATOM 946 CA GLY A 64 -3.784 5.757 13.332 1.00 0.00 C ATOM 947 C GLY A 64 -4.168 4.602 12.434 1.00 0.00 C ATOM 948 O GLY A 64 -4.020 4.675 11.217 1.00 0.00 O ATOM 0 H GLY A 64 -5.462 6.921 13.809 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.463 6.599 12.719 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -2.933 5.468 13.948 1.00 0.00 H new ATOM 952 N GLN A 65 -4.656 3.534 13.037 1.00 0.00 N ATOM 953 CA GLN A 65 -5.075 2.358 12.295 1.00 0.00 C ATOM 954 C GLN A 65 -6.494 1.985 12.699 1.00 0.00 C ATOM 955 O GLN A 65 -6.817 1.956 13.888 1.00 0.00 O ATOM 956 CB GLN A 65 -4.113 1.189 12.548 1.00 0.00 C ATOM 957 CG GLN A 65 -4.497 -0.093 11.826 1.00 0.00 C ATOM 958 CD GLN A 65 -3.482 -1.199 12.033 1.00 0.00 C ATOM 959 OE1 GLN A 65 -3.534 -1.922 13.026 1.00 0.00 O ATOM 960 NE2 GLN A 65 -2.556 -1.346 11.099 1.00 0.00 N ATOM 0 H GLN A 65 -4.773 3.456 14.047 1.00 0.00 H new ATOM 0 HA GLN A 65 -5.056 2.581 11.228 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -3.110 1.483 12.237 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.070 0.992 13.619 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -5.472 -0.428 12.180 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -4.597 0.110 10.760 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -2.546 -0.726 10.289 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -1.853 -2.079 11.189 1.00 0.00 H new ATOM 969 N VAL A 66 -7.341 1.723 11.717 1.00 0.00 N ATOM 970 CA VAL A 66 -8.724 1.371 11.988 1.00 0.00 C ATOM 971 C VAL A 66 -9.114 0.093 11.252 1.00 0.00 C ATOM 972 O VAL A 66 -8.676 -0.148 10.122 1.00 0.00 O ATOM 973 CB VAL A 66 -9.690 2.522 11.602 1.00 0.00 C ATOM 974 CG1 VAL A 66 -9.838 2.642 10.090 1.00 0.00 C ATOM 975 CG2 VAL A 66 -11.048 2.331 12.258 1.00 0.00 C ATOM 0 H VAL A 66 -7.095 1.747 10.727 1.00 0.00 H new ATOM 0 HA VAL A 66 -8.810 1.200 13.061 1.00 0.00 H new ATOM 0 HB VAL A 66 -9.256 3.452 11.970 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -10.522 3.458 9.855 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -8.864 2.845 9.644 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -10.234 1.710 9.688 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -11.708 3.150 11.973 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -11.480 1.385 11.931 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -10.930 2.320 13.342 1.00 0.00 H new ATOM 985 N VAL A 67 -9.914 -0.732 11.911 1.00 0.00 N ATOM 986 CA VAL A 67 -10.378 -1.980 11.327 1.00 0.00 C ATOM 987 C VAL A 67 -11.838 -1.848 10.915 1.00 0.00 C ATOM 988 O VAL A 67 -12.735 -1.837 11.759 1.00 0.00 O ATOM 989 CB VAL A 67 -10.235 -3.166 12.306 1.00 0.00 C ATOM 990 CG1 VAL A 67 -10.428 -4.489 11.579 1.00 0.00 C ATOM 991 CG2 VAL A 67 -8.882 -3.133 12.997 1.00 0.00 C ATOM 0 H VAL A 67 -10.256 -0.557 12.856 1.00 0.00 H new ATOM 0 HA VAL A 67 -9.755 -2.182 10.456 1.00 0.00 H new ATOM 0 HB VAL A 67 -11.011 -3.074 13.066 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -10.323 -5.312 12.286 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -11.422 -4.518 11.134 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -9.677 -4.587 10.795 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -8.803 -3.977 13.682 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -8.090 -3.196 12.250 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -8.781 -2.202 13.555 1.00 0.00 H new ATOM 1001 N SER A 68 -12.069 -1.716 9.622 1.00 0.00 N ATOM 1002 CA SER A 68 -13.415 -1.581 9.098 1.00 0.00 C ATOM 1003 C SER A 68 -13.946 -2.940 8.662 1.00 0.00 C ATOM 1004 O SER A 68 -13.228 -3.726 8.032 1.00 0.00 O ATOM 1005 CB SER A 68 -13.418 -0.597 7.931 1.00 0.00 C ATOM 1006 OG SER A 68 -12.583 0.515 8.216 1.00 0.00 O ATOM 0 H SER A 68 -11.337 -1.699 8.912 1.00 0.00 H new ATOM 0 HA SER A 68 -14.069 -1.195 9.880 1.00 0.00 H new ATOM 0 HB2 SER A 68 -13.072 -1.096 7.026 1.00 0.00 H new ATOM 0 HB3 SER A 68 -14.435 -0.256 7.738 1.00 0.00 H new ATOM 0 HG SER A 68 -12.594 1.136 7.458 1.00 0.00 H new ATOM 1012 N GLY A 69 -15.192 -3.219 9.014 1.00 0.00 N ATOM 1013 CA GLY A 69 -15.802 -4.487 8.670 1.00 0.00 C ATOM 1014 C GLY A 69 -16.307 -4.532 7.244 1.00 0.00 C ATOM 1015 O GLY A 69 -15.960 -3.680 6.424 1.00 0.00 O ATOM 0 H GLY A 69 -15.796 -2.584 9.536 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -15.075 -5.286 8.818 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -16.632 -4.681 9.350 1.00 0.00 H new ATOM 1019 N GLN A 70 -17.130 -5.530 6.951 1.00 0.00 N ATOM 1020 CA GLN A 70 -17.687 -5.700 5.619 1.00 0.00 C ATOM 1021 C GLN A 70 -18.773 -4.671 5.343 1.00 0.00 C ATOM 1022 O GLN A 70 -19.780 -4.607 6.051 1.00 0.00 O ATOM 1023 CB GLN A 70 -18.268 -7.106 5.459 1.00 0.00 C ATOM 1024 CG GLN A 70 -17.234 -8.166 5.124 1.00 0.00 C ATOM 1025 CD GLN A 70 -17.790 -9.571 5.227 1.00 0.00 C ATOM 1026 OE1 GLN A 70 -17.723 -10.202 6.279 1.00 0.00 O ATOM 1027 NE2 GLN A 70 -18.349 -10.069 4.136 1.00 0.00 N ATOM 0 H GLN A 70 -17.427 -6.237 7.623 1.00 0.00 H new ATOM 0 HA GLN A 70 -16.879 -5.557 4.902 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -18.775 -7.386 6.383 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -19.024 -7.089 4.674 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -16.862 -7.999 4.113 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -16.383 -8.065 5.798 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -18.385 -9.513 3.282 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -18.744 -11.009 4.149 1.00 0.00 H new ATOM 1036 N TYR A 71 -18.556 -3.856 4.329 1.00 0.00 N ATOM 1037 CA TYR A 71 -19.531 -2.853 3.939 1.00 0.00 C ATOM 1038 C TYR A 71 -19.886 -3.040 2.473 1.00 0.00 C ATOM 1039 O TYR A 71 -19.198 -3.766 1.755 1.00 0.00 O ATOM 1040 CB TYR A 71 -19.008 -1.432 4.199 1.00 0.00 C ATOM 1041 CG TYR A 71 -17.639 -1.131 3.613 1.00 0.00 C ATOM 1042 CD1 TYR A 71 -17.400 -1.221 2.245 1.00 0.00 C ATOM 1043 CD2 TYR A 71 -16.590 -0.737 4.432 1.00 0.00 C ATOM 1044 CE1 TYR A 71 -16.160 -0.928 1.715 1.00 0.00 C ATOM 1045 CE2 TYR A 71 -15.349 -0.437 3.907 1.00 0.00 C ATOM 1046 CZ TYR A 71 -15.140 -0.536 2.549 1.00 0.00 C ATOM 1047 OH TYR A 71 -13.910 -0.229 2.023 1.00 0.00 O ATOM 0 H TYR A 71 -17.711 -3.868 3.758 1.00 0.00 H new ATOM 0 HA TYR A 71 -20.427 -2.981 4.546 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -19.725 -0.718 3.793 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -18.969 -1.267 5.276 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -18.200 -1.526 1.586 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -16.747 -0.664 5.498 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -15.992 -1.006 0.651 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -14.545 -0.126 4.558 1.00 0.00 H new ATOM 0 HH TYR A 71 -13.247 -0.189 2.743 1.00 0.00 H new ATOM 1057 N ARG A 72 -20.944 -2.386 2.027 1.00 0.00 N ATOM 1058 CA ARG A 72 -21.370 -2.501 0.644 1.00 0.00 C ATOM 1059 C ARG A 72 -20.648 -1.484 -0.232 1.00 0.00 C ATOM 1060 O ARG A 72 -21.061 -0.327 -0.321 1.00 0.00 O ATOM 1061 CB ARG A 72 -22.882 -2.306 0.538 1.00 0.00 C ATOM 1062 CG ARG A 72 -23.680 -3.296 1.364 1.00 0.00 C ATOM 1063 CD ARG A 72 -25.041 -2.736 1.734 1.00 0.00 C ATOM 1064 NE ARG A 72 -25.680 -3.514 2.791 1.00 0.00 N ATOM 1065 CZ ARG A 72 -25.396 -3.391 4.086 1.00 0.00 C ATOM 1066 NH1 ARG A 72 -24.511 -2.490 4.502 1.00 0.00 N ATOM 1067 NH2 ARG A 72 -26.003 -4.172 4.972 1.00 0.00 N ATOM 0 H ARG A 72 -21.522 -1.772 2.600 1.00 0.00 H new ATOM 0 HA ARG A 72 -21.116 -3.501 0.291 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -23.133 -1.294 0.856 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -23.179 -2.394 -0.507 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -23.806 -4.222 0.803 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -23.128 -3.545 2.271 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -24.932 -1.702 2.060 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -25.682 -2.726 0.852 1.00 0.00 H new ATOM 0 HE ARG A 72 -26.389 -4.195 2.520 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -24.043 -1.885 3.827 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -24.300 -2.403 5.496 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -26.685 -4.864 4.660 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -25.788 -4.080 5.965 1.00 0.00 H new ATOM 1081 N MET A 73 -19.559 -1.911 -0.856 1.00 0.00 N ATOM 1082 CA MET A 73 -18.779 -1.039 -1.728 1.00 0.00 C ATOM 1083 C MET A 73 -19.463 -0.917 -3.082 1.00 0.00 C ATOM 1084 O MET A 73 -19.881 -1.917 -3.660 1.00 0.00 O ATOM 1085 CB MET A 73 -17.355 -1.579 -1.900 1.00 0.00 C ATOM 1086 CG MET A 73 -16.434 -0.640 -2.667 1.00 0.00 C ATOM 1087 SD MET A 73 -16.261 0.970 -1.868 1.00 0.00 S ATOM 1088 CE MET A 73 -15.231 1.830 -3.056 1.00 0.00 C ATOM 0 H MET A 73 -19.193 -2.860 -0.775 1.00 0.00 H new ATOM 0 HA MET A 73 -18.717 -0.052 -1.269 1.00 0.00 H new ATOM 0 HB2 MET A 73 -16.927 -1.770 -0.916 1.00 0.00 H new ATOM 0 HB3 MET A 73 -17.399 -2.536 -2.420 1.00 0.00 H new ATOM 0 HG2 MET A 73 -15.451 -1.101 -2.764 1.00 0.00 H new ATOM 0 HG3 MET A 73 -16.822 -0.501 -3.676 1.00 0.00 H new ATOM 0 HE1 MET A 73 -15.036 2.842 -2.703 1.00 0.00 H new ATOM 0 HE2 MET A 73 -14.287 1.298 -3.172 1.00 0.00 H new ATOM 0 HE3 MET A 73 -15.743 1.874 -4.017 1.00 0.00 H new ATOM 1098 N LEU A 74 -19.573 0.305 -3.581 1.00 0.00 N ATOM 1099 CA LEU A 74 -20.225 0.546 -4.857 1.00 0.00 C ATOM 1100 C LEU A 74 -19.290 0.236 -6.019 1.00 0.00 C ATOM 1101 O LEU A 74 -18.207 0.809 -6.136 1.00 0.00 O ATOM 1102 CB LEU A 74 -20.715 1.994 -4.948 1.00 0.00 C ATOM 1103 CG LEU A 74 -21.559 2.315 -6.186 1.00 0.00 C ATOM 1104 CD1 LEU A 74 -22.826 1.477 -6.205 1.00 0.00 C ATOM 1105 CD2 LEU A 74 -21.904 3.795 -6.230 1.00 0.00 C ATOM 0 H LEU A 74 -19.219 1.144 -3.121 1.00 0.00 H new ATOM 0 HA LEU A 74 -21.085 -0.121 -4.922 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -21.302 2.220 -4.058 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -19.849 2.656 -4.935 1.00 0.00 H new ATOM 0 HG LEU A 74 -20.971 2.070 -7.070 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -23.410 1.721 -7.092 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -22.563 0.419 -6.223 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -23.416 1.689 -5.313 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -22.503 4.003 -7.116 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -22.470 4.063 -5.338 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -20.986 4.382 -6.267 1.00 0.00 H new ATOM 1117 N ALA A 75 -19.713 -0.696 -6.857 1.00 0.00 N ATOM 1118 CA ALA A 75 -18.949 -1.093 -8.024 1.00 0.00 C ATOM 1119 C ALA A 75 -19.307 -0.197 -9.205 1.00 0.00 C ATOM 1120 O ALA A 75 -20.320 0.503 -9.167 1.00 0.00 O ATOM 1121 CB ALA A 75 -19.215 -2.553 -8.349 1.00 0.00 C ATOM 0 H ALA A 75 -20.595 -1.197 -6.746 1.00 0.00 H new ATOM 0 HA ALA A 75 -17.885 -0.980 -7.815 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -18.637 -2.842 -9.227 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -18.923 -3.173 -7.502 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -20.277 -2.693 -8.552 1.00 0.00 H new ATOM 1127 N LYS A 76 -18.504 -0.243 -10.264 1.00 0.00 N ATOM 1128 CA LYS A 76 -18.740 0.595 -11.442 1.00 0.00 C ATOM 1129 C LYS A 76 -19.872 0.045 -12.314 1.00 0.00 C ATOM 1130 O LYS A 76 -19.673 -0.256 -13.491 1.00 0.00 O ATOM 1131 CB LYS A 76 -17.463 0.721 -12.271 1.00 0.00 C ATOM 1132 CG LYS A 76 -17.445 1.946 -13.168 1.00 0.00 C ATOM 1133 CD LYS A 76 -16.331 1.869 -14.194 1.00 0.00 C ATOM 1134 CE LYS A 76 -16.693 0.937 -15.340 1.00 0.00 C ATOM 1135 NZ LYS A 76 -17.797 1.481 -16.175 1.00 0.00 N ATOM 0 H LYS A 76 -17.686 -0.848 -10.334 1.00 0.00 H new ATOM 0 HA LYS A 76 -19.039 1.580 -11.085 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -16.605 0.759 -11.600 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -17.348 -0.172 -12.885 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -18.404 2.039 -13.677 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -17.319 2.842 -12.560 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -16.125 2.865 -14.585 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -15.417 1.520 -13.714 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -15.815 0.772 -15.964 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -16.986 -0.033 -14.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -17.811 0.992 -17.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -18.705 1.333 -15.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -17.648 2.499 -16.327 1.00 0.00 H new ATOM 1149 N HIS A 77 -21.051 -0.091 -11.716 1.00 0.00 N ATOM 1150 CA HIS A 77 -22.243 -0.589 -12.406 1.00 0.00 C ATOM 1151 C HIS A 77 -23.412 -0.696 -11.434 1.00 0.00 C ATOM 1152 O HIS A 77 -24.318 -1.506 -11.624 1.00 0.00 O ATOM 1153 CB HIS A 77 -21.997 -1.951 -13.087 1.00 0.00 C ATOM 1154 CG HIS A 77 -21.496 -3.035 -12.178 1.00 0.00 C ATOM 1155 ND1 HIS A 77 -22.315 -3.992 -11.625 1.00 0.00 N ATOM 1156 CD2 HIS A 77 -20.246 -3.321 -11.745 1.00 0.00 C ATOM 1157 CE1 HIS A 77 -21.595 -4.815 -10.888 1.00 0.00 C ATOM 1158 NE2 HIS A 77 -20.333 -4.431 -10.944 1.00 0.00 N ATOM 0 H HIS A 77 -21.211 0.141 -10.736 1.00 0.00 H new ATOM 0 HA HIS A 77 -22.485 0.130 -13.189 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -22.928 -2.284 -13.546 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -21.277 -1.812 -13.893 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -19.346 -2.775 -11.986 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -21.974 -5.660 -10.332 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -19.552 -4.885 -10.470 1.00 0.00 H new ATOM 1167 N GLY A 78 -23.389 0.134 -10.395 1.00 0.00 N ATOM 1168 CA GLY A 78 -24.448 0.122 -9.400 1.00 0.00 C ATOM 1169 C GLY A 78 -24.501 -1.174 -8.615 1.00 0.00 C ATOM 1170 O GLY A 78 -25.564 -1.586 -8.153 1.00 0.00 O ATOM 0 H GLY A 78 -22.652 0.818 -10.224 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -24.302 0.954 -8.711 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -25.406 0.282 -9.894 1.00 0.00 H new ATOM 1174 N GLY A 79 -23.356 -1.826 -8.479 1.00 0.00 N ATOM 1175 CA GLY A 79 -23.298 -3.073 -7.743 1.00 0.00 C ATOM 1176 C GLY A 79 -22.705 -2.876 -6.369 1.00 0.00 C ATOM 1177 O GLY A 79 -22.004 -1.893 -6.138 1.00 0.00 O ATOM 0 H GLY A 79 -22.465 -1.514 -8.865 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -24.301 -3.490 -7.651 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -22.701 -3.797 -8.298 1.00 0.00 H new ATOM 1181 N TYR A 80 -22.976 -3.794 -5.456 1.00 0.00 N ATOM 1182 CA TYR A 80 -22.452 -3.681 -4.101 1.00 0.00 C ATOM 1183 C TYR A 80 -21.627 -4.897 -3.707 1.00 0.00 C ATOM 1184 O TYR A 80 -22.136 -6.011 -3.629 1.00 0.00 O ATOM 1185 CB TYR A 80 -23.591 -3.468 -3.104 1.00 0.00 C ATOM 1186 CG TYR A 80 -24.054 -2.030 -3.029 1.00 0.00 C ATOM 1187 CD1 TYR A 80 -23.179 -1.022 -2.650 1.00 0.00 C ATOM 1188 CD2 TYR A 80 -25.360 -1.680 -3.341 1.00 0.00 C ATOM 1189 CE1 TYR A 80 -23.591 0.294 -2.582 1.00 0.00 C ATOM 1190 CE2 TYR A 80 -25.779 -0.365 -3.277 1.00 0.00 C ATOM 1191 CZ TYR A 80 -24.891 0.617 -2.897 1.00 0.00 C ATOM 1192 OH TYR A 80 -25.306 1.926 -2.831 1.00 0.00 O ATOM 0 H TYR A 80 -23.551 -4.620 -5.624 1.00 0.00 H new ATOM 0 HA TYR A 80 -21.791 -2.814 -4.079 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -24.434 -4.100 -3.384 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -23.265 -3.790 -2.115 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -22.157 -1.271 -2.404 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -26.060 -2.447 -3.638 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -22.897 1.066 -2.283 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -26.799 -0.108 -3.524 1.00 0.00 H new ATOM 0 HH TYR A 80 -26.251 1.983 -3.086 1.00 0.00 H new ATOM 1202 N VAL A 81 -20.347 -4.667 -3.459 1.00 0.00 N ATOM 1203 CA VAL A 81 -19.435 -5.728 -3.063 1.00 0.00 C ATOM 1204 C VAL A 81 -19.060 -5.566 -1.596 1.00 0.00 C ATOM 1205 O VAL A 81 -18.660 -4.483 -1.169 1.00 0.00 O ATOM 1206 CB VAL A 81 -18.145 -5.733 -3.916 1.00 0.00 C ATOM 1207 CG1 VAL A 81 -17.654 -7.155 -4.133 1.00 0.00 C ATOM 1208 CG2 VAL A 81 -18.361 -5.029 -5.248 1.00 0.00 C ATOM 0 H VAL A 81 -19.914 -3.746 -3.526 1.00 0.00 H new ATOM 0 HA VAL A 81 -19.950 -6.675 -3.222 1.00 0.00 H new ATOM 0 HB VAL A 81 -17.380 -5.182 -3.369 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -16.746 -7.138 -4.735 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -17.442 -7.618 -3.169 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -18.422 -7.730 -4.650 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -17.436 -5.049 -5.824 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -19.147 -5.538 -5.805 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -18.655 -3.995 -5.069 1.00 0.00 H new ATOM 1218 N TRP A 82 -19.201 -6.636 -0.829 1.00 0.00 N ATOM 1219 CA TRP A 82 -18.883 -6.604 0.595 1.00 0.00 C ATOM 1220 C TRP A 82 -17.382 -6.716 0.822 1.00 0.00 C ATOM 1221 O TRP A 82 -16.797 -7.792 0.671 1.00 0.00 O ATOM 1222 CB TRP A 82 -19.612 -7.728 1.327 1.00 0.00 C ATOM 1223 CG TRP A 82 -21.091 -7.513 1.408 1.00 0.00 C ATOM 1224 CD1 TRP A 82 -21.991 -7.600 0.387 1.00 0.00 C ATOM 1225 CD2 TRP A 82 -21.839 -7.170 2.576 1.00 0.00 C ATOM 1226 NE1 TRP A 82 -23.255 -7.335 0.851 1.00 0.00 N ATOM 1227 CE2 TRP A 82 -23.188 -7.069 2.193 1.00 0.00 C ATOM 1228 CE3 TRP A 82 -21.497 -6.944 3.909 1.00 0.00 C ATOM 1229 CZ2 TRP A 82 -24.195 -6.747 3.097 1.00 0.00 C ATOM 1230 CZ3 TRP A 82 -22.497 -6.624 4.806 1.00 0.00 C ATOM 1231 CH2 TRP A 82 -23.831 -6.531 4.397 1.00 0.00 C ATOM 0 H TRP A 82 -19.534 -7.539 -1.167 1.00 0.00 H new ATOM 0 HA TRP A 82 -19.218 -5.647 0.995 1.00 0.00 H new ATOM 0 HB2 TRP A 82 -19.415 -8.672 0.819 1.00 0.00 H new ATOM 0 HB3 TRP A 82 -19.208 -7.819 2.335 1.00 0.00 H new ATOM 0 HD1 TRP A 82 -21.745 -7.842 -0.636 1.00 0.00 H new ATOM 0 HE1 TRP A 82 -24.106 -7.336 0.288 1.00 0.00 H new ATOM 0 HE3 TRP A 82 -20.470 -7.018 4.234 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 -25.226 -6.670 2.784 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 -22.245 -6.443 5.840 1.00 0.00 H new ATOM 0 HH2 TRP A 82 -24.590 -6.283 5.124 1.00 0.00 H new ATOM 1242 N LEU A 83 -16.770 -5.598 1.191 1.00 0.00 N ATOM 1243 CA LEU A 83 -15.331 -5.546 1.424 1.00 0.00 C ATOM 1244 C LEU A 83 -15.002 -5.016 2.814 1.00 0.00 C ATOM 1245 O LEU A 83 -15.707 -4.154 3.338 1.00 0.00 O ATOM 1246 CB LEU A 83 -14.658 -4.633 0.388 1.00 0.00 C ATOM 1247 CG LEU A 83 -14.209 -5.301 -0.915 1.00 0.00 C ATOM 1248 CD1 LEU A 83 -15.403 -5.661 -1.780 1.00 0.00 C ATOM 1249 CD2 LEU A 83 -13.268 -4.382 -1.678 1.00 0.00 C ATOM 0 H LEU A 83 -17.250 -4.710 1.336 1.00 0.00 H new ATOM 0 HA LEU A 83 -14.957 -6.566 1.336 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -15.351 -3.829 0.139 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -13.787 -4.171 0.853 1.00 0.00 H new ATOM 0 HG LEU A 83 -13.681 -6.221 -0.662 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -15.057 -6.134 -2.699 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -16.050 -6.351 -1.238 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -15.961 -4.757 -2.025 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -12.955 -4.868 -2.602 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -13.781 -3.450 -1.913 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -12.392 -4.169 -1.066 1.00 0.00 H new ATOM 1261 N GLU A 84 -13.942 -5.559 3.406 1.00 0.00 N ATOM 1262 CA GLU A 84 -13.457 -5.111 4.708 1.00 0.00 C ATOM 1263 C GLU A 84 -12.354 -4.088 4.469 1.00 0.00 C ATOM 1264 O GLU A 84 -11.959 -3.874 3.319 1.00 0.00 O ATOM 1265 CB GLU A 84 -12.912 -6.277 5.538 1.00 0.00 C ATOM 1266 CG GLU A 84 -13.975 -7.262 5.995 1.00 0.00 C ATOM 1267 CD GLU A 84 -13.503 -8.144 7.132 1.00 0.00 C ATOM 1268 OE1 GLU A 84 -12.719 -9.081 6.880 1.00 0.00 O ATOM 1269 OE2 GLU A 84 -13.911 -7.899 8.289 1.00 0.00 O ATOM 0 H GLU A 84 -13.397 -6.319 2.999 1.00 0.00 H new ATOM 0 HA GLU A 84 -14.283 -4.673 5.268 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -12.166 -6.811 4.949 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -12.401 -5.878 6.414 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -14.862 -6.713 6.311 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -14.271 -7.888 5.153 1.00 0.00 H new ATOM 1276 N THR A 85 -11.840 -3.456 5.516 1.00 0.00 N ATOM 1277 CA THR A 85 -10.797 -2.460 5.317 1.00 0.00 C ATOM 1278 C THR A 85 -9.864 -2.305 6.517 1.00 0.00 C ATOM 1279 O THR A 85 -10.294 -2.000 7.627 1.00 0.00 O ATOM 1280 CB THR A 85 -11.415 -1.087 4.977 1.00 0.00 C ATOM 1281 OG1 THR A 85 -12.156 -1.182 3.755 1.00 0.00 O ATOM 1282 CG2 THR A 85 -10.344 -0.016 4.839 1.00 0.00 C ATOM 0 H THR A 85 -12.118 -3.609 6.485 1.00 0.00 H new ATOM 0 HA THR A 85 -10.196 -2.824 4.484 1.00 0.00 H new ATOM 0 HB THR A 85 -12.078 -0.803 5.794 1.00 0.00 H new ATOM 0 HG1 THR A 85 -11.610 -1.629 3.075 1.00 0.00 H new ATOM 0 HG21 THR A 85 -10.813 0.938 4.599 1.00 0.00 H new ATOM 0 HG22 THR A 85 -9.796 0.074 5.777 1.00 0.00 H new ATOM 0 HG23 THR A 85 -9.654 -0.292 4.041 1.00 0.00 H new ATOM 1290 N GLN A 86 -8.581 -2.526 6.272 1.00 0.00 N ATOM 1291 CA GLN A 86 -7.554 -2.354 7.289 1.00 0.00 C ATOM 1292 C GLN A 86 -6.701 -1.158 6.884 1.00 0.00 C ATOM 1293 O GLN A 86 -5.759 -1.296 6.101 1.00 0.00 O ATOM 1294 CB GLN A 86 -6.684 -3.611 7.422 1.00 0.00 C ATOM 1295 CG GLN A 86 -5.608 -3.497 8.494 1.00 0.00 C ATOM 1296 CD GLN A 86 -6.115 -3.853 9.878 1.00 0.00 C ATOM 1297 OE1 GLN A 86 -7.309 -3.753 10.158 1.00 0.00 O ATOM 1298 NE2 GLN A 86 -5.213 -4.271 10.753 1.00 0.00 N ATOM 0 H GLN A 86 -8.223 -2.829 5.366 1.00 0.00 H new ATOM 0 HA GLN A 86 -8.020 -2.185 8.260 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -7.324 -4.463 7.651 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -6.209 -3.817 6.463 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -4.776 -4.152 8.238 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -5.220 -2.479 8.505 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -4.232 -4.340 10.481 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -5.499 -4.524 11.699 1.00 0.00 H new ATOM 1307 N GLY A 87 -7.054 0.016 7.383 1.00 0.00 N ATOM 1308 CA GLY A 87 -6.332 1.217 7.018 1.00 0.00 C ATOM 1309 C GLY A 87 -5.378 1.689 8.088 1.00 0.00 C ATOM 1310 O GLY A 87 -5.694 1.639 9.276 1.00 0.00 O ATOM 0 H GLY A 87 -7.827 0.159 8.033 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -5.774 1.032 6.100 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -7.047 2.011 6.803 1.00 0.00 H new ATOM 1314 N THR A 88 -4.208 2.143 7.663 1.00 0.00 N ATOM 1315 CA THR A 88 -3.195 2.646 8.577 1.00 0.00 C ATOM 1316 C THR A 88 -2.625 3.970 8.066 1.00 0.00 C ATOM 1317 O THR A 88 -2.101 4.043 6.952 1.00 0.00 O ATOM 1318 CB THR A 88 -2.053 1.628 8.752 1.00 0.00 C ATOM 1319 OG1 THR A 88 -2.592 0.300 8.812 1.00 0.00 O ATOM 1320 CG2 THR A 88 -1.264 1.913 10.019 1.00 0.00 C ATOM 0 H THR A 88 -3.936 2.173 6.680 1.00 0.00 H new ATOM 0 HA THR A 88 -3.671 2.807 9.544 1.00 0.00 H new ATOM 0 HB THR A 88 -1.382 1.714 7.897 1.00 0.00 H new ATOM 0 HG1 THR A 88 -1.900 -0.346 8.559 1.00 0.00 H new ATOM 0 HG21 THR A 88 -0.463 1.181 10.121 1.00 0.00 H new ATOM 0 HG22 THR A 88 -0.836 2.914 9.964 1.00 0.00 H new ATOM 0 HG23 THR A 88 -1.926 1.849 10.882 1.00 0.00 H new ATOM 1328 N VAL A 89 -2.756 5.016 8.874 1.00 0.00 N ATOM 1329 CA VAL A 89 -2.263 6.338 8.516 1.00 0.00 C ATOM 1330 C VAL A 89 -0.747 6.405 8.642 1.00 0.00 C ATOM 1331 O VAL A 89 -0.201 6.332 9.746 1.00 0.00 O ATOM 1332 CB VAL A 89 -2.883 7.438 9.406 1.00 0.00 C ATOM 1333 CG1 VAL A 89 -2.370 8.813 9.004 1.00 0.00 C ATOM 1334 CG2 VAL A 89 -4.400 7.395 9.336 1.00 0.00 C ATOM 0 H VAL A 89 -3.204 4.971 9.789 1.00 0.00 H new ATOM 0 HA VAL A 89 -2.555 6.512 7.481 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.581 7.248 10.436 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -2.821 9.571 9.645 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.286 8.843 9.113 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.636 9.011 7.966 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -4.816 8.178 9.970 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -4.721 7.553 8.306 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -4.753 6.423 9.681 1.00 0.00 H new ATOM 1344 N ILE A 90 -0.069 6.532 7.513 1.00 0.00 N ATOM 1345 CA ILE A 90 1.377 6.625 7.508 1.00 0.00 C ATOM 1346 C ILE A 90 1.798 8.069 7.263 1.00 0.00 C ATOM 1347 O ILE A 90 1.125 8.813 6.541 1.00 0.00 O ATOM 1348 CB ILE A 90 2.012 5.683 6.453 1.00 0.00 C ATOM 1349 CG1 ILE A 90 3.432 5.298 6.870 1.00 0.00 C ATOM 1350 CG2 ILE A 90 2.022 6.317 5.067 1.00 0.00 C ATOM 1351 CD1 ILE A 90 3.495 4.510 8.162 1.00 0.00 C ATOM 0 H ILE A 90 -0.499 6.573 6.589 1.00 0.00 H new ATOM 0 HA ILE A 90 1.741 6.304 8.484 1.00 0.00 H new ATOM 0 HB ILE A 90 1.399 4.783 6.402 1.00 0.00 H new ATOM 0 HG12 ILE A 90 3.888 4.710 6.074 1.00 0.00 H new ATOM 0 HG13 ILE A 90 4.028 6.204 6.978 1.00 0.00 H new ATOM 0 HG21 ILE A 90 2.474 5.627 4.355 1.00 0.00 H new ATOM 0 HG22 ILE A 90 0.999 6.537 4.760 1.00 0.00 H new ATOM 0 HG23 ILE A 90 2.599 7.241 5.094 1.00 0.00 H new ATOM 0 HD11 ILE A 90 4.533 4.273 8.393 1.00 0.00 H new ATOM 0 HD12 ILE A 90 3.069 5.103 8.971 1.00 0.00 H new ATOM 0 HD13 ILE A 90 2.928 3.586 8.053 1.00 0.00 H new ATOM 1363 N TYR A 91 2.887 8.478 7.886 1.00 0.00 N ATOM 1364 CA TYR A 91 3.378 9.836 7.731 1.00 0.00 C ATOM 1365 C TYR A 91 4.534 9.882 6.747 1.00 0.00 C ATOM 1366 O TYR A 91 5.130 8.857 6.424 1.00 0.00 O ATOM 1367 CB TYR A 91 3.840 10.404 9.076 1.00 0.00 C ATOM 1368 CG TYR A 91 2.749 10.504 10.119 1.00 0.00 C ATOM 1369 CD1 TYR A 91 2.315 9.380 10.807 1.00 0.00 C ATOM 1370 CD2 TYR A 91 2.165 11.726 10.426 1.00 0.00 C ATOM 1371 CE1 TYR A 91 1.331 9.469 11.767 1.00 0.00 C ATOM 1372 CE2 TYR A 91 1.177 11.823 11.386 1.00 0.00 C ATOM 1373 CZ TYR A 91 0.766 10.692 12.054 1.00 0.00 C ATOM 1374 OH TYR A 91 -0.212 10.782 13.015 1.00 0.00 O ATOM 0 H TYR A 91 3.448 7.891 8.503 1.00 0.00 H new ATOM 0 HA TYR A 91 2.556 10.441 7.349 1.00 0.00 H new ATOM 0 HB2 TYR A 91 4.642 9.777 9.465 1.00 0.00 H new ATOM 0 HB3 TYR A 91 4.262 11.396 8.912 1.00 0.00 H new ATOM 0 HD1 TYR A 91 2.756 8.419 10.586 1.00 0.00 H new ATOM 0 HD2 TYR A 91 2.489 12.615 9.905 1.00 0.00 H new ATOM 0 HE1 TYR A 91 1.004 8.584 12.292 1.00 0.00 H new ATOM 0 HE2 TYR A 91 0.730 12.780 11.611 1.00 0.00 H new ATOM 0 HH TYR A 91 -0.505 11.714 13.097 1.00 0.00 H new ATOM 1384 N ASN A 92 4.832 11.077 6.272 1.00 0.00 N ATOM 1385 CA ASN A 92 5.934 11.296 5.351 1.00 0.00 C ATOM 1386 C ASN A 92 7.033 12.039 6.098 1.00 0.00 C ATOM 1387 O ASN A 92 6.867 13.209 6.440 1.00 0.00 O ATOM 1388 CB ASN A 92 5.463 12.105 4.131 1.00 0.00 C ATOM 1389 CG ASN A 92 6.550 12.326 3.086 1.00 0.00 C ATOM 1390 OD1 ASN A 92 7.740 12.359 3.393 1.00 0.00 O ATOM 1391 ND2 ASN A 92 6.138 12.505 1.841 1.00 0.00 N ATOM 0 H ASN A 92 4.317 11.924 6.513 1.00 0.00 H new ATOM 0 HA ASN A 92 6.313 10.342 4.985 1.00 0.00 H new ATOM 0 HB2 ASN A 92 4.624 11.588 3.666 1.00 0.00 H new ATOM 0 HB3 ASN A 92 5.094 13.073 4.469 1.00 0.00 H new ATOM 0 HD21 ASN A 92 6.816 12.677 1.099 1.00 0.00 H new ATOM 0 HD22 ASN A 92 5.142 12.471 1.623 1.00 0.00 H new ATOM 1398 N PRO A 93 8.157 11.361 6.381 1.00 0.00 N ATOM 1399 CA PRO A 93 9.292 11.943 7.114 1.00 0.00 C ATOM 1400 C PRO A 93 9.780 13.264 6.519 1.00 0.00 C ATOM 1401 O PRO A 93 10.186 14.171 7.245 1.00 0.00 O ATOM 1402 CB PRO A 93 10.389 10.873 7.008 1.00 0.00 C ATOM 1403 CG PRO A 93 9.914 9.912 5.971 1.00 0.00 C ATOM 1404 CD PRO A 93 8.416 9.967 6.010 1.00 0.00 C ATOM 0 HA PRO A 93 9.012 12.187 8.139 1.00 0.00 H new ATOM 0 HB2 PRO A 93 11.343 11.317 6.723 1.00 0.00 H new ATOM 0 HB3 PRO A 93 10.543 10.373 7.964 1.00 0.00 H new ATOM 0 HG2 PRO A 93 10.289 10.186 4.985 1.00 0.00 H new ATOM 0 HG3 PRO A 93 10.273 8.904 6.180 1.00 0.00 H new ATOM 0 HD2 PRO A 93 7.976 9.716 5.045 1.00 0.00 H new ATOM 0 HD3 PRO A 93 8.004 9.270 6.740 1.00 0.00 H new ATOM 1412 N ARG A 94 9.727 13.376 5.199 1.00 0.00 N ATOM 1413 CA ARG A 94 10.171 14.586 4.525 1.00 0.00 C ATOM 1414 C ARG A 94 9.139 15.707 4.671 1.00 0.00 C ATOM 1415 O ARG A 94 9.485 16.844 4.992 1.00 0.00 O ATOM 1416 CB ARG A 94 10.434 14.307 3.043 1.00 0.00 C ATOM 1417 CG ARG A 94 10.901 15.529 2.273 1.00 0.00 C ATOM 1418 CD ARG A 94 10.884 15.291 0.774 1.00 0.00 C ATOM 1419 NE ARG A 94 11.957 14.396 0.340 1.00 0.00 N ATOM 1420 CZ ARG A 94 12.682 14.588 -0.762 1.00 0.00 C ATOM 1421 NH1 ARG A 94 12.485 15.665 -1.514 1.00 0.00 N ATOM 1422 NH2 ARG A 94 13.614 13.710 -1.101 1.00 0.00 N ATOM 0 H ARG A 94 9.382 12.646 4.576 1.00 0.00 H new ATOM 0 HA ARG A 94 11.099 14.910 4.996 1.00 0.00 H new ATOM 0 HB2 ARG A 94 11.186 13.523 2.956 1.00 0.00 H new ATOM 0 HB3 ARG A 94 9.521 13.925 2.585 1.00 0.00 H new ATOM 0 HG2 ARG A 94 10.260 16.377 2.514 1.00 0.00 H new ATOM 0 HG3 ARG A 94 11.911 15.793 2.588 1.00 0.00 H new ATOM 0 HD2 ARG A 94 9.922 14.867 0.487 1.00 0.00 H new ATOM 0 HD3 ARG A 94 10.979 16.245 0.256 1.00 0.00 H new ATOM 0 HE ARG A 94 12.162 13.578 0.914 1.00 0.00 H new ATOM 0 HH11 ARG A 94 11.777 16.349 -1.249 1.00 0.00 H new ATOM 0 HH12 ARG A 94 13.042 15.808 -2.356 1.00 0.00 H new ATOM 0 HH21 ARG A 94 13.776 12.888 -0.519 1.00 0.00 H new ATOM 0 HH22 ARG A 94 14.169 13.856 -1.944 1.00 0.00 H new ATOM 1436 N ASN A 95 7.872 15.376 4.457 1.00 0.00 N ATOM 1437 CA ASN A 95 6.794 16.364 4.541 1.00 0.00 C ATOM 1438 C ASN A 95 6.461 16.722 5.986 1.00 0.00 C ATOM 1439 O ASN A 95 5.834 17.748 6.244 1.00 0.00 O ATOM 1440 CB ASN A 95 5.537 15.848 3.841 1.00 0.00 C ATOM 1441 CG ASN A 95 5.106 16.739 2.692 1.00 0.00 C ATOM 1442 OD1 ASN A 95 5.455 16.493 1.536 1.00 0.00 O ATOM 1443 ND2 ASN A 95 4.349 17.783 2.996 1.00 0.00 N ATOM 0 H ASN A 95 7.562 14.433 4.224 1.00 0.00 H new ATOM 0 HA ASN A 95 7.147 17.265 4.040 1.00 0.00 H new ATOM 0 HB2 ASN A 95 5.721 14.841 3.467 1.00 0.00 H new ATOM 0 HB3 ASN A 95 4.725 15.776 4.565 1.00 0.00 H new ATOM 0 HD21 ASN A 95 4.034 18.416 2.261 1.00 0.00 H new ATOM 0 HD22 ASN A 95 4.081 17.953 3.965 1.00 0.00 H new ATOM 1450 N LEU A 96 6.862 15.854 6.913 1.00 0.00 N ATOM 1451 CA LEU A 96 6.627 16.053 8.346 1.00 0.00 C ATOM 1452 C LEU A 96 5.139 15.952 8.680 1.00 0.00 C ATOM 1453 O LEU A 96 4.693 16.408 9.733 1.00 0.00 O ATOM 1454 CB LEU A 96 7.190 17.404 8.819 1.00 0.00 C ATOM 1455 CG LEU A 96 8.689 17.603 8.585 1.00 0.00 C ATOM 1456 CD1 LEU A 96 9.087 19.034 8.906 1.00 0.00 C ATOM 1457 CD2 LEU A 96 9.499 16.624 9.424 1.00 0.00 C ATOM 0 H LEU A 96 7.360 14.991 6.694 1.00 0.00 H new ATOM 0 HA LEU A 96 7.152 15.259 8.876 1.00 0.00 H new ATOM 0 HB2 LEU A 96 6.650 18.203 8.310 1.00 0.00 H new ATOM 0 HB3 LEU A 96 6.988 17.511 9.885 1.00 0.00 H new ATOM 0 HG LEU A 96 8.902 17.409 7.534 1.00 0.00 H new ATOM 0 HD11 LEU A 96 10.156 19.161 8.735 1.00 0.00 H new ATOM 0 HD12 LEU A 96 8.533 19.719 8.264 1.00 0.00 H new ATOM 0 HD13 LEU A 96 8.858 19.250 9.950 1.00 0.00 H new ATOM 0 HD21 LEU A 96 10.562 16.782 9.243 1.00 0.00 H new ATOM 0 HD22 LEU A 96 9.283 16.785 10.480 1.00 0.00 H new ATOM 0 HD23 LEU A 96 9.232 15.603 9.150 1.00 0.00 H new ATOM 1469 N GLN A 97 4.382 15.333 7.785 1.00 0.00 N ATOM 1470 CA GLN A 97 2.945 15.158 7.963 1.00 0.00 C ATOM 1471 C GLN A 97 2.509 13.857 7.296 1.00 0.00 C ATOM 1472 O GLN A 97 3.302 13.252 6.573 1.00 0.00 O ATOM 1473 CB GLN A 97 2.184 16.347 7.361 1.00 0.00 C ATOM 1474 CG GLN A 97 2.373 16.502 5.862 1.00 0.00 C ATOM 1475 CD GLN A 97 1.351 17.431 5.238 1.00 0.00 C ATOM 1476 OE1 GLN A 97 0.824 18.329 5.895 1.00 0.00 O ATOM 1477 NE2 GLN A 97 1.061 17.221 3.963 1.00 0.00 N ATOM 0 H GLN A 97 4.744 14.938 6.917 1.00 0.00 H new ATOM 0 HA GLN A 97 2.717 15.111 9.028 1.00 0.00 H new ATOM 0 HB2 GLN A 97 1.121 16.231 7.573 1.00 0.00 H new ATOM 0 HB3 GLN A 97 2.510 17.262 7.855 1.00 0.00 H new ATOM 0 HG2 GLN A 97 3.374 16.884 5.664 1.00 0.00 H new ATOM 0 HG3 GLN A 97 2.305 15.523 5.388 1.00 0.00 H new ATOM 0 HE21 GLN A 97 1.520 16.466 3.453 1.00 0.00 H new ATOM 0 HE22 GLN A 97 0.379 17.814 3.491 1.00 0.00 H new ATOM 1486 N PRO A 98 1.265 13.392 7.534 1.00 0.00 N ATOM 1487 CA PRO A 98 0.758 12.155 6.929 1.00 0.00 C ATOM 1488 C PRO A 98 0.794 12.198 5.405 1.00 0.00 C ATOM 1489 O PRO A 98 0.702 13.268 4.795 1.00 0.00 O ATOM 1490 CB PRO A 98 -0.689 12.059 7.432 1.00 0.00 C ATOM 1491 CG PRO A 98 -1.027 13.424 7.921 1.00 0.00 C ATOM 1492 CD PRO A 98 0.259 14.017 8.410 1.00 0.00 C ATOM 0 HA PRO A 98 1.368 11.295 7.205 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -1.363 11.749 6.633 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -0.780 11.322 8.230 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -1.457 14.029 7.123 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -1.766 13.380 8.721 1.00 0.00 H new ATOM 0 HD2 PRO A 98 0.263 15.103 8.319 1.00 0.00 H new ATOM 0 HD3 PRO A 98 0.437 13.785 9.460 1.00 0.00 H new ATOM 1500 N GLN A 99 0.935 11.036 4.795 1.00 0.00 N ATOM 1501 CA GLN A 99 0.994 10.947 3.349 1.00 0.00 C ATOM 1502 C GLN A 99 -0.261 10.276 2.801 1.00 0.00 C ATOM 1503 O GLN A 99 -1.239 10.950 2.476 1.00 0.00 O ATOM 1504 CB GLN A 99 2.251 10.185 2.920 1.00 0.00 C ATOM 1505 CG GLN A 99 2.633 10.378 1.458 1.00 0.00 C ATOM 1506 CD GLN A 99 2.520 11.819 0.996 1.00 0.00 C ATOM 1507 OE1 GLN A 99 3.417 12.630 1.228 1.00 0.00 O ATOM 1508 NE2 GLN A 99 1.422 12.145 0.329 1.00 0.00 N ATOM 0 H GLN A 99 1.011 10.141 5.279 1.00 0.00 H new ATOM 0 HA GLN A 99 1.043 11.955 2.937 1.00 0.00 H new ATOM 0 HB2 GLN A 99 3.085 10.502 3.546 1.00 0.00 H new ATOM 0 HB3 GLN A 99 2.098 9.122 3.106 1.00 0.00 H new ATOM 0 HG2 GLN A 99 3.657 10.034 1.308 1.00 0.00 H new ATOM 0 HG3 GLN A 99 1.993 9.753 0.836 1.00 0.00 H new ATOM 0 HE21 GLN A 99 0.702 11.443 0.158 1.00 0.00 H new ATOM 0 HE22 GLN A 99 1.297 13.098 -0.013 1.00 0.00 H new ATOM 1517 N CYS A 100 -0.242 8.954 2.721 1.00 0.00 N ATOM 1518 CA CYS A 100 -1.379 8.209 2.207 1.00 0.00 C ATOM 1519 C CYS A 100 -1.713 7.047 3.135 1.00 0.00 C ATOM 1520 O CYS A 100 -0.825 6.315 3.575 1.00 0.00 O ATOM 1521 CB CYS A 100 -1.089 7.692 0.796 1.00 0.00 C ATOM 1522 SG CYS A 100 0.128 8.665 -0.123 1.00 0.00 S ATOM 0 H CYS A 100 0.549 8.376 3.006 1.00 0.00 H new ATOM 0 HA CYS A 100 -2.237 8.879 2.161 1.00 0.00 H new ATOM 0 HB2 CYS A 100 -0.736 6.663 0.865 1.00 0.00 H new ATOM 0 HB3 CYS A 100 -2.021 7.672 0.231 1.00 0.00 H new ATOM 0 HG CYS A 100 1.285 8.075 -0.070 1.00 0.00 H new ATOM 1528 N ILE A 101 -2.991 6.887 3.431 1.00 0.00 N ATOM 1529 CA ILE A 101 -3.449 5.829 4.314 1.00 0.00 C ATOM 1530 C ILE A 101 -3.681 4.542 3.534 1.00 0.00 C ATOM 1531 O ILE A 101 -4.667 4.418 2.806 1.00 0.00 O ATOM 1532 CB ILE A 101 -4.760 6.232 5.023 1.00 0.00 C ATOM 1533 CG1 ILE A 101 -4.601 7.594 5.703 1.00 0.00 C ATOM 1534 CG2 ILE A 101 -5.169 5.172 6.033 1.00 0.00 C ATOM 1535 CD1 ILE A 101 -5.910 8.326 5.907 1.00 0.00 C ATOM 0 H ILE A 101 -3.736 7.482 3.069 1.00 0.00 H new ATOM 0 HA ILE A 101 -2.673 5.666 5.062 1.00 0.00 H new ATOM 0 HB ILE A 101 -5.548 6.311 4.274 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -4.118 7.454 6.670 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -3.937 8.215 5.102 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -6.095 5.474 6.522 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -5.322 4.222 5.521 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -4.384 5.059 6.780 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -5.720 9.283 6.394 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -6.385 8.498 4.941 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -6.569 7.725 6.533 1.00 0.00 H new ATOM 1547 N MET A 102 -2.769 3.590 3.670 1.00 0.00 N ATOM 1548 CA MET A 102 -2.906 2.317 2.978 1.00 0.00 C ATOM 1549 C MET A 102 -3.963 1.466 3.664 1.00 0.00 C ATOM 1550 O MET A 102 -3.792 1.034 4.804 1.00 0.00 O ATOM 1551 CB MET A 102 -1.568 1.563 2.903 1.00 0.00 C ATOM 1552 CG MET A 102 -0.816 1.468 4.223 1.00 0.00 C ATOM 1553 SD MET A 102 0.183 2.931 4.558 1.00 0.00 S ATOM 1554 CE MET A 102 1.272 2.300 5.834 1.00 0.00 C ATOM 0 H MET A 102 -1.933 3.674 4.248 1.00 0.00 H new ATOM 0 HA MET A 102 -3.220 2.521 1.954 1.00 0.00 H new ATOM 0 HB2 MET A 102 -1.755 0.555 2.534 1.00 0.00 H new ATOM 0 HB3 MET A 102 -0.929 2.057 2.171 1.00 0.00 H new ATOM 0 HG2 MET A 102 -1.530 1.326 5.034 1.00 0.00 H new ATOM 0 HG3 MET A 102 -0.172 0.589 4.208 1.00 0.00 H new ATOM 0 HE1 MET A 102 2.230 2.818 5.784 1.00 0.00 H new ATOM 0 HE2 MET A 102 0.821 2.466 6.812 1.00 0.00 H new ATOM 0 HE3 MET A 102 1.428 1.232 5.683 1.00 0.00 H new ATOM 1564 N CYS A 103 -5.073 1.266 2.975 1.00 0.00 N ATOM 1565 CA CYS A 103 -6.171 0.481 3.501 1.00 0.00 C ATOM 1566 C CYS A 103 -6.340 -0.795 2.690 1.00 0.00 C ATOM 1567 O CYS A 103 -6.574 -0.749 1.484 1.00 0.00 O ATOM 1568 CB CYS A 103 -7.460 1.302 3.466 1.00 0.00 C ATOM 1569 SG CYS A 103 -7.233 3.050 3.881 1.00 0.00 S ATOM 0 H CYS A 103 -5.236 1.642 2.041 1.00 0.00 H new ATOM 0 HA CYS A 103 -5.950 0.211 4.534 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -7.898 1.230 2.470 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -8.176 0.864 4.161 1.00 0.00 H new ATOM 0 HG CYS A 103 -6.140 3.489 3.330 1.00 0.00 H new ATOM 1575 N VAL A 104 -6.182 -1.931 3.344 1.00 0.00 N ATOM 1576 CA VAL A 104 -6.330 -3.211 2.673 1.00 0.00 C ATOM 1577 C VAL A 104 -7.804 -3.581 2.585 1.00 0.00 C ATOM 1578 O VAL A 104 -8.472 -3.735 3.606 1.00 0.00 O ATOM 1579 CB VAL A 104 -5.562 -4.332 3.401 1.00 0.00 C ATOM 1580 CG1 VAL A 104 -5.401 -5.542 2.497 1.00 0.00 C ATOM 1581 CG2 VAL A 104 -4.208 -3.833 3.877 1.00 0.00 C ATOM 0 H VAL A 104 -5.952 -1.995 4.336 1.00 0.00 H new ATOM 0 HA VAL A 104 -5.910 -3.109 1.673 1.00 0.00 H new ATOM 0 HB VAL A 104 -6.140 -4.632 4.275 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -4.857 -6.323 3.028 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -6.384 -5.916 2.211 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -4.847 -5.257 1.603 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -3.682 -4.639 4.388 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -3.620 -3.502 3.021 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -4.349 -2.999 4.564 1.00 0.00 H new ATOM 1591 N ASN A 105 -8.308 -3.702 1.368 1.00 0.00 N ATOM 1592 CA ASN A 105 -9.708 -4.040 1.150 1.00 0.00 C ATOM 1593 C ASN A 105 -9.878 -5.542 0.966 1.00 0.00 C ATOM 1594 O ASN A 105 -9.546 -6.090 -0.087 1.00 0.00 O ATOM 1595 CB ASN A 105 -10.254 -3.295 -0.070 1.00 0.00 C ATOM 1596 CG ASN A 105 -10.813 -1.929 0.278 1.00 0.00 C ATOM 1597 OD1 ASN A 105 -10.109 -0.921 0.225 1.00 0.00 O ATOM 1598 ND2 ASN A 105 -12.087 -1.889 0.632 1.00 0.00 N ATOM 0 H ASN A 105 -7.768 -3.571 0.513 1.00 0.00 H new ATOM 0 HA ASN A 105 -10.273 -3.733 2.031 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -9.458 -3.180 -0.806 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -11.036 -3.895 -0.536 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -12.521 -0.998 0.874 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -12.635 -2.749 0.663 1.00 0.00 H new ATOM 1605 N TYR A 106 -10.395 -6.199 1.996 1.00 0.00 N ATOM 1606 CA TYR A 106 -10.603 -7.643 1.964 1.00 0.00 C ATOM 1607 C TYR A 106 -11.972 -7.985 1.388 1.00 0.00 C ATOM 1608 O TYR A 106 -12.999 -7.646 1.975 1.00 0.00 O ATOM 1609 CB TYR A 106 -10.492 -8.234 3.374 1.00 0.00 C ATOM 1610 CG TYR A 106 -9.246 -7.825 4.122 1.00 0.00 C ATOM 1611 CD1 TYR A 106 -8.050 -8.506 3.942 1.00 0.00 C ATOM 1612 CD2 TYR A 106 -9.269 -6.763 5.016 1.00 0.00 C ATOM 1613 CE1 TYR A 106 -6.910 -8.139 4.629 1.00 0.00 C ATOM 1614 CE2 TYR A 106 -8.133 -6.387 5.706 1.00 0.00 C ATOM 1615 CZ TYR A 106 -6.956 -7.078 5.511 1.00 0.00 C ATOM 1616 OH TYR A 106 -5.821 -6.705 6.197 1.00 0.00 O ATOM 0 H TYR A 106 -10.680 -5.753 2.868 1.00 0.00 H new ATOM 0 HA TYR A 106 -9.830 -8.072 1.326 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -11.365 -7.931 3.952 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -10.519 -9.321 3.303 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -8.010 -9.337 3.253 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -10.190 -6.222 5.175 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -5.987 -8.679 4.477 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -8.167 -5.556 6.395 1.00 0.00 H new ATOM 0 HH TYR A 106 -5.030 -6.913 5.658 1.00 0.00 H new ATOM 1626 N VAL A 107 -11.990 -8.645 0.242 1.00 0.00 N ATOM 1627 CA VAL A 107 -13.242 -9.039 -0.381 1.00 0.00 C ATOM 1628 C VAL A 107 -13.648 -10.413 0.133 1.00 0.00 C ATOM 1629 O VAL A 107 -12.853 -11.352 0.100 1.00 0.00 O ATOM 1630 CB VAL A 107 -13.134 -9.080 -1.920 1.00 0.00 C ATOM 1631 CG1 VAL A 107 -14.510 -9.235 -2.547 1.00 0.00 C ATOM 1632 CG2 VAL A 107 -12.438 -7.834 -2.450 1.00 0.00 C ATOM 0 H VAL A 107 -11.154 -8.919 -0.275 1.00 0.00 H new ATOM 0 HA VAL A 107 -13.994 -8.295 -0.120 1.00 0.00 H new ATOM 0 HB VAL A 107 -12.531 -9.945 -2.195 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -14.414 -9.262 -3.632 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -14.966 -10.162 -2.200 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -15.138 -8.392 -2.259 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -12.374 -7.887 -3.537 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -13.007 -6.950 -2.163 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -11.434 -7.772 -2.030 1.00 0.00 H new ATOM 1642 N LEU A 108 -14.869 -10.529 0.630 1.00 0.00 N ATOM 1643 CA LEU A 108 -15.348 -11.802 1.154 1.00 0.00 C ATOM 1644 C LEU A 108 -16.591 -12.274 0.414 1.00 0.00 C ATOM 1645 O LEU A 108 -16.679 -13.437 0.014 1.00 0.00 O ATOM 1646 CB LEU A 108 -15.626 -11.688 2.654 1.00 0.00 C ATOM 1647 CG LEU A 108 -14.388 -11.800 3.546 1.00 0.00 C ATOM 1648 CD1 LEU A 108 -14.738 -11.465 4.987 1.00 0.00 C ATOM 1649 CD2 LEU A 108 -13.791 -13.197 3.448 1.00 0.00 C ATOM 0 H LEU A 108 -15.543 -9.765 0.682 1.00 0.00 H new ATOM 0 HA LEU A 108 -14.567 -12.546 0.997 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -16.111 -10.731 2.848 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -16.333 -12.467 2.938 1.00 0.00 H new ATOM 0 HG LEU A 108 -13.644 -11.082 3.201 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -13.846 -11.550 5.607 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -15.122 -10.446 5.041 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -15.498 -12.158 5.348 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -12.911 -13.262 4.088 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -14.529 -13.932 3.770 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -13.505 -13.399 2.416 1.00 0.00 H new ATOM 1661 N SER A 109 -17.538 -11.373 0.212 1.00 0.00 N ATOM 1662 CA SER A 109 -18.770 -11.714 -0.479 1.00 0.00 C ATOM 1663 C SER A 109 -18.692 -11.306 -1.946 1.00 0.00 C ATOM 1664 O SER A 109 -17.750 -10.630 -2.364 1.00 0.00 O ATOM 1665 CB SER A 109 -19.958 -11.032 0.198 1.00 0.00 C ATOM 1666 OG SER A 109 -19.883 -11.165 1.609 1.00 0.00 O ATOM 0 H SER A 109 -17.477 -10.401 0.516 1.00 0.00 H new ATOM 0 HA SER A 109 -18.908 -12.794 -0.429 1.00 0.00 H new ATOM 0 HB2 SER A 109 -19.978 -9.976 -0.071 1.00 0.00 H new ATOM 0 HB3 SER A 109 -20.888 -11.470 -0.163 1.00 0.00 H new ATOM 0 HG SER A 109 -20.653 -10.720 2.021 1.00 0.00 H new ATOM 1672 N GLU A 110 -19.673 -11.736 -2.722 1.00 0.00 N ATOM 1673 CA GLU A 110 -19.726 -11.414 -4.140 1.00 0.00 C ATOM 1674 C GLU A 110 -20.372 -10.051 -4.361 1.00 0.00 C ATOM 1675 O GLU A 110 -20.684 -9.337 -3.406 1.00 0.00 O ATOM 1676 CB GLU A 110 -20.496 -12.490 -4.913 1.00 0.00 C ATOM 1677 CG GLU A 110 -21.753 -12.981 -4.213 1.00 0.00 C ATOM 1678 CD GLU A 110 -21.484 -14.153 -3.291 1.00 0.00 C ATOM 1679 OE1 GLU A 110 -21.487 -15.307 -3.768 1.00 0.00 O ATOM 1680 OE2 GLU A 110 -21.261 -13.924 -2.085 1.00 0.00 O ATOM 0 H GLU A 110 -20.448 -12.312 -2.392 1.00 0.00 H new ATOM 0 HA GLU A 110 -18.703 -11.380 -4.514 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -20.770 -12.093 -5.891 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -19.835 -13.339 -5.087 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -22.188 -12.163 -3.638 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -22.491 -13.273 -4.960 1.00 0.00 H new ATOM 1687 N ILE A 111 -20.566 -9.697 -5.620 1.00 0.00 N ATOM 1688 CA ILE A 111 -21.168 -8.422 -5.969 1.00 0.00 C ATOM 1689 C ILE A 111 -22.685 -8.544 -6.030 1.00 0.00 C ATOM 1690 O ILE A 111 -23.222 -9.368 -6.774 1.00 0.00 O ATOM 1691 CB ILE A 111 -20.654 -7.903 -7.329 1.00 0.00 C ATOM 1692 CG1 ILE A 111 -19.133 -8.045 -7.416 1.00 0.00 C ATOM 1693 CG2 ILE A 111 -21.071 -6.452 -7.535 1.00 0.00 C ATOM 1694 CD1 ILE A 111 -18.581 -7.818 -8.806 1.00 0.00 C ATOM 0 H ILE A 111 -20.314 -10.277 -6.420 1.00 0.00 H new ATOM 0 HA ILE A 111 -20.884 -7.712 -5.192 1.00 0.00 H new ATOM 0 HB ILE A 111 -21.100 -8.505 -8.121 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -18.671 -7.335 -6.730 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -18.850 -9.043 -7.080 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -20.701 -6.100 -8.498 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -22.158 -6.380 -7.515 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -20.652 -5.837 -6.739 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -17.497 -7.935 -8.791 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -19.015 -8.545 -9.493 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -18.833 -6.810 -9.137 1.00 0.00 H new ATOM 1706 N GLU A 112 -23.368 -7.742 -5.235 1.00 0.00 N ATOM 1707 CA GLU A 112 -24.817 -7.748 -5.212 1.00 0.00 C ATOM 1708 C GLU A 112 -25.346 -6.812 -6.287 1.00 0.00 C ATOM 1709 O GLU A 112 -24.825 -5.681 -6.397 1.00 0.00 O ATOM 1710 CB GLU A 112 -25.344 -7.325 -3.839 1.00 0.00 C ATOM 1711 CG GLU A 112 -24.864 -8.210 -2.700 1.00 0.00 C ATOM 1712 CD GLU A 112 -25.824 -8.220 -1.528 1.00 0.00 C ATOM 1713 OE1 GLU A 112 -26.852 -8.930 -1.605 1.00 0.00 O ATOM 1714 OE2 GLU A 112 -25.559 -7.518 -0.528 1.00 0.00 O ATOM 1715 OXT GLU A 112 -26.268 -7.208 -7.026 1.00 0.00 O ATOM 0 H GLU A 112 -22.939 -7.075 -4.594 1.00 0.00 H new ATOM 0 HA GLU A 112 -25.165 -8.762 -5.409 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -25.037 -6.298 -3.643 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -26.434 -7.334 -3.860 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -24.732 -9.228 -3.066 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -23.887 -7.864 -2.362 1.00 0.00 H new TER 1722 GLU A 112 ATOM 1723 N CYS B 7 4.810 16.822 -10.275 1.00 1.33 N ATOM 1724 CA CYS B 7 5.074 16.968 -8.830 1.00 1.38 C ATOM 1725 C CYS B 7 4.483 15.792 -8.064 1.00 1.15 C ATOM 1726 O CYS B 7 3.265 15.672 -7.931 1.00 1.28 O ATOM 1727 CB CYS B 7 4.480 18.283 -8.323 1.00 1.79 C ATOM 1728 SG CYS B 7 3.694 19.273 -9.616 1.00 2.58 S ATOM 0 HA CYS B 7 6.152 16.981 -8.667 1.00 1.38 H new ATOM 0 HB2 CYS B 7 3.745 18.064 -7.548 1.00 1.79 H new ATOM 0 HB3 CYS B 7 5.270 18.872 -7.856 1.00 1.79 H new ATOM 0 HG CYS B 7 3.774 18.646 -10.752 1.00 2.58 H new ATOM 1736 N GLN B 8 5.350 14.910 -7.594 1.00 0.90 N ATOM 1737 CA GLN B 8 4.928 13.739 -6.844 1.00 0.76 C ATOM 1738 C GLN B 8 5.776 13.584 -5.586 1.00 0.65 C ATOM 1739 O GLN B 8 6.963 13.925 -5.585 1.00 0.64 O ATOM 1740 CB GLN B 8 5.041 12.484 -7.714 1.00 0.71 C ATOM 1741 CG GLN B 8 4.088 12.479 -8.898 1.00 0.89 C ATOM 1742 CD GLN B 8 2.664 12.124 -8.509 1.00 1.17 C ATOM 1743 OE1 GLN B 8 2.272 10.958 -8.549 1.00 1.79 O ATOM 1744 NE2 GLN B 8 1.881 13.122 -8.131 1.00 1.90 N ATOM 0 H GLN B 8 6.359 14.985 -7.721 1.00 0.90 H new ATOM 0 HA GLN B 8 3.886 13.870 -6.550 1.00 0.76 H new ATOM 0 HB2 GLN B 8 6.064 12.397 -8.081 1.00 0.71 H new ATOM 0 HB3 GLN B 8 4.847 11.606 -7.098 1.00 0.71 H new ATOM 0 HG2 GLN B 8 4.096 13.462 -9.369 1.00 0.89 H new ATOM 0 HG3 GLN B 8 4.444 11.766 -9.642 1.00 0.89 H new ATOM 0 HE21 GLN B 8 2.243 14.075 -8.111 1.00 1.90 H new ATOM 0 HE22 GLN B 8 0.915 12.938 -7.859 1.00 1.90 H new ATOM 1753 N PRO B 9 5.176 13.078 -4.498 1.00 0.64 N ATOM 1754 CA PRO B 9 5.878 12.875 -3.232 1.00 0.56 C ATOM 1755 C PRO B 9 6.945 11.793 -3.340 1.00 0.44 C ATOM 1756 O PRO B 9 6.835 10.875 -4.158 1.00 0.38 O ATOM 1757 CB PRO B 9 4.775 12.440 -2.255 1.00 0.61 C ATOM 1758 CG PRO B 9 3.488 12.746 -2.943 1.00 0.75 C ATOM 1759 CD PRO B 9 3.770 12.666 -4.414 1.00 0.77 C ATOM 0 HA PRO B 9 6.403 13.776 -2.915 1.00 0.56 H new ATOM 0 HB2 PRO B 9 4.853 11.378 -2.023 1.00 0.61 H new ATOM 0 HB3 PRO B 9 4.853 12.979 -1.311 1.00 0.61 H new ATOM 0 HG2 PRO B 9 2.714 12.034 -2.656 1.00 0.75 H new ATOM 0 HG3 PRO B 9 3.126 13.737 -2.669 1.00 0.75 H new ATOM 0 HD2 PRO B 9 3.620 11.658 -4.800 1.00 0.77 H new ATOM 0 HD3 PRO B 9 3.120 13.327 -4.987 1.00 0.77 H new ATOM 1767 N THR B 10 7.969 11.901 -2.510 1.00 0.43 N ATOM 1768 CA THR B 10 9.062 10.943 -2.497 1.00 0.37 C ATOM 1769 C THR B 10 8.671 9.698 -1.699 1.00 0.31 C ATOM 1770 O THR B 10 9.248 9.395 -0.651 1.00 0.39 O ATOM 1771 CB THR B 10 10.321 11.585 -1.894 1.00 0.46 C ATOM 1772 OG1 THR B 10 10.158 13.014 -1.867 1.00 0.88 O ATOM 1773 CG2 THR B 10 11.556 11.228 -2.708 1.00 0.62 C ATOM 0 H THR B 10 8.066 12.653 -1.828 1.00 0.43 H new ATOM 0 HA THR B 10 9.275 10.645 -3.523 1.00 0.37 H new ATOM 0 HB THR B 10 10.456 11.205 -0.881 1.00 0.46 H new ATOM 0 HG1 THR B 10 10.865 13.434 -2.400 1.00 0.88 H new ATOM 0 HG21 THR B 10 12.434 11.694 -2.261 1.00 0.62 H new ATOM 0 HG22 THR B 10 11.685 10.146 -2.717 1.00 0.62 H new ATOM 0 HG23 THR B 10 11.435 11.588 -3.730 1.00 0.62 H new ATOM 1781 N GLU B 11 7.673 8.997 -2.212 1.00 0.30 N ATOM 1782 CA GLU B 11 7.150 7.796 -1.591 1.00 0.31 C ATOM 1783 C GLU B 11 6.545 6.903 -2.666 1.00 0.27 C ATOM 1784 O GLU B 11 5.963 7.402 -3.627 1.00 0.31 O ATOM 1785 CB GLU B 11 6.084 8.171 -0.553 1.00 0.45 C ATOM 1786 CG GLU B 11 5.395 6.979 0.092 1.00 1.13 C ATOM 1787 CD GLU B 11 3.928 7.234 0.371 1.00 1.36 C ATOM 1788 OE1 GLU B 11 3.174 7.507 -0.587 1.00 1.65 O ATOM 1789 OE2 GLU B 11 3.509 7.134 1.540 1.00 1.83 O ATOM 0 H GLU B 11 7.200 9.250 -3.080 1.00 0.30 H new ATOM 0 HA GLU B 11 7.955 7.261 -1.087 1.00 0.31 H new ATOM 0 HB2 GLU B 11 6.549 8.773 0.227 1.00 0.45 H new ATOM 0 HB3 GLU B 11 5.331 8.796 -1.032 1.00 0.45 H new ATOM 0 HG2 GLU B 11 5.491 6.112 -0.561 1.00 1.13 H new ATOM 0 HG3 GLU B 11 5.901 6.733 1.026 1.00 1.13 H new ATOM 1796 N PHE B 12 6.705 5.593 -2.525 1.00 0.30 N ATOM 1797 CA PHE B 12 6.146 4.661 -3.490 1.00 0.30 C ATOM 1798 C PHE B 12 5.958 3.274 -2.876 1.00 0.27 C ATOM 1799 O PHE B 12 6.801 2.791 -2.117 1.00 0.33 O ATOM 1800 CB PHE B 12 7.023 4.588 -4.751 1.00 0.35 C ATOM 1801 CG PHE B 12 8.322 3.843 -4.590 1.00 0.34 C ATOM 1802 CD1 PHE B 12 9.406 4.430 -3.957 1.00 0.39 C ATOM 1803 CD2 PHE B 12 8.460 2.559 -5.091 1.00 0.42 C ATOM 1804 CE1 PHE B 12 10.601 3.747 -3.823 1.00 0.42 C ATOM 1805 CE2 PHE B 12 9.652 1.873 -4.962 1.00 0.45 C ATOM 1806 CZ PHE B 12 10.724 2.467 -4.327 1.00 0.40 C ATOM 0 H PHE B 12 7.214 5.156 -1.756 1.00 0.30 H new ATOM 0 HA PHE B 12 5.163 5.032 -3.780 1.00 0.30 H new ATOM 0 HB2 PHE B 12 6.448 4.114 -5.546 1.00 0.35 H new ATOM 0 HB3 PHE B 12 7.244 5.604 -5.079 1.00 0.35 H new ATOM 0 HD1 PHE B 12 9.317 5.432 -3.564 1.00 0.39 H new ATOM 0 HD2 PHE B 12 7.625 2.088 -5.589 1.00 0.42 H new ATOM 0 HE1 PHE B 12 11.437 4.214 -3.325 1.00 0.42 H new ATOM 0 HE2 PHE B 12 9.745 0.872 -5.358 1.00 0.45 H new ATOM 0 HZ PHE B 12 11.657 1.932 -4.225 1.00 0.40 H new ATOM 1816 N ILE B 13 4.834 2.648 -3.191 1.00 0.27 N ATOM 1817 CA ILE B 13 4.531 1.318 -2.691 1.00 0.27 C ATOM 1818 C ILE B 13 5.345 0.271 -3.444 1.00 0.29 C ATOM 1819 O ILE B 13 5.314 0.205 -4.673 1.00 0.35 O ATOM 1820 CB ILE B 13 3.025 0.997 -2.818 1.00 0.36 C ATOM 1821 CG1 ILE B 13 2.211 1.932 -1.922 1.00 0.98 C ATOM 1822 CG2 ILE B 13 2.742 -0.462 -2.471 1.00 0.85 C ATOM 1823 CD1 ILE B 13 2.527 1.796 -0.446 1.00 1.40 C ATOM 0 H ILE B 13 4.113 3.044 -3.795 1.00 0.27 H new ATOM 0 HA ILE B 13 4.798 1.294 -1.634 1.00 0.27 H new ATOM 0 HB ILE B 13 2.727 1.156 -3.855 1.00 0.36 H new ATOM 0 HG12 ILE B 13 2.392 2.962 -2.229 1.00 0.98 H new ATOM 0 HG13 ILE B 13 1.150 1.735 -2.076 1.00 0.98 H new ATOM 0 HG21 ILE B 13 1.674 -0.659 -2.569 1.00 0.85 H new ATOM 0 HG22 ILE B 13 3.295 -1.111 -3.150 1.00 0.85 H new ATOM 0 HG23 ILE B 13 3.055 -0.659 -1.446 1.00 0.85 H new ATOM 0 HD11 ILE B 13 1.910 2.491 0.124 1.00 1.40 H new ATOM 0 HD12 ILE B 13 2.319 0.776 -0.122 1.00 1.40 H new ATOM 0 HD13 ILE B 13 3.580 2.023 -0.277 1.00 1.40 H new ATOM 1835 N SER B 14 6.088 -0.526 -2.701 1.00 0.34 N ATOM 1836 CA SER B 14 6.907 -1.569 -3.282 1.00 0.42 C ATOM 1837 C SER B 14 6.261 -2.939 -3.063 1.00 0.35 C ATOM 1838 O SER B 14 6.554 -3.628 -2.081 1.00 0.40 O ATOM 1839 CB SER B 14 8.301 -1.520 -2.661 1.00 0.54 C ATOM 1840 OG SER B 14 8.755 -0.179 -2.547 1.00 1.47 O ATOM 0 H SER B 14 6.140 -0.469 -1.684 1.00 0.34 H new ATOM 0 HA SER B 14 6.992 -1.408 -4.357 1.00 0.42 H new ATOM 0 HB2 SER B 14 8.282 -1.987 -1.676 1.00 0.54 H new ATOM 0 HB3 SER B 14 8.997 -2.094 -3.273 1.00 0.54 H new ATOM 0 HG SER B 14 8.964 0.172 -3.438 1.00 1.47 H new ATOM 1846 N ARG B 15 5.370 -3.317 -3.973 1.00 0.31 N ATOM 1847 CA ARG B 15 4.676 -4.597 -3.882 1.00 0.31 C ATOM 1848 C ARG B 15 5.593 -5.744 -4.293 1.00 0.27 C ATOM 1849 O ARG B 15 5.816 -5.981 -5.481 1.00 0.29 O ATOM 1850 CB ARG B 15 3.424 -4.601 -4.764 1.00 0.42 C ATOM 1851 CG ARG B 15 2.168 -4.121 -4.058 1.00 0.54 C ATOM 1852 CD ARG B 15 0.947 -4.231 -4.961 1.00 0.90 C ATOM 1853 NE ARG B 15 0.853 -5.543 -5.610 1.00 1.40 N ATOM 1854 CZ ARG B 15 0.070 -5.800 -6.659 1.00 1.85 C ATOM 1855 NH1 ARG B 15 -0.764 -4.877 -7.115 1.00 2.03 N ATOM 1856 NH2 ARG B 15 0.094 -6.998 -7.225 1.00 2.69 N ATOM 0 H ARG B 15 5.111 -2.754 -4.783 1.00 0.31 H new ATOM 0 HA ARG B 15 4.379 -4.737 -2.843 1.00 0.31 H new ATOM 0 HB2 ARG B 15 3.603 -3.969 -5.634 1.00 0.42 H new ATOM 0 HB3 ARG B 15 3.256 -5.612 -5.134 1.00 0.42 H new ATOM 0 HG2 ARG B 15 2.009 -4.710 -3.155 1.00 0.54 H new ATOM 0 HG3 ARG B 15 2.298 -3.085 -3.744 1.00 0.54 H new ATOM 0 HD2 ARG B 15 0.046 -4.053 -4.374 1.00 0.90 H new ATOM 0 HD3 ARG B 15 0.990 -3.453 -5.723 1.00 0.90 H new ATOM 0 HE ARG B 15 1.420 -6.304 -5.237 1.00 1.40 H new ATOM 0 HH11 ARG B 15 -0.810 -3.963 -6.664 1.00 2.03 H new ATOM 0 HH12 ARG B 15 -1.360 -5.080 -7.918 1.00 2.03 H new ATOM 0 HH21 ARG B 15 0.711 -7.723 -6.859 1.00 2.69 H new ATOM 0 HH22 ARG B 15 -0.504 -7.195 -8.027 1.00 2.69 H new ATOM 1870 N HIS B 16 6.130 -6.442 -3.306 1.00 0.28 N ATOM 1871 CA HIS B 16 7.017 -7.571 -3.562 1.00 0.28 C ATOM 1872 C HIS B 16 6.662 -8.731 -2.644 1.00 0.32 C ATOM 1873 O HIS B 16 6.099 -8.519 -1.571 1.00 0.40 O ATOM 1874 CB HIS B 16 8.490 -7.172 -3.374 1.00 0.32 C ATOM 1875 CG HIS B 16 8.871 -6.808 -1.969 1.00 0.36 C ATOM 1876 ND1 HIS B 16 9.061 -7.739 -0.971 1.00 0.54 N ATOM 1877 CD2 HIS B 16 9.107 -5.604 -1.402 1.00 0.75 C ATOM 1878 CE1 HIS B 16 9.398 -7.126 0.144 1.00 0.46 C ATOM 1879 NE2 HIS B 16 9.433 -5.828 -0.087 1.00 0.61 N ATOM 0 H HIS B 16 5.968 -6.248 -2.318 1.00 0.28 H new ATOM 0 HA HIS B 16 6.883 -7.883 -4.598 1.00 0.28 H new ATOM 0 HB2 HIS B 16 9.120 -7.998 -3.703 1.00 0.32 H new ATOM 0 HB3 HIS B 16 8.708 -6.325 -4.025 1.00 0.32 H new ATOM 0 HD1 HIS B 16 8.957 -8.748 -1.080 1.00 0.54 H new ATOM 0 HD2 HIS B 16 9.050 -4.643 -1.892 1.00 0.75 H new ATOM 0 HE1 HIS B 16 9.610 -7.605 1.088 1.00 0.46 H new ATOM 1888 N ASN B 17 6.999 -9.946 -3.058 1.00 0.31 N ATOM 1889 CA ASN B 17 6.706 -11.133 -2.258 1.00 0.39 C ATOM 1890 C ASN B 17 7.609 -11.193 -1.023 1.00 0.35 C ATOM 1891 O ASN B 17 8.491 -10.346 -0.849 1.00 0.32 O ATOM 1892 CB ASN B 17 6.849 -12.410 -3.103 1.00 0.49 C ATOM 1893 CG ASN B 17 8.289 -12.859 -3.307 1.00 0.95 C ATOM 1894 OD1 ASN B 17 9.222 -12.057 -3.280 1.00 2.04 O ATOM 1895 ND2 ASN B 17 8.478 -14.153 -3.511 1.00 0.59 N ATOM 0 H ASN B 17 7.474 -10.137 -3.940 1.00 0.31 H new ATOM 0 HA ASN B 17 5.672 -11.066 -1.918 1.00 0.39 H new ATOM 0 HB2 ASN B 17 6.293 -13.215 -2.623 1.00 0.49 H new ATOM 0 HB3 ASN B 17 6.390 -12.242 -4.077 1.00 0.49 H new ATOM 0 HD21 ASN B 17 9.421 -14.515 -3.652 1.00 0.59 H new ATOM 0 HD22 ASN B 17 7.680 -14.789 -3.527 1.00 0.59 H new ATOM 1902 N ILE B 18 7.388 -12.196 -0.178 1.00 0.40 N ATOM 1903 CA ILE B 18 8.163 -12.371 1.053 1.00 0.45 C ATOM 1904 C ILE B 18 9.665 -12.497 0.790 1.00 0.44 C ATOM 1905 O ILE B 18 10.479 -12.110 1.630 1.00 0.52 O ATOM 1906 CB ILE B 18 7.692 -13.609 1.847 1.00 0.53 C ATOM 1907 CG1 ILE B 18 7.563 -14.827 0.923 1.00 0.59 C ATOM 1908 CG2 ILE B 18 6.372 -13.315 2.543 1.00 0.57 C ATOM 1909 CD1 ILE B 18 7.225 -16.111 1.649 1.00 0.70 C ATOM 0 H ILE B 18 6.672 -12.908 -0.323 1.00 0.40 H new ATOM 0 HA ILE B 18 7.989 -11.469 1.640 1.00 0.45 H new ATOM 0 HB ILE B 18 8.438 -13.841 2.607 1.00 0.53 H new ATOM 0 HG12 ILE B 18 6.792 -14.627 0.179 1.00 0.59 H new ATOM 0 HG13 ILE B 18 8.500 -14.962 0.382 1.00 0.59 H new ATOM 0 HG21 ILE B 18 6.050 -14.195 3.099 1.00 0.57 H new ATOM 0 HG22 ILE B 18 6.501 -12.479 3.230 1.00 0.57 H new ATOM 0 HG23 ILE B 18 5.617 -13.060 1.799 1.00 0.57 H new ATOM 0 HD11 ILE B 18 7.150 -16.927 0.930 1.00 0.70 H new ATOM 0 HD12 ILE B 18 8.008 -16.336 2.373 1.00 0.70 H new ATOM 0 HD13 ILE B 18 6.273 -15.996 2.167 1.00 0.70 H new ATOM 1921 N GLU B 19 10.030 -13.030 -0.370 1.00 0.41 N ATOM 1922 CA GLU B 19 11.436 -13.204 -0.718 1.00 0.45 C ATOM 1923 C GLU B 19 12.086 -11.868 -1.061 1.00 0.41 C ATOM 1924 O GLU B 19 13.248 -11.627 -0.733 1.00 0.51 O ATOM 1925 CB GLU B 19 11.578 -14.170 -1.892 1.00 0.50 C ATOM 1926 CG GLU B 19 10.936 -15.520 -1.639 1.00 0.65 C ATOM 1927 CD GLU B 19 11.188 -16.498 -2.762 1.00 1.21 C ATOM 1928 OE1 GLU B 19 10.490 -16.416 -3.794 1.00 1.92 O ATOM 1929 OE2 GLU B 19 12.082 -17.357 -2.615 1.00 1.28 O ATOM 0 H GLU B 19 9.375 -13.348 -1.084 1.00 0.41 H new ATOM 0 HA GLU B 19 11.947 -13.621 0.150 1.00 0.45 H new ATOM 0 HB2 GLU B 19 11.129 -13.722 -2.778 1.00 0.50 H new ATOM 0 HB3 GLU B 19 12.636 -14.314 -2.109 1.00 0.50 H new ATOM 0 HG2 GLU B 19 11.322 -15.934 -0.707 1.00 0.65 H new ATOM 0 HG3 GLU B 19 9.862 -15.390 -1.509 1.00 0.65 H new ATOM 1936 N GLY B 20 11.332 -11.004 -1.721 1.00 0.33 N ATOM 1937 CA GLY B 20 11.852 -9.706 -2.095 1.00 0.32 C ATOM 1938 C GLY B 20 11.593 -9.380 -3.549 1.00 0.29 C ATOM 1939 O GLY B 20 11.768 -8.239 -3.969 1.00 0.34 O ATOM 0 H GLY B 20 10.368 -11.178 -2.005 1.00 0.33 H new ATOM 0 HA2 GLY B 20 11.397 -8.940 -1.467 1.00 0.32 H new ATOM 0 HA3 GLY B 20 12.925 -9.678 -1.904 1.00 0.32 H new ATOM 1943 N ILE B 21 11.166 -10.385 -4.303 1.00 0.27 N ATOM 1944 CA ILE B 21 10.873 -10.222 -5.720 1.00 0.28 C ATOM 1945 C ILE B 21 9.642 -9.345 -5.907 1.00 0.27 C ATOM 1946 O ILE B 21 8.562 -9.665 -5.407 1.00 0.31 O ATOM 1947 CB ILE B 21 10.632 -11.586 -6.406 1.00 0.32 C ATOM 1948 CG1 ILE B 21 11.846 -12.503 -6.218 1.00 0.37 C ATOM 1949 CG2 ILE B 21 10.324 -11.399 -7.887 1.00 0.41 C ATOM 1950 CD1 ILE B 21 13.110 -11.984 -6.873 1.00 0.47 C ATOM 0 H ILE B 21 11.014 -11.330 -3.952 1.00 0.27 H new ATOM 0 HA ILE B 21 11.739 -9.747 -6.181 1.00 0.28 H new ATOM 0 HB ILE B 21 9.768 -12.057 -5.937 1.00 0.32 H new ATOM 0 HG12 ILE B 21 12.028 -12.635 -5.152 1.00 0.37 H new ATOM 0 HG13 ILE B 21 11.614 -13.487 -6.626 1.00 0.37 H new ATOM 0 HG21 ILE B 21 10.158 -12.372 -8.350 1.00 0.41 H new ATOM 0 HG22 ILE B 21 9.429 -10.787 -7.998 1.00 0.41 H new ATOM 0 HG23 ILE B 21 11.165 -10.904 -8.374 1.00 0.41 H new ATOM 0 HD11 ILE B 21 13.925 -12.686 -6.697 1.00 0.47 H new ATOM 0 HD12 ILE B 21 12.947 -11.878 -7.946 1.00 0.47 H new ATOM 0 HD13 ILE B 21 13.368 -11.014 -6.448 1.00 0.47 H new ATOM 1962 N PHE B 22 9.816 -8.237 -6.608 1.00 0.25 N ATOM 1963 CA PHE B 22 8.724 -7.303 -6.852 1.00 0.27 C ATOM 1964 C PHE B 22 7.743 -7.829 -7.891 1.00 0.28 C ATOM 1965 O PHE B 22 8.133 -8.447 -8.886 1.00 0.35 O ATOM 1966 CB PHE B 22 9.268 -5.952 -7.317 1.00 0.31 C ATOM 1967 CG PHE B 22 10.045 -5.210 -6.266 1.00 0.33 C ATOM 1968 CD1 PHE B 22 11.370 -5.525 -6.005 1.00 0.38 C ATOM 1969 CD2 PHE B 22 9.449 -4.190 -5.543 1.00 0.36 C ATOM 1970 CE1 PHE B 22 12.082 -4.837 -5.043 1.00 0.45 C ATOM 1971 CE2 PHE B 22 10.158 -3.501 -4.580 1.00 0.44 C ATOM 1972 CZ PHE B 22 11.475 -3.823 -4.330 1.00 0.46 C ATOM 0 H PHE B 22 10.707 -7.960 -7.021 1.00 0.25 H new ATOM 0 HA PHE B 22 8.193 -7.185 -5.908 1.00 0.27 H new ATOM 0 HB2 PHE B 22 9.909 -6.109 -8.184 1.00 0.31 H new ATOM 0 HB3 PHE B 22 8.435 -5.330 -7.645 1.00 0.31 H new ATOM 0 HD1 PHE B 22 11.850 -6.317 -6.560 1.00 0.38 H new ATOM 0 HD2 PHE B 22 8.418 -3.931 -5.735 1.00 0.36 H new ATOM 0 HE1 PHE B 22 13.113 -5.092 -4.848 1.00 0.45 H new ATOM 0 HE2 PHE B 22 9.681 -2.709 -4.022 1.00 0.44 H new ATOM 0 HZ PHE B 22 12.031 -3.283 -3.578 1.00 0.46 H new ATOM 1982 N THR B 23 6.466 -7.584 -7.637 1.00 0.27 N ATOM 1983 CA THR B 23 5.406 -7.984 -8.542 1.00 0.30 C ATOM 1984 C THR B 23 4.806 -6.749 -9.203 1.00 0.27 C ATOM 1985 O THR B 23 4.455 -6.760 -10.382 1.00 0.33 O ATOM 1986 CB THR B 23 4.293 -8.749 -7.802 1.00 0.42 C ATOM 1987 OG1 THR B 23 4.705 -9.049 -6.458 1.00 1.35 O ATOM 1988 CG2 THR B 23 3.938 -10.034 -8.536 1.00 1.14 C ATOM 0 H THR B 23 6.139 -7.103 -6.799 1.00 0.27 H new ATOM 0 HA THR B 23 5.838 -8.645 -9.294 1.00 0.30 H new ATOM 0 HB THR B 23 3.407 -8.114 -7.770 1.00 0.42 H new ATOM 0 HG1 THR B 23 3.989 -9.534 -5.997 1.00 1.35 H new ATOM 0 HG21 THR B 23 3.150 -10.557 -7.994 1.00 1.14 H new ATOM 0 HG22 THR B 23 3.590 -9.795 -9.541 1.00 1.14 H new ATOM 0 HG23 THR B 23 4.819 -10.672 -8.599 1.00 1.14 H new ATOM 1996 N PHE B 24 4.711 -5.676 -8.427 1.00 0.25 N ATOM 1997 CA PHE B 24 4.160 -4.417 -8.902 1.00 0.28 C ATOM 1998 C PHE B 24 4.862 -3.262 -8.201 1.00 0.26 C ATOM 1999 O PHE B 24 5.217 -3.363 -7.026 1.00 0.27 O ATOM 2000 CB PHE B 24 2.650 -4.366 -8.638 1.00 0.36 C ATOM 2001 CG PHE B 24 1.952 -3.200 -9.281 1.00 0.46 C ATOM 2002 CD1 PHE B 24 1.697 -3.193 -10.642 1.00 0.59 C ATOM 2003 CD2 PHE B 24 1.545 -2.114 -8.522 1.00 0.51 C ATOM 2004 CE1 PHE B 24 1.052 -2.124 -11.235 1.00 0.71 C ATOM 2005 CE2 PHE B 24 0.901 -1.042 -9.108 1.00 0.61 C ATOM 2006 CZ PHE B 24 0.653 -1.047 -10.466 1.00 0.70 C ATOM 0 H PHE B 24 5.014 -5.656 -7.453 1.00 0.25 H new ATOM 0 HA PHE B 24 4.322 -4.334 -9.977 1.00 0.28 H new ATOM 0 HB2 PHE B 24 2.198 -5.290 -8.999 1.00 0.36 H new ATOM 0 HB3 PHE B 24 2.482 -4.328 -7.562 1.00 0.36 H new ATOM 0 HD1 PHE B 24 2.006 -4.033 -11.247 1.00 0.59 H new ATOM 0 HD2 PHE B 24 1.734 -2.106 -7.459 1.00 0.51 H new ATOM 0 HE1 PHE B 24 0.860 -2.130 -12.298 1.00 0.71 H new ATOM 0 HE2 PHE B 24 0.592 -0.201 -8.505 1.00 0.61 H new ATOM 0 HZ PHE B 24 0.148 -0.211 -10.927 1.00 0.70 H new ATOM 2016 N VAL B 25 5.082 -2.179 -8.925 1.00 0.26 N ATOM 2017 CA VAL B 25 5.746 -1.015 -8.362 1.00 0.27 C ATOM 2018 C VAL B 25 4.869 0.224 -8.518 1.00 0.26 C ATOM 2019 O VAL B 25 4.162 0.371 -9.520 1.00 0.25 O ATOM 2020 CB VAL B 25 7.122 -0.764 -9.027 1.00 0.34 C ATOM 2021 CG1 VAL B 25 7.922 0.265 -8.245 1.00 0.74 C ATOM 2022 CG2 VAL B 25 7.911 -2.059 -9.154 1.00 0.78 C ATOM 0 H VAL B 25 4.811 -2.080 -9.903 1.00 0.26 H new ATOM 0 HA VAL B 25 5.911 -1.215 -7.303 1.00 0.27 H new ATOM 0 HB VAL B 25 6.940 -0.373 -10.028 1.00 0.34 H new ATOM 0 HG11 VAL B 25 8.884 0.424 -8.732 1.00 0.74 H new ATOM 0 HG12 VAL B 25 7.372 1.205 -8.212 1.00 0.74 H new ATOM 0 HG13 VAL B 25 8.084 -0.096 -7.229 1.00 0.74 H new ATOM 0 HG21 VAL B 25 8.873 -1.854 -9.624 1.00 0.78 H new ATOM 0 HG22 VAL B 25 8.074 -2.484 -8.164 1.00 0.78 H new ATOM 0 HG23 VAL B 25 7.352 -2.767 -9.765 1.00 0.78 H new ATOM 2032 N ASP B 26 4.907 1.091 -7.511 1.00 0.27 N ATOM 2033 CA ASP B 26 4.130 2.329 -7.508 1.00 0.29 C ATOM 2034 C ASP B 26 4.461 3.191 -8.721 1.00 0.24 C ATOM 2035 O ASP B 26 5.512 3.040 -9.346 1.00 0.22 O ATOM 2036 CB ASP B 26 4.420 3.116 -6.229 1.00 0.39 C ATOM 2037 CG ASP B 26 3.332 4.111 -5.858 1.00 0.48 C ATOM 2038 OD1 ASP B 26 3.113 5.085 -6.611 1.00 0.78 O ATOM 2039 OD2 ASP B 26 2.716 3.940 -4.786 1.00 0.72 O ATOM 0 H ASP B 26 5.476 0.957 -6.675 1.00 0.27 H new ATOM 0 HA ASP B 26 3.073 2.067 -7.551 1.00 0.29 H new ATOM 0 HB2 ASP B 26 4.554 2.415 -5.405 1.00 0.39 H new ATOM 0 HB3 ASP B 26 5.362 3.651 -6.349 1.00 0.39 H new ATOM 2044 N HIS B 27 3.568 4.114 -9.027 1.00 0.26 N ATOM 2045 CA HIS B 27 3.735 5.006 -10.161 1.00 0.26 C ATOM 2046 C HIS B 27 4.766 6.084 -9.842 1.00 0.23 C ATOM 2047 O HIS B 27 5.375 6.661 -10.742 1.00 0.26 O ATOM 2048 CB HIS B 27 2.404 5.680 -10.513 1.00 0.34 C ATOM 2049 CG HIS B 27 1.216 4.765 -10.512 1.00 0.50 C ATOM 2050 ND1 HIS B 27 0.259 4.774 -9.522 1.00 0.70 N ATOM 2051 CD2 HIS B 27 0.816 3.833 -11.405 1.00 0.66 C ATOM 2052 CE1 HIS B 27 -0.676 3.889 -9.810 1.00 0.86 C ATOM 2053 NE2 HIS B 27 -0.368 3.303 -10.951 1.00 0.83 N ATOM 0 H HIS B 27 2.709 4.267 -8.499 1.00 0.26 H new ATOM 0 HA HIS B 27 4.078 4.413 -11.009 1.00 0.26 H new ATOM 0 HB2 HIS B 27 2.223 6.488 -9.804 1.00 0.34 H new ATOM 0 HB3 HIS B 27 2.493 6.136 -11.499 1.00 0.34 H new ATOM 0 HD2 HIS B 27 1.333 3.555 -12.311 1.00 0.66 H new ATOM 0 HE1 HIS B 27 -1.549 3.679 -9.211 1.00 0.86 H new ATOM 0 HE2 HIS B 27 -0.915 2.580 -11.417 1.00 0.83 H new ATOM 2062 N ARG B 28 4.964 6.341 -8.554 1.00 0.24 N ATOM 2063 CA ARG B 28 5.893 7.376 -8.108 1.00 0.27 C ATOM 2064 C ARG B 28 7.274 6.814 -7.764 1.00 0.24 C ATOM 2065 O ARG B 28 8.029 7.425 -7.004 1.00 0.28 O ATOM 2066 CB ARG B 28 5.305 8.096 -6.895 1.00 0.35 C ATOM 2067 CG ARG B 28 3.912 8.649 -7.146 1.00 0.48 C ATOM 2068 CD ARG B 28 3.112 8.779 -5.860 1.00 0.56 C ATOM 2069 NE ARG B 28 2.943 7.493 -5.189 1.00 0.99 N ATOM 2070 CZ ARG B 28 2.961 7.338 -3.870 1.00 1.26 C ATOM 2071 NH1 ARG B 28 3.121 8.389 -3.077 1.00 1.61 N ATOM 2072 NH2 ARG B 28 2.823 6.134 -3.339 1.00 1.87 N ATOM 0 H ARG B 28 4.493 5.846 -7.797 1.00 0.24 H new ATOM 0 HA ARG B 28 6.030 8.075 -8.933 1.00 0.27 H new ATOM 0 HB2 ARG B 28 5.269 7.405 -6.053 1.00 0.35 H new ATOM 0 HB3 ARG B 28 5.967 8.913 -6.609 1.00 0.35 H new ATOM 0 HG2 ARG B 28 3.990 9.625 -7.625 1.00 0.48 H new ATOM 0 HG3 ARG B 28 3.382 7.996 -7.839 1.00 0.48 H new ATOM 0 HD2 ARG B 28 3.615 9.475 -5.189 1.00 0.56 H new ATOM 0 HD3 ARG B 28 2.133 9.203 -6.083 1.00 0.56 H new ATOM 0 HE ARG B 28 2.803 6.665 -5.768 1.00 0.99 H new ATOM 0 HH11 ARG B 28 3.231 9.320 -3.480 1.00 1.61 H new ATOM 0 HH12 ARG B 28 3.134 8.267 -2.064 1.00 1.61 H new ATOM 0 HH21 ARG B 28 2.702 5.321 -3.943 1.00 1.87 H new ATOM 0 HH22 ARG B 28 2.837 6.019 -2.326 1.00 1.87 H new ATOM 2086 N CYS B 29 7.619 5.670 -8.338 1.00 0.21 N ATOM 2087 CA CYS B 29 8.915 5.054 -8.076 1.00 0.22 C ATOM 2088 C CYS B 29 10.048 5.897 -8.658 1.00 0.22 C ATOM 2089 O CYS B 29 11.109 6.045 -8.046 1.00 0.25 O ATOM 2090 CB CYS B 29 8.959 3.642 -8.659 1.00 0.27 C ATOM 2091 SG CYS B 29 8.640 3.566 -10.438 1.00 1.34 S ATOM 0 H CYS B 29 7.025 5.151 -8.985 1.00 0.21 H new ATOM 0 HA CYS B 29 9.050 4.996 -6.996 1.00 0.22 H new ATOM 0 HB2 CYS B 29 9.938 3.208 -8.458 1.00 0.27 H new ATOM 0 HB3 CYS B 29 8.224 3.024 -8.142 1.00 0.27 H new ATOM 0 HG CYS B 29 9.767 3.453 -11.076 1.00 1.34 H new ATOM 2097 N VAL B 30 9.806 6.470 -9.831 1.00 0.24 N ATOM 2098 CA VAL B 30 10.801 7.291 -10.504 1.00 0.31 C ATOM 2099 C VAL B 30 10.989 8.612 -9.768 1.00 0.33 C ATOM 2100 O VAL B 30 12.091 9.149 -9.711 1.00 0.38 O ATOM 2101 CB VAL B 30 10.415 7.573 -11.972 1.00 0.39 C ATOM 2102 CG1 VAL B 30 11.585 8.180 -12.734 1.00 1.01 C ATOM 2103 CG2 VAL B 30 9.935 6.298 -12.650 1.00 0.92 C ATOM 0 H VAL B 30 8.925 6.380 -10.336 1.00 0.24 H new ATOM 0 HA VAL B 30 11.736 6.731 -10.498 1.00 0.31 H new ATOM 0 HB VAL B 30 9.599 8.295 -11.978 1.00 0.39 H new ATOM 0 HG11 VAL B 30 11.288 8.370 -13.766 1.00 1.01 H new ATOM 0 HG12 VAL B 30 11.879 9.118 -12.263 1.00 1.01 H new ATOM 0 HG13 VAL B 30 12.427 7.488 -12.720 1.00 1.01 H new ATOM 0 HG21 VAL B 30 9.667 6.515 -13.684 1.00 0.92 H new ATOM 0 HG22 VAL B 30 10.731 5.553 -12.630 1.00 0.92 H new ATOM 0 HG23 VAL B 30 9.063 5.912 -12.122 1.00 0.92 H new ATOM 2113 N ALA B 31 9.909 9.123 -9.196 1.00 0.34 N ATOM 2114 CA ALA B 31 9.958 10.376 -8.454 1.00 0.40 C ATOM 2115 C ALA B 31 10.705 10.201 -7.137 1.00 0.39 C ATOM 2116 O ALA B 31 11.272 11.153 -6.600 1.00 0.45 O ATOM 2117 CB ALA B 31 8.550 10.895 -8.199 1.00 0.46 C ATOM 0 H ALA B 31 8.986 8.689 -9.231 1.00 0.34 H new ATOM 0 HA ALA B 31 10.498 11.107 -9.056 1.00 0.40 H new ATOM 0 HB1 ALA B 31 8.602 11.832 -7.644 1.00 0.46 H new ATOM 0 HB2 ALA B 31 8.047 11.065 -9.151 1.00 0.46 H new ATOM 0 HB3 ALA B 31 7.991 10.160 -7.619 1.00 0.46 H new ATOM 2123 N THR B 32 10.718 8.975 -6.629 1.00 0.36 N ATOM 2124 CA THR B 32 11.381 8.680 -5.369 1.00 0.38 C ATOM 2125 C THR B 32 12.837 8.236 -5.562 1.00 0.42 C ATOM 2126 O THR B 32 13.760 8.910 -5.108 1.00 0.48 O ATOM 2127 CB THR B 32 10.615 7.599 -4.587 1.00 0.37 C ATOM 2128 OG1 THR B 32 9.218 7.925 -4.550 1.00 0.36 O ATOM 2129 CG2 THR B 32 11.148 7.476 -3.165 1.00 0.44 C ATOM 0 H THR B 32 10.276 8.170 -7.072 1.00 0.36 H new ATOM 0 HA THR B 32 11.387 9.609 -4.799 1.00 0.38 H new ATOM 0 HB THR B 32 10.756 6.644 -5.094 1.00 0.37 H new ATOM 0 HG1 THR B 32 8.803 7.684 -5.404 1.00 0.36 H new ATOM 0 HG21 THR B 32 10.590 6.705 -2.633 1.00 0.44 H new ATOM 0 HG22 THR B 32 12.203 7.205 -3.194 1.00 0.44 H new ATOM 0 HG23 THR B 32 11.032 8.429 -2.649 1.00 0.44 H new ATOM 2137 N VAL B 33 13.048 7.112 -6.243 1.00 0.42 N ATOM 2138 CA VAL B 33 14.404 6.599 -6.439 1.00 0.52 C ATOM 2139 C VAL B 33 14.870 6.710 -7.887 1.00 0.57 C ATOM 2140 O VAL B 33 16.062 6.584 -8.172 1.00 0.99 O ATOM 2141 CB VAL B 33 14.531 5.130 -5.981 1.00 0.56 C ATOM 2142 CG1 VAL B 33 14.383 5.027 -4.472 1.00 0.67 C ATOM 2143 CG2 VAL B 33 13.509 4.246 -6.680 1.00 0.51 C ATOM 0 H VAL B 33 12.311 6.546 -6.663 1.00 0.42 H new ATOM 0 HA VAL B 33 15.046 7.228 -5.821 1.00 0.52 H new ATOM 0 HB VAL B 33 15.524 4.777 -6.257 1.00 0.56 H new ATOM 0 HG11 VAL B 33 14.475 3.984 -4.168 1.00 0.67 H new ATOM 0 HG12 VAL B 33 15.162 5.616 -3.989 1.00 0.67 H new ATOM 0 HG13 VAL B 33 13.405 5.406 -4.176 1.00 0.67 H new ATOM 0 HG21 VAL B 33 13.623 3.218 -6.337 1.00 0.51 H new ATOM 0 HG22 VAL B 33 12.504 4.597 -6.447 1.00 0.51 H new ATOM 0 HG23 VAL B 33 13.667 4.289 -7.758 1.00 0.51 H new ATOM 2153 N GLY B 34 13.936 6.922 -8.800 1.00 0.36 N ATOM 2154 CA GLY B 34 14.291 7.045 -10.203 1.00 0.38 C ATOM 2155 C GLY B 34 14.297 5.710 -10.920 1.00 0.33 C ATOM 2156 O GLY B 34 14.244 5.656 -12.151 1.00 0.38 O ATOM 0 H GLY B 34 12.940 7.011 -8.599 1.00 0.36 H new ATOM 0 HA2 GLY B 34 13.586 7.715 -10.695 1.00 0.38 H new ATOM 0 HA3 GLY B 34 15.277 7.503 -10.286 1.00 0.38 H new ATOM 2160 N TYR B 35 14.358 4.633 -10.149 1.00 0.32 N ATOM 2161 CA TYR B 35 14.372 3.290 -10.706 1.00 0.31 C ATOM 2162 C TYR B 35 13.058 2.986 -11.410 1.00 0.29 C ATOM 2163 O TYR B 35 11.979 3.305 -10.904 1.00 0.35 O ATOM 2164 CB TYR B 35 14.624 2.251 -9.609 1.00 0.33 C ATOM 2165 CG TYR B 35 16.079 1.887 -9.430 1.00 0.30 C ATOM 2166 CD1 TYR B 35 16.906 1.687 -10.527 1.00 0.39 C ATOM 2167 CD2 TYR B 35 16.626 1.736 -8.163 1.00 0.30 C ATOM 2168 CE1 TYR B 35 18.235 1.350 -10.367 1.00 0.39 C ATOM 2169 CE2 TYR B 35 17.956 1.400 -7.995 1.00 0.30 C ATOM 2170 CZ TYR B 35 18.756 1.208 -9.099 1.00 0.30 C ATOM 2171 OH TYR B 35 20.082 0.870 -8.937 1.00 0.34 O ATOM 0 H TYR B 35 14.399 4.665 -9.130 1.00 0.32 H new ATOM 0 HA TYR B 35 15.182 3.238 -11.433 1.00 0.31 H new ATOM 0 HB2 TYR B 35 14.237 2.634 -8.665 1.00 0.33 H new ATOM 0 HB3 TYR B 35 14.060 1.348 -9.842 1.00 0.33 H new ATOM 0 HD1 TYR B 35 16.503 1.797 -11.523 1.00 0.39 H new ATOM 0 HD2 TYR B 35 16.002 1.884 -7.294 1.00 0.30 H new ATOM 0 HE1 TYR B 35 18.864 1.198 -11.232 1.00 0.39 H new ATOM 0 HE2 TYR B 35 18.366 1.289 -7.002 1.00 0.30 H new ATOM 0 HH TYR B 35 20.642 1.659 -9.092 1.00 0.34 H new ATOM 2181 N GLN B 36 13.162 2.382 -12.583 1.00 0.30 N ATOM 2182 CA GLN B 36 11.989 2.024 -13.362 1.00 0.31 C ATOM 2183 C GLN B 36 11.340 0.782 -12.760 1.00 0.30 C ATOM 2184 O GLN B 36 12.038 -0.085 -12.236 1.00 0.35 O ATOM 2185 CB GLN B 36 12.380 1.770 -14.820 1.00 0.40 C ATOM 2186 CG GLN B 36 13.185 2.902 -15.443 1.00 0.42 C ATOM 2187 CD GLN B 36 12.382 4.177 -15.605 1.00 0.81 C ATOM 2188 OE1 GLN B 36 11.698 4.368 -16.608 1.00 1.63 O ATOM 2189 NE2 GLN B 36 12.467 5.066 -14.628 1.00 1.29 N ATOM 0 H GLN B 36 14.050 2.129 -13.017 1.00 0.30 H new ATOM 0 HA GLN B 36 11.275 2.847 -13.338 1.00 0.31 H new ATOM 0 HB2 GLN B 36 12.961 0.849 -14.876 1.00 0.40 H new ATOM 0 HB3 GLN B 36 11.475 1.613 -15.408 1.00 0.40 H new ATOM 0 HG2 GLN B 36 14.058 3.105 -14.822 1.00 0.42 H new ATOM 0 HG3 GLN B 36 13.554 2.585 -16.418 1.00 0.42 H new ATOM 0 HE21 GLN B 36 13.045 4.872 -13.811 1.00 1.29 H new ATOM 0 HE22 GLN B 36 11.954 5.945 -14.693 1.00 1.29 H new ATOM 2198 N PRO B 37 10.003 0.678 -12.822 1.00 0.33 N ATOM 2199 CA PRO B 37 9.271 -0.467 -12.266 1.00 0.35 C ATOM 2200 C PRO B 37 9.789 -1.801 -12.795 1.00 0.31 C ATOM 2201 O PRO B 37 9.902 -2.778 -12.056 1.00 0.30 O ATOM 2202 CB PRO B 37 7.831 -0.234 -12.730 1.00 0.43 C ATOM 2203 CG PRO B 37 7.737 1.232 -12.972 1.00 0.49 C ATOM 2204 CD PRO B 37 9.097 1.663 -13.443 1.00 0.40 C ATOM 0 HA PRO B 37 9.379 -0.528 -11.183 1.00 0.35 H new ATOM 0 HB2 PRO B 37 7.612 -0.799 -13.636 1.00 0.43 H new ATOM 0 HB3 PRO B 37 7.115 -0.556 -11.973 1.00 0.43 H new ATOM 0 HG2 PRO B 37 6.976 1.456 -13.720 1.00 0.49 H new ATOM 0 HG3 PRO B 37 7.454 1.760 -12.061 1.00 0.49 H new ATOM 0 HD2 PRO B 37 9.170 1.646 -14.530 1.00 0.40 H new ATOM 0 HD3 PRO B 37 9.329 2.679 -13.124 1.00 0.40 H new ATOM 2212 N GLN B 38 10.127 -1.817 -14.077 1.00 0.33 N ATOM 2213 CA GLN B 38 10.632 -3.013 -14.743 1.00 0.35 C ATOM 2214 C GLN B 38 11.974 -3.466 -14.162 1.00 0.34 C ATOM 2215 O GLN B 38 12.313 -4.648 -14.224 1.00 0.33 O ATOM 2216 CB GLN B 38 10.782 -2.753 -16.246 1.00 0.46 C ATOM 2217 CG GLN B 38 9.463 -2.474 -16.956 1.00 0.57 C ATOM 2218 CD GLN B 38 9.103 -0.995 -16.999 1.00 1.14 C ATOM 2219 OE1 GLN B 38 9.528 -0.208 -16.151 1.00 2.03 O ATOM 2220 NE2 GLN B 38 8.305 -0.610 -17.981 1.00 1.34 N ATOM 0 H GLN B 38 10.059 -1.002 -14.686 1.00 0.33 H new ATOM 0 HA GLN B 38 9.909 -3.811 -14.576 1.00 0.35 H new ATOM 0 HB2 GLN B 38 11.450 -1.904 -16.394 1.00 0.46 H new ATOM 0 HB3 GLN B 38 11.258 -3.617 -16.709 1.00 0.46 H new ATOM 0 HG2 GLN B 38 9.519 -2.857 -17.975 1.00 0.57 H new ATOM 0 HG3 GLN B 38 8.665 -3.021 -16.453 1.00 0.57 H new ATOM 0 HE21 GLN B 38 7.973 -1.290 -18.665 1.00 1.34 H new ATOM 0 HE22 GLN B 38 8.022 0.367 -18.055 1.00 1.34 H new ATOM 2229 N GLU B 39 12.723 -2.529 -13.585 1.00 0.39 N ATOM 2230 CA GLU B 39 14.028 -2.841 -13.004 1.00 0.44 C ATOM 2231 C GLU B 39 13.874 -3.570 -11.675 1.00 0.44 C ATOM 2232 O GLU B 39 14.758 -4.321 -11.263 1.00 0.53 O ATOM 2233 CB GLU B 39 14.855 -1.568 -12.810 1.00 0.55 C ATOM 2234 CG GLU B 39 15.311 -0.939 -14.116 1.00 0.59 C ATOM 2235 CD GLU B 39 16.460 0.032 -13.933 1.00 1.16 C ATOM 2236 OE1 GLU B 39 17.614 -0.425 -13.784 1.00 1.59 O ATOM 2237 OE2 GLU B 39 16.224 1.257 -13.963 1.00 1.69 O ATOM 0 H GLU B 39 12.450 -1.549 -13.507 1.00 0.39 H new ATOM 0 HA GLU B 39 14.552 -3.496 -13.700 1.00 0.44 H new ATOM 0 HB2 GLU B 39 14.264 -0.841 -12.252 1.00 0.55 H new ATOM 0 HB3 GLU B 39 15.730 -1.801 -12.203 1.00 0.55 H new ATOM 0 HG2 GLU B 39 15.614 -1.726 -14.806 1.00 0.59 H new ATOM 0 HG3 GLU B 39 14.471 -0.418 -14.575 1.00 0.59 H new ATOM 2244 N LEU B 40 12.747 -3.343 -11.012 1.00 0.41 N ATOM 2245 CA LEU B 40 12.471 -3.984 -9.731 1.00 0.44 C ATOM 2246 C LEU B 40 11.799 -5.334 -9.948 1.00 0.40 C ATOM 2247 O LEU B 40 11.941 -6.253 -9.139 1.00 0.45 O ATOM 2248 CB LEU B 40 11.577 -3.094 -8.856 1.00 0.50 C ATOM 2249 CG LEU B 40 12.280 -1.936 -8.132 1.00 0.53 C ATOM 2250 CD1 LEU B 40 13.622 -2.377 -7.570 1.00 1.10 C ATOM 2251 CD2 LEU B 40 12.449 -0.746 -9.060 1.00 1.24 C ATOM 0 H LEU B 40 12.009 -2.720 -11.340 1.00 0.41 H new ATOM 0 HA LEU B 40 13.421 -4.135 -9.218 1.00 0.44 H new ATOM 0 HB2 LEU B 40 10.788 -2.679 -9.483 1.00 0.50 H new ATOM 0 HB3 LEU B 40 11.093 -3.723 -8.109 1.00 0.50 H new ATOM 0 HG LEU B 40 11.651 -1.631 -7.296 1.00 0.53 H new ATOM 0 HD11 LEU B 40 14.098 -1.538 -7.063 1.00 1.10 H new ATOM 0 HD12 LEU B 40 13.470 -3.190 -6.861 1.00 1.10 H new ATOM 0 HD13 LEU B 40 14.262 -2.720 -8.383 1.00 1.10 H new ATOM 0 HD21 LEU B 40 12.949 0.063 -8.527 1.00 1.24 H new ATOM 0 HD22 LEU B 40 13.049 -1.039 -9.921 1.00 1.24 H new ATOM 0 HD23 LEU B 40 11.470 -0.407 -9.399 1.00 1.24 H new ATOM 2263 N LEU B 41 11.069 -5.449 -11.051 1.00 0.34 N ATOM 2264 CA LEU B 41 10.368 -6.682 -11.381 1.00 0.34 C ATOM 2265 C LEU B 41 11.353 -7.828 -11.579 1.00 0.38 C ATOM 2266 O LEU B 41 12.177 -7.802 -12.493 1.00 0.43 O ATOM 2267 CB LEU B 41 9.524 -6.499 -12.646 1.00 0.29 C ATOM 2268 CG LEU B 41 8.439 -5.426 -12.560 1.00 0.28 C ATOM 2269 CD1 LEU B 41 7.672 -5.338 -13.870 1.00 0.30 C ATOM 2270 CD2 LEU B 41 7.494 -5.715 -11.404 1.00 0.30 C ATOM 0 H LEU B 41 10.947 -4.701 -11.733 1.00 0.34 H new ATOM 0 HA LEU B 41 9.709 -6.927 -10.548 1.00 0.34 H new ATOM 0 HB2 LEU B 41 10.189 -6.254 -13.474 1.00 0.29 H new ATOM 0 HB3 LEU B 41 9.052 -7.451 -12.888 1.00 0.29 H new ATOM 0 HG LEU B 41 8.919 -4.464 -12.378 1.00 0.28 H new ATOM 0 HD11 LEU B 41 6.904 -4.569 -13.791 1.00 0.30 H new ATOM 0 HD12 LEU B 41 8.359 -5.083 -14.677 1.00 0.30 H new ATOM 0 HD13 LEU B 41 7.203 -6.299 -14.082 1.00 0.30 H new ATOM 0 HD21 LEU B 41 6.728 -4.941 -11.358 1.00 0.30 H new ATOM 0 HD22 LEU B 41 7.021 -6.685 -11.555 1.00 0.30 H new ATOM 0 HD23 LEU B 41 8.055 -5.726 -10.470 1.00 0.30 H new ATOM 2282 N GLY B 42 11.279 -8.821 -10.704 1.00 0.43 N ATOM 2283 CA GLY B 42 12.164 -9.964 -10.806 1.00 0.51 C ATOM 2284 C GLY B 42 13.446 -9.782 -10.020 1.00 0.49 C ATOM 2285 O GLY B 42 14.349 -10.617 -10.091 1.00 0.53 O ATOM 0 H GLY B 42 10.622 -8.856 -9.925 1.00 0.43 H new ATOM 0 HA2 GLY B 42 11.646 -10.853 -10.447 1.00 0.51 H new ATOM 0 HA3 GLY B 42 12.407 -10.138 -11.854 1.00 0.51 H new ATOM 2289 N LYS B 43 13.532 -8.692 -9.278 1.00 0.46 N ATOM 2290 CA LYS B 43 14.708 -8.405 -8.473 1.00 0.47 C ATOM 2291 C LYS B 43 14.343 -8.363 -6.999 1.00 0.40 C ATOM 2292 O LYS B 43 13.172 -8.218 -6.646 1.00 0.50 O ATOM 2293 CB LYS B 43 15.329 -7.071 -8.888 1.00 0.57 C ATOM 2294 CG LYS B 43 16.000 -7.096 -10.251 1.00 0.73 C ATOM 2295 CD LYS B 43 17.464 -7.492 -10.153 1.00 0.81 C ATOM 2296 CE LYS B 43 17.641 -8.998 -10.133 1.00 1.70 C ATOM 2297 NZ LYS B 43 19.052 -9.384 -9.874 1.00 2.45 N ATOM 0 H LYS B 43 12.797 -7.987 -9.216 1.00 0.46 H new ATOM 0 HA LYS B 43 15.435 -9.200 -8.637 1.00 0.47 H new ATOM 0 HB2 LYS B 43 14.552 -6.306 -8.891 1.00 0.57 H new ATOM 0 HB3 LYS B 43 16.064 -6.776 -8.139 1.00 0.57 H new ATOM 0 HG2 LYS B 43 15.477 -7.797 -10.901 1.00 0.73 H new ATOM 0 HG3 LYS B 43 15.920 -6.112 -10.714 1.00 0.73 H new ATOM 0 HD2 LYS B 43 18.011 -7.073 -10.998 1.00 0.81 H new ATOM 0 HD3 LYS B 43 17.897 -7.063 -9.249 1.00 0.81 H new ATOM 0 HE2 LYS B 43 16.999 -9.429 -9.365 1.00 1.70 H new ATOM 0 HE3 LYS B 43 17.320 -9.415 -11.088 1.00 1.70 H new ATOM 0 HZ1 LYS B 43 19.095 -10.391 -9.617 1.00 2.45 H new ATOM 0 HZ2 LYS B 43 19.619 -9.221 -10.730 1.00 2.45 H new ATOM 0 HZ3 LYS B 43 19.431 -8.811 -9.093 1.00 2.45 H new ATOM 2311 N ASN B 44 15.345 -8.498 -6.146 1.00 0.32 N ATOM 2312 CA ASN B 44 15.135 -8.463 -4.710 1.00 0.29 C ATOM 2313 C ASN B 44 15.465 -7.079 -4.178 1.00 0.28 C ATOM 2314 O ASN B 44 16.483 -6.494 -4.542 1.00 0.30 O ATOM 2315 CB ASN B 44 16.005 -9.505 -3.999 1.00 0.30 C ATOM 2316 CG ASN B 44 15.586 -10.932 -4.295 1.00 0.91 C ATOM 2317 OD1 ASN B 44 15.937 -11.490 -5.332 1.00 1.92 O ATOM 2318 ND2 ASN B 44 14.856 -11.548 -3.375 1.00 0.70 N ATOM 0 H ASN B 44 16.316 -8.633 -6.426 1.00 0.32 H new ATOM 0 HA ASN B 44 14.089 -8.696 -4.513 1.00 0.29 H new ATOM 0 HB2 ASN B 44 17.044 -9.368 -4.299 1.00 0.30 H new ATOM 0 HB3 ASN B 44 15.959 -9.335 -2.923 1.00 0.30 H new ATOM 0 HD21 ASN B 44 14.568 -12.516 -3.517 1.00 0.70 H new ATOM 0 HD22 ASN B 44 14.583 -11.054 -2.526 1.00 0.70 H new ATOM 2325 N ILE B 45 14.606 -6.560 -3.313 1.00 0.25 N ATOM 2326 CA ILE B 45 14.811 -5.241 -2.718 1.00 0.25 C ATOM 2327 C ILE B 45 16.132 -5.186 -1.937 1.00 0.24 C ATOM 2328 O ILE B 45 16.730 -4.123 -1.777 1.00 0.31 O ATOM 2329 CB ILE B 45 13.630 -4.864 -1.786 1.00 0.25 C ATOM 2330 CG1 ILE B 45 13.808 -3.447 -1.227 1.00 0.27 C ATOM 2331 CG2 ILE B 45 13.492 -5.875 -0.657 1.00 0.24 C ATOM 2332 CD1 ILE B 45 12.592 -2.920 -0.493 1.00 0.28 C ATOM 0 H ILE B 45 13.756 -7.032 -3.004 1.00 0.25 H new ATOM 0 HA ILE B 45 14.859 -4.518 -3.532 1.00 0.25 H new ATOM 0 HB ILE B 45 12.713 -4.883 -2.375 1.00 0.25 H new ATOM 0 HG12 ILE B 45 14.661 -3.439 -0.549 1.00 0.27 H new ATOM 0 HG13 ILE B 45 14.046 -2.770 -2.048 1.00 0.27 H new ATOM 0 HG21 ILE B 45 12.658 -5.592 -0.015 1.00 0.24 H new ATOM 0 HG22 ILE B 45 13.308 -6.865 -1.075 1.00 0.24 H new ATOM 0 HG23 ILE B 45 14.411 -5.894 -0.071 1.00 0.24 H new ATOM 0 HD11 ILE B 45 12.796 -1.913 -0.128 1.00 0.28 H new ATOM 0 HD12 ILE B 45 11.740 -2.894 -1.172 1.00 0.28 H new ATOM 0 HD13 ILE B 45 12.364 -3.573 0.350 1.00 0.28 H new ATOM 2344 N VAL B 46 16.599 -6.351 -1.493 1.00 0.21 N ATOM 2345 CA VAL B 46 17.837 -6.451 -0.725 1.00 0.23 C ATOM 2346 C VAL B 46 19.066 -6.206 -1.611 1.00 0.23 C ATOM 2347 O VAL B 46 20.153 -5.904 -1.114 1.00 0.29 O ATOM 2348 CB VAL B 46 17.946 -7.833 -0.035 1.00 0.26 C ATOM 2349 CG1 VAL B 46 18.288 -8.927 -1.037 1.00 1.08 C ATOM 2350 CG2 VAL B 46 18.960 -7.794 1.098 1.00 1.15 C ATOM 0 H VAL B 46 16.134 -7.245 -1.654 1.00 0.21 H new ATOM 0 HA VAL B 46 17.810 -5.677 0.042 1.00 0.23 H new ATOM 0 HB VAL B 46 16.971 -8.070 0.391 1.00 0.26 H new ATOM 0 HG11 VAL B 46 18.357 -9.885 -0.521 1.00 1.08 H new ATOM 0 HG12 VAL B 46 17.509 -8.980 -1.798 1.00 1.08 H new ATOM 0 HG13 VAL B 46 19.243 -8.701 -1.511 1.00 1.08 H new ATOM 0 HG21 VAL B 46 19.019 -8.776 1.567 1.00 1.15 H new ATOM 0 HG22 VAL B 46 19.938 -7.522 0.702 1.00 1.15 H new ATOM 0 HG23 VAL B 46 18.650 -7.056 1.838 1.00 1.15 H new ATOM 2360 N GLU B 47 18.882 -6.316 -2.923 1.00 0.23 N ATOM 2361 CA GLU B 47 19.973 -6.106 -3.868 1.00 0.27 C ATOM 2362 C GLU B 47 20.295 -4.624 -3.989 1.00 0.25 C ATOM 2363 O GLU B 47 21.456 -4.231 -4.110 1.00 0.35 O ATOM 2364 CB GLU B 47 19.605 -6.667 -5.241 1.00 0.34 C ATOM 2365 CG GLU B 47 19.355 -8.164 -5.246 1.00 0.42 C ATOM 2366 CD GLU B 47 19.063 -8.691 -6.632 1.00 1.07 C ATOM 2367 OE1 GLU B 47 20.006 -8.791 -7.445 1.00 1.06 O ATOM 2368 OE2 GLU B 47 17.892 -9.005 -6.923 1.00 1.96 O ATOM 0 H GLU B 47 17.988 -6.549 -3.356 1.00 0.23 H new ATOM 0 HA GLU B 47 20.853 -6.630 -3.494 1.00 0.27 H new ATOM 0 HB2 GLU B 47 18.712 -6.158 -5.603 1.00 0.34 H new ATOM 0 HB3 GLU B 47 20.408 -6.440 -5.943 1.00 0.34 H new ATOM 0 HG2 GLU B 47 20.227 -8.677 -4.841 1.00 0.42 H new ATOM 0 HG3 GLU B 47 18.516 -8.392 -4.588 1.00 0.42 H new ATOM 2375 N PHE B 48 19.254 -3.807 -3.935 1.00 0.22 N ATOM 2376 CA PHE B 48 19.399 -2.361 -4.043 1.00 0.26 C ATOM 2377 C PHE B 48 19.445 -1.735 -2.654 1.00 0.26 C ATOM 2378 O PHE B 48 19.242 -0.533 -2.487 1.00 0.33 O ATOM 2379 CB PHE B 48 18.233 -1.772 -4.845 1.00 0.32 C ATOM 2380 CG PHE B 48 17.983 -2.460 -6.159 1.00 0.35 C ATOM 2381 CD1 PHE B 48 18.628 -2.039 -7.308 1.00 0.40 C ATOM 2382 CD2 PHE B 48 17.095 -3.520 -6.244 1.00 0.39 C ATOM 2383 CE1 PHE B 48 18.395 -2.661 -8.519 1.00 0.45 C ATOM 2384 CE2 PHE B 48 16.859 -4.148 -7.451 1.00 0.45 C ATOM 2385 CZ PHE B 48 17.509 -3.718 -8.590 1.00 0.46 C ATOM 0 H PHE B 48 18.292 -4.123 -3.816 1.00 0.22 H new ATOM 0 HA PHE B 48 20.331 -2.139 -4.562 1.00 0.26 H new ATOM 0 HB2 PHE B 48 17.327 -1.825 -4.241 1.00 0.32 H new ATOM 0 HB3 PHE B 48 18.431 -0.716 -5.031 1.00 0.32 H new ATOM 0 HD1 PHE B 48 19.323 -1.214 -7.258 1.00 0.40 H new ATOM 0 HD2 PHE B 48 16.582 -3.859 -5.356 1.00 0.39 H new ATOM 0 HE1 PHE B 48 18.905 -2.321 -9.409 1.00 0.45 H new ATOM 0 HE2 PHE B 48 16.166 -4.975 -7.504 1.00 0.45 H new ATOM 0 HZ PHE B 48 17.325 -4.207 -9.535 1.00 0.46 H new ATOM 2395 N CYS B 49 19.717 -2.565 -1.661 1.00 0.23 N ATOM 2396 CA CYS B 49 19.786 -2.118 -0.284 1.00 0.28 C ATOM 2397 C CYS B 49 21.236 -1.973 0.165 1.00 0.30 C ATOM 2398 O CYS B 49 22.124 -2.660 -0.344 1.00 0.38 O ATOM 2399 CB CYS B 49 19.053 -3.115 0.619 1.00 0.31 C ATOM 2400 SG CYS B 49 19.124 -2.725 2.382 1.00 1.17 S ATOM 0 H CYS B 49 19.895 -3.561 -1.787 1.00 0.23 H new ATOM 0 HA CYS B 49 19.306 -1.142 -0.209 1.00 0.28 H new ATOM 0 HB2 CYS B 49 18.008 -3.163 0.313 1.00 0.31 H new ATOM 0 HB3 CYS B 49 19.477 -4.107 0.462 1.00 0.31 H new ATOM 0 HG CYS B 49 18.412 -1.664 2.621 1.00 1.17 H new ATOM 2406 N HIS B 50 21.462 -1.058 1.098 1.00 0.32 N ATOM 2407 CA HIS B 50 22.786 -0.810 1.657 1.00 0.38 C ATOM 2408 C HIS B 50 23.338 -2.105 2.252 1.00 0.32 C ATOM 2409 O HIS B 50 22.646 -2.773 3.011 1.00 0.31 O ATOM 2410 CB HIS B 50 22.662 0.271 2.738 1.00 0.54 C ATOM 2411 CG HIS B 50 23.940 0.955 3.114 1.00 0.41 C ATOM 2412 ND1 HIS B 50 24.314 1.164 4.423 1.00 1.06 N ATOM 2413 CD2 HIS B 50 24.907 1.519 2.354 1.00 1.18 C ATOM 2414 CE1 HIS B 50 25.453 1.826 4.454 1.00 0.87 C ATOM 2415 NE2 HIS B 50 25.832 2.054 3.212 1.00 1.08 N ATOM 0 H HIS B 50 20.731 -0.465 1.490 1.00 0.32 H new ATOM 0 HA HIS B 50 23.471 -0.469 0.881 1.00 0.38 H new ATOM 0 HB2 HIS B 50 21.954 1.025 2.394 1.00 0.54 H new ATOM 0 HB3 HIS B 50 22.235 -0.182 3.633 1.00 0.54 H new ATOM 0 HD1 HIS B 50 23.790 0.854 5.242 1.00 1.06 H new ATOM 0 HD2 HIS B 50 24.943 1.543 1.275 1.00 1.18 H new ATOM 0 HE1 HIS B 50 25.985 2.130 5.344 1.00 0.87 H new ATOM 2424 N PRO B 51 24.580 -2.480 1.906 1.00 0.35 N ATOM 2425 CA PRO B 51 25.215 -3.716 2.400 1.00 0.38 C ATOM 2426 C PRO B 51 25.096 -3.907 3.914 1.00 0.36 C ATOM 2427 O PRO B 51 24.869 -5.018 4.391 1.00 0.46 O ATOM 2428 CB PRO B 51 26.678 -3.531 2.001 1.00 0.47 C ATOM 2429 CG PRO B 51 26.625 -2.677 0.783 1.00 0.72 C ATOM 2430 CD PRO B 51 25.467 -1.739 0.987 1.00 0.44 C ATOM 0 HA PRO B 51 24.738 -4.602 1.982 1.00 0.38 H new ATOM 0 HB2 PRO B 51 27.249 -3.053 2.797 1.00 0.47 H new ATOM 0 HB3 PRO B 51 27.158 -4.488 1.795 1.00 0.47 H new ATOM 0 HG2 PRO B 51 27.556 -2.125 0.652 1.00 0.72 H new ATOM 0 HG3 PRO B 51 26.484 -3.282 -0.113 1.00 0.72 H new ATOM 0 HD2 PRO B 51 25.790 -0.791 1.418 1.00 0.44 H new ATOM 0 HD3 PRO B 51 24.967 -1.508 0.046 1.00 0.44 H new ATOM 2438 N GLU B 52 25.257 -2.826 4.660 1.00 0.37 N ATOM 2439 CA GLU B 52 25.176 -2.871 6.116 1.00 0.38 C ATOM 2440 C GLU B 52 23.734 -2.743 6.607 1.00 0.37 C ATOM 2441 O GLU B 52 23.449 -2.938 7.787 1.00 0.40 O ATOM 2442 CB GLU B 52 26.026 -1.748 6.723 1.00 0.45 C ATOM 2443 CG GLU B 52 27.487 -1.778 6.294 1.00 0.78 C ATOM 2444 CD GLU B 52 27.770 -0.933 5.064 1.00 1.36 C ATOM 2445 OE1 GLU B 52 26.889 -0.818 4.189 1.00 2.04 O ATOM 2446 OE2 GLU B 52 28.886 -0.381 4.964 1.00 1.70 O ATOM 0 H GLU B 52 25.446 -1.899 4.280 1.00 0.37 H new ATOM 0 HA GLU B 52 25.558 -3.840 6.438 1.00 0.38 H new ATOM 0 HB2 GLU B 52 25.595 -0.787 6.442 1.00 0.45 H new ATOM 0 HB3 GLU B 52 25.975 -1.814 7.810 1.00 0.45 H new ATOM 0 HG2 GLU B 52 28.108 -1.427 7.118 1.00 0.78 H new ATOM 0 HG3 GLU B 52 27.778 -2.809 6.093 1.00 0.78 H new ATOM 2453 N ASP B 53 22.826 -2.431 5.696 1.00 0.36 N ATOM 2454 CA ASP B 53 21.419 -2.257 6.044 1.00 0.37 C ATOM 2455 C ASP B 53 20.605 -3.449 5.558 1.00 0.38 C ATOM 2456 O ASP B 53 19.395 -3.522 5.782 1.00 0.42 O ATOM 2457 CB ASP B 53 20.859 -0.971 5.417 1.00 0.47 C ATOM 2458 CG ASP B 53 21.498 0.303 5.947 1.00 0.48 C ATOM 2459 OD1 ASP B 53 22.689 0.280 6.319 1.00 1.10 O ATOM 2460 OD2 ASP B 53 20.817 1.348 5.971 1.00 1.09 O ATOM 0 H ASP B 53 23.036 -2.292 4.707 1.00 0.36 H new ATOM 0 HA ASP B 53 21.346 -2.184 7.129 1.00 0.37 H new ATOM 0 HB2 ASP B 53 21.000 -1.014 4.337 1.00 0.47 H new ATOM 0 HB3 ASP B 53 19.785 -0.929 5.597 1.00 0.47 H new ATOM 2465 N GLN B 54 21.281 -4.383 4.900 1.00 0.41 N ATOM 2466 CA GLN B 54 20.633 -5.569 4.352 1.00 0.47 C ATOM 2467 C GLN B 54 19.969 -6.410 5.439 1.00 0.50 C ATOM 2468 O GLN B 54 18.819 -6.831 5.291 1.00 0.53 O ATOM 2469 CB GLN B 54 21.642 -6.412 3.574 1.00 0.56 C ATOM 2470 CG GLN B 54 21.907 -5.896 2.170 1.00 0.65 C ATOM 2471 CD GLN B 54 22.931 -6.725 1.423 1.00 0.69 C ATOM 2472 OE1 GLN B 54 23.882 -7.246 2.013 1.00 1.10 O ATOM 2473 NE2 GLN B 54 22.741 -6.860 0.121 1.00 0.80 N ATOM 0 H GLN B 54 22.286 -4.341 4.732 1.00 0.41 H new ATOM 0 HA GLN B 54 19.849 -5.230 3.675 1.00 0.47 H new ATOM 0 HB2 GLN B 54 22.582 -6.441 4.126 1.00 0.56 H new ATOM 0 HB3 GLN B 54 21.277 -7.437 3.513 1.00 0.56 H new ATOM 0 HG2 GLN B 54 20.973 -5.889 1.608 1.00 0.65 H new ATOM 0 HG3 GLN B 54 22.253 -4.864 2.227 1.00 0.65 H new ATOM 0 HE21 GLN B 54 21.941 -6.412 -0.327 1.00 0.80 H new ATOM 0 HE22 GLN B 54 23.394 -7.412 -0.435 1.00 0.80 H new ATOM 2482 N GLN B 55 20.685 -6.655 6.530 1.00 0.54 N ATOM 2483 CA GLN B 55 20.132 -7.441 7.622 1.00 0.61 C ATOM 2484 C GLN B 55 18.971 -6.696 8.267 1.00 0.52 C ATOM 2485 O GLN B 55 17.975 -7.305 8.652 1.00 0.52 O ATOM 2486 CB GLN B 55 21.202 -7.777 8.663 1.00 0.76 C ATOM 2487 CG GLN B 55 20.684 -8.624 9.821 1.00 1.33 C ATOM 2488 CD GLN B 55 19.847 -9.811 9.369 1.00 1.73 C ATOM 2489 OE1 GLN B 55 20.067 -10.376 8.298 1.00 2.72 O ATOM 2490 NE2 GLN B 55 18.876 -10.191 10.181 1.00 1.51 N ATOM 0 H GLN B 55 21.638 -6.325 6.680 1.00 0.54 H new ATOM 0 HA GLN B 55 19.764 -8.381 7.212 1.00 0.61 H new ATOM 0 HB2 GLN B 55 22.019 -8.307 8.174 1.00 0.76 H new ATOM 0 HB3 GLN B 55 21.615 -6.849 9.059 1.00 0.76 H new ATOM 0 HG2 GLN B 55 21.530 -8.986 10.405 1.00 1.33 H new ATOM 0 HG3 GLN B 55 20.086 -7.997 10.482 1.00 1.33 H new ATOM 0 HE21 GLN B 55 18.724 -9.698 11.061 1.00 1.51 H new ATOM 0 HE22 GLN B 55 18.278 -10.978 9.928 1.00 1.51 H new ATOM 2499 N LEU B 56 19.099 -5.376 8.359 1.00 0.51 N ATOM 2500 CA LEU B 56 18.051 -4.541 8.932 1.00 0.51 C ATOM 2501 C LEU B 56 16.756 -4.734 8.146 1.00 0.42 C ATOM 2502 O LEU B 56 15.663 -4.803 8.719 1.00 0.42 O ATOM 2503 CB LEU B 56 18.472 -3.067 8.914 1.00 0.60 C ATOM 2504 CG LEU B 56 17.399 -2.075 9.370 1.00 0.63 C ATOM 2505 CD1 LEU B 56 17.022 -2.320 10.826 1.00 1.29 C ATOM 2506 CD2 LEU B 56 17.881 -0.644 9.163 1.00 1.42 C ATOM 0 H LEU B 56 19.921 -4.861 8.043 1.00 0.51 H new ATOM 0 HA LEU B 56 17.887 -4.836 9.968 1.00 0.51 H new ATOM 0 HB2 LEU B 56 19.348 -2.948 9.552 1.00 0.60 H new ATOM 0 HB3 LEU B 56 18.778 -2.806 7.901 1.00 0.60 H new ATOM 0 HG LEU B 56 16.505 -2.226 8.764 1.00 0.63 H new ATOM 0 HD11 LEU B 56 16.258 -1.604 11.129 1.00 1.29 H new ATOM 0 HD12 LEU B 56 16.634 -3.333 10.936 1.00 1.29 H new ATOM 0 HD13 LEU B 56 17.904 -2.199 11.455 1.00 1.29 H new ATOM 0 HD21 LEU B 56 17.108 0.051 9.491 1.00 1.42 H new ATOM 0 HD22 LEU B 56 18.789 -0.478 9.743 1.00 1.42 H new ATOM 0 HD23 LEU B 56 18.091 -0.480 8.106 1.00 1.42 H new ATOM 2518 N LEU B 57 16.892 -4.832 6.828 1.00 0.40 N ATOM 2519 CA LEU B 57 15.749 -5.045 5.952 1.00 0.39 C ATOM 2520 C LEU B 57 15.186 -6.445 6.161 1.00 0.37 C ATOM 2521 O LEU B 57 13.987 -6.618 6.379 1.00 0.39 O ATOM 2522 CB LEU B 57 16.154 -4.874 4.485 1.00 0.48 C ATOM 2523 CG LEU B 57 15.550 -3.666 3.771 1.00 0.60 C ATOM 2524 CD1 LEU B 57 15.683 -3.827 2.267 1.00 1.01 C ATOM 2525 CD2 LEU B 57 14.090 -3.481 4.158 1.00 1.15 C ATOM 0 H LEU B 57 17.787 -4.767 6.343 1.00 0.40 H new ATOM 0 HA LEU B 57 14.987 -4.305 6.197 1.00 0.39 H new ATOM 0 HB2 LEU B 57 17.240 -4.799 4.433 1.00 0.48 H new ATOM 0 HB3 LEU B 57 15.870 -5.775 3.941 1.00 0.48 H new ATOM 0 HG LEU B 57 16.097 -2.775 4.080 1.00 0.60 H new ATOM 0 HD11 LEU B 57 15.249 -2.960 1.769 1.00 1.01 H new ATOM 0 HD12 LEU B 57 16.737 -3.908 2.002 1.00 1.01 H new ATOM 0 HD13 LEU B 57 15.158 -4.728 1.950 1.00 1.01 H new ATOM 0 HD21 LEU B 57 13.682 -2.615 3.637 1.00 1.15 H new ATOM 0 HD22 LEU B 57 13.525 -4.371 3.881 1.00 1.15 H new ATOM 0 HD23 LEU B 57 14.016 -3.325 5.234 1.00 1.15 H new ATOM 2537 N ARG B 58 16.075 -7.432 6.108 1.00 0.42 N ATOM 2538 CA ARG B 58 15.703 -8.835 6.279 1.00 0.50 C ATOM 2539 C ARG B 58 14.993 -9.062 7.610 1.00 0.44 C ATOM 2540 O ARG B 58 13.948 -9.710 7.661 1.00 0.44 O ATOM 2541 CB ARG B 58 16.948 -9.723 6.193 1.00 0.65 C ATOM 2542 CG ARG B 58 16.637 -11.210 6.091 1.00 1.08 C ATOM 2543 CD ARG B 58 17.905 -12.048 6.121 1.00 1.12 C ATOM 2544 NE ARG B 58 17.661 -13.428 5.706 1.00 1.90 N ATOM 2545 CZ ARG B 58 18.558 -14.410 5.794 1.00 2.21 C ATOM 2546 NH1 ARG B 58 19.763 -14.185 6.311 1.00 1.97 N ATOM 2547 NH2 ARG B 58 18.241 -15.622 5.363 1.00 3.01 N ATOM 0 H ARG B 58 17.071 -7.284 5.946 1.00 0.42 H new ATOM 0 HA ARG B 58 15.013 -9.100 5.478 1.00 0.50 H new ATOM 0 HB2 ARG B 58 17.537 -9.424 5.326 1.00 0.65 H new ATOM 0 HB3 ARG B 58 17.567 -9.550 7.073 1.00 0.65 H new ATOM 0 HG2 ARG B 58 15.986 -11.504 6.914 1.00 1.08 H new ATOM 0 HG3 ARG B 58 16.092 -11.406 5.168 1.00 1.08 H new ATOM 0 HD2 ARG B 58 18.651 -11.599 5.466 1.00 1.12 H new ATOM 0 HD3 ARG B 58 18.320 -12.041 7.129 1.00 1.12 H new ATOM 0 HE ARG B 58 16.743 -13.655 5.324 1.00 1.90 H new ATOM 0 HH11 ARG B 58 20.009 -13.253 6.645 1.00 1.97 H new ATOM 0 HH12 ARG B 58 20.441 -14.944 6.373 1.00 1.97 H new ATOM 0 HH21 ARG B 58 17.317 -15.797 4.968 1.00 3.01 H new ATOM 0 HH22 ARG B 58 18.921 -16.380 5.426 1.00 3.01 H new ATOM 2561 N ASP B 59 15.559 -8.514 8.680 1.00 0.42 N ATOM 2562 CA ASP B 59 14.983 -8.659 10.014 1.00 0.43 C ATOM 2563 C ASP B 59 13.580 -8.077 10.061 1.00 0.37 C ATOM 2564 O ASP B 59 12.649 -8.715 10.554 1.00 0.39 O ATOM 2565 CB ASP B 59 15.855 -7.973 11.066 1.00 0.49 C ATOM 2566 CG ASP B 59 15.293 -8.131 12.466 1.00 0.58 C ATOM 2567 OD1 ASP B 59 15.139 -9.286 12.919 1.00 0.76 O ATOM 2568 OD2 ASP B 59 15.005 -7.107 13.122 1.00 0.78 O ATOM 0 H ASP B 59 16.418 -7.964 8.650 1.00 0.42 H new ATOM 0 HA ASP B 59 14.935 -9.725 10.237 1.00 0.43 H new ATOM 0 HB2 ASP B 59 16.861 -8.391 11.031 1.00 0.49 H new ATOM 0 HB3 ASP B 59 15.942 -6.913 10.828 1.00 0.49 H new ATOM 2573 N SER B 60 13.432 -6.872 9.525 1.00 0.33 N ATOM 2574 CA SER B 60 12.142 -6.203 9.499 1.00 0.33 C ATOM 2575 C SER B 60 11.134 -7.008 8.680 1.00 0.28 C ATOM 2576 O SER B 60 9.957 -7.081 9.030 1.00 0.29 O ATOM 2577 CB SER B 60 12.289 -4.787 8.941 1.00 0.39 C ATOM 2578 OG SER B 60 13.238 -4.044 9.692 1.00 1.41 O ATOM 0 H SER B 60 14.192 -6.339 9.102 1.00 0.33 H new ATOM 0 HA SER B 60 11.767 -6.132 10.520 1.00 0.33 H new ATOM 0 HB2 SER B 60 12.600 -4.833 7.897 1.00 0.39 H new ATOM 0 HB3 SER B 60 11.324 -4.281 8.964 1.00 0.39 H new ATOM 0 HG SER B 60 14.140 -4.373 9.496 1.00 1.41 H new ATOM 2584 N PHE B 61 11.604 -7.627 7.600 1.00 0.30 N ATOM 2585 CA PHE B 61 10.741 -8.442 6.753 1.00 0.32 C ATOM 2586 C PHE B 61 10.270 -9.677 7.509 1.00 0.33 C ATOM 2587 O PHE B 61 9.097 -10.032 7.467 1.00 0.34 O ATOM 2588 CB PHE B 61 11.467 -8.864 5.473 1.00 0.39 C ATOM 2589 CG PHE B 61 11.602 -7.760 4.464 1.00 0.43 C ATOM 2590 CD1 PHE B 61 10.623 -6.788 4.346 1.00 0.62 C ATOM 2591 CD2 PHE B 61 12.707 -7.696 3.633 1.00 0.59 C ATOM 2592 CE1 PHE B 61 10.745 -5.771 3.421 1.00 0.70 C ATOM 2593 CE2 PHE B 61 12.835 -6.682 2.705 1.00 0.65 C ATOM 2594 CZ PHE B 61 11.852 -5.719 2.598 1.00 0.60 C ATOM 0 H PHE B 61 12.575 -7.579 7.292 1.00 0.30 H new ATOM 0 HA PHE B 61 9.876 -7.839 6.477 1.00 0.32 H new ATOM 0 HB2 PHE B 61 12.460 -9.230 5.733 1.00 0.39 H new ATOM 0 HB3 PHE B 61 10.929 -9.696 5.018 1.00 0.39 H new ATOM 0 HD1 PHE B 61 9.753 -6.826 4.985 1.00 0.62 H new ATOM 0 HD2 PHE B 61 13.478 -8.448 3.711 1.00 0.59 H new ATOM 0 HE1 PHE B 61 9.976 -5.017 3.341 1.00 0.70 H new ATOM 0 HE2 PHE B 61 13.703 -6.642 2.064 1.00 0.65 H new ATOM 0 HZ PHE B 61 11.949 -4.926 1.871 1.00 0.60 H new ATOM 2604 N GLN B 62 11.188 -10.319 8.213 1.00 0.35 N ATOM 2605 CA GLN B 62 10.858 -11.506 8.982 1.00 0.41 C ATOM 2606 C GLN B 62 9.901 -11.164 10.121 1.00 0.37 C ATOM 2607 O GLN B 62 8.985 -11.930 10.428 1.00 0.40 O ATOM 2608 CB GLN B 62 12.130 -12.156 9.530 1.00 0.52 C ATOM 2609 CG GLN B 62 13.023 -12.735 8.444 1.00 0.79 C ATOM 2610 CD GLN B 62 12.312 -13.767 7.586 1.00 1.44 C ATOM 2611 OE1 GLN B 62 11.437 -14.550 8.196 1.00 2.08 O flip ATOM 2612 NE2 GLN B 62 12.552 -13.863 6.383 1.00 2.12 N flip ATOM 0 H GLN B 62 12.167 -10.038 8.267 1.00 0.35 H new ATOM 0 HA GLN B 62 10.361 -12.216 8.320 1.00 0.41 H new ATOM 0 HB2 GLN B 62 12.693 -11.415 10.098 1.00 0.52 H new ATOM 0 HB3 GLN B 62 11.854 -12.949 10.226 1.00 0.52 H new ATOM 0 HG2 GLN B 62 13.384 -11.927 7.808 1.00 0.79 H new ATOM 0 HG3 GLN B 62 13.898 -13.193 8.905 1.00 0.79 H new ATOM 0 HE21 GLN B 62 13.233 -13.241 5.948 1.00 2.12 H new ATOM 0 HE22 GLN B 62 12.069 -14.564 5.821 1.00 2.12 H new ATOM 2621 N GLN B 63 10.109 -10.006 10.732 1.00 0.34 N ATOM 2622 CA GLN B 63 9.267 -9.562 11.833 1.00 0.36 C ATOM 2623 C GLN B 63 7.874 -9.167 11.346 1.00 0.29 C ATOM 2624 O GLN B 63 6.875 -9.516 11.974 1.00 0.32 O ATOM 2625 CB GLN B 63 9.917 -8.392 12.573 1.00 0.44 C ATOM 2626 CG GLN B 63 9.107 -7.913 13.766 1.00 0.66 C ATOM 2627 CD GLN B 63 9.887 -6.985 14.667 1.00 0.76 C ATOM 2628 OE1 GLN B 63 9.875 -5.768 14.488 1.00 1.33 O ATOM 2629 NE2 GLN B 63 10.569 -7.555 15.645 1.00 1.23 N ATOM 0 H GLN B 63 10.855 -9.356 10.483 1.00 0.34 H new ATOM 0 HA GLN B 63 9.160 -10.400 12.522 1.00 0.36 H new ATOM 0 HB2 GLN B 63 10.909 -8.691 12.912 1.00 0.44 H new ATOM 0 HB3 GLN B 63 10.054 -7.563 11.879 1.00 0.44 H new ATOM 0 HG2 GLN B 63 8.213 -7.401 13.411 1.00 0.66 H new ATOM 0 HG3 GLN B 63 8.772 -8.776 14.342 1.00 0.66 H new ATOM 0 HE21 GLN B 63 10.550 -8.569 15.756 1.00 1.23 H new ATOM 0 HE22 GLN B 63 11.114 -6.981 16.289 1.00 1.23 H new ATOM 2638 N VAL B 64 7.802 -8.456 10.220 1.00 0.26 N ATOM 2639 CA VAL B 64 6.514 -8.026 9.683 1.00 0.26 C ATOM 2640 C VAL B 64 5.667 -9.229 9.268 1.00 0.26 C ATOM 2641 O VAL B 64 4.436 -9.170 9.293 1.00 0.28 O ATOM 2642 CB VAL B 64 6.664 -7.036 8.499 1.00 0.28 C ATOM 2643 CG1 VAL B 64 7.097 -7.739 7.220 1.00 0.31 C ATOM 2644 CG2 VAL B 64 5.367 -6.273 8.279 1.00 0.30 C ATOM 0 H VAL B 64 8.611 -8.169 9.669 1.00 0.26 H new ATOM 0 HA VAL B 64 6.003 -7.493 10.485 1.00 0.26 H new ATOM 0 HB VAL B 64 7.451 -6.328 8.761 1.00 0.28 H new ATOM 0 HG11 VAL B 64 7.190 -7.008 6.417 1.00 0.31 H new ATOM 0 HG12 VAL B 64 8.059 -8.226 7.380 1.00 0.31 H new ATOM 0 HG13 VAL B 64 6.353 -8.487 6.946 1.00 0.31 H new ATOM 0 HG21 VAL B 64 5.488 -5.582 7.445 1.00 0.30 H new ATOM 0 HG22 VAL B 64 4.565 -6.976 8.054 1.00 0.30 H new ATOM 0 HG23 VAL B 64 5.117 -5.713 9.180 1.00 0.30 H new ATOM 2654 N VAL B 65 6.332 -10.321 8.897 1.00 0.29 N ATOM 2655 CA VAL B 65 5.636 -11.542 8.513 1.00 0.33 C ATOM 2656 C VAL B 65 4.981 -12.166 9.743 1.00 0.37 C ATOM 2657 O VAL B 65 3.897 -12.739 9.661 1.00 0.45 O ATOM 2658 CB VAL B 65 6.590 -12.563 7.842 1.00 0.40 C ATOM 2659 CG1 VAL B 65 5.942 -13.932 7.718 1.00 0.48 C ATOM 2660 CG2 VAL B 65 7.019 -12.069 6.473 1.00 0.39 C ATOM 0 H VAL B 65 7.349 -10.383 8.855 1.00 0.29 H new ATOM 0 HA VAL B 65 4.872 -11.278 7.781 1.00 0.33 H new ATOM 0 HB VAL B 65 7.469 -12.660 8.480 1.00 0.40 H new ATOM 0 HG11 VAL B 65 6.639 -14.623 7.243 1.00 0.48 H new ATOM 0 HG12 VAL B 65 5.682 -14.303 8.710 1.00 0.48 H new ATOM 0 HG13 VAL B 65 5.039 -13.854 7.112 1.00 0.48 H new ATOM 0 HG21 VAL B 65 7.688 -12.798 6.016 1.00 0.39 H new ATOM 0 HG22 VAL B 65 6.140 -11.938 5.842 1.00 0.39 H new ATOM 0 HG23 VAL B 65 7.537 -11.116 6.576 1.00 0.39 H new ATOM 2670 N LYS B 66 5.638 -12.020 10.888 1.00 0.37 N ATOM 2671 CA LYS B 66 5.122 -12.553 12.142 1.00 0.45 C ATOM 2672 C LYS B 66 3.991 -11.676 12.665 1.00 0.41 C ATOM 2673 O LYS B 66 3.044 -12.168 13.279 1.00 0.49 O ATOM 2674 CB LYS B 66 6.236 -12.636 13.187 1.00 0.57 C ATOM 2675 CG LYS B 66 7.306 -13.664 12.864 1.00 0.74 C ATOM 2676 CD LYS B 66 8.451 -13.608 13.863 1.00 0.67 C ATOM 2677 CE LYS B 66 7.995 -13.970 15.267 1.00 1.44 C ATOM 2678 NZ LYS B 66 9.064 -13.746 16.275 1.00 2.19 N ATOM 0 H LYS B 66 6.532 -11.535 10.973 1.00 0.37 H new ATOM 0 HA LYS B 66 4.738 -13.556 11.955 1.00 0.45 H new ATOM 0 HB2 LYS B 66 6.704 -11.656 13.283 1.00 0.57 H new ATOM 0 HB3 LYS B 66 5.796 -12.876 14.155 1.00 0.57 H new ATOM 0 HG2 LYS B 66 6.867 -14.662 12.868 1.00 0.74 H new ATOM 0 HG3 LYS B 66 7.690 -13.488 11.859 1.00 0.74 H new ATOM 0 HD2 LYS B 66 9.240 -14.292 13.550 1.00 0.67 H new ATOM 0 HD3 LYS B 66 8.880 -12.606 13.868 1.00 0.67 H new ATOM 0 HE2 LYS B 66 7.120 -13.375 15.529 1.00 1.44 H new ATOM 0 HE3 LYS B 66 7.688 -15.016 15.290 1.00 1.44 H new ATOM 0 HZ1 LYS B 66 8.711 -14.005 17.218 1.00 2.19 H new ATOM 0 HZ2 LYS B 66 9.890 -14.333 16.041 1.00 2.19 H new ATOM 0 HZ3 LYS B 66 9.339 -12.743 16.272 1.00 2.19 H new ATOM 2692 N LEU B 67 4.105 -10.372 12.417 1.00 0.39 N ATOM 2693 CA LEU B 67 3.099 -9.409 12.854 1.00 0.43 C ATOM 2694 C LEU B 67 1.742 -9.732 12.240 1.00 0.62 C ATOM 2695 O LEU B 67 0.748 -9.868 12.953 1.00 1.30 O ATOM 2696 CB LEU B 67 3.518 -7.987 12.470 1.00 0.59 C ATOM 2697 CG LEU B 67 4.772 -7.459 13.170 1.00 0.54 C ATOM 2698 CD1 LEU B 67 5.160 -6.099 12.608 1.00 0.74 C ATOM 2699 CD2 LEU B 67 4.549 -7.370 14.673 1.00 0.79 C ATOM 0 H LEU B 67 4.889 -9.958 11.913 1.00 0.39 H new ATOM 0 HA LEU B 67 3.017 -9.474 13.939 1.00 0.43 H new ATOM 0 HB2 LEU B 67 3.683 -7.954 11.393 1.00 0.59 H new ATOM 0 HB3 LEU B 67 2.690 -7.312 12.687 1.00 0.59 H new ATOM 0 HG LEU B 67 5.589 -8.156 12.985 1.00 0.54 H new ATOM 0 HD11 LEU B 67 6.054 -5.737 13.116 1.00 0.74 H new ATOM 0 HD12 LEU B 67 5.361 -6.190 11.541 1.00 0.74 H new ATOM 0 HD13 LEU B 67 4.343 -5.394 12.764 1.00 0.74 H new ATOM 0 HD21 LEU B 67 5.452 -6.993 15.153 1.00 0.79 H new ATOM 0 HD22 LEU B 67 3.719 -6.694 14.878 1.00 0.79 H new ATOM 0 HD23 LEU B 67 4.316 -8.360 15.066 1.00 0.79 H new ATOM 2711 N LYS B 68 1.726 -9.856 10.913 1.00 0.48 N ATOM 2712 CA LYS B 68 0.513 -10.175 10.159 1.00 0.55 C ATOM 2713 C LYS B 68 -0.604 -9.163 10.405 1.00 0.47 C ATOM 2714 O LYS B 68 -1.370 -9.279 11.364 1.00 0.50 O ATOM 2715 CB LYS B 68 0.027 -11.589 10.488 1.00 0.69 C ATOM 2716 CG LYS B 68 0.855 -12.679 9.834 1.00 0.56 C ATOM 2717 CD LYS B 68 0.193 -14.039 9.972 1.00 0.67 C ATOM 2718 CE LYS B 68 1.039 -15.136 9.349 1.00 0.69 C ATOM 2719 NZ LYS B 68 0.317 -16.434 9.306 1.00 1.04 N ATOM 0 H LYS B 68 2.554 -9.738 10.330 1.00 0.48 H new ATOM 0 HA LYS B 68 0.774 -10.124 9.102 1.00 0.55 H new ATOM 0 HB2 LYS B 68 0.045 -11.729 11.569 1.00 0.69 H new ATOM 0 HB3 LYS B 68 -1.011 -11.691 10.170 1.00 0.69 H new ATOM 0 HG2 LYS B 68 0.995 -12.447 8.778 1.00 0.56 H new ATOM 0 HG3 LYS B 68 1.845 -12.707 10.289 1.00 0.56 H new ATOM 0 HD2 LYS B 68 0.029 -14.259 11.027 1.00 0.67 H new ATOM 0 HD3 LYS B 68 -0.787 -14.018 9.494 1.00 0.67 H new ATOM 0 HE2 LYS B 68 1.324 -14.845 8.338 1.00 0.69 H new ATOM 0 HE3 LYS B 68 1.961 -15.252 9.919 1.00 0.69 H new ATOM 0 HZ1 LYS B 68 0.991 -17.199 9.101 1.00 1.04 H new ATOM 0 HZ2 LYS B 68 -0.137 -16.609 10.225 1.00 1.04 H new ATOM 0 HZ3 LYS B 68 -0.409 -16.403 8.562 1.00 1.04 H new ATOM 2733 N GLY B 69 -0.693 -8.170 9.535 1.00 0.50 N ATOM 2734 CA GLY B 69 -1.727 -7.163 9.662 1.00 0.59 C ATOM 2735 C GLY B 69 -1.226 -5.903 10.328 1.00 0.54 C ATOM 2736 O GLY B 69 -2.013 -5.038 10.712 1.00 0.57 O ATOM 0 H GLY B 69 -0.066 -8.042 8.741 1.00 0.50 H new ATOM 0 HA2 GLY B 69 -2.115 -6.918 8.673 1.00 0.59 H new ATOM 0 HA3 GLY B 69 -2.558 -7.570 10.239 1.00 0.59 H new ATOM 2740 N GLN B 70 0.087 -5.793 10.459 1.00 0.50 N ATOM 2741 CA GLN B 70 0.689 -4.630 11.083 1.00 0.46 C ATOM 2742 C GLN B 70 1.765 -4.047 10.181 1.00 0.38 C ATOM 2743 O GLN B 70 2.338 -4.752 9.350 1.00 0.37 O ATOM 2744 CB GLN B 70 1.267 -4.997 12.452 1.00 0.50 C ATOM 2745 CG GLN B 70 1.325 -3.823 13.420 1.00 1.31 C ATOM 2746 CD GLN B 70 0.184 -2.843 13.207 1.00 1.89 C ATOM 2747 OE1 GLN B 70 0.333 -1.846 12.496 1.00 2.68 O ATOM 2748 NE2 GLN B 70 -0.966 -3.127 13.799 1.00 2.32 N ATOM 0 H GLN B 70 0.754 -6.496 10.141 1.00 0.50 H new ATOM 0 HA GLN B 70 -0.082 -3.874 11.231 1.00 0.46 H new ATOM 0 HB2 GLN B 70 0.663 -5.791 12.892 1.00 0.50 H new ATOM 0 HB3 GLN B 70 2.272 -5.398 12.318 1.00 0.50 H new ATOM 0 HG2 GLN B 70 1.294 -4.197 14.443 1.00 1.31 H new ATOM 0 HG3 GLN B 70 2.275 -3.303 13.300 1.00 1.31 H new ATOM 0 HE21 GLN B 70 -1.048 -3.962 14.379 1.00 2.32 H new ATOM 0 HE22 GLN B 70 -1.769 -2.511 13.675 1.00 2.32 H new ATOM 2757 N VAL B 71 2.023 -2.759 10.338 1.00 0.36 N ATOM 2758 CA VAL B 71 3.016 -2.079 9.530 1.00 0.32 C ATOM 2759 C VAL B 71 4.327 -1.902 10.299 1.00 0.31 C ATOM 2760 O VAL B 71 4.338 -1.451 11.448 1.00 0.39 O ATOM 2761 CB VAL B 71 2.491 -0.706 9.043 1.00 0.38 C ATOM 2762 CG1 VAL B 71 2.144 0.204 10.213 1.00 1.28 C ATOM 2763 CG2 VAL B 71 3.499 -0.037 8.125 1.00 1.35 C ATOM 0 H VAL B 71 1.555 -2.163 11.021 1.00 0.36 H new ATOM 0 HA VAL B 71 3.212 -2.703 8.658 1.00 0.32 H new ATOM 0 HB VAL B 71 1.576 -0.885 8.478 1.00 0.38 H new ATOM 0 HG11 VAL B 71 1.779 1.159 9.835 1.00 1.28 H new ATOM 0 HG12 VAL B 71 1.371 -0.265 10.822 1.00 1.28 H new ATOM 0 HG13 VAL B 71 3.033 0.370 10.821 1.00 1.28 H new ATOM 0 HG21 VAL B 71 3.108 0.926 7.796 1.00 1.35 H new ATOM 0 HG22 VAL B 71 4.435 0.116 8.662 1.00 1.35 H new ATOM 0 HG23 VAL B 71 3.678 -0.672 7.257 1.00 1.35 H new ATOM 2773 N LEU B 72 5.422 -2.293 9.668 1.00 0.27 N ATOM 2774 CA LEU B 72 6.739 -2.161 10.260 1.00 0.29 C ATOM 2775 C LEU B 72 7.609 -1.287 9.368 1.00 0.31 C ATOM 2776 O LEU B 72 8.021 -1.698 8.281 1.00 0.44 O ATOM 2777 CB LEU B 72 7.388 -3.533 10.460 1.00 0.35 C ATOM 2778 CG LEU B 72 8.766 -3.506 11.121 1.00 0.44 C ATOM 2779 CD1 LEU B 72 8.709 -2.785 12.460 1.00 1.37 C ATOM 2780 CD2 LEU B 72 9.294 -4.917 11.300 1.00 1.05 C ATOM 0 H LEU B 72 5.422 -2.708 8.736 1.00 0.27 H new ATOM 0 HA LEU B 72 6.640 -1.693 11.239 1.00 0.29 H new ATOM 0 HB2 LEU B 72 6.723 -4.148 11.066 1.00 0.35 H new ATOM 0 HB3 LEU B 72 7.477 -4.021 9.489 1.00 0.35 H new ATOM 0 HG LEU B 72 9.447 -2.959 10.469 1.00 0.44 H new ATOM 0 HD11 LEU B 72 9.701 -2.778 12.912 1.00 1.37 H new ATOM 0 HD12 LEU B 72 8.373 -1.759 12.307 1.00 1.37 H new ATOM 0 HD13 LEU B 72 8.012 -3.300 13.121 1.00 1.37 H new ATOM 0 HD21 LEU B 72 10.276 -4.881 11.772 1.00 1.05 H new ATOM 0 HD22 LEU B 72 8.609 -5.485 11.930 1.00 1.05 H new ATOM 0 HD23 LEU B 72 9.377 -5.401 10.327 1.00 1.05 H new ATOM 2792 N SER B 73 7.853 -0.072 9.821 1.00 0.27 N ATOM 2793 CA SER B 73 8.657 0.877 9.074 1.00 0.33 C ATOM 2794 C SER B 73 10.145 0.672 9.338 1.00 0.28 C ATOM 2795 O SER B 73 10.607 0.770 10.476 1.00 0.31 O ATOM 2796 CB SER B 73 8.244 2.300 9.444 1.00 0.48 C ATOM 2797 OG SER B 73 6.831 2.429 9.446 1.00 1.38 O ATOM 0 H SER B 73 7.503 0.283 10.711 1.00 0.27 H new ATOM 0 HA SER B 73 8.484 0.713 8.010 1.00 0.33 H new ATOM 0 HB2 SER B 73 8.638 2.554 10.428 1.00 0.48 H new ATOM 0 HB3 SER B 73 8.677 3.005 8.735 1.00 0.48 H new ATOM 0 HG SER B 73 6.587 3.347 9.687 1.00 1.38 H new ATOM 2803 N VAL B 74 10.885 0.368 8.285 1.00 0.29 N ATOM 2804 CA VAL B 74 12.321 0.169 8.393 1.00 0.28 C ATOM 2805 C VAL B 74 13.060 1.332 7.736 1.00 0.23 C ATOM 2806 O VAL B 74 12.866 1.619 6.557 1.00 0.24 O ATOM 2807 CB VAL B 74 12.763 -1.179 7.764 1.00 0.34 C ATOM 2808 CG1 VAL B 74 12.162 -1.369 6.380 1.00 0.35 C ATOM 2809 CG2 VAL B 74 14.279 -1.282 7.698 1.00 0.41 C ATOM 0 H VAL B 74 10.514 0.253 7.342 1.00 0.29 H new ATOM 0 HA VAL B 74 12.576 0.134 9.452 1.00 0.28 H new ATOM 0 HB VAL B 74 12.390 -1.975 8.409 1.00 0.34 H new ATOM 0 HG11 VAL B 74 12.492 -2.323 5.968 1.00 0.35 H new ATOM 0 HG12 VAL B 74 11.074 -1.361 6.451 1.00 0.35 H new ATOM 0 HG13 VAL B 74 12.489 -0.559 5.727 1.00 0.35 H new ATOM 0 HG21 VAL B 74 14.560 -2.237 7.253 1.00 0.41 H new ATOM 0 HG22 VAL B 74 14.673 -0.468 7.089 1.00 0.41 H new ATOM 0 HG23 VAL B 74 14.692 -1.215 8.704 1.00 0.41 H new ATOM 2819 N MET B 75 13.884 2.017 8.510 1.00 0.21 N ATOM 2820 CA MET B 75 14.637 3.150 7.995 1.00 0.20 C ATOM 2821 C MET B 75 16.064 2.731 7.668 1.00 0.20 C ATOM 2822 O MET B 75 16.866 2.457 8.563 1.00 0.24 O ATOM 2823 CB MET B 75 14.634 4.306 9.000 1.00 0.26 C ATOM 2824 CG MET B 75 15.409 5.529 8.530 1.00 0.29 C ATOM 2825 SD MET B 75 15.135 6.971 9.576 1.00 0.41 S ATOM 2826 CE MET B 75 16.374 8.094 8.931 1.00 0.41 C ATOM 0 H MET B 75 14.049 1.810 9.495 1.00 0.21 H new ATOM 0 HA MET B 75 14.156 3.495 7.079 1.00 0.20 H new ATOM 0 HB2 MET B 75 13.603 4.596 9.203 1.00 0.26 H new ATOM 0 HB3 MET B 75 15.058 3.958 9.942 1.00 0.26 H new ATOM 0 HG2 MET B 75 16.473 5.295 8.513 1.00 0.29 H new ATOM 0 HG3 MET B 75 15.118 5.767 7.507 1.00 0.29 H new ATOM 0 HE1 MET B 75 16.331 9.036 9.478 1.00 0.41 H new ATOM 0 HE2 MET B 75 17.363 7.651 9.049 1.00 0.41 H new ATOM 0 HE3 MET B 75 16.183 8.279 7.874 1.00 0.41 H new ATOM 2836 N PHE B 76 16.372 2.683 6.385 1.00 0.21 N ATOM 2837 CA PHE B 76 17.694 2.288 5.926 1.00 0.23 C ATOM 2838 C PHE B 76 18.085 3.091 4.691 1.00 0.22 C ATOM 2839 O PHE B 76 17.312 3.919 4.210 1.00 0.21 O ATOM 2840 CB PHE B 76 17.714 0.788 5.606 1.00 0.26 C ATOM 2841 CG PHE B 76 16.877 0.411 4.416 1.00 0.27 C ATOM 2842 CD1 PHE B 76 15.504 0.279 4.531 1.00 0.31 C ATOM 2843 CD2 PHE B 76 17.465 0.191 3.182 1.00 0.31 C ATOM 2844 CE1 PHE B 76 14.734 -0.063 3.438 1.00 0.37 C ATOM 2845 CE2 PHE B 76 16.701 -0.151 2.086 1.00 0.36 C ATOM 2846 CZ PHE B 76 15.333 -0.278 2.214 1.00 0.38 C ATOM 0 H PHE B 76 15.720 2.914 5.636 1.00 0.21 H new ATOM 0 HA PHE B 76 18.415 2.490 6.718 1.00 0.23 H new ATOM 0 HB2 PHE B 76 18.744 0.478 5.427 1.00 0.26 H new ATOM 0 HB3 PHE B 76 17.361 0.235 6.477 1.00 0.26 H new ATOM 0 HD1 PHE B 76 15.030 0.446 5.487 1.00 0.31 H new ATOM 0 HD2 PHE B 76 18.535 0.288 3.076 1.00 0.31 H new ATOM 0 HE1 PHE B 76 13.663 -0.162 3.541 1.00 0.37 H new ATOM 0 HE2 PHE B 76 17.173 -0.319 1.129 1.00 0.36 H new ATOM 0 HZ PHE B 76 14.732 -0.545 1.357 1.00 0.38 H new ATOM 2856 N ARG B 77 19.286 2.854 4.185 1.00 0.25 N ATOM 2857 CA ARG B 77 19.754 3.550 2.998 1.00 0.25 C ATOM 2858 C ARG B 77 19.534 2.698 1.756 1.00 0.23 C ATOM 2859 O ARG B 77 20.062 1.590 1.643 1.00 0.26 O ATOM 2860 CB ARG B 77 21.228 3.928 3.135 1.00 0.30 C ATOM 2861 CG ARG B 77 21.433 5.336 3.665 1.00 0.48 C ATOM 2862 CD ARG B 77 22.899 5.729 3.668 1.00 0.63 C ATOM 2863 NE ARG B 77 23.628 5.145 4.790 1.00 1.50 N ATOM 2864 CZ ARG B 77 24.763 5.643 5.276 1.00 1.87 C ATOM 2865 NH1 ARG B 77 25.275 6.759 4.772 1.00 1.59 N ATOM 2866 NH2 ARG B 77 25.381 5.033 6.281 1.00 2.97 N ATOM 0 H ARG B 77 19.951 2.187 4.577 1.00 0.25 H new ATOM 0 HA ARG B 77 19.176 4.468 2.893 1.00 0.25 H new ATOM 0 HB2 ARG B 77 21.718 3.220 3.803 1.00 0.30 H new ATOM 0 HB3 ARG B 77 21.712 3.838 2.163 1.00 0.30 H new ATOM 0 HG2 ARG B 77 20.869 6.040 3.053 1.00 0.48 H new ATOM 0 HG3 ARG B 77 21.036 5.405 4.678 1.00 0.48 H new ATOM 0 HD2 ARG B 77 23.360 5.410 2.733 1.00 0.63 H new ATOM 0 HD3 ARG B 77 22.981 6.815 3.710 1.00 0.63 H new ATOM 0 HE ARG B 77 23.245 4.307 5.227 1.00 1.50 H new ATOM 0 HH11 ARG B 77 24.799 7.239 4.009 1.00 1.59 H new ATOM 0 HH12 ARG B 77 26.145 7.136 5.148 1.00 1.59 H new ATOM 0 HH21 ARG B 77 24.986 4.182 6.681 1.00 2.97 H new ATOM 0 HH22 ARG B 77 26.251 5.416 6.652 1.00 2.97 H new ATOM 2880 N PHE B 78 18.748 3.222 0.831 1.00 0.24 N ATOM 2881 CA PHE B 78 18.436 2.522 -0.405 1.00 0.23 C ATOM 2882 C PHE B 78 19.269 3.083 -1.551 1.00 0.21 C ATOM 2883 O PHE B 78 19.722 4.229 -1.493 1.00 0.22 O ATOM 2884 CB PHE B 78 16.943 2.663 -0.717 1.00 0.27 C ATOM 2885 CG PHE B 78 16.413 1.640 -1.685 1.00 0.27 C ATOM 2886 CD1 PHE B 78 16.302 0.309 -1.316 1.00 0.34 C ATOM 2887 CD2 PHE B 78 16.015 2.014 -2.959 1.00 0.33 C ATOM 2888 CE1 PHE B 78 15.809 -0.630 -2.201 1.00 0.37 C ATOM 2889 CE2 PHE B 78 15.519 1.079 -3.847 1.00 0.37 C ATOM 2890 CZ PHE B 78 15.415 -0.245 -3.467 1.00 0.33 C ATOM 0 H PHE B 78 18.310 4.139 0.914 1.00 0.24 H new ATOM 0 HA PHE B 78 18.676 1.465 -0.286 1.00 0.23 H new ATOM 0 HB2 PHE B 78 16.381 2.590 0.214 1.00 0.27 H new ATOM 0 HB3 PHE B 78 16.761 3.658 -1.123 1.00 0.27 H new ATOM 0 HD1 PHE B 78 16.604 0.002 -0.326 1.00 0.34 H new ATOM 0 HD2 PHE B 78 16.094 3.048 -3.261 1.00 0.33 H new ATOM 0 HE1 PHE B 78 15.732 -1.665 -1.903 1.00 0.37 H new ATOM 0 HE2 PHE B 78 15.213 1.383 -4.837 1.00 0.37 H new ATOM 0 HZ PHE B 78 15.026 -0.978 -4.159 1.00 0.33 H new ATOM 2900 N ARG B 79 19.481 2.268 -2.575 1.00 0.25 N ATOM 2901 CA ARG B 79 20.246 2.675 -3.744 1.00 0.26 C ATOM 2902 C ARG B 79 19.310 3.237 -4.807 1.00 0.26 C ATOM 2903 O ARG B 79 18.351 2.581 -5.209 1.00 0.36 O ATOM 2904 CB ARG B 79 21.020 1.477 -4.304 1.00 0.36 C ATOM 2905 CG ARG B 79 22.129 1.849 -5.276 1.00 0.33 C ATOM 2906 CD ARG B 79 22.929 0.624 -5.698 1.00 0.56 C ATOM 2907 NE ARG B 79 22.385 -0.010 -6.903 1.00 1.04 N ATOM 2908 CZ ARG B 79 22.287 -1.331 -7.075 1.00 1.28 C ATOM 2909 NH1 ARG B 79 22.689 -2.164 -6.120 1.00 1.06 N ATOM 2910 NH2 ARG B 79 21.794 -1.819 -8.209 1.00 2.22 N ATOM 0 H ARG B 79 19.130 1.311 -2.619 1.00 0.25 H new ATOM 0 HA ARG B 79 20.956 3.450 -3.454 1.00 0.26 H new ATOM 0 HB2 ARG B 79 21.452 0.918 -3.474 1.00 0.36 H new ATOM 0 HB3 ARG B 79 20.320 0.810 -4.807 1.00 0.36 H new ATOM 0 HG2 ARG B 79 21.699 2.326 -6.157 1.00 0.33 H new ATOM 0 HG3 ARG B 79 22.793 2.578 -4.811 1.00 0.33 H new ATOM 0 HD2 ARG B 79 23.964 0.914 -5.879 1.00 0.56 H new ATOM 0 HD3 ARG B 79 22.938 -0.099 -4.883 1.00 0.56 H new ATOM 0 HE ARG B 79 22.061 0.596 -7.657 1.00 1.04 H new ATOM 0 HH11 ARG B 79 23.075 -1.795 -5.251 1.00 1.06 H new ATOM 0 HH12 ARG B 79 22.612 -3.172 -6.257 1.00 1.06 H new ATOM 0 HH21 ARG B 79 21.491 -1.185 -8.948 1.00 2.22 H new ATOM 0 HH22 ARG B 79 21.719 -2.828 -8.340 1.00 2.22 H new ATOM 2924 N SER B 80 19.577 4.458 -5.245 1.00 0.25 N ATOM 2925 CA SER B 80 18.751 5.093 -6.262 1.00 0.33 C ATOM 2926 C SER B 80 19.264 4.752 -7.656 1.00 0.32 C ATOM 2927 O SER B 80 20.225 3.994 -7.806 1.00 0.32 O ATOM 2928 CB SER B 80 18.754 6.613 -6.071 1.00 0.46 C ATOM 2929 OG SER B 80 20.044 7.159 -6.305 1.00 1.06 O ATOM 0 H SER B 80 20.356 5.028 -4.914 1.00 0.25 H new ATOM 0 HA SER B 80 17.732 4.719 -6.159 1.00 0.33 H new ATOM 0 HB2 SER B 80 18.035 7.069 -6.751 1.00 0.46 H new ATOM 0 HB3 SER B 80 18.432 6.855 -5.058 1.00 0.46 H new ATOM 0 HG SER B 80 19.958 8.004 -6.794 1.00 1.06 H new ATOM 2935 N LYS B 81 18.623 5.320 -8.673 1.00 0.35 N ATOM 2936 CA LYS B 81 19.036 5.103 -10.055 1.00 0.37 C ATOM 2937 C LYS B 81 20.392 5.767 -10.291 1.00 0.40 C ATOM 2938 O LYS B 81 21.102 5.459 -11.245 1.00 0.48 O ATOM 2939 CB LYS B 81 17.983 5.673 -11.016 1.00 0.41 C ATOM 2940 CG LYS B 81 18.270 5.412 -12.489 1.00 0.45 C ATOM 2941 CD LYS B 81 18.345 3.925 -12.793 1.00 0.47 C ATOM 2942 CE LYS B 81 18.674 3.667 -14.255 1.00 0.67 C ATOM 2943 NZ LYS B 81 18.781 2.214 -14.551 1.00 1.69 N ATOM 0 H LYS B 81 17.816 5.934 -8.566 1.00 0.35 H new ATOM 0 HA LYS B 81 19.128 4.033 -10.242 1.00 0.37 H new ATOM 0 HB2 LYS B 81 17.012 5.246 -10.766 1.00 0.41 H new ATOM 0 HB3 LYS B 81 17.909 6.749 -10.858 1.00 0.41 H new ATOM 0 HG2 LYS B 81 17.490 5.869 -13.098 1.00 0.45 H new ATOM 0 HG3 LYS B 81 19.211 5.888 -12.766 1.00 0.45 H new ATOM 0 HD2 LYS B 81 19.104 3.462 -12.162 1.00 0.47 H new ATOM 0 HD3 LYS B 81 17.394 3.454 -12.545 1.00 0.47 H new ATOM 0 HE2 LYS B 81 17.902 4.110 -14.884 1.00 0.67 H new ATOM 0 HE3 LYS B 81 19.613 4.159 -14.508 1.00 0.67 H new ATOM 0 HZ1 LYS B 81 19.364 2.075 -15.401 1.00 1.69 H new ATOM 0 HZ2 LYS B 81 19.222 1.727 -13.745 1.00 1.69 H new ATOM 0 HZ3 LYS B 81 17.832 1.822 -14.715 1.00 1.69 H new ATOM 2957 N ASN B 82 20.747 6.670 -9.385 1.00 0.39 N ATOM 2958 CA ASN B 82 22.010 7.388 -9.457 1.00 0.45 C ATOM 2959 C ASN B 82 23.086 6.627 -8.691 1.00 0.43 C ATOM 2960 O ASN B 82 24.213 7.102 -8.546 1.00 0.50 O ATOM 2961 CB ASN B 82 21.859 8.797 -8.869 1.00 0.53 C ATOM 2962 CG ASN B 82 20.656 9.547 -9.416 1.00 0.95 C ATOM 2963 OD1 ASN B 82 20.320 9.443 -10.597 1.00 1.75 O ATOM 2964 ND2 ASN B 82 19.982 10.291 -8.553 1.00 0.81 N ATOM 0 H ASN B 82 20.169 6.923 -8.584 1.00 0.39 H new ATOM 0 HA ASN B 82 22.302 7.471 -10.504 1.00 0.45 H new ATOM 0 HB2 ASN B 82 21.772 8.724 -7.785 1.00 0.53 H new ATOM 0 HB3 ASN B 82 22.762 9.370 -9.078 1.00 0.53 H new ATOM 0 HD21 ASN B 82 19.154 10.802 -8.858 1.00 0.81 H new ATOM 0 HD22 ASN B 82 20.291 10.353 -7.583 1.00 0.81 H new ATOM 2971 N GLN B 83 22.712 5.448 -8.189 1.00 0.37 N ATOM 2972 CA GLN B 83 23.612 4.585 -7.422 1.00 0.40 C ATOM 2973 C GLN B 83 24.049 5.256 -6.124 1.00 0.37 C ATOM 2974 O GLN B 83 25.068 4.896 -5.536 1.00 0.46 O ATOM 2975 CB GLN B 83 24.836 4.186 -8.256 1.00 0.53 C ATOM 2976 CG GLN B 83 24.759 2.774 -8.816 1.00 0.63 C ATOM 2977 CD GLN B 83 23.487 2.520 -9.602 1.00 0.90 C ATOM 2978 OE1 GLN B 83 22.476 2.088 -9.048 1.00 1.62 O ATOM 2979 NE2 GLN B 83 23.526 2.791 -10.896 1.00 0.87 N ATOM 0 H GLN B 83 21.774 5.064 -8.303 1.00 0.37 H new ATOM 0 HA GLN B 83 23.060 3.680 -7.167 1.00 0.40 H new ATOM 0 HB2 GLN B 83 24.947 4.889 -9.081 1.00 0.53 H new ATOM 0 HB3 GLN B 83 25.730 4.275 -7.639 1.00 0.53 H new ATOM 0 HG2 GLN B 83 25.620 2.597 -9.460 1.00 0.63 H new ATOM 0 HG3 GLN B 83 24.822 2.059 -7.996 1.00 0.63 H new ATOM 0 HE21 GLN B 83 24.384 3.148 -11.317 1.00 0.87 H new ATOM 0 HE22 GLN B 83 22.698 2.643 -11.473 1.00 0.87 H new ATOM 2988 N GLU B 84 23.263 6.221 -5.670 1.00 0.37 N ATOM 2989 CA GLU B 84 23.571 6.937 -4.444 1.00 0.38 C ATOM 2990 C GLU B 84 22.810 6.321 -3.278 1.00 0.31 C ATOM 2991 O GLU B 84 21.860 5.563 -3.482 1.00 0.42 O ATOM 2992 CB GLU B 84 23.226 8.425 -4.591 1.00 0.53 C ATOM 2993 CG GLU B 84 21.784 8.764 -4.242 1.00 1.22 C ATOM 2994 CD GLU B 84 21.289 10.020 -4.927 1.00 2.08 C ATOM 2995 OE1 GLU B 84 21.711 11.131 -4.533 1.00 2.45 O ATOM 2996 OE2 GLU B 84 20.466 9.902 -5.856 1.00 2.78 O ATOM 0 H GLU B 84 22.407 6.525 -6.134 1.00 0.37 H new ATOM 0 HA GLU B 84 24.640 6.855 -4.246 1.00 0.38 H new ATOM 0 HB2 GLU B 84 23.890 9.006 -3.951 1.00 0.53 H new ATOM 0 HB3 GLU B 84 23.422 8.733 -5.618 1.00 0.53 H new ATOM 0 HG2 GLU B 84 21.142 7.928 -4.521 1.00 1.22 H new ATOM 0 HG3 GLU B 84 21.697 8.887 -3.162 1.00 1.22 H new ATOM 3003 N TRP B 85 23.234 6.636 -2.065 1.00 0.32 N ATOM 3004 CA TRP B 85 22.581 6.113 -0.879 1.00 0.33 C ATOM 3005 C TRP B 85 21.678 7.170 -0.258 1.00 0.33 C ATOM 3006 O TRP B 85 22.139 8.243 0.136 1.00 0.45 O ATOM 3007 CB TRP B 85 23.617 5.643 0.143 1.00 0.41 C ATOM 3008 CG TRP B 85 24.505 4.550 -0.365 1.00 0.42 C ATOM 3009 CD1 TRP B 85 25.854 4.616 -0.553 1.00 0.66 C ATOM 3010 CD2 TRP B 85 24.109 3.229 -0.755 1.00 0.50 C ATOM 3011 NE1 TRP B 85 26.322 3.417 -1.034 1.00 0.63 N ATOM 3012 CE2 TRP B 85 25.271 2.549 -1.164 1.00 0.50 C ATOM 3013 CE3 TRP B 85 22.886 2.554 -0.789 1.00 0.84 C ATOM 3014 CZ2 TRP B 85 25.243 1.230 -1.612 1.00 0.67 C ATOM 3015 CZ3 TRP B 85 22.859 1.246 -1.233 1.00 1.10 C ATOM 3016 CH2 TRP B 85 24.031 0.595 -1.635 1.00 0.97 C ATOM 0 H TRP B 85 24.026 7.250 -1.877 1.00 0.32 H new ATOM 0 HA TRP B 85 21.971 5.260 -1.175 1.00 0.33 H new ATOM 0 HB2 TRP B 85 24.233 6.492 0.441 1.00 0.41 H new ATOM 0 HB3 TRP B 85 23.101 5.295 1.038 1.00 0.41 H new ATOM 0 HD1 TRP B 85 26.465 5.484 -0.353 1.00 0.66 H new ATOM 0 HE1 TRP B 85 27.295 3.207 -1.258 1.00 0.63 H new ATOM 0 HE3 TRP B 85 21.978 3.046 -0.474 1.00 0.84 H new ATOM 0 HZ2 TRP B 85 26.145 0.727 -1.929 1.00 0.67 H new ATOM 0 HZ3 TRP B 85 21.918 0.717 -1.271 1.00 1.10 H new ATOM 0 HH2 TRP B 85 23.978 -0.430 -1.970 1.00 0.97 H new ATOM 3027 N LEU B 86 20.390 6.873 -0.195 1.00 0.28 N ATOM 3028 CA LEU B 86 19.425 7.792 0.385 1.00 0.29 C ATOM 3029 C LEU B 86 18.674 7.120 1.525 1.00 0.26 C ATOM 3030 O LEU B 86 18.330 5.939 1.445 1.00 0.28 O ATOM 3031 CB LEU B 86 18.436 8.297 -0.674 1.00 0.34 C ATOM 3032 CG LEU B 86 17.614 7.215 -1.377 1.00 0.42 C ATOM 3033 CD1 LEU B 86 16.197 7.703 -1.636 1.00 0.96 C ATOM 3034 CD2 LEU B 86 18.277 6.811 -2.681 1.00 1.03 C ATOM 0 H LEU B 86 19.988 6.001 -0.539 1.00 0.28 H new ATOM 0 HA LEU B 86 19.971 8.650 0.777 1.00 0.29 H new ATOM 0 HB2 LEU B 86 17.750 8.999 -0.200 1.00 0.34 H new ATOM 0 HB3 LEU B 86 18.992 8.854 -1.428 1.00 0.34 H new ATOM 0 HG LEU B 86 17.565 6.343 -0.725 1.00 0.42 H new ATOM 0 HD11 LEU B 86 15.628 6.919 -2.137 1.00 0.96 H new ATOM 0 HD12 LEU B 86 15.718 7.950 -0.688 1.00 0.96 H new ATOM 0 HD13 LEU B 86 16.228 8.590 -2.269 1.00 0.96 H new ATOM 0 HD21 LEU B 86 17.680 6.041 -3.169 1.00 1.03 H new ATOM 0 HD22 LEU B 86 18.353 7.680 -3.335 1.00 1.03 H new ATOM 0 HD23 LEU B 86 19.275 6.422 -2.477 1.00 1.03 H new ATOM 3046 N TRP B 87 18.439 7.870 2.590 1.00 0.28 N ATOM 3047 CA TRP B 87 17.726 7.350 3.744 1.00 0.29 C ATOM 3048 C TRP B 87 16.240 7.236 3.438 1.00 0.29 C ATOM 3049 O TRP B 87 15.571 8.235 3.167 1.00 0.39 O ATOM 3050 CB TRP B 87 17.951 8.243 4.964 1.00 0.33 C ATOM 3051 CG TRP B 87 19.302 8.060 5.575 1.00 0.38 C ATOM 3052 CD1 TRP B 87 20.424 8.796 5.324 1.00 0.47 C ATOM 3053 CD2 TRP B 87 19.677 7.068 6.535 1.00 0.40 C ATOM 3054 NE1 TRP B 87 21.474 8.321 6.070 1.00 0.53 N ATOM 3055 CE2 TRP B 87 21.040 7.262 6.824 1.00 0.48 C ATOM 3056 CE3 TRP B 87 18.988 6.036 7.183 1.00 0.43 C ATOM 3057 CZ2 TRP B 87 21.728 6.459 7.728 1.00 0.53 C ATOM 3058 CZ3 TRP B 87 19.673 5.240 8.080 1.00 0.50 C ATOM 3059 CH2 TRP B 87 21.031 5.457 8.346 1.00 0.53 C ATOM 0 H TRP B 87 18.733 8.843 2.678 1.00 0.28 H new ATOM 0 HA TRP B 87 18.114 6.357 3.970 1.00 0.29 H new ATOM 0 HB2 TRP B 87 17.827 9.286 4.673 1.00 0.33 H new ATOM 0 HB3 TRP B 87 17.187 8.028 5.711 1.00 0.33 H new ATOM 0 HD1 TRP B 87 20.478 9.629 4.639 1.00 0.47 H new ATOM 0 HE1 TRP B 87 22.423 8.695 6.064 1.00 0.53 H new ATOM 0 HE3 TRP B 87 17.940 5.865 6.985 1.00 0.43 H new ATOM 0 HZ2 TRP B 87 22.776 6.621 7.935 1.00 0.53 H new ATOM 0 HZ3 TRP B 87 19.154 4.438 8.584 1.00 0.50 H new ATOM 0 HH2 TRP B 87 21.539 4.819 9.054 1.00 0.53 H new ATOM 3070 N MET B 88 15.731 6.019 3.476 1.00 0.31 N ATOM 3071 CA MET B 88 14.333 5.769 3.187 1.00 0.39 C ATOM 3072 C MET B 88 13.715 4.910 4.280 1.00 0.37 C ATOM 3073 O MET B 88 14.363 4.014 4.820 1.00 0.40 O ATOM 3074 CB MET B 88 14.196 5.082 1.827 1.00 0.52 C ATOM 3075 CG MET B 88 12.760 4.927 1.365 1.00 0.73 C ATOM 3076 SD MET B 88 12.534 5.377 -0.365 1.00 1.53 S ATOM 3077 CE MET B 88 13.504 4.104 -1.168 1.00 0.91 C ATOM 0 H MET B 88 16.269 5.184 3.706 1.00 0.31 H new ATOM 0 HA MET B 88 13.803 6.721 3.154 1.00 0.39 H new ATOM 0 HB2 MET B 88 14.748 5.656 1.083 1.00 0.52 H new ATOM 0 HB3 MET B 88 14.660 4.097 1.879 1.00 0.52 H new ATOM 0 HG2 MET B 88 12.445 3.894 1.512 1.00 0.73 H new ATOM 0 HG3 MET B 88 12.114 5.548 1.985 1.00 0.73 H new ATOM 0 HE1 MET B 88 12.890 3.592 -1.909 1.00 0.91 H new ATOM 0 HE2 MET B 88 14.364 4.558 -1.660 1.00 0.91 H new ATOM 0 HE3 MET B 88 13.849 3.386 -0.424 1.00 0.91 H new ATOM 3087 N ARG B 89 12.474 5.207 4.618 1.00 0.36 N ATOM 3088 CA ARG B 89 11.756 4.466 5.637 1.00 0.37 C ATOM 3089 C ARG B 89 10.650 3.646 4.986 1.00 0.36 C ATOM 3090 O ARG B 89 9.591 4.172 4.634 1.00 0.42 O ATOM 3091 CB ARG B 89 11.171 5.422 6.676 1.00 0.44 C ATOM 3092 CG ARG B 89 10.364 4.728 7.757 1.00 0.58 C ATOM 3093 CD ARG B 89 9.072 5.471 8.039 1.00 0.97 C ATOM 3094 NE ARG B 89 8.265 5.637 6.828 1.00 2.01 N ATOM 3095 CZ ARG B 89 7.148 6.361 6.773 1.00 2.63 C ATOM 3096 NH1 ARG B 89 6.689 6.969 7.858 1.00 2.41 N ATOM 3097 NH2 ARG B 89 6.485 6.478 5.633 1.00 3.80 N ATOM 0 H ARG B 89 11.938 5.965 4.196 1.00 0.36 H new ATOM 0 HA ARG B 89 12.447 3.793 6.144 1.00 0.37 H new ATOM 0 HB2 ARG B 89 11.984 5.979 7.143 1.00 0.44 H new ATOM 0 HB3 ARG B 89 10.535 6.149 6.171 1.00 0.44 H new ATOM 0 HG2 ARG B 89 10.140 3.707 7.448 1.00 0.58 H new ATOM 0 HG3 ARG B 89 10.955 4.662 8.670 1.00 0.58 H new ATOM 0 HD2 ARG B 89 8.496 4.927 8.788 1.00 0.97 H new ATOM 0 HD3 ARG B 89 9.300 6.450 8.461 1.00 0.97 H new ATOM 0 HE ARG B 89 8.577 5.171 5.976 1.00 2.01 H new ATOM 0 HH11 ARG B 89 7.192 6.884 8.741 1.00 2.41 H new ATOM 0 HH12 ARG B 89 5.833 7.522 7.809 1.00 2.41 H new ATOM 0 HH21 ARG B 89 6.829 6.013 4.793 1.00 3.80 H new ATOM 0 HH22 ARG B 89 5.630 7.033 5.595 1.00 3.80 H new ATOM 3111 N THR B 90 10.910 2.365 4.815 1.00 0.33 N ATOM 3112 CA THR B 90 9.961 1.464 4.189 1.00 0.34 C ATOM 3113 C THR B 90 8.975 0.883 5.198 1.00 0.31 C ATOM 3114 O THR B 90 9.311 -0.019 5.964 1.00 0.34 O ATOM 3115 CB THR B 90 10.697 0.313 3.491 1.00 0.38 C ATOM 3116 OG1 THR B 90 11.929 0.792 2.945 1.00 0.43 O ATOM 3117 CG2 THR B 90 9.847 -0.290 2.386 1.00 0.43 C ATOM 0 H THR B 90 11.781 1.920 5.104 1.00 0.33 H new ATOM 0 HA THR B 90 9.402 2.048 3.458 1.00 0.34 H new ATOM 0 HB THR B 90 10.898 -0.463 4.229 1.00 0.38 H new ATOM 0 HG1 THR B 90 11.742 1.399 2.199 1.00 0.43 H new ATOM 0 HG21 THR B 90 10.394 -1.103 1.909 1.00 0.43 H new ATOM 0 HG22 THR B 90 8.920 -0.676 2.810 1.00 0.43 H new ATOM 0 HG23 THR B 90 9.616 0.476 1.645 1.00 0.43 H new ATOM 3125 N SER B 91 7.766 1.415 5.204 1.00 0.28 N ATOM 3126 CA SER B 91 6.724 0.934 6.091 1.00 0.27 C ATOM 3127 C SER B 91 6.061 -0.297 5.478 1.00 0.23 C ATOM 3128 O SER B 91 5.116 -0.185 4.697 1.00 0.28 O ATOM 3129 CB SER B 91 5.701 2.042 6.335 1.00 0.36 C ATOM 3130 OG SER B 91 6.340 3.203 6.835 1.00 0.97 O ATOM 0 H SER B 91 7.481 2.186 4.600 1.00 0.28 H new ATOM 0 HA SER B 91 7.158 0.652 7.051 1.00 0.27 H new ATOM 0 HB2 SER B 91 5.181 2.277 5.406 1.00 0.36 H new ATOM 0 HB3 SER B 91 4.947 1.700 7.044 1.00 0.36 H new ATOM 0 HG SER B 91 6.532 3.086 7.789 1.00 0.97 H new ATOM 3136 N SER B 92 6.582 -1.466 5.817 1.00 0.23 N ATOM 3137 CA SER B 92 6.071 -2.720 5.286 1.00 0.28 C ATOM 3138 C SER B 92 4.829 -3.189 6.037 1.00 0.26 C ATOM 3139 O SER B 92 4.838 -3.314 7.259 1.00 0.36 O ATOM 3140 CB SER B 92 7.164 -3.786 5.355 1.00 0.36 C ATOM 3141 OG SER B 92 8.375 -3.304 4.790 1.00 1.27 O ATOM 0 H SER B 92 7.365 -1.572 6.463 1.00 0.23 H new ATOM 0 HA SER B 92 5.781 -2.556 4.248 1.00 0.28 H new ATOM 0 HB2 SER B 92 7.331 -4.075 6.393 1.00 0.36 H new ATOM 0 HB3 SER B 92 6.840 -4.681 4.823 1.00 0.36 H new ATOM 0 HG SER B 92 8.300 -3.298 3.813 1.00 1.27 H new ATOM 3147 N PHE B 93 3.759 -3.426 5.295 1.00 0.25 N ATOM 3148 CA PHE B 93 2.509 -3.898 5.867 1.00 0.27 C ATOM 3149 C PHE B 93 2.215 -5.310 5.364 1.00 0.25 C ATOM 3150 O PHE B 93 2.320 -5.579 4.166 1.00 0.25 O ATOM 3151 CB PHE B 93 1.366 -2.948 5.487 1.00 0.33 C ATOM 3152 CG PHE B 93 0.117 -3.140 6.298 1.00 0.37 C ATOM 3153 CD1 PHE B 93 -0.063 -2.451 7.484 1.00 0.47 C ATOM 3154 CD2 PHE B 93 -0.876 -4.007 5.873 1.00 0.35 C ATOM 3155 CE1 PHE B 93 -1.209 -2.622 8.233 1.00 0.54 C ATOM 3156 CE2 PHE B 93 -2.024 -4.183 6.619 1.00 0.41 C ATOM 3157 CZ PHE B 93 -2.190 -3.489 7.801 1.00 0.50 C ATOM 0 H PHE B 93 3.733 -3.297 4.284 1.00 0.25 H new ATOM 0 HA PHE B 93 2.596 -3.920 6.953 1.00 0.27 H new ATOM 0 HB2 PHE B 93 1.708 -1.920 5.604 1.00 0.33 H new ATOM 0 HB3 PHE B 93 1.127 -3.087 4.433 1.00 0.33 H new ATOM 0 HD1 PHE B 93 0.703 -1.771 7.828 1.00 0.47 H new ATOM 0 HD2 PHE B 93 -0.751 -4.551 4.948 1.00 0.35 H new ATOM 0 HE1 PHE B 93 -1.337 -2.077 9.157 1.00 0.54 H new ATOM 0 HE2 PHE B 93 -2.791 -4.863 6.279 1.00 0.41 H new ATOM 0 HZ PHE B 93 -3.087 -3.625 8.386 1.00 0.50 H new ATOM 3167 N THR B 94 1.867 -6.210 6.274 1.00 0.30 N ATOM 3168 CA THR B 94 1.571 -7.586 5.905 1.00 0.31 C ATOM 3169 C THR B 94 0.238 -7.695 5.167 1.00 0.33 C ATOM 3170 O THR B 94 -0.817 -7.369 5.716 1.00 0.37 O ATOM 3171 CB THR B 94 1.532 -8.498 7.145 1.00 0.38 C ATOM 3172 OG1 THR B 94 2.065 -7.804 8.285 1.00 0.59 O ATOM 3173 CG2 THR B 94 2.333 -9.766 6.898 1.00 0.37 C ATOM 0 H THR B 94 1.783 -6.012 7.271 1.00 0.30 H new ATOM 0 HA THR B 94 2.372 -7.911 5.241 1.00 0.31 H new ATOM 0 HB THR B 94 0.495 -8.769 7.341 1.00 0.38 H new ATOM 0 HG1 THR B 94 2.859 -8.275 8.613 1.00 0.59 H new ATOM 0 HG21 THR B 94 2.295 -10.399 7.785 1.00 0.37 H new ATOM 0 HG22 THR B 94 1.910 -10.304 6.049 1.00 0.37 H new ATOM 0 HG23 THR B 94 3.369 -9.506 6.683 1.00 0.37 H new ATOM 3181 N PHE B 95 0.295 -8.140 3.920 1.00 0.35 N ATOM 3182 CA PHE B 95 -0.901 -8.310 3.113 1.00 0.41 C ATOM 3183 C PHE B 95 -1.296 -9.781 3.085 1.00 0.45 C ATOM 3184 O PHE B 95 -0.523 -10.634 2.647 1.00 0.49 O ATOM 3185 CB PHE B 95 -0.662 -7.789 1.691 1.00 0.48 C ATOM 3186 CG PHE B 95 -1.731 -8.175 0.708 1.00 0.56 C ATOM 3187 CD1 PHE B 95 -2.857 -7.388 0.550 1.00 0.95 C ATOM 3188 CD2 PHE B 95 -1.607 -9.326 -0.055 1.00 0.91 C ATOM 3189 CE1 PHE B 95 -3.841 -7.740 -0.349 1.00 1.03 C ATOM 3190 CE2 PHE B 95 -2.589 -9.684 -0.954 1.00 0.98 C ATOM 3191 CZ PHE B 95 -3.707 -8.890 -1.103 1.00 0.78 C ATOM 0 H PHE B 95 1.162 -8.390 3.445 1.00 0.35 H new ATOM 0 HA PHE B 95 -1.715 -7.735 3.554 1.00 0.41 H new ATOM 0 HB2 PHE B 95 -0.587 -6.702 1.722 1.00 0.48 H new ATOM 0 HB3 PHE B 95 0.297 -8.165 1.334 1.00 0.48 H new ATOM 0 HD1 PHE B 95 -2.967 -6.488 1.137 1.00 0.95 H new ATOM 0 HD2 PHE B 95 -0.732 -9.949 0.056 1.00 0.91 H new ATOM 0 HE1 PHE B 95 -4.716 -7.117 -0.464 1.00 1.03 H new ATOM 0 HE2 PHE B 95 -2.483 -10.585 -1.541 1.00 0.98 H new ATOM 0 HZ PHE B 95 -4.477 -9.167 -1.808 1.00 0.78 H new ATOM 3201 N GLN B 96 -2.492 -10.074 3.564 1.00 0.51 N ATOM 3202 CA GLN B 96 -2.985 -11.441 3.594 1.00 0.56 C ATOM 3203 C GLN B 96 -4.380 -11.517 3.002 1.00 0.63 C ATOM 3204 O GLN B 96 -5.116 -10.530 2.997 1.00 0.71 O ATOM 3205 CB GLN B 96 -3.033 -11.961 5.030 1.00 0.60 C ATOM 3206 CG GLN B 96 -1.677 -12.092 5.695 1.00 0.74 C ATOM 3207 CD GLN B 96 -1.699 -11.588 7.119 1.00 0.88 C ATOM 3208 OE1 GLN B 96 -1.327 -10.447 7.393 1.00 1.41 O ATOM 3209 NE2 GLN B 96 -2.163 -12.420 8.035 1.00 0.91 N ATOM 0 H GLN B 96 -3.142 -9.382 3.938 1.00 0.51 H new ATOM 0 HA GLN B 96 -2.303 -12.054 3.004 1.00 0.56 H new ATOM 0 HB2 GLN B 96 -3.653 -11.291 5.626 1.00 0.60 H new ATOM 0 HB3 GLN B 96 -3.522 -12.935 5.034 1.00 0.60 H new ATOM 0 HG2 GLN B 96 -1.366 -13.137 5.684 1.00 0.74 H new ATOM 0 HG3 GLN B 96 -0.936 -11.533 5.123 1.00 0.74 H new ATOM 0 HE21 GLN B 96 -2.462 -13.358 7.768 1.00 0.91 H new ATOM 0 HE22 GLN B 96 -2.223 -12.124 9.009 1.00 0.91 H new ATOM 3218 N ASN B 97 -4.730 -12.688 2.497 1.00 0.73 N ATOM 3219 CA ASN B 97 -6.050 -12.911 1.936 1.00 0.91 C ATOM 3220 C ASN B 97 -6.949 -13.508 3.009 1.00 0.97 C ATOM 3221 O ASN B 97 -6.523 -14.390 3.760 1.00 0.97 O ATOM 3222 CB ASN B 97 -5.982 -13.845 0.725 1.00 1.06 C ATOM 3223 CG ASN B 97 -5.658 -13.112 -0.563 1.00 1.43 C ATOM 3224 OD1 ASN B 97 -6.552 -12.623 -1.256 1.00 1.94 O ATOM 3225 ND2 ASN B 97 -4.379 -13.028 -0.895 1.00 1.65 N ATOM 0 H ASN B 97 -4.115 -13.501 2.464 1.00 0.73 H new ATOM 0 HA ASN B 97 -6.458 -11.958 1.599 1.00 0.91 H new ATOM 0 HB2 ASN B 97 -5.226 -14.609 0.903 1.00 1.06 H new ATOM 0 HB3 ASN B 97 -6.936 -14.360 0.615 1.00 1.06 H new ATOM 0 HD21 ASN B 97 -4.105 -12.545 -1.751 1.00 1.65 H new ATOM 0 HD22 ASN B 97 -3.668 -13.446 -0.295 1.00 1.65 H new ATOM 3232 N PRO B 98 -8.196 -13.031 3.115 1.00 1.12 N ATOM 3233 CA PRO B 98 -9.154 -13.517 4.116 1.00 1.28 C ATOM 3234 C PRO B 98 -9.770 -14.870 3.746 1.00 1.35 C ATOM 3235 O PRO B 98 -10.964 -15.101 3.947 1.00 1.41 O ATOM 3236 CB PRO B 98 -10.225 -12.427 4.116 1.00 1.50 C ATOM 3237 CG PRO B 98 -10.206 -11.888 2.727 1.00 1.51 C ATOM 3238 CD PRO B 98 -8.775 -11.968 2.272 1.00 1.26 C ATOM 0 HA PRO B 98 -8.682 -13.686 5.084 1.00 1.28 H new ATOM 0 HB2 PRO B 98 -11.204 -12.832 4.372 1.00 1.50 H new ATOM 0 HB3 PRO B 98 -10.001 -11.650 4.847 1.00 1.50 H new ATOM 0 HG2 PRO B 98 -10.856 -12.470 2.074 1.00 1.51 H new ATOM 0 HG3 PRO B 98 -10.567 -10.860 2.702 1.00 1.51 H new ATOM 0 HD2 PRO B 98 -8.705 -12.215 1.213 1.00 1.26 H new ATOM 0 HD3 PRO B 98 -8.257 -11.019 2.413 1.00 1.26 H new ATOM 3246 N TYR B 99 -8.951 -15.766 3.211 1.00 1.39 N ATOM 3247 CA TYR B 99 -9.417 -17.087 2.813 1.00 1.52 C ATOM 3248 C TYR B 99 -8.597 -18.166 3.504 1.00 1.54 C ATOM 3249 O TYR B 99 -9.121 -18.936 4.308 1.00 1.80 O ATOM 3250 CB TYR B 99 -9.327 -17.253 1.294 1.00 1.68 C ATOM 3251 CG TYR B 99 -9.938 -16.108 0.520 1.00 1.87 C ATOM 3252 CD1 TYR B 99 -11.306 -15.870 0.552 1.00 1.83 C ATOM 3253 CD2 TYR B 99 -9.144 -15.261 -0.241 1.00 2.26 C ATOM 3254 CE1 TYR B 99 -11.864 -14.822 -0.151 1.00 2.10 C ATOM 3255 CE2 TYR B 99 -9.695 -14.211 -0.947 1.00 2.61 C ATOM 3256 CZ TYR B 99 -11.054 -13.996 -0.899 1.00 2.50 C ATOM 3257 OH TYR B 99 -11.605 -12.950 -1.599 1.00 2.90 O ATOM 0 H TYR B 99 -7.959 -15.601 3.043 1.00 1.39 H new ATOM 0 HA TYR B 99 -10.460 -17.189 3.114 1.00 1.52 H new ATOM 0 HB2 TYR B 99 -8.279 -17.354 1.010 1.00 1.68 H new ATOM 0 HB3 TYR B 99 -9.825 -18.180 1.009 1.00 1.68 H new ATOM 0 HD1 TYR B 99 -11.944 -16.516 1.137 1.00 1.83 H new ATOM 0 HD2 TYR B 99 -8.078 -15.426 -0.281 1.00 2.26 H new ATOM 0 HE1 TYR B 99 -12.930 -14.650 -0.115 1.00 2.10 H new ATOM 0 HE2 TYR B 99 -9.063 -13.561 -1.534 1.00 2.61 H new ATOM 0 HH TYR B 99 -10.976 -12.650 -2.288 1.00 2.90 H new ATOM 3267 N SER B 100 -7.313 -18.216 3.184 1.00 1.37 N ATOM 3268 CA SER B 100 -6.410 -19.193 3.771 1.00 1.42 C ATOM 3269 C SER B 100 -5.157 -18.504 4.302 1.00 1.24 C ATOM 3270 O SER B 100 -4.111 -19.137 4.464 1.00 1.29 O ATOM 3271 CB SER B 100 -6.030 -20.248 2.728 1.00 1.52 C ATOM 3272 OG SER B 100 -7.182 -20.741 2.064 1.00 2.27 O ATOM 0 H SER B 100 -6.871 -17.586 2.515 1.00 1.37 H new ATOM 0 HA SER B 100 -6.916 -19.684 4.602 1.00 1.42 H new ATOM 0 HB2 SER B 100 -5.343 -19.815 2.001 1.00 1.52 H new ATOM 0 HB3 SER B 100 -5.504 -21.071 3.212 1.00 1.52 H new ATOM 0 HG SER B 100 -6.916 -21.412 1.401 1.00 2.27 H new ATOM 3278 N ASP B 101 -5.280 -17.201 4.565 1.00 1.08 N ATOM 3279 CA ASP B 101 -4.174 -16.395 5.084 1.00 0.96 C ATOM 3280 C ASP B 101 -3.004 -16.393 4.102 1.00 0.87 C ATOM 3281 O ASP B 101 -1.843 -16.514 4.489 1.00 0.91 O ATOM 3282 CB ASP B 101 -3.733 -16.920 6.457 1.00 1.15 C ATOM 3283 CG ASP B 101 -2.834 -15.953 7.203 1.00 1.33 C ATOM 3284 OD1 ASP B 101 -3.262 -14.808 7.454 1.00 2.06 O ATOM 3285 OD2 ASP B 101 -1.702 -16.345 7.557 1.00 1.27 O ATOM 0 H ASP B 101 -6.144 -16.678 4.425 1.00 1.08 H new ATOM 0 HA ASP B 101 -4.517 -15.367 5.203 1.00 0.96 H new ATOM 0 HB2 ASP B 101 -4.616 -17.126 7.062 1.00 1.15 H new ATOM 0 HB3 ASP B 101 -3.209 -17.867 6.326 1.00 1.15 H new ATOM 3290 N GLU B 102 -3.325 -16.261 2.822 1.00 0.88 N ATOM 3291 CA GLU B 102 -2.311 -16.251 1.776 1.00 0.85 C ATOM 3292 C GLU B 102 -1.615 -14.895 1.684 1.00 0.72 C ATOM 3293 O GLU B 102 -2.219 -13.901 1.264 1.00 0.72 O ATOM 3294 CB GLU B 102 -2.933 -16.599 0.422 1.00 1.03 C ATOM 3295 CG GLU B 102 -3.853 -17.804 0.462 1.00 1.30 C ATOM 3296 CD GLU B 102 -5.313 -17.413 0.464 1.00 1.72 C ATOM 3297 OE1 GLU B 102 -5.781 -16.857 1.480 1.00 1.82 O ATOM 3298 OE2 GLU B 102 -5.996 -17.657 -0.553 1.00 2.51 O ATOM 0 H GLU B 102 -4.281 -16.159 2.482 1.00 0.88 H new ATOM 0 HA GLU B 102 -1.567 -17.003 2.037 1.00 0.85 H new ATOM 0 HB2 GLU B 102 -3.493 -15.738 0.058 1.00 1.03 H new ATOM 0 HB3 GLU B 102 -2.135 -16.787 -0.296 1.00 1.03 H new ATOM 0 HG2 GLU B 102 -3.651 -18.441 -0.399 1.00 1.30 H new ATOM 0 HG3 GLU B 102 -3.636 -18.394 1.352 1.00 1.30 H new ATOM 3305 N ILE B 103 -0.354 -14.856 2.095 1.00 0.68 N ATOM 3306 CA ILE B 103 0.438 -13.635 2.032 1.00 0.59 C ATOM 3307 C ILE B 103 1.047 -13.497 0.641 1.00 0.61 C ATOM 3308 O ILE B 103 2.150 -13.981 0.380 1.00 0.74 O ATOM 3309 CB ILE B 103 1.565 -13.623 3.091 1.00 0.62 C ATOM 3310 CG1 ILE B 103 0.997 -13.932 4.478 1.00 0.67 C ATOM 3311 CG2 ILE B 103 2.280 -12.276 3.096 1.00 0.56 C ATOM 3312 CD1 ILE B 103 2.051 -14.089 5.555 1.00 0.99 C ATOM 0 H ILE B 103 0.144 -15.660 2.477 1.00 0.68 H new ATOM 0 HA ILE B 103 -0.225 -12.796 2.241 1.00 0.59 H new ATOM 0 HB ILE B 103 2.289 -14.396 2.833 1.00 0.62 H new ATOM 0 HG12 ILE B 103 0.314 -13.133 4.766 1.00 0.67 H new ATOM 0 HG13 ILE B 103 0.409 -14.848 4.423 1.00 0.67 H new ATOM 0 HG21 ILE B 103 3.070 -12.286 3.847 1.00 0.56 H new ATOM 0 HG22 ILE B 103 2.716 -12.092 2.114 1.00 0.56 H new ATOM 0 HG23 ILE B 103 1.566 -11.486 3.330 1.00 0.56 H new ATOM 0 HD11 ILE B 103 1.568 -14.306 6.508 1.00 0.99 H new ATOM 0 HD12 ILE B 103 2.720 -14.908 5.292 1.00 0.99 H new ATOM 0 HD13 ILE B 103 2.624 -13.166 5.641 1.00 0.99 H new ATOM 3324 N GLU B 104 0.309 -12.852 -0.255 1.00 0.54 N ATOM 3325 CA GLU B 104 0.754 -12.668 -1.632 1.00 0.59 C ATOM 3326 C GLU B 104 1.976 -11.762 -1.719 1.00 0.51 C ATOM 3327 O GLU B 104 3.020 -12.162 -2.240 1.00 0.56 O ATOM 3328 CB GLU B 104 -0.371 -12.083 -2.484 1.00 0.69 C ATOM 3329 CG GLU B 104 -1.530 -13.033 -2.715 1.00 0.85 C ATOM 3330 CD GLU B 104 -2.512 -12.488 -3.727 1.00 1.06 C ATOM 3331 OE1 GLU B 104 -2.227 -12.564 -4.940 1.00 1.44 O ATOM 3332 OE2 GLU B 104 -3.567 -11.967 -3.317 1.00 1.33 O ATOM 0 H GLU B 104 -0.604 -12.446 -0.052 1.00 0.54 H new ATOM 0 HA GLU B 104 1.031 -13.651 -2.012 1.00 0.59 H new ATOM 0 HB2 GLU B 104 -0.746 -11.180 -2.002 1.00 0.69 H new ATOM 0 HB3 GLU B 104 0.037 -11.783 -3.449 1.00 0.69 H new ATOM 0 HG2 GLU B 104 -1.149 -13.994 -3.060 1.00 0.85 H new ATOM 0 HG3 GLU B 104 -2.044 -13.215 -1.771 1.00 0.85 H new ATOM 3339 N TYR B 105 1.850 -10.550 -1.201 1.00 0.42 N ATOM 3340 CA TYR B 105 2.938 -9.588 -1.252 1.00 0.40 C ATOM 3341 C TYR B 105 2.988 -8.754 0.017 1.00 0.33 C ATOM 3342 O TYR B 105 2.046 -8.748 0.805 1.00 0.37 O ATOM 3343 CB TYR B 105 2.779 -8.665 -2.472 1.00 0.46 C ATOM 3344 CG TYR B 105 1.410 -8.015 -2.592 1.00 0.47 C ATOM 3345 CD1 TYR B 105 1.120 -6.817 -1.942 1.00 0.45 C ATOM 3346 CD2 TYR B 105 0.411 -8.598 -3.360 1.00 0.59 C ATOM 3347 CE1 TYR B 105 -0.127 -6.225 -2.058 1.00 0.55 C ATOM 3348 CE2 TYR B 105 -0.835 -8.011 -3.483 1.00 0.67 C ATOM 3349 CZ TYR B 105 -1.101 -6.827 -2.830 1.00 0.65 C ATOM 3350 OH TYR B 105 -2.347 -6.250 -2.944 1.00 0.77 O ATOM 0 H TYR B 105 1.005 -10.210 -0.741 1.00 0.42 H new ATOM 0 HA TYR B 105 3.872 -10.143 -1.340 1.00 0.40 H new ATOM 0 HB2 TYR B 105 3.536 -7.883 -2.422 1.00 0.46 H new ATOM 0 HB3 TYR B 105 2.975 -9.241 -3.376 1.00 0.46 H new ATOM 0 HD1 TYR B 105 1.879 -6.343 -1.338 1.00 0.45 H new ATOM 0 HD2 TYR B 105 0.611 -9.528 -3.871 1.00 0.59 H new ATOM 0 HE1 TYR B 105 -0.337 -5.297 -1.547 1.00 0.55 H new ATOM 0 HE2 TYR B 105 -1.597 -8.479 -4.089 1.00 0.67 H new ATOM 0 HH TYR B 105 -2.266 -5.383 -3.394 1.00 0.77 H new ATOM 3360 N ILE B 106 4.099 -8.067 0.210 1.00 0.26 N ATOM 3361 CA ILE B 106 4.278 -7.200 1.359 1.00 0.25 C ATOM 3362 C ILE B 106 4.110 -5.755 0.913 1.00 0.26 C ATOM 3363 O ILE B 106 4.777 -5.308 -0.024 1.00 0.28 O ATOM 3364 CB ILE B 106 5.670 -7.376 2.007 1.00 0.26 C ATOM 3365 CG1 ILE B 106 5.970 -8.859 2.248 1.00 0.31 C ATOM 3366 CG2 ILE B 106 5.753 -6.597 3.314 1.00 0.30 C ATOM 3367 CD1 ILE B 106 7.395 -9.128 2.684 1.00 0.36 C ATOM 0 H ILE B 106 4.899 -8.094 -0.422 1.00 0.26 H new ATOM 0 HA ILE B 106 3.530 -7.467 2.106 1.00 0.25 H new ATOM 0 HB ILE B 106 6.419 -6.981 1.321 1.00 0.26 H new ATOM 0 HG12 ILE B 106 5.289 -9.240 3.009 1.00 0.31 H new ATOM 0 HG13 ILE B 106 5.768 -9.415 1.332 1.00 0.31 H new ATOM 0 HG21 ILE B 106 6.740 -6.733 3.756 1.00 0.30 H new ATOM 0 HG22 ILE B 106 5.586 -5.538 3.118 1.00 0.30 H new ATOM 0 HG23 ILE B 106 4.993 -6.963 4.004 1.00 0.30 H new ATOM 0 HD11 ILE B 106 7.533 -10.199 2.836 1.00 0.36 H new ATOM 0 HD12 ILE B 106 8.083 -8.779 1.914 1.00 0.36 H new ATOM 0 HD13 ILE B 106 7.596 -8.601 3.617 1.00 0.36 H new ATOM 3379 N ILE B 107 3.212 -5.036 1.566 1.00 0.29 N ATOM 3380 CA ILE B 107 2.953 -3.646 1.227 1.00 0.34 C ATOM 3381 C ILE B 107 4.041 -2.756 1.808 1.00 0.40 C ATOM 3382 O ILE B 107 3.873 -2.157 2.869 1.00 0.52 O ATOM 3383 CB ILE B 107 1.573 -3.189 1.745 1.00 0.44 C ATOM 3384 CG1 ILE B 107 0.510 -4.237 1.406 1.00 0.46 C ATOM 3385 CG2 ILE B 107 1.199 -1.841 1.145 1.00 0.53 C ATOM 3386 CD1 ILE B 107 -0.781 -4.074 2.176 1.00 0.79 C ATOM 0 H ILE B 107 2.648 -5.394 2.337 1.00 0.29 H new ATOM 0 HA ILE B 107 2.954 -3.561 0.140 1.00 0.34 H new ATOM 0 HB ILE B 107 1.625 -3.081 2.828 1.00 0.44 H new ATOM 0 HG12 ILE B 107 0.293 -4.188 0.339 1.00 0.46 H new ATOM 0 HG13 ILE B 107 0.916 -5.229 1.604 1.00 0.46 H new ATOM 0 HG21 ILE B 107 0.223 -1.534 1.521 1.00 0.53 H new ATOM 0 HG22 ILE B 107 1.946 -1.098 1.425 1.00 0.53 H new ATOM 0 HG23 ILE B 107 1.160 -1.924 0.059 1.00 0.53 H new ATOM 0 HD11 ILE B 107 -1.482 -4.854 1.880 1.00 0.79 H new ATOM 0 HD12 ILE B 107 -0.580 -4.154 3.244 1.00 0.79 H new ATOM 0 HD13 ILE B 107 -1.213 -3.097 1.960 1.00 0.79 H new ATOM 3398 N CYS B 108 5.169 -2.704 1.125 1.00 0.39 N ATOM 3399 CA CYS B 108 6.290 -1.902 1.573 1.00 0.47 C ATOM 3400 C CYS B 108 6.142 -0.449 1.142 1.00 0.37 C ATOM 3401 O CYS B 108 6.358 -0.106 -0.021 1.00 0.43 O ATOM 3402 CB CYS B 108 7.598 -2.479 1.035 1.00 0.61 C ATOM 3403 SG CYS B 108 8.114 -4.008 1.848 1.00 1.55 S ATOM 0 H CYS B 108 5.333 -3.210 0.255 1.00 0.39 H new ATOM 0 HA CYS B 108 6.307 -1.929 2.663 1.00 0.47 H new ATOM 0 HB2 CYS B 108 7.489 -2.666 -0.033 1.00 0.61 H new ATOM 0 HB3 CYS B 108 8.386 -1.735 1.149 1.00 0.61 H new ATOM 0 HG CYS B 108 8.851 -4.705 1.035 1.00 1.55 H new ATOM 3409 N THR B 109 5.754 0.393 2.084 1.00 0.32 N ATOM 3410 CA THR B 109 5.595 1.811 1.828 1.00 0.29 C ATOM 3411 C THR B 109 6.957 2.500 1.882 1.00 0.26 C ATOM 3412 O THR B 109 7.412 2.919 2.945 1.00 0.27 O ATOM 3413 CB THR B 109 4.643 2.451 2.855 1.00 0.39 C ATOM 3414 OG1 THR B 109 3.481 1.623 3.018 1.00 0.48 O ATOM 3415 CG2 THR B 109 4.221 3.840 2.412 1.00 0.49 C ATOM 0 H THR B 109 5.542 0.114 3.042 1.00 0.32 H new ATOM 0 HA THR B 109 5.162 1.937 0.835 1.00 0.29 H new ATOM 0 HB THR B 109 5.170 2.538 3.805 1.00 0.39 H new ATOM 0 HG1 THR B 109 3.705 0.853 3.581 1.00 0.48 H new ATOM 0 HG21 THR B 109 3.549 4.270 3.155 1.00 0.49 H new ATOM 0 HG22 THR B 109 5.103 4.473 2.310 1.00 0.49 H new ATOM 0 HG23 THR B 109 3.708 3.776 1.452 1.00 0.49 H new ATOM 3423 N ASN B 110 7.613 2.580 0.735 1.00 0.35 N ATOM 3424 CA ASN B 110 8.932 3.194 0.642 1.00 0.40 C ATOM 3425 C ASN B 110 8.828 4.713 0.622 1.00 0.45 C ATOM 3426 O ASN B 110 8.480 5.303 -0.395 1.00 0.57 O ATOM 3427 CB ASN B 110 9.651 2.702 -0.620 1.00 0.53 C ATOM 3428 CG ASN B 110 10.853 1.832 -0.315 1.00 1.18 C ATOM 3429 OD1 ASN B 110 11.576 2.065 0.650 1.00 1.84 O ATOM 3430 ND2 ASN B 110 11.066 0.811 -1.132 1.00 1.84 N ATOM 0 H ASN B 110 7.252 2.226 -0.151 1.00 0.35 H new ATOM 0 HA ASN B 110 9.506 2.903 1.522 1.00 0.40 H new ATOM 0 HB2 ASN B 110 8.949 2.139 -1.235 1.00 0.53 H new ATOM 0 HB3 ASN B 110 9.972 3.562 -1.208 1.00 0.53 H new ATOM 0 HD21 ASN B 110 11.854 0.184 -0.970 1.00 1.84 H new ATOM 0 HD22 ASN B 110 10.442 0.652 -1.923 1.00 1.84 H new ATOM 3437 N THR B 111 9.110 5.338 1.755 1.00 0.39 N ATOM 3438 CA THR B 111 9.055 6.788 1.862 1.00 0.41 C ATOM 3439 C THR B 111 10.431 7.355 2.196 1.00 0.38 C ATOM 3440 O THR B 111 11.028 6.992 3.211 1.00 0.43 O ATOM 3441 CB THR B 111 8.058 7.222 2.946 1.00 0.45 C ATOM 3442 OG1 THR B 111 6.927 6.340 2.950 1.00 0.50 O ATOM 3443 CG2 THR B 111 7.591 8.650 2.715 1.00 0.52 C ATOM 0 H THR B 111 9.380 4.862 2.616 1.00 0.39 H new ATOM 0 HA THR B 111 8.726 7.175 0.898 1.00 0.41 H new ATOM 0 HB THR B 111 8.562 7.175 3.911 1.00 0.45 H new ATOM 0 HG1 THR B 111 6.106 6.861 3.074 1.00 0.50 H new ATOM 0 HG21 THR B 111 6.886 8.933 3.496 1.00 0.52 H new ATOM 0 HG22 THR B 111 8.449 9.322 2.740 1.00 0.52 H new ATOM 0 HG23 THR B 111 7.103 8.720 1.743 1.00 0.52 H new ATOM 3451 N ASN B 112 10.932 8.238 1.344 1.00 0.36 N ATOM 3452 CA ASN B 112 12.244 8.844 1.549 1.00 0.36 C ATOM 3453 C ASN B 112 12.229 9.808 2.732 1.00 0.34 C ATOM 3454 O ASN B 112 11.283 10.575 2.915 1.00 0.37 O ATOM 3455 CB ASN B 112 12.703 9.567 0.277 1.00 0.45 C ATOM 3456 CG ASN B 112 13.830 10.552 0.536 1.00 0.39 C ATOM 3457 OD1 ASN B 112 13.591 11.739 0.758 1.00 0.71 O ATOM 3458 ND2 ASN B 112 15.063 10.069 0.519 1.00 0.42 N ATOM 0 H ASN B 112 10.450 8.553 0.502 1.00 0.36 H new ATOM 0 HA ASN B 112 12.951 8.046 1.775 1.00 0.36 H new ATOM 0 HB2 ASN B 112 13.031 8.830 -0.456 1.00 0.45 H new ATOM 0 HB3 ASN B 112 11.857 10.097 -0.160 1.00 0.45 H new ATOM 0 HD21 ASN B 112 15.855 10.687 0.694 1.00 0.42 H new ATOM 0 HD22 ASN B 112 15.220 9.079 0.331 1.00 0.42 H new ATOM 3465 N VAL B 113 13.283 9.753 3.535 1.00 0.36 N ATOM 3466 CA VAL B 113 13.408 10.612 4.702 1.00 0.44 C ATOM 3467 C VAL B 113 14.193 11.874 4.355 1.00 0.50 C ATOM 3468 O VAL B 113 13.785 12.991 4.684 1.00 0.78 O ATOM 3469 CB VAL B 113 14.120 9.879 5.861 1.00 0.52 C ATOM 3470 CG1 VAL B 113 14.091 10.712 7.133 1.00 0.98 C ATOM 3471 CG2 VAL B 113 13.495 8.514 6.100 1.00 0.83 C ATOM 0 H VAL B 113 14.069 9.117 3.397 1.00 0.36 H new ATOM 0 HA VAL B 113 12.401 10.882 5.019 1.00 0.44 H new ATOM 0 HB VAL B 113 15.162 9.734 5.576 1.00 0.52 H new ATOM 0 HG11 VAL B 113 14.599 10.173 7.933 1.00 0.98 H new ATOM 0 HG12 VAL B 113 14.597 11.662 6.958 1.00 0.98 H new ATOM 0 HG13 VAL B 113 13.057 10.899 7.422 1.00 0.98 H new ATOM 0 HG21 VAL B 113 14.012 8.016 6.920 1.00 0.83 H new ATOM 0 HG22 VAL B 113 12.442 8.635 6.355 1.00 0.83 H new ATOM 0 HG23 VAL B 113 13.582 7.911 5.196 1.00 0.83 H new ATOM 3481 N LYS B 114 15.319 11.687 3.680 1.00 0.66 N ATOM 3482 CA LYS B 114 16.173 12.795 3.288 1.00 0.80 C ATOM 3483 C LYS B 114 16.584 12.649 1.829 1.00 0.96 C ATOM 3484 O LYS B 114 16.264 13.549 1.028 1.00 1.54 O ATOM 3485 CB LYS B 114 17.418 12.856 4.179 1.00 1.37 C ATOM 3486 CG LYS B 114 17.129 13.221 5.629 1.00 1.56 C ATOM 3487 CD LYS B 114 17.279 14.716 5.881 1.00 2.38 C ATOM 3488 CE LYS B 114 16.171 15.525 5.220 1.00 2.81 C ATOM 3489 NZ LYS B 114 14.857 15.333 5.892 1.00 3.21 N ATOM 3490 OXT LYS B 114 17.201 11.616 1.488 1.00 0.67 O ATOM 0 H LYS B 114 15.662 10.771 3.392 1.00 0.66 H new ATOM 0 HA LYS B 114 15.613 13.722 3.409 1.00 0.80 H new ATOM 0 HB2 LYS B 114 17.918 11.888 4.152 1.00 1.37 H new ATOM 0 HB3 LYS B 114 18.113 13.586 3.764 1.00 1.37 H new ATOM 0 HG2 LYS B 114 16.117 12.910 5.887 1.00 1.56 H new ATOM 0 HG3 LYS B 114 17.807 12.673 6.283 1.00 1.56 H new ATOM 0 HD2 LYS B 114 17.273 14.904 6.955 1.00 2.38 H new ATOM 0 HD3 LYS B 114 18.245 15.051 5.504 1.00 2.38 H new ATOM 0 HE2 LYS B 114 16.435 16.582 5.238 1.00 2.81 H new ATOM 0 HE3 LYS B 114 16.087 15.235 4.173 1.00 2.81 H new ATOM 0 HZ1 LYS B 114 14.267 16.178 5.749 1.00 3.21 H new ATOM 0 HZ2 LYS B 114 14.378 14.503 5.487 1.00 3.21 H new ATOM 0 HZ3 LYS B 114 15.006 15.184 6.910 1.00 3.21 H new TER 3504 LYS B 114