USER MOD reduce.3.24.130724 H: found=0, std=0, add=1721, rem=0, adj=68 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: A 102 MET CE :methyl -169:sc= -0.0127 (180deg=-0.244) USER MOD Set 1.2: B 109 THR OG1 : rot 130:sc= 0 USER MOD Set 2.1: B 16 HIS : no HE2:sc= 1.77 K(o=5.1,f=-14!) USER MOD Set 2.2: B 92 SER OG : rot -82:sc= 1.23 USER MOD Set 2.3: B 108 CYS SG : rot 113:sc= 2.1 USER MOD Set 3.1: B 88 MET CE :methyl -110:sc= -0.772 (180deg=-1.37) USER MOD Set 3.2: B 90 THR OG1 : rot 69:sc= -1.12 USER MOD Set 4.1: B 73 SER OG : rot 180:sc= 0.997 USER MOD Set 4.2: B 91 SER OG : rot -84:sc= 1.17 USER MOD Set 5.1: B 35 TYR OH : rot 52:sc= 1.2 USER MOD Set 5.2: B 83 GLN : amide:sc= 0.229 K(o=1.4,f=0.75) USER MOD Set 6.1: B 8 GLN : amide:sc= 0.147 K(o=0.46,f=-3.2!) USER MOD Set 6.2: B 27 HIS : no HE2:sc= 0.309 K(o=0.46,f=-10!) USER MOD Set 7.1: B 14 SER OG : rot 54:sc= 1.32 USER MOD Set 7.2: B 110 ASN : amide:sc= 2.56 K(o=3.9,f=2.8) USER MOD Set 8.1: A 71 TYR OH : rot -153:sc= 1.56 USER MOD Set 8.2: A 85 THR OG1 : rot -44:sc= 1.74 USER MOD Set 8.3: A 105 ASN : amide:sc= -1.59 K(o=1.7,f=-3.5!) USER MOD Set 9.1: A 97 GLN : amide:sc= 0.0647 X(o=0.0033,f=-0.47) USER MOD Set 9.2: A 99 GLN : amide:sc= -0.0614 K(o=0.0033,f=-1) USER MOD Set10.1: A 65 GLN : amide:sc= 2.41 K(o=5,f=-3.8) USER MOD Set10.2: A 88 THR OG1 : rot 150:sc= 0.533 USER MOD Set10.3: B 70 GLN : amide:sc= 2.07 K(o=5,f=-3.8!) USER MOD Set11.1: A 59 ASN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Set11.2: A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set12.1: A 10 SER OG : rot -114:sc= 1.35 USER MOD Set12.2: A 12 HIS : no HE2:sc= 1.55 K(o=3.1,f=-8!) USER MOD Set12.3: A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set12.4: A 45 TYR OH : rot -162:sc= 1.41 USER MOD Set12.5: A 53 MET CE :methyl 162:sc= 0 (180deg=-0.198) USER MOD Set12.6: A 103 CYS SG : rot 46:sc= -1.22 USER MOD Set13.1: A 42 TYR OH : rot 159:sc= 1.29 USER MOD Set13.2: A 54 THR OG1 : rot 78:sc= -0.578 USER MOD Set13.3: A 57 HIS : no HD1:sc= 0.816 K(o=1.5,f=-8.5!) USER MOD Set14.1: A 13 SER OG : rot -82:sc= 1.24 USER MOD Set14.2: A 19 THR OG1 : rot 180:sc= 1.09 USER MOD Set15.1: A 7 THR OG1 : rot 65:sc= -0.958 USER MOD Set15.2: B 97 ASN : amide:sc= 1.85 K(o=0.89,f=-3.5!) USER MOD Single : A 6 LYS NZ :NH3+ -176:sc= 1.25 (180deg=1.12) USER MOD Single : A 14 MET CE :methyl 156:sc= -0.356 (180deg=-1.12) USER MOD Single : A 17 LYS NZ :NH3+ 160:sc= 1.02 (180deg=0.474) USER MOD Single : A 20 TYR OH : rot 6:sc= 0.81 USER MOD Single : A 21 CYS SG : rot -93:sc= -0.328 USER MOD Single : A 26 THR OG1 : rot 86:sc= 1.23 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 HIS :FLIP no HD1:sc= -0.139 F(o=-1.9!,f=-0.14) USER MOD Single : A 40 SER OG : rot 80:sc= 1.14 USER MOD Single : A 46 HIS : +bothHN:sc= -4.34! C(o=-4.3!,f=-12!) USER MOD Single : A 50 SER OG : rot -49:sc= 0.717 USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 55 LYS NZ :NH3+ 177:sc= 1.16 (180deg=1.09) USER MOD Single : A 56 SER OG : rot 79:sc= 0.477 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 CYS SG : rot 65:sc= 0.69 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.00105 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 156:sc= -0.0691 (180deg=-0.42) USER MOD Single : A 77 HIS : no HD1:sc= -0.317 X(o=-0.32,f=0) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= 0.689 K(o=0.69,f=-0.0057) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= -0.368 K(o=-0.37,f=-7.9!) USER MOD Single : A 95 ASN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 100 CYS SG : rot 171:sc= 1.16 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0.0102 USER MOD Single : B 7 CYS SG : rot 180:sc= 0 USER MOD Single : B 10 THR OG1 : rot 180:sc= 0.0201 USER MOD Single : B 17 ASN : amide:sc= 0.707 K(o=0.71,f=-8.1!) USER MOD Single : B 23 THR OG1 : rot 180:sc= 0 USER MOD Single : B 29 CYS SG : rot 88:sc= 0.97 USER MOD Single : B 32 THR OG1 : rot 80:sc= 1.17 USER MOD Single : B 36 GLN :FLIP amide:sc= -0.507 F(o=-4.1!,f=-0.51) USER MOD Single : B 38 GLN : amide:sc= 0.908 K(o=0.91,f=-6.4!) USER MOD Single : B 43 LYS NZ :NH3+ 150:sc= 1.29 (180deg=0.274) USER MOD Single : B 44 ASN : amide:sc= 0.934 K(o=0.93,f=0.21) USER MOD Single : B 49 CYS SG : rot 68:sc= -0.164 USER MOD Single : B 50 HIS : no HE2:sc= -0.09 K(o=-0.09,f=-5.4!) USER MOD Single : B 54 GLN : amide:sc= -0.521 K(o=-0.52,f=-1.2) USER MOD Single : B 55 GLN : amide:sc= -0.0564 K(o=-0.056,f=-0.63) USER MOD Single : B 60 SER OG : rot 75:sc= 1.26 USER MOD Single : B 62 GLN :FLIP amide:sc= -0.073 F(o=-0.95,f=-0.073) USER MOD Single : B 63 GLN : amide:sc= 1.06 K(o=1.1,f=-1.2!) USER MOD Single : B 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 68 LYS NZ :NH3+ -175:sc= 1.19 (180deg=1.14) USER MOD Single : B 75 MET CE :methyl 149:sc= -5.36! (180deg=-8.59!) USER MOD Single : B 80 SER OG : rot 180:sc= -0.17 USER MOD Single : B 81 LYS NZ :NH3+ -162:sc= 1.28 (180deg=1.23) USER MOD Single : B 82 ASN : amide:sc= 1.2 K(o=1.2,f=-0.55) USER MOD Single : B 94 THR OG1 : rot -134:sc= 0.565 USER MOD Single : B 96 GLN : amide:sc= -5.19! C(o=-5.2!,f=-9.8!) USER MOD Single : B 99 TYR OH : rot 170:sc= 1.44 USER MOD Single : B 100 SER OG : rot 180:sc= 0 USER MOD Single : B 105 TYR OH : rot -85:sc= 1.09 USER MOD Single : B 111 THR OG1 : rot 17:sc= 2.15 USER MOD Single : B 112 ASN : amide:sc= 0.613 K(o=0.61,f=-0.31) USER MOD Single : B 114 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0538) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 6 -10.393 -12.317 -0.874 1.00 0.00 N ATOM 2 CA LYS A 6 -9.044 -11.925 -1.345 1.00 0.00 C ATOM 3 C LYS A 6 -8.738 -10.492 -0.931 1.00 0.00 C ATOM 4 O LYS A 6 -9.544 -9.591 -1.156 1.00 0.00 O ATOM 5 CB LYS A 6 -8.963 -12.058 -2.872 1.00 0.00 C ATOM 6 CG LYS A 6 -7.547 -11.995 -3.425 1.00 0.00 C ATOM 7 CD LYS A 6 -7.514 -12.334 -4.907 1.00 0.00 C ATOM 8 CE LYS A 6 -6.091 -12.363 -5.440 1.00 0.00 C ATOM 9 NZ LYS A 6 -6.041 -12.756 -6.872 1.00 0.00 N ATOM 0 HA LYS A 6 -8.307 -12.587 -0.890 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -9.416 -13.004 -3.168 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -9.555 -11.264 -3.327 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -7.138 -10.997 -3.270 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -6.910 -12.689 -2.877 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -7.985 -13.304 -5.070 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -8.097 -11.599 -5.462 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -5.638 -11.379 -5.318 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -5.497 -13.062 -4.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -5.050 -12.829 -7.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -6.510 -13.676 -6.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -6.528 -12.038 -7.446 1.00 0.00 H new ATOM 25 N THR A 7 -7.591 -10.291 -0.295 1.00 0.00 N ATOM 26 CA THR A 7 -7.177 -8.965 0.143 1.00 0.00 C ATOM 27 C THR A 7 -6.500 -8.210 -0.997 1.00 0.00 C ATOM 28 O THR A 7 -5.847 -8.819 -1.849 1.00 0.00 O ATOM 29 CB THR A 7 -6.195 -9.061 1.328 1.00 0.00 C ATOM 30 OG1 THR A 7 -6.672 -10.010 2.288 1.00 0.00 O ATOM 31 CG2 THR A 7 -6.012 -7.711 2.002 1.00 0.00 C ATOM 0 H THR A 7 -6.928 -11.033 -0.070 1.00 0.00 H new ATOM 0 HA THR A 7 -8.072 -8.428 0.457 1.00 0.00 H new ATOM 0 HB THR A 7 -5.232 -9.387 0.936 1.00 0.00 H new ATOM 0 HG1 THR A 7 -6.675 -10.905 1.889 1.00 0.00 H new ATOM 0 HG21 THR A 7 -5.314 -7.811 2.833 1.00 0.00 H new ATOM 0 HG22 THR A 7 -5.617 -6.995 1.281 1.00 0.00 H new ATOM 0 HG23 THR A 7 -6.973 -7.358 2.375 1.00 0.00 H new ATOM 39 N PHE A 8 -6.672 -6.892 -1.017 1.00 0.00 N ATOM 40 CA PHE A 8 -6.058 -6.050 -2.035 1.00 0.00 C ATOM 41 C PHE A 8 -5.649 -4.713 -1.424 1.00 0.00 C ATOM 42 O PHE A 8 -6.273 -4.241 -0.467 1.00 0.00 O ATOM 43 CB PHE A 8 -6.997 -5.840 -3.233 1.00 0.00 C ATOM 44 CG PHE A 8 -8.226 -5.021 -2.945 1.00 0.00 C ATOM 45 CD1 PHE A 8 -9.384 -5.628 -2.492 1.00 0.00 C ATOM 46 CD2 PHE A 8 -8.227 -3.650 -3.147 1.00 0.00 C ATOM 47 CE1 PHE A 8 -10.520 -4.884 -2.242 1.00 0.00 C ATOM 48 CE2 PHE A 8 -9.360 -2.902 -2.900 1.00 0.00 C ATOM 49 CZ PHE A 8 -10.509 -3.519 -2.447 1.00 0.00 C ATOM 0 H PHE A 8 -7.235 -6.383 -0.335 1.00 0.00 H new ATOM 0 HA PHE A 8 -5.168 -6.557 -2.407 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -6.437 -5.357 -4.034 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -7.309 -6.816 -3.606 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -9.399 -6.696 -2.332 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -7.331 -3.162 -3.502 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -11.417 -5.370 -1.886 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -9.348 -1.834 -3.061 1.00 0.00 H new ATOM 0 HZ PHE A 8 -11.397 -2.935 -2.254 1.00 0.00 H new ATOM 59 N LEU A 9 -4.600 -4.110 -1.964 1.00 0.00 N ATOM 60 CA LEU A 9 -4.112 -2.837 -1.452 1.00 0.00 C ATOM 61 C LEU A 9 -4.741 -1.665 -2.202 1.00 0.00 C ATOM 62 O LEU A 9 -4.658 -1.575 -3.427 1.00 0.00 O ATOM 63 CB LEU A 9 -2.580 -2.774 -1.549 1.00 0.00 C ATOM 64 CG LEU A 9 -1.890 -1.762 -0.623 1.00 0.00 C ATOM 65 CD1 LEU A 9 -1.823 -0.387 -1.273 1.00 0.00 C ATOM 66 CD2 LEU A 9 -2.605 -1.681 0.721 1.00 0.00 C ATOM 0 H LEU A 9 -4.072 -4.480 -2.754 1.00 0.00 H new ATOM 0 HA LEU A 9 -4.401 -2.761 -0.404 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -2.181 -3.765 -1.334 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -2.310 -2.538 -2.578 1.00 0.00 H new ATOM 0 HG LEU A 9 -0.871 -2.108 -0.450 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -1.330 0.311 -0.597 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -1.258 -0.451 -2.203 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.833 -0.035 -1.485 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -2.098 -0.958 1.360 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -3.637 -1.367 0.566 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -2.592 -2.660 1.200 1.00 0.00 H new ATOM 78 N SER A 10 -5.370 -0.772 -1.457 1.00 0.00 N ATOM 79 CA SER A 10 -6.002 0.398 -2.035 1.00 0.00 C ATOM 80 C SER A 10 -5.356 1.662 -1.477 1.00 0.00 C ATOM 81 O SER A 10 -5.533 1.999 -0.305 1.00 0.00 O ATOM 82 CB SER A 10 -7.504 0.383 -1.731 1.00 0.00 C ATOM 83 OG SER A 10 -8.221 1.244 -2.603 1.00 0.00 O ATOM 0 H SER A 10 -5.456 -0.838 -0.443 1.00 0.00 H new ATOM 0 HA SER A 10 -5.866 0.385 -3.116 1.00 0.00 H new ATOM 0 HB2 SER A 10 -7.885 -0.634 -1.827 1.00 0.00 H new ATOM 0 HB3 SER A 10 -7.670 0.689 -0.698 1.00 0.00 H new ATOM 0 HG SER A 10 -8.610 1.981 -2.088 1.00 0.00 H new ATOM 89 N ARG A 11 -4.586 2.352 -2.307 1.00 0.00 N ATOM 90 CA ARG A 11 -3.922 3.574 -1.880 1.00 0.00 C ATOM 91 C ARG A 11 -4.816 4.778 -2.132 1.00 0.00 C ATOM 92 O ARG A 11 -5.171 5.072 -3.275 1.00 0.00 O ATOM 93 CB ARG A 11 -2.591 3.751 -2.611 1.00 0.00 C ATOM 94 CG ARG A 11 -1.824 4.985 -2.172 1.00 0.00 C ATOM 95 CD ARG A 11 -0.593 4.616 -1.369 1.00 0.00 C ATOM 96 NE ARG A 11 0.570 4.405 -2.224 1.00 0.00 N ATOM 97 CZ ARG A 11 1.722 5.054 -2.070 1.00 0.00 C ATOM 98 NH1 ARG A 11 1.869 5.916 -1.074 1.00 0.00 N ATOM 99 NH2 ARG A 11 2.728 4.843 -2.904 1.00 0.00 N ATOM 0 H ARG A 11 -4.407 2.087 -3.276 1.00 0.00 H new ATOM 0 HA ARG A 11 -3.724 3.497 -0.811 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -1.973 2.869 -2.444 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -2.778 3.811 -3.683 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -1.529 5.562 -3.048 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -2.473 5.624 -1.573 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -0.377 5.407 -0.651 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -0.791 3.710 -0.796 1.00 0.00 H new ATOM 0 HE ARG A 11 0.497 3.724 -2.980 1.00 0.00 H new ATOM 0 HH11 ARG A 11 1.099 6.082 -0.425 1.00 0.00 H new ATOM 0 HH12 ARG A 11 2.752 6.413 -0.956 1.00 0.00 H new ATOM 0 HH21 ARG A 11 2.624 4.179 -3.671 1.00 0.00 H new ATOM 0 HH22 ARG A 11 3.608 5.344 -2.779 1.00 0.00 H new ATOM 113 N HIS A 12 -5.179 5.469 -1.065 1.00 0.00 N ATOM 114 CA HIS A 12 -6.037 6.640 -1.171 1.00 0.00 C ATOM 115 C HIS A 12 -5.265 7.892 -0.776 1.00 0.00 C ATOM 116 O HIS A 12 -4.303 7.809 -0.019 1.00 0.00 O ATOM 117 CB HIS A 12 -7.286 6.470 -0.296 1.00 0.00 C ATOM 118 CG HIS A 12 -8.214 5.388 -0.776 1.00 0.00 C ATOM 119 ND1 HIS A 12 -9.462 5.635 -1.309 1.00 0.00 N ATOM 120 CD2 HIS A 12 -8.061 4.046 -0.804 1.00 0.00 C ATOM 121 CE1 HIS A 12 -10.032 4.492 -1.638 1.00 0.00 C ATOM 122 NE2 HIS A 12 -9.202 3.509 -1.345 1.00 0.00 N ATOM 0 H HIS A 12 -4.893 5.240 -0.113 1.00 0.00 H new ATOM 0 HA HIS A 12 -6.361 6.747 -2.206 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -6.977 6.245 0.725 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -7.829 7.415 -0.264 1.00 0.00 H new ATOM 0 HD1 HIS A 12 -9.879 6.558 -1.430 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -7.197 3.495 -0.462 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -11.014 4.380 -2.074 1.00 0.00 H new ATOM 131 N SER A 13 -5.673 9.042 -1.292 1.00 0.00 N ATOM 132 CA SER A 13 -4.988 10.292 -0.984 1.00 0.00 C ATOM 133 C SER A 13 -5.968 11.456 -0.860 1.00 0.00 C ATOM 134 O SER A 13 -7.014 11.464 -1.515 1.00 0.00 O ATOM 135 CB SER A 13 -3.962 10.589 -2.079 1.00 0.00 C ATOM 136 OG SER A 13 -4.364 10.013 -3.315 1.00 0.00 O ATOM 0 H SER A 13 -6.469 9.137 -1.922 1.00 0.00 H new ATOM 0 HA SER A 13 -4.487 10.179 -0.023 1.00 0.00 H new ATOM 0 HB2 SER A 13 -3.848 11.667 -2.195 1.00 0.00 H new ATOM 0 HB3 SER A 13 -2.988 10.195 -1.788 1.00 0.00 H new ATOM 0 HG SER A 13 -4.108 9.067 -3.334 1.00 0.00 H new ATOM 142 N MET A 14 -5.621 12.420 -0.002 1.00 0.00 N ATOM 143 CA MET A 14 -6.434 13.621 0.230 1.00 0.00 C ATOM 144 C MET A 14 -7.878 13.272 0.584 1.00 0.00 C ATOM 145 O MET A 14 -8.158 12.814 1.691 1.00 0.00 O ATOM 146 CB MET A 14 -6.394 14.546 -0.990 1.00 0.00 C ATOM 147 CG MET A 14 -5.112 15.352 -1.096 1.00 0.00 C ATOM 148 SD MET A 14 -5.165 16.562 -2.433 1.00 0.00 S ATOM 149 CE MET A 14 -6.558 17.569 -1.920 1.00 0.00 C ATOM 0 H MET A 14 -4.766 12.391 0.554 1.00 0.00 H new ATOM 0 HA MET A 14 -6.002 14.143 1.084 1.00 0.00 H new ATOM 0 HB2 MET A 14 -6.514 13.948 -1.894 1.00 0.00 H new ATOM 0 HB3 MET A 14 -7.241 15.230 -0.946 1.00 0.00 H new ATOM 0 HG2 MET A 14 -4.931 15.866 -0.152 1.00 0.00 H new ATOM 0 HG3 MET A 14 -4.273 14.675 -1.256 1.00 0.00 H new ATOM 0 HE1 MET A 14 -6.471 18.562 -2.361 1.00 0.00 H new ATOM 0 HE2 MET A 14 -7.486 17.104 -2.254 1.00 0.00 H new ATOM 0 HE3 MET A 14 -6.565 17.654 -0.833 1.00 0.00 H new ATOM 159 N ASP A 15 -8.786 13.454 -0.371 1.00 0.00 N ATOM 160 CA ASP A 15 -10.204 13.163 -0.164 1.00 0.00 C ATOM 161 C ASP A 15 -10.478 11.675 -0.352 1.00 0.00 C ATOM 162 O ASP A 15 -11.579 11.270 -0.725 1.00 0.00 O ATOM 163 CB ASP A 15 -11.070 13.988 -1.122 1.00 0.00 C ATOM 164 CG ASP A 15 -10.715 13.768 -2.579 1.00 0.00 C ATOM 165 OD1 ASP A 15 -9.588 14.123 -2.979 1.00 0.00 O ATOM 166 OD2 ASP A 15 -11.565 13.253 -3.339 1.00 0.00 O ATOM 0 H ASP A 15 -8.564 13.804 -1.303 1.00 0.00 H new ATOM 0 HA ASP A 15 -10.462 13.437 0.859 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -12.118 13.733 -0.967 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -10.960 15.046 -0.883 1.00 0.00 H new ATOM 171 N MET A 16 -9.453 10.876 -0.078 1.00 0.00 N ATOM 172 CA MET A 16 -9.515 9.425 -0.188 1.00 0.00 C ATOM 173 C MET A 16 -9.659 8.984 -1.638 1.00 0.00 C ATOM 174 O MET A 16 -10.417 8.067 -1.943 1.00 0.00 O ATOM 175 CB MET A 16 -10.655 8.858 0.668 1.00 0.00 C ATOM 176 CG MET A 16 -10.216 7.727 1.582 1.00 0.00 C ATOM 177 SD MET A 16 -11.536 7.152 2.665 1.00 0.00 S ATOM 178 CE MET A 16 -10.682 5.875 3.588 1.00 0.00 C ATOM 0 H MET A 16 -8.545 11.223 0.231 1.00 0.00 H new ATOM 0 HA MET A 16 -8.574 9.026 0.190 1.00 0.00 H new ATOM 0 HB2 MET A 16 -11.080 9.660 1.272 1.00 0.00 H new ATOM 0 HB3 MET A 16 -11.448 8.499 0.012 1.00 0.00 H new ATOM 0 HG2 MET A 16 -9.860 6.894 0.976 1.00 0.00 H new ATOM 0 HG3 MET A 16 -9.375 8.062 2.189 1.00 0.00 H new ATOM 0 HE1 MET A 16 -11.369 5.422 4.303 1.00 0.00 H new ATOM 0 HE2 MET A 16 -10.318 5.111 2.901 1.00 0.00 H new ATOM 0 HE3 MET A 16 -9.839 6.314 4.122 1.00 0.00 H new ATOM 188 N LYS A 17 -8.911 9.630 -2.525 1.00 0.00 N ATOM 189 CA LYS A 17 -8.936 9.289 -3.945 1.00 0.00 C ATOM 190 C LYS A 17 -8.135 8.012 -4.204 1.00 0.00 C ATOM 191 O LYS A 17 -7.903 7.226 -3.290 1.00 0.00 O ATOM 192 CB LYS A 17 -8.373 10.437 -4.780 1.00 0.00 C ATOM 193 CG LYS A 17 -9.411 11.472 -5.166 1.00 0.00 C ATOM 194 CD LYS A 17 -8.864 12.453 -6.188 1.00 0.00 C ATOM 195 CE LYS A 17 -9.957 13.358 -6.725 1.00 0.00 C ATOM 196 NZ LYS A 17 -10.511 14.246 -5.671 1.00 0.00 N ATOM 0 H LYS A 17 -8.279 10.394 -2.287 1.00 0.00 H new ATOM 0 HA LYS A 17 -9.972 9.118 -4.237 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -7.576 10.926 -4.220 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -7.923 10.030 -5.686 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -10.290 10.973 -5.573 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -9.735 12.013 -4.277 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -8.080 13.058 -5.731 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -8.405 11.905 -7.011 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -9.558 13.965 -7.538 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -10.758 12.750 -7.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -10.988 15.056 -6.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -11.195 13.715 -5.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -9.739 14.589 -5.065 1.00 0.00 H new ATOM 210 N PHE A 18 -7.712 7.806 -5.441 1.00 0.00 N ATOM 211 CA PHE A 18 -6.945 6.618 -5.789 1.00 0.00 C ATOM 212 C PHE A 18 -5.608 6.993 -6.414 1.00 0.00 C ATOM 213 O PHE A 18 -5.550 7.409 -7.572 1.00 0.00 O ATOM 214 CB PHE A 18 -7.730 5.735 -6.759 1.00 0.00 C ATOM 215 CG PHE A 18 -8.931 5.070 -6.152 1.00 0.00 C ATOM 216 CD1 PHE A 18 -8.813 3.846 -5.514 1.00 0.00 C ATOM 217 CD2 PHE A 18 -10.180 5.662 -6.231 1.00 0.00 C ATOM 218 CE1 PHE A 18 -9.916 3.225 -4.965 1.00 0.00 C ATOM 219 CE2 PHE A 18 -11.288 5.044 -5.684 1.00 0.00 C ATOM 220 CZ PHE A 18 -11.156 3.824 -5.051 1.00 0.00 C ATOM 0 H PHE A 18 -7.885 8.443 -6.219 1.00 0.00 H new ATOM 0 HA PHE A 18 -6.760 6.065 -4.868 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -8.053 6.342 -7.605 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -7.064 4.967 -7.154 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -7.845 3.372 -5.445 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -10.289 6.616 -6.725 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -9.809 2.272 -4.469 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -12.257 5.515 -5.752 1.00 0.00 H new ATOM 0 HZ PHE A 18 -12.022 3.340 -4.624 1.00 0.00 H new ATOM 230 N THR A 19 -4.540 6.865 -5.642 1.00 0.00 N ATOM 231 CA THR A 19 -3.203 7.172 -6.132 1.00 0.00 C ATOM 232 C THR A 19 -2.548 5.916 -6.693 1.00 0.00 C ATOM 233 O THR A 19 -1.590 5.982 -7.467 1.00 0.00 O ATOM 234 CB THR A 19 -2.323 7.741 -5.007 1.00 0.00 C ATOM 235 OG1 THR A 19 -3.043 7.705 -3.768 1.00 0.00 O ATOM 236 CG2 THR A 19 -1.899 9.168 -5.318 1.00 0.00 C ATOM 0 H THR A 19 -4.572 6.550 -4.672 1.00 0.00 H new ATOM 0 HA THR A 19 -3.298 7.920 -6.919 1.00 0.00 H new ATOM 0 HB THR A 19 -1.425 7.128 -4.926 1.00 0.00 H new ATOM 0 HG1 THR A 19 -2.480 8.067 -3.052 1.00 0.00 H new ATOM 0 HG21 THR A 19 -1.277 9.548 -4.507 1.00 0.00 H new ATOM 0 HG22 THR A 19 -1.331 9.184 -6.248 1.00 0.00 H new ATOM 0 HG23 THR A 19 -2.784 9.796 -5.422 1.00 0.00 H new ATOM 244 N TYR A 20 -3.079 4.773 -6.282 1.00 0.00 N ATOM 245 CA TYR A 20 -2.587 3.476 -6.717 1.00 0.00 C ATOM 246 C TYR A 20 -3.576 2.397 -6.295 1.00 0.00 C ATOM 247 O TYR A 20 -3.909 2.278 -5.114 1.00 0.00 O ATOM 248 CB TYR A 20 -1.203 3.198 -6.117 1.00 0.00 C ATOM 249 CG TYR A 20 -0.650 1.831 -6.457 1.00 0.00 C ATOM 250 CD1 TYR A 20 -0.046 1.582 -7.687 1.00 0.00 C ATOM 251 CD2 TYR A 20 -0.736 0.786 -5.545 1.00 0.00 C ATOM 252 CE1 TYR A 20 0.453 0.330 -7.994 1.00 0.00 C ATOM 253 CE2 TYR A 20 -0.241 -0.465 -5.846 1.00 0.00 C ATOM 254 CZ TYR A 20 0.349 -0.689 -7.069 1.00 0.00 C ATOM 255 OH TYR A 20 0.834 -1.940 -7.370 1.00 0.00 O ATOM 0 H TYR A 20 -3.866 4.720 -5.635 1.00 0.00 H new ATOM 0 HA TYR A 20 -2.491 3.473 -7.803 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -0.506 3.959 -6.469 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -1.262 3.296 -5.033 1.00 0.00 H new ATOM 0 HD1 TYR A 20 0.034 2.379 -8.412 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -1.198 0.957 -4.584 1.00 0.00 H new ATOM 0 HE1 TYR A 20 0.921 0.151 -8.951 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -0.316 -1.266 -5.125 1.00 0.00 H new ATOM 0 HH TYR A 20 1.297 -1.912 -8.233 1.00 0.00 H new ATOM 265 N CYS A 21 -4.050 1.618 -7.248 1.00 0.00 N ATOM 266 CA CYS A 21 -5.010 0.572 -6.946 1.00 0.00 C ATOM 267 C CYS A 21 -4.424 -0.804 -7.223 1.00 0.00 C ATOM 268 O CYS A 21 -3.480 -0.947 -8.000 1.00 0.00 O ATOM 269 CB CYS A 21 -6.286 0.769 -7.763 1.00 0.00 C ATOM 270 SG CYS A 21 -6.783 2.496 -7.959 1.00 0.00 S ATOM 0 H CYS A 21 -3.789 1.688 -8.232 1.00 0.00 H new ATOM 0 HA CYS A 21 -5.253 0.635 -5.885 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -6.143 0.330 -8.750 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -7.098 0.221 -7.285 1.00 0.00 H new ATOM 0 HG CYS A 21 -7.625 2.814 -7.021 1.00 0.00 H new ATOM 276 N ASP A 22 -4.989 -1.807 -6.574 1.00 0.00 N ATOM 277 CA ASP A 22 -4.550 -3.185 -6.740 1.00 0.00 C ATOM 278 C ASP A 22 -5.258 -3.816 -7.930 1.00 0.00 C ATOM 279 O ASP A 22 -6.383 -3.440 -8.251 1.00 0.00 O ATOM 280 CB ASP A 22 -4.871 -3.981 -5.474 1.00 0.00 C ATOM 281 CG ASP A 22 -4.008 -5.212 -5.310 1.00 0.00 C ATOM 282 OD1 ASP A 22 -4.009 -6.074 -6.211 1.00 0.00 O ATOM 283 OD2 ASP A 22 -3.333 -5.321 -4.268 1.00 0.00 O ATOM 0 H ASP A 22 -5.762 -1.692 -5.919 1.00 0.00 H new ATOM 0 HA ASP A 22 -3.474 -3.198 -6.916 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -4.742 -3.336 -4.605 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -5.919 -4.280 -5.496 1.00 0.00 H new ATOM 288 N ASP A 23 -4.613 -4.775 -8.578 1.00 0.00 N ATOM 289 CA ASP A 23 -5.214 -5.448 -9.724 1.00 0.00 C ATOM 290 C ASP A 23 -6.319 -6.386 -9.251 1.00 0.00 C ATOM 291 O ASP A 23 -7.213 -6.755 -10.012 1.00 0.00 O ATOM 292 CB ASP A 23 -4.152 -6.210 -10.534 1.00 0.00 C ATOM 293 CG ASP A 23 -4.122 -7.707 -10.259 1.00 0.00 C ATOM 294 OD1 ASP A 23 -4.912 -8.448 -10.879 1.00 0.00 O ATOM 295 OD2 ASP A 23 -3.282 -8.153 -9.446 1.00 0.00 O ATOM 0 H ASP A 23 -3.679 -5.104 -8.333 1.00 0.00 H new ATOM 0 HA ASP A 23 -5.651 -4.697 -10.382 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -4.335 -6.049 -11.596 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -3.171 -5.790 -10.313 1.00 0.00 H new ATOM 300 N ARG A 24 -6.267 -6.735 -7.971 1.00 0.00 N ATOM 301 CA ARG A 24 -7.253 -7.624 -7.370 1.00 0.00 C ATOM 302 C ARG A 24 -8.618 -6.946 -7.254 1.00 0.00 C ATOM 303 O ARG A 24 -9.638 -7.613 -7.098 1.00 0.00 O ATOM 304 CB ARG A 24 -6.775 -8.072 -5.989 1.00 0.00 C ATOM 305 CG ARG A 24 -5.473 -8.851 -6.027 1.00 0.00 C ATOM 306 CD ARG A 24 -4.755 -8.801 -4.690 1.00 0.00 C ATOM 307 NE ARG A 24 -3.447 -9.449 -4.749 1.00 0.00 N ATOM 308 CZ ARG A 24 -3.037 -10.374 -3.886 1.00 0.00 C ATOM 309 NH1 ARG A 24 -3.805 -10.704 -2.856 1.00 0.00 N ATOM 310 NH2 ARG A 24 -1.846 -10.939 -4.034 1.00 0.00 N ATOM 0 H ARG A 24 -5.546 -6.413 -7.325 1.00 0.00 H new ATOM 0 HA ARG A 24 -7.363 -8.493 -8.018 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -6.647 -7.195 -5.354 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -7.546 -8.689 -5.528 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -5.676 -9.888 -6.293 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -4.826 -8.443 -6.804 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -4.632 -7.762 -4.383 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -5.367 -9.288 -3.931 1.00 0.00 H new ATOM 0 HE ARG A 24 -2.810 -9.175 -5.497 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -4.708 -10.248 -2.727 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -3.492 -11.413 -2.193 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -1.244 -10.664 -4.810 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -1.532 -11.648 -3.372 1.00 0.00 H new ATOM 324 N ILE A 25 -8.640 -5.623 -7.347 1.00 0.00 N ATOM 325 CA ILE A 25 -9.892 -4.882 -7.240 1.00 0.00 C ATOM 326 C ILE A 25 -10.779 -5.134 -8.461 1.00 0.00 C ATOM 327 O ILE A 25 -12.007 -5.039 -8.383 1.00 0.00 O ATOM 328 CB ILE A 25 -9.641 -3.362 -7.057 1.00 0.00 C ATOM 329 CG1 ILE A 25 -10.853 -2.695 -6.403 1.00 0.00 C ATOM 330 CG2 ILE A 25 -9.322 -2.688 -8.385 1.00 0.00 C ATOM 331 CD1 ILE A 25 -10.596 -1.268 -5.967 1.00 0.00 C ATOM 0 H ILE A 25 -7.813 -5.044 -7.495 1.00 0.00 H new ATOM 0 HA ILE A 25 -10.411 -5.244 -6.352 1.00 0.00 H new ATOM 0 HB ILE A 25 -8.776 -3.244 -6.404 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -11.687 -2.707 -7.105 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -11.157 -3.282 -5.536 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -9.152 -1.624 -8.221 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -8.427 -3.137 -8.815 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -10.159 -2.820 -9.070 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -11.498 -0.858 -5.512 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -9.783 -1.250 -5.241 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -10.322 -0.667 -6.834 1.00 0.00 H new ATOM 343 N THR A 26 -10.152 -5.498 -9.575 1.00 0.00 N ATOM 344 CA THR A 26 -10.870 -5.763 -10.814 1.00 0.00 C ATOM 345 C THR A 26 -11.667 -7.063 -10.736 1.00 0.00 C ATOM 346 O THR A 26 -12.770 -7.160 -11.272 1.00 0.00 O ATOM 347 CB THR A 26 -9.896 -5.856 -12.002 1.00 0.00 C ATOM 348 OG1 THR A 26 -8.669 -5.186 -11.681 1.00 0.00 O ATOM 349 CG2 THR A 26 -10.507 -5.240 -13.252 1.00 0.00 C ATOM 0 H THR A 26 -9.141 -5.616 -9.643 1.00 0.00 H new ATOM 0 HA THR A 26 -11.558 -4.931 -10.962 1.00 0.00 H new ATOM 0 HB THR A 26 -9.694 -6.909 -12.199 1.00 0.00 H new ATOM 0 HG1 THR A 26 -8.072 -5.805 -11.211 1.00 0.00 H new ATOM 0 HG21 THR A 26 -9.800 -5.317 -14.078 1.00 0.00 H new ATOM 0 HG22 THR A 26 -11.424 -5.770 -13.508 1.00 0.00 H new ATOM 0 HG23 THR A 26 -10.735 -4.190 -13.066 1.00 0.00 H new ATOM 357 N GLU A 27 -11.114 -8.055 -10.052 1.00 0.00 N ATOM 358 CA GLU A 27 -11.767 -9.351 -9.929 1.00 0.00 C ATOM 359 C GLU A 27 -12.746 -9.374 -8.759 1.00 0.00 C ATOM 360 O GLU A 27 -13.518 -10.321 -8.604 1.00 0.00 O ATOM 361 CB GLU A 27 -10.720 -10.456 -9.758 1.00 0.00 C ATOM 362 CG GLU A 27 -9.949 -10.376 -8.452 1.00 0.00 C ATOM 363 CD GLU A 27 -8.926 -11.478 -8.313 1.00 0.00 C ATOM 364 OE1 GLU A 27 -9.311 -12.665 -8.375 1.00 0.00 O ATOM 365 OE2 GLU A 27 -7.731 -11.162 -8.142 1.00 0.00 O ATOM 0 H GLU A 27 -10.215 -7.987 -9.574 1.00 0.00 H new ATOM 0 HA GLU A 27 -12.332 -9.528 -10.844 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -11.216 -11.425 -9.817 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -10.015 -10.407 -10.588 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -9.448 -9.410 -8.389 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -10.649 -10.427 -7.618 1.00 0.00 H new ATOM 372 N LEU A 28 -12.717 -8.334 -7.938 1.00 0.00 N ATOM 373 CA LEU A 28 -13.597 -8.262 -6.780 1.00 0.00 C ATOM 374 C LEU A 28 -14.734 -7.267 -6.995 1.00 0.00 C ATOM 375 O LEU A 28 -15.908 -7.638 -6.965 1.00 0.00 O ATOM 376 CB LEU A 28 -12.793 -7.888 -5.533 1.00 0.00 C ATOM 377 CG LEU A 28 -11.742 -8.919 -5.116 1.00 0.00 C ATOM 378 CD1 LEU A 28 -10.839 -8.353 -4.034 1.00 0.00 C ATOM 379 CD2 LEU A 28 -12.412 -10.193 -4.632 1.00 0.00 C ATOM 0 H LEU A 28 -12.097 -7.532 -8.051 1.00 0.00 H new ATOM 0 HA LEU A 28 -14.044 -9.246 -6.639 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -12.296 -6.934 -5.710 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -13.484 -7.738 -4.703 1.00 0.00 H new ATOM 0 HG LEU A 28 -11.130 -9.157 -5.986 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -10.098 -9.101 -3.750 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -10.332 -7.465 -4.411 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -11.438 -8.087 -3.163 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -11.651 -10.916 -4.339 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -13.047 -9.967 -3.775 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -13.020 -10.611 -5.434 1.00 0.00 H new ATOM 391 N ILE A 29 -14.384 -6.008 -7.219 1.00 0.00 N ATOM 392 CA ILE A 29 -15.377 -4.964 -7.426 1.00 0.00 C ATOM 393 C ILE A 29 -15.761 -4.865 -8.902 1.00 0.00 C ATOM 394 O ILE A 29 -16.915 -4.593 -9.243 1.00 0.00 O ATOM 395 CB ILE A 29 -14.855 -3.599 -6.919 1.00 0.00 C ATOM 396 CG1 ILE A 29 -14.581 -3.670 -5.411 1.00 0.00 C ATOM 397 CG2 ILE A 29 -15.850 -2.489 -7.230 1.00 0.00 C ATOM 398 CD1 ILE A 29 -14.065 -2.376 -4.818 1.00 0.00 C ATOM 0 H ILE A 29 -13.418 -5.685 -7.262 1.00 0.00 H new ATOM 0 HA ILE A 29 -16.265 -5.230 -6.853 1.00 0.00 H new ATOM 0 HB ILE A 29 -13.923 -3.370 -7.436 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -15.500 -3.952 -4.898 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -13.855 -4.460 -5.221 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -15.461 -1.539 -6.864 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -16.002 -2.428 -8.308 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -16.800 -2.705 -6.741 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -13.896 -2.507 -3.749 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -13.128 -2.102 -5.303 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -14.799 -1.586 -4.975 1.00 0.00 H new ATOM 410 N GLY A 30 -14.792 -5.095 -9.774 1.00 0.00 N ATOM 411 CA GLY A 30 -15.052 -5.037 -11.200 1.00 0.00 C ATOM 412 C GLY A 30 -14.429 -3.819 -11.844 1.00 0.00 C ATOM 413 O GLY A 30 -14.222 -3.783 -13.058 1.00 0.00 O ATOM 0 H GLY A 30 -13.830 -5.321 -9.522 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -14.662 -5.937 -11.676 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -16.128 -5.026 -11.371 1.00 0.00 H new ATOM 417 N TYR A 31 -14.126 -2.823 -11.026 1.00 0.00 N ATOM 418 CA TYR A 31 -13.522 -1.590 -11.507 1.00 0.00 C ATOM 419 C TYR A 31 -12.030 -1.786 -11.731 1.00 0.00 C ATOM 420 O TYR A 31 -11.332 -2.312 -10.867 1.00 0.00 O ATOM 421 CB TYR A 31 -13.747 -0.453 -10.502 1.00 0.00 C ATOM 422 CG TYR A 31 -15.062 0.273 -10.671 1.00 0.00 C ATOM 423 CD1 TYR A 31 -15.294 1.075 -11.780 1.00 0.00 C ATOM 424 CD2 TYR A 31 -16.067 0.164 -9.718 1.00 0.00 C ATOM 425 CE1 TYR A 31 -16.491 1.745 -11.936 1.00 0.00 C ATOM 426 CE2 TYR A 31 -17.267 0.832 -9.867 1.00 0.00 C ATOM 427 CZ TYR A 31 -17.474 1.620 -10.977 1.00 0.00 C ATOM 428 OH TYR A 31 -18.669 2.287 -11.135 1.00 0.00 O ATOM 0 H TYR A 31 -14.290 -2.845 -10.019 1.00 0.00 H new ATOM 0 HA TYR A 31 -13.994 -1.325 -12.453 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -13.697 -0.861 -9.492 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -12.933 0.266 -10.596 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -14.526 1.176 -12.533 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -15.907 -0.453 -8.846 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -16.657 2.364 -12.805 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -18.038 0.737 -9.117 1.00 0.00 H new ATOM 0 HH TYR A 31 -19.255 2.093 -10.374 1.00 0.00 H new ATOM 438 N HIS A 32 -11.553 -1.385 -12.900 1.00 0.00 N ATOM 439 CA HIS A 32 -10.137 -1.500 -13.219 1.00 0.00 C ATOM 440 C HIS A 32 -9.357 -0.460 -12.419 1.00 0.00 C ATOM 441 O HIS A 32 -9.772 0.694 -12.346 1.00 0.00 O ATOM 442 CB HIS A 32 -9.906 -1.293 -14.723 1.00 0.00 C ATOM 443 CG HIS A 32 -8.825 -2.158 -15.298 1.00 0.00 C ATOM 444 ND1 HIS A 32 -7.478 -2.020 -15.293 1.00 0.00 N flip ATOM 445 CD2 HIS A 32 -9.082 -3.322 -15.985 1.00 0.00 C flip ATOM 446 CE1 HIS A 32 -6.954 -3.096 -15.964 1.00 0.00 C flip ATOM 447 NE2 HIS A 32 -7.945 -3.867 -16.369 1.00 0.00 N flip ATOM 0 H HIS A 32 -12.123 -0.978 -13.642 1.00 0.00 H new ATOM 0 HA HIS A 32 -9.790 -2.499 -12.955 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -10.837 -1.491 -15.254 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -9.654 -0.248 -14.901 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -10.064 -3.727 -16.180 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -5.903 -3.281 -16.133 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -7.848 -4.738 -16.891 1.00 0.00 H new ATOM 456 N PRO A 33 -8.230 -0.855 -11.804 1.00 0.00 N ATOM 457 CA PRO A 33 -7.391 0.041 -10.999 1.00 0.00 C ATOM 458 C PRO A 33 -7.100 1.378 -11.688 1.00 0.00 C ATOM 459 O PRO A 33 -7.248 2.444 -11.088 1.00 0.00 O ATOM 460 CB PRO A 33 -6.085 -0.754 -10.805 1.00 0.00 C ATOM 461 CG PRO A 33 -6.216 -1.979 -11.652 1.00 0.00 C ATOM 462 CD PRO A 33 -7.684 -2.216 -11.821 1.00 0.00 C ATOM 0 HA PRO A 33 -7.888 0.312 -10.068 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -5.220 -0.163 -11.106 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -5.941 -1.018 -9.757 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -5.731 -1.838 -12.618 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -5.736 -2.834 -11.176 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -7.907 -2.731 -12.756 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -8.092 -2.827 -11.016 1.00 0.00 H new ATOM 470 N GLU A 34 -6.709 1.310 -12.956 1.00 0.00 N ATOM 471 CA GLU A 34 -6.384 2.502 -13.738 1.00 0.00 C ATOM 472 C GLU A 34 -7.611 3.391 -13.952 1.00 0.00 C ATOM 473 O GLU A 34 -7.487 4.607 -14.112 1.00 0.00 O ATOM 474 CB GLU A 34 -5.808 2.102 -15.099 1.00 0.00 C ATOM 475 CG GLU A 34 -5.062 0.779 -15.089 1.00 0.00 C ATOM 476 CD GLU A 34 -3.765 0.837 -14.313 1.00 0.00 C ATOM 477 OE1 GLU A 34 -2.746 1.261 -14.893 1.00 0.00 O ATOM 478 OE2 GLU A 34 -3.755 0.436 -13.132 1.00 0.00 O ATOM 0 H GLU A 34 -6.608 0.435 -13.470 1.00 0.00 H new ATOM 0 HA GLU A 34 -5.643 3.068 -13.173 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.621 2.044 -15.823 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.132 2.886 -15.441 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -5.703 0.010 -14.657 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -4.852 0.479 -16.116 1.00 0.00 H new ATOM 485 N GLU A 35 -8.790 2.781 -13.941 1.00 0.00 N ATOM 486 CA GLU A 35 -10.035 3.510 -14.150 1.00 0.00 C ATOM 487 C GLU A 35 -10.455 4.276 -12.901 1.00 0.00 C ATOM 488 O GLU A 35 -11.314 5.154 -12.963 1.00 0.00 O ATOM 489 CB GLU A 35 -11.150 2.547 -14.559 1.00 0.00 C ATOM 490 CG GLU A 35 -11.333 2.433 -16.060 1.00 0.00 C ATOM 491 CD GLU A 35 -11.713 3.757 -16.692 1.00 0.00 C ATOM 492 OE1 GLU A 35 -12.920 4.062 -16.771 1.00 0.00 O ATOM 493 OE2 GLU A 35 -10.803 4.503 -17.104 1.00 0.00 O ATOM 0 H GLU A 35 -8.910 1.780 -13.789 1.00 0.00 H new ATOM 0 HA GLU A 35 -9.862 4.231 -14.949 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -10.933 1.559 -14.152 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -12.087 2.878 -14.111 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -10.410 2.069 -16.510 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -12.105 1.695 -16.275 1.00 0.00 H new ATOM 500 N LEU A 36 -9.864 3.932 -11.769 1.00 0.00 N ATOM 501 CA LEU A 36 -10.187 4.595 -10.514 1.00 0.00 C ATOM 502 C LEU A 36 -9.162 5.676 -10.192 1.00 0.00 C ATOM 503 O LEU A 36 -9.398 6.541 -9.352 1.00 0.00 O ATOM 504 CB LEU A 36 -10.242 3.570 -9.378 1.00 0.00 C ATOM 505 CG LEU A 36 -11.290 2.467 -9.546 1.00 0.00 C ATOM 506 CD1 LEU A 36 -11.185 1.459 -8.415 1.00 0.00 C ATOM 507 CD2 LEU A 36 -12.686 3.064 -9.594 1.00 0.00 C ATOM 0 H LEU A 36 -9.159 3.199 -11.692 1.00 0.00 H new ATOM 0 HA LEU A 36 -11.164 5.068 -10.618 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -9.261 3.105 -9.282 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -10.438 4.097 -8.444 1.00 0.00 H new ATOM 0 HG LEU A 36 -11.101 1.952 -10.488 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -11.937 0.682 -8.550 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -10.192 1.009 -8.420 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -11.350 1.962 -7.462 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -13.419 2.266 -9.714 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -12.884 3.602 -8.667 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -12.758 3.753 -10.436 1.00 0.00 H new ATOM 519 N LEU A 37 -8.032 5.628 -10.885 1.00 0.00 N ATOM 520 CA LEU A 37 -6.949 6.583 -10.672 1.00 0.00 C ATOM 521 C LEU A 37 -7.318 7.982 -11.165 1.00 0.00 C ATOM 522 O LEU A 37 -7.204 8.282 -12.354 1.00 0.00 O ATOM 523 CB LEU A 37 -5.681 6.109 -11.388 1.00 0.00 C ATOM 524 CG LEU A 37 -5.139 4.751 -10.945 1.00 0.00 C ATOM 525 CD1 LEU A 37 -4.015 4.304 -11.867 1.00 0.00 C ATOM 526 CD2 LEU A 37 -4.656 4.814 -9.505 1.00 0.00 C ATOM 0 H LEU A 37 -7.839 4.932 -11.606 1.00 0.00 H new ATOM 0 HA LEU A 37 -6.771 6.639 -9.598 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.884 6.067 -12.458 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -4.902 6.856 -11.241 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.945 4.020 -11.004 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.639 3.335 -11.539 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.392 4.221 -12.886 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.207 5.036 -11.837 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.273 3.838 -9.207 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.863 5.556 -9.420 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.485 5.093 -8.855 1.00 0.00 H new ATOM 538 N GLY A 38 -7.767 8.833 -10.252 1.00 0.00 N ATOM 539 CA GLY A 38 -8.120 10.192 -10.619 1.00 0.00 C ATOM 540 C GLY A 38 -9.522 10.578 -10.202 1.00 0.00 C ATOM 541 O GLY A 38 -9.755 11.706 -9.764 1.00 0.00 O ATOM 0 H GLY A 38 -7.893 8.608 -9.265 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -7.410 10.881 -10.162 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -8.025 10.306 -11.699 1.00 0.00 H new ATOM 545 N ARG A 39 -10.457 9.650 -10.340 1.00 0.00 N ATOM 546 CA ARG A 39 -11.842 9.911 -9.977 1.00 0.00 C ATOM 547 C ARG A 39 -12.005 9.942 -8.461 1.00 0.00 C ATOM 548 O ARG A 39 -11.116 9.516 -7.719 1.00 0.00 O ATOM 549 CB ARG A 39 -12.770 8.852 -10.587 1.00 0.00 C ATOM 550 CG ARG A 39 -12.783 7.534 -9.830 1.00 0.00 C ATOM 551 CD ARG A 39 -13.903 6.629 -10.313 1.00 0.00 C ATOM 552 NE ARG A 39 -13.586 5.990 -11.589 1.00 0.00 N ATOM 553 CZ ARG A 39 -14.490 5.421 -12.386 1.00 0.00 C ATOM 554 NH1 ARG A 39 -15.778 5.428 -12.056 1.00 0.00 N ATOM 555 NH2 ARG A 39 -14.099 4.852 -13.517 1.00 0.00 N ATOM 0 H ARG A 39 -10.283 8.712 -10.700 1.00 0.00 H new ATOM 0 HA ARG A 39 -12.118 10.887 -10.376 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -13.784 9.249 -10.622 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -12.465 8.665 -11.617 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -11.825 7.030 -9.958 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -12.903 7.726 -8.764 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -14.097 5.862 -9.563 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -14.818 7.211 -10.418 1.00 0.00 H new ATOM 0 HE ARG A 39 -12.611 5.979 -11.888 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -16.080 5.871 -11.188 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -16.464 4.991 -12.671 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -13.112 4.851 -13.773 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -14.785 4.415 -14.132 1.00 0.00 H new ATOM 569 N SER A 40 -13.137 10.451 -8.005 1.00 0.00 N ATOM 570 CA SER A 40 -13.412 10.524 -6.581 1.00 0.00 C ATOM 571 C SER A 40 -13.983 9.195 -6.099 1.00 0.00 C ATOM 572 O SER A 40 -14.840 8.607 -6.759 1.00 0.00 O ATOM 573 CB SER A 40 -14.393 11.664 -6.288 1.00 0.00 C ATOM 574 OG SER A 40 -14.389 12.622 -7.337 1.00 0.00 O ATOM 0 H SER A 40 -13.879 10.819 -8.600 1.00 0.00 H new ATOM 0 HA SER A 40 -12.483 10.724 -6.048 1.00 0.00 H new ATOM 0 HB2 SER A 40 -15.398 11.261 -6.163 1.00 0.00 H new ATOM 0 HB3 SER A 40 -14.124 12.147 -5.349 1.00 0.00 H new ATOM 0 HG SER A 40 -14.943 12.298 -8.078 1.00 0.00 H new ATOM 580 N ALA A 41 -13.512 8.724 -4.955 1.00 0.00 N ATOM 581 CA ALA A 41 -13.981 7.459 -4.408 1.00 0.00 C ATOM 582 C ALA A 41 -15.394 7.606 -3.865 1.00 0.00 C ATOM 583 O ALA A 41 -16.156 6.643 -3.810 1.00 0.00 O ATOM 584 CB ALA A 41 -13.041 6.971 -3.318 1.00 0.00 C ATOM 0 H ALA A 41 -12.808 9.196 -4.388 1.00 0.00 H new ATOM 0 HA ALA A 41 -13.994 6.720 -5.209 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -13.406 6.024 -2.920 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -12.044 6.829 -3.734 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -12.998 7.709 -2.517 1.00 0.00 H new ATOM 590 N TYR A 42 -15.742 8.834 -3.498 1.00 0.00 N ATOM 591 CA TYR A 42 -17.054 9.137 -2.944 1.00 0.00 C ATOM 592 C TYR A 42 -18.166 8.992 -3.981 1.00 0.00 C ATOM 593 O TYR A 42 -19.337 8.889 -3.622 1.00 0.00 O ATOM 594 CB TYR A 42 -17.059 10.548 -2.355 1.00 0.00 C ATOM 595 CG TYR A 42 -16.606 10.587 -0.916 1.00 0.00 C ATOM 596 CD1 TYR A 42 -17.520 10.429 0.116 1.00 0.00 C ATOM 597 CD2 TYR A 42 -15.268 10.766 -0.587 1.00 0.00 C ATOM 598 CE1 TYR A 42 -17.118 10.452 1.434 1.00 0.00 C ATOM 599 CE2 TYR A 42 -14.856 10.786 0.733 1.00 0.00 C ATOM 600 CZ TYR A 42 -15.786 10.628 1.740 1.00 0.00 C ATOM 601 OH TYR A 42 -15.385 10.644 3.057 1.00 0.00 O ATOM 0 H TYR A 42 -15.126 9.643 -3.576 1.00 0.00 H new ATOM 0 HA TYR A 42 -17.253 8.412 -2.155 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -16.409 11.188 -2.952 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -18.065 10.962 -2.425 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -18.565 10.286 -0.118 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -14.539 10.891 -1.374 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -17.844 10.333 2.224 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -13.812 10.924 0.974 1.00 0.00 H new ATOM 0 HH TYR A 42 -14.426 10.447 3.110 1.00 0.00 H new ATOM 611 N GLU A 43 -17.793 8.960 -5.258 1.00 0.00 N ATOM 612 CA GLU A 43 -18.769 8.823 -6.341 1.00 0.00 C ATOM 613 C GLU A 43 -19.473 7.473 -6.267 1.00 0.00 C ATOM 614 O GLU A 43 -20.628 7.333 -6.671 1.00 0.00 O ATOM 615 CB GLU A 43 -18.086 8.955 -7.702 1.00 0.00 C ATOM 616 CG GLU A 43 -17.370 10.277 -7.907 1.00 0.00 C ATOM 617 CD GLU A 43 -16.493 10.271 -9.142 1.00 0.00 C ATOM 618 OE1 GLU A 43 -16.692 9.399 -10.016 1.00 0.00 O ATOM 619 OE2 GLU A 43 -15.602 11.143 -9.248 1.00 0.00 O ATOM 0 H GLU A 43 -16.824 9.027 -5.570 1.00 0.00 H new ATOM 0 HA GLU A 43 -19.504 9.619 -6.226 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -17.368 8.143 -7.817 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -18.834 8.833 -8.486 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -18.106 11.077 -7.991 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -16.759 10.496 -7.031 1.00 0.00 H new ATOM 626 N PHE A 44 -18.767 6.482 -5.747 1.00 0.00 N ATOM 627 CA PHE A 44 -19.310 5.139 -5.625 1.00 0.00 C ATOM 628 C PHE A 44 -19.072 4.599 -4.222 1.00 0.00 C ATOM 629 O PHE A 44 -18.979 3.388 -4.010 1.00 0.00 O ATOM 630 CB PHE A 44 -18.678 4.210 -6.676 1.00 0.00 C ATOM 631 CG PHE A 44 -17.177 4.124 -6.603 1.00 0.00 C ATOM 632 CD1 PHE A 44 -16.385 5.104 -7.180 1.00 0.00 C ATOM 633 CD2 PHE A 44 -16.558 3.063 -5.961 1.00 0.00 C ATOM 634 CE1 PHE A 44 -15.008 5.030 -7.117 1.00 0.00 C ATOM 635 CE2 PHE A 44 -15.182 2.984 -5.894 1.00 0.00 C ATOM 636 CZ PHE A 44 -14.407 3.969 -6.474 1.00 0.00 C ATOM 0 H PHE A 44 -17.813 6.583 -5.401 1.00 0.00 H new ATOM 0 HA PHE A 44 -20.385 5.179 -5.802 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -19.094 3.210 -6.557 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -18.963 4.557 -7.669 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -16.851 5.937 -7.686 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -17.160 2.289 -5.508 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -14.403 5.801 -7.570 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -14.712 2.153 -5.389 1.00 0.00 H new ATOM 0 HZ PHE A 44 -13.330 3.908 -6.424 1.00 0.00 H new ATOM 646 N TYR A 45 -18.989 5.505 -3.255 1.00 0.00 N ATOM 647 CA TYR A 45 -18.755 5.115 -1.873 1.00 0.00 C ATOM 648 C TYR A 45 -20.029 4.586 -1.229 1.00 0.00 C ATOM 649 O TYR A 45 -20.561 5.179 -0.286 1.00 0.00 O ATOM 650 CB TYR A 45 -18.187 6.277 -1.054 1.00 0.00 C ATOM 651 CG TYR A 45 -16.717 6.114 -0.717 1.00 0.00 C ATOM 652 CD1 TYR A 45 -16.052 4.917 -0.969 1.00 0.00 C ATOM 653 CD2 TYR A 45 -15.993 7.157 -0.153 1.00 0.00 C ATOM 654 CE1 TYR A 45 -14.712 4.768 -0.667 1.00 0.00 C ATOM 655 CE2 TYR A 45 -14.652 7.013 0.149 1.00 0.00 C ATOM 656 CZ TYR A 45 -14.017 5.819 -0.110 1.00 0.00 C ATOM 657 OH TYR A 45 -12.683 5.675 0.192 1.00 0.00 O ATOM 0 H TYR A 45 -19.080 6.510 -3.403 1.00 0.00 H new ATOM 0 HA TYR A 45 -18.016 4.314 -1.883 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -18.324 7.205 -1.610 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -18.756 6.372 -0.129 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -16.593 4.091 -1.408 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -16.486 8.096 0.053 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -14.212 3.832 -0.867 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -14.104 7.834 0.587 1.00 0.00 H new ATOM 0 HH TYR A 45 -12.414 6.373 0.825 1.00 0.00 H new ATOM 667 N HIS A 46 -20.502 3.457 -1.760 1.00 0.00 N ATOM 668 CA HIS A 46 -21.699 2.773 -1.267 1.00 0.00 C ATOM 669 C HIS A 46 -22.952 3.586 -1.557 1.00 0.00 C ATOM 670 O HIS A 46 -22.890 4.657 -2.160 1.00 0.00 O ATOM 671 CB HIS A 46 -21.604 2.490 0.241 1.00 0.00 C ATOM 672 CG HIS A 46 -20.240 2.078 0.703 1.00 0.00 C ATOM 673 ND1 HIS A 46 -19.669 2.534 1.873 1.00 0.00 N ATOM 674 CD2 HIS A 46 -19.320 1.272 0.129 1.00 0.00 C ATOM 675 CE1 HIS A 46 -18.458 2.029 1.992 1.00 0.00 C ATOM 676 NE2 HIS A 46 -18.222 1.261 0.947 1.00 0.00 N ATOM 0 H HIS A 46 -20.061 2.988 -2.551 1.00 0.00 H new ATOM 0 HA HIS A 46 -21.764 1.822 -1.795 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -21.906 3.384 0.787 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -22.315 1.705 0.498 1.00 0.00 H new ATOM 0 HD1 HIS A 46 -20.114 3.163 2.541 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -19.430 0.736 -0.802 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -17.774 2.213 2.808 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -17.361 0.742 0.775 1.00 0.00 H new ATOM 685 N ALA A 47 -24.090 3.063 -1.136 1.00 0.00 N ATOM 686 CA ALA A 47 -25.356 3.744 -1.338 1.00 0.00 C ATOM 687 C ALA A 47 -25.882 4.267 -0.011 1.00 0.00 C ATOM 688 O ALA A 47 -26.165 5.453 0.135 1.00 0.00 O ATOM 689 CB ALA A 47 -26.365 2.810 -1.989 1.00 0.00 C ATOM 0 H ALA A 47 -24.163 2.168 -0.652 1.00 0.00 H new ATOM 0 HA ALA A 47 -25.199 4.590 -2.007 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -27.308 3.337 -2.133 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -25.983 2.478 -2.955 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -26.527 1.945 -1.346 1.00 0.00 H new ATOM 695 N LEU A 48 -25.979 3.376 0.963 1.00 0.00 N ATOM 696 CA LEU A 48 -26.473 3.739 2.282 1.00 0.00 C ATOM 697 C LEU A 48 -25.318 3.871 3.265 1.00 0.00 C ATOM 698 O LEU A 48 -25.351 4.696 4.178 1.00 0.00 O ATOM 699 CB LEU A 48 -27.480 2.696 2.787 1.00 0.00 C ATOM 700 CG LEU A 48 -26.954 1.260 2.881 1.00 0.00 C ATOM 701 CD1 LEU A 48 -27.618 0.528 4.035 1.00 0.00 C ATOM 702 CD2 LEU A 48 -27.186 0.512 1.574 1.00 0.00 C ATOM 0 H LEU A 48 -25.722 2.394 0.865 1.00 0.00 H new ATOM 0 HA LEU A 48 -26.979 4.702 2.205 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -27.829 3.002 3.773 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -28.347 2.704 2.126 1.00 0.00 H new ATOM 0 HG LEU A 48 -25.880 1.301 3.065 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -27.234 -0.491 4.089 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -27.401 1.047 4.968 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -28.696 0.501 3.877 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -26.805 -0.505 1.664 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -28.254 0.481 1.357 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -26.666 1.024 0.764 1.00 0.00 H new ATOM 714 N ASP A 49 -24.280 3.077 3.042 1.00 0.00 N ATOM 715 CA ASP A 49 -23.100 3.065 3.900 1.00 0.00 C ATOM 716 C ASP A 49 -22.136 4.192 3.543 1.00 0.00 C ATOM 717 O ASP A 49 -20.932 4.090 3.793 1.00 0.00 O ATOM 718 CB ASP A 49 -22.353 1.723 3.800 1.00 0.00 C ATOM 719 CG ASP A 49 -23.125 0.632 3.076 1.00 0.00 C ATOM 720 OD1 ASP A 49 -23.554 0.857 1.921 1.00 0.00 O ATOM 721 OD2 ASP A 49 -23.277 -0.464 3.652 1.00 0.00 O ATOM 0 H ASP A 49 -24.231 2.422 2.261 1.00 0.00 H new ATOM 0 HA ASP A 49 -23.455 3.209 4.921 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -21.406 1.885 3.285 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -22.114 1.377 4.806 1.00 0.00 H new ATOM 726 N SER A 50 -22.650 5.251 2.939 1.00 0.00 N ATOM 727 CA SER A 50 -21.821 6.387 2.570 1.00 0.00 C ATOM 728 C SER A 50 -21.402 7.153 3.820 1.00 0.00 C ATOM 729 O SER A 50 -20.256 7.586 3.940 1.00 0.00 O ATOM 730 CB SER A 50 -22.572 7.296 1.598 1.00 0.00 C ATOM 731 OG SER A 50 -22.998 6.564 0.459 1.00 0.00 O ATOM 0 H SER A 50 -23.635 5.348 2.694 1.00 0.00 H new ATOM 0 HA SER A 50 -20.922 6.026 2.070 1.00 0.00 H new ATOM 0 HB2 SER A 50 -23.435 7.738 2.097 1.00 0.00 H new ATOM 0 HB3 SER A 50 -21.927 8.118 1.288 1.00 0.00 H new ATOM 0 HG SER A 50 -22.247 6.043 0.105 1.00 0.00 H new ATOM 737 N GLU A 51 -22.330 7.278 4.766 1.00 0.00 N ATOM 738 CA GLU A 51 -22.067 7.980 6.015 1.00 0.00 C ATOM 739 C GLU A 51 -20.993 7.257 6.815 1.00 0.00 C ATOM 740 O GLU A 51 -20.068 7.884 7.325 1.00 0.00 O ATOM 741 CB GLU A 51 -23.347 8.099 6.841 1.00 0.00 C ATOM 742 CG GLU A 51 -24.265 9.217 6.379 1.00 0.00 C ATOM 743 CD GLU A 51 -23.650 10.588 6.572 1.00 0.00 C ATOM 744 OE1 GLU A 51 -23.485 11.013 7.734 1.00 0.00 O ATOM 745 OE2 GLU A 51 -23.331 11.246 5.563 1.00 0.00 O ATOM 0 H GLU A 51 -23.274 6.900 4.688 1.00 0.00 H new ATOM 0 HA GLU A 51 -21.711 8.982 5.777 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -23.888 7.154 6.796 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -23.082 8.265 7.885 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -24.504 9.075 5.325 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -25.204 9.163 6.929 1.00 0.00 H new ATOM 752 N ASN A 52 -21.126 5.935 6.912 1.00 0.00 N ATOM 753 CA ASN A 52 -20.163 5.104 7.636 1.00 0.00 C ATOM 754 C ASN A 52 -18.752 5.336 7.104 1.00 0.00 C ATOM 755 O ASN A 52 -17.795 5.446 7.871 1.00 0.00 O ATOM 756 CB ASN A 52 -20.537 3.619 7.506 1.00 0.00 C ATOM 757 CG ASN A 52 -19.456 2.683 8.028 1.00 0.00 C ATOM 758 OD1 ASN A 52 -18.540 2.299 7.297 1.00 0.00 O ATOM 759 ND2 ASN A 52 -19.565 2.291 9.289 1.00 0.00 N ATOM 0 H ASN A 52 -21.897 5.413 6.495 1.00 0.00 H new ATOM 0 HA ASN A 52 -20.190 5.384 8.689 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -21.463 3.435 8.051 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -20.733 3.390 6.458 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -18.877 1.650 9.685 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -20.337 2.630 9.864 1.00 0.00 H new ATOM 766 N MET A 53 -18.641 5.436 5.783 1.00 0.00 N ATOM 767 CA MET A 53 -17.355 5.661 5.139 1.00 0.00 C ATOM 768 C MET A 53 -16.786 7.014 5.540 1.00 0.00 C ATOM 769 O MET A 53 -15.636 7.107 5.955 1.00 0.00 O ATOM 770 CB MET A 53 -17.487 5.581 3.618 1.00 0.00 C ATOM 771 CG MET A 53 -16.477 4.647 2.969 1.00 0.00 C ATOM 772 SD MET A 53 -14.773 5.024 3.422 1.00 0.00 S ATOM 773 CE MET A 53 -13.929 3.571 2.797 1.00 0.00 C ATOM 0 H MET A 53 -19.428 5.364 5.138 1.00 0.00 H new ATOM 0 HA MET A 53 -16.672 4.879 5.470 1.00 0.00 H new ATOM 0 HB2 MET A 53 -18.493 5.247 3.366 1.00 0.00 H new ATOM 0 HB3 MET A 53 -17.368 6.580 3.198 1.00 0.00 H new ATOM 0 HG2 MET A 53 -16.704 3.620 3.255 1.00 0.00 H new ATOM 0 HG3 MET A 53 -16.580 4.706 1.886 1.00 0.00 H new ATOM 0 HE1 MET A 53 -12.863 3.780 2.706 1.00 0.00 H new ATOM 0 HE2 MET A 53 -14.078 2.739 3.486 1.00 0.00 H new ATOM 0 HE3 MET A 53 -14.332 3.309 1.819 1.00 0.00 H new ATOM 783 N THR A 54 -17.596 8.059 5.422 1.00 0.00 N ATOM 784 CA THR A 54 -17.164 9.403 5.778 1.00 0.00 C ATOM 785 C THR A 54 -16.844 9.504 7.266 1.00 0.00 C ATOM 786 O THR A 54 -15.861 10.139 7.655 1.00 0.00 O ATOM 787 CB THR A 54 -18.233 10.438 5.399 1.00 0.00 C ATOM 788 OG1 THR A 54 -18.711 10.156 4.082 1.00 0.00 O ATOM 789 CG2 THR A 54 -17.668 11.849 5.443 1.00 0.00 C ATOM 0 H THR A 54 -18.556 8.001 5.082 1.00 0.00 H new ATOM 0 HA THR A 54 -16.255 9.615 5.216 1.00 0.00 H new ATOM 0 HB THR A 54 -19.050 10.375 6.118 1.00 0.00 H new ATOM 0 HG1 THR A 54 -19.335 9.401 4.115 1.00 0.00 H new ATOM 0 HG21 THR A 54 -18.447 12.561 5.170 1.00 0.00 H new ATOM 0 HG22 THR A 54 -17.313 12.067 6.450 1.00 0.00 H new ATOM 0 HG23 THR A 54 -16.839 11.931 4.740 1.00 0.00 H new ATOM 797 N LYS A 55 -17.661 8.863 8.092 1.00 0.00 N ATOM 798 CA LYS A 55 -17.451 8.870 9.533 1.00 0.00 C ATOM 799 C LYS A 55 -16.105 8.234 9.863 1.00 0.00 C ATOM 800 O LYS A 55 -15.293 8.807 10.593 1.00 0.00 O ATOM 801 CB LYS A 55 -18.577 8.114 10.242 1.00 0.00 C ATOM 802 CG LYS A 55 -19.593 9.012 10.931 1.00 0.00 C ATOM 803 CD LYS A 55 -20.551 9.648 9.937 1.00 0.00 C ATOM 804 CE LYS A 55 -21.761 10.241 10.640 1.00 0.00 C ATOM 805 NZ LYS A 55 -23.038 9.760 10.048 1.00 0.00 N ATOM 0 H LYS A 55 -18.476 8.331 7.788 1.00 0.00 H new ATOM 0 HA LYS A 55 -17.454 9.903 9.882 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -19.095 7.490 9.514 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -18.140 7.444 10.982 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -20.158 8.430 11.659 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -19.071 9.793 11.484 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -20.034 10.428 9.378 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -20.878 8.901 9.214 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -21.730 9.980 11.698 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -21.719 11.328 10.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -23.838 10.147 10.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -23.102 10.075 9.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -23.067 8.721 10.083 1.00 0.00 H new ATOM 819 N SER A 56 -15.867 7.055 9.298 1.00 0.00 N ATOM 820 CA SER A 56 -14.616 6.344 9.512 1.00 0.00 C ATOM 821 C SER A 56 -13.458 7.118 8.883 1.00 0.00 C ATOM 822 O SER A 56 -12.356 7.153 9.421 1.00 0.00 O ATOM 823 CB SER A 56 -14.697 4.933 8.923 1.00 0.00 C ATOM 824 OG SER A 56 -15.736 4.181 9.534 1.00 0.00 O ATOM 0 H SER A 56 -16.527 6.573 8.688 1.00 0.00 H new ATOM 0 HA SER A 56 -14.440 6.260 10.584 1.00 0.00 H new ATOM 0 HB2 SER A 56 -14.872 4.994 7.849 1.00 0.00 H new ATOM 0 HB3 SER A 56 -13.744 4.422 9.063 1.00 0.00 H new ATOM 0 HG SER A 56 -16.598 4.439 9.147 1.00 0.00 H new ATOM 830 N HIS A 57 -13.731 7.754 7.746 1.00 0.00 N ATOM 831 CA HIS A 57 -12.731 8.545 7.037 1.00 0.00 C ATOM 832 C HIS A 57 -12.260 9.711 7.904 1.00 0.00 C ATOM 833 O HIS A 57 -11.061 9.939 8.044 1.00 0.00 O ATOM 834 CB HIS A 57 -13.312 9.058 5.711 1.00 0.00 C ATOM 835 CG HIS A 57 -12.361 9.868 4.878 1.00 0.00 C ATOM 836 ND1 HIS A 57 -12.780 10.721 3.884 1.00 0.00 N ATOM 837 CD2 HIS A 57 -11.009 9.948 4.892 1.00 0.00 C ATOM 838 CE1 HIS A 57 -11.731 11.294 3.326 1.00 0.00 C ATOM 839 NE2 HIS A 57 -10.638 10.842 3.919 1.00 0.00 N ATOM 0 H HIS A 57 -14.645 7.735 7.294 1.00 0.00 H new ATOM 0 HA HIS A 57 -11.870 7.912 6.820 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -13.650 8.204 5.124 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -14.191 9.665 5.927 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -10.344 9.407 5.549 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -11.760 12.012 2.520 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -9.681 11.112 3.691 1.00 0.00 H new ATOM 848 N GLN A 58 -13.207 10.438 8.485 1.00 0.00 N ATOM 849 CA GLN A 58 -12.882 11.572 9.340 1.00 0.00 C ATOM 850 C GLN A 58 -12.134 11.101 10.584 1.00 0.00 C ATOM 851 O GLN A 58 -11.185 11.744 11.032 1.00 0.00 O ATOM 852 CB GLN A 58 -14.155 12.317 9.741 1.00 0.00 C ATOM 853 CG GLN A 58 -13.891 13.671 10.378 1.00 0.00 C ATOM 854 CD GLN A 58 -15.120 14.237 11.053 1.00 0.00 C ATOM 855 OE1 GLN A 58 -15.912 14.945 10.434 1.00 0.00 O ATOM 856 NE2 GLN A 58 -15.290 13.918 12.324 1.00 0.00 N ATOM 0 H GLN A 58 -14.206 10.262 8.379 1.00 0.00 H new ATOM 0 HA GLN A 58 -12.239 12.253 8.783 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -14.779 12.455 8.858 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -14.722 11.701 10.438 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -13.089 13.576 11.110 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -13.545 14.368 9.615 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -14.606 13.327 12.797 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -16.105 14.262 12.832 1.00 0.00 H new ATOM 865 N ASN A 59 -12.571 9.974 11.133 1.00 0.00 N ATOM 866 CA ASN A 59 -11.944 9.398 12.317 1.00 0.00 C ATOM 867 C ASN A 59 -10.522 8.944 11.994 1.00 0.00 C ATOM 868 O ASN A 59 -9.605 9.089 12.802 1.00 0.00 O ATOM 869 CB ASN A 59 -12.771 8.212 12.820 1.00 0.00 C ATOM 870 CG ASN A 59 -12.258 7.656 14.131 1.00 0.00 C ATOM 871 OD1 ASN A 59 -11.876 8.400 15.031 1.00 0.00 O ATOM 872 ND2 ASN A 59 -12.245 6.340 14.246 1.00 0.00 N ATOM 0 H ASN A 59 -13.362 9.438 10.775 1.00 0.00 H new ATOM 0 HA ASN A 59 -11.900 10.158 13.097 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -13.808 8.524 12.943 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -12.763 7.423 12.068 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -11.909 5.907 15.106 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -12.571 5.757 13.475 1.00 0.00 H new ATOM 879 N LEU A 60 -10.356 8.409 10.793 1.00 0.00 N ATOM 880 CA LEU A 60 -9.069 7.924 10.315 1.00 0.00 C ATOM 881 C LEU A 60 -8.038 9.051 10.250 1.00 0.00 C ATOM 882 O LEU A 60 -6.859 8.838 10.528 1.00 0.00 O ATOM 883 CB LEU A 60 -9.246 7.285 8.934 1.00 0.00 C ATOM 884 CG LEU A 60 -8.011 6.598 8.355 1.00 0.00 C ATOM 885 CD1 LEU A 60 -7.544 5.476 9.264 1.00 0.00 C ATOM 886 CD2 LEU A 60 -8.313 6.067 6.963 1.00 0.00 C ATOM 0 H LEU A 60 -11.114 8.299 10.119 1.00 0.00 H new ATOM 0 HA LEU A 60 -8.698 7.178 11.018 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -10.051 6.553 8.994 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -9.569 8.057 8.236 1.00 0.00 H new ATOM 0 HG LEU A 60 -7.208 7.331 8.283 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -6.663 5.001 8.832 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -7.293 5.882 10.244 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -8.339 4.738 9.370 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -7.426 5.579 6.559 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -9.130 5.347 7.017 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -8.600 6.893 6.313 1.00 0.00 H new ATOM 898 N CYS A 61 -8.493 10.251 9.913 1.00 0.00 N ATOM 899 CA CYS A 61 -7.609 11.408 9.807 1.00 0.00 C ATOM 900 C CYS A 61 -7.066 11.837 11.172 1.00 0.00 C ATOM 901 O CYS A 61 -6.094 12.588 11.251 1.00 0.00 O ATOM 902 CB CYS A 61 -8.349 12.580 9.159 1.00 0.00 C ATOM 903 SG CYS A 61 -8.916 12.260 7.471 1.00 0.00 S ATOM 0 H CYS A 61 -9.472 10.450 9.708 1.00 0.00 H new ATOM 0 HA CYS A 61 -6.764 11.116 9.184 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -9.210 12.837 9.776 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -7.692 13.450 9.150 1.00 0.00 H new ATOM 0 HG CYS A 61 -9.814 11.321 7.486 1.00 0.00 H new ATOM 909 N THR A 62 -7.695 11.372 12.243 1.00 0.00 N ATOM 910 CA THR A 62 -7.260 11.729 13.583 1.00 0.00 C ATOM 911 C THR A 62 -6.641 10.538 14.318 1.00 0.00 C ATOM 912 O THR A 62 -5.677 10.696 15.073 1.00 0.00 O ATOM 913 CB THR A 62 -8.434 12.295 14.400 1.00 0.00 C ATOM 914 OG1 THR A 62 -9.663 12.102 13.684 1.00 0.00 O ATOM 915 CG2 THR A 62 -8.235 13.776 14.674 1.00 0.00 C ATOM 0 H THR A 62 -8.503 10.751 12.209 1.00 0.00 H new ATOM 0 HA THR A 62 -6.492 12.495 13.479 1.00 0.00 H new ATOM 0 HB THR A 62 -8.477 11.766 15.352 1.00 0.00 H new ATOM 0 HG1 THR A 62 -10.408 12.463 14.209 1.00 0.00 H new ATOM 0 HG21 THR A 62 -9.077 14.155 15.253 1.00 0.00 H new ATOM 0 HG22 THR A 62 -7.313 13.921 15.237 1.00 0.00 H new ATOM 0 HG23 THR A 62 -8.172 14.316 13.729 1.00 0.00 H new ATOM 923 N LYS A 63 -7.182 9.348 14.085 1.00 0.00 N ATOM 924 CA LYS A 63 -6.684 8.139 14.737 1.00 0.00 C ATOM 925 C LYS A 63 -5.438 7.599 14.041 1.00 0.00 C ATOM 926 O LYS A 63 -4.605 6.943 14.666 1.00 0.00 O ATOM 927 CB LYS A 63 -7.768 7.057 14.765 1.00 0.00 C ATOM 928 CG LYS A 63 -8.902 7.351 15.736 1.00 0.00 C ATOM 929 CD LYS A 63 -8.432 7.293 17.181 1.00 0.00 C ATOM 930 CE LYS A 63 -9.495 7.812 18.135 1.00 0.00 C ATOM 931 NZ LYS A 63 -10.627 6.861 18.286 1.00 0.00 N ATOM 0 H LYS A 63 -7.965 9.193 13.450 1.00 0.00 H new ATOM 0 HA LYS A 63 -6.416 8.408 15.759 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -8.181 6.943 13.763 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.311 6.104 15.032 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -9.314 8.338 15.526 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -9.706 6.631 15.585 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -8.179 6.265 17.441 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -7.522 7.883 17.293 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -9.046 7.997 19.111 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -9.872 8.768 17.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -11.327 7.257 18.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -11.074 6.703 17.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -10.273 5.957 18.658 1.00 0.00 H new ATOM 945 N GLY A 64 -5.317 7.863 12.746 1.00 0.00 N ATOM 946 CA GLY A 64 -4.169 7.388 11.996 1.00 0.00 C ATOM 947 C GLY A 64 -4.384 5.987 11.464 1.00 0.00 C ATOM 948 O GLY A 64 -4.316 5.754 10.256 1.00 0.00 O ATOM 0 H GLY A 64 -5.993 8.398 12.201 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.972 8.066 11.165 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -3.286 7.402 12.635 1.00 0.00 H new ATOM 952 N GLN A 65 -4.650 5.053 12.367 1.00 0.00 N ATOM 953 CA GLN A 65 -4.886 3.668 11.987 1.00 0.00 C ATOM 954 C GLN A 65 -6.084 3.101 12.739 1.00 0.00 C ATOM 955 O GLN A 65 -6.007 2.829 13.939 1.00 0.00 O ATOM 956 CB GLN A 65 -3.646 2.810 12.258 1.00 0.00 C ATOM 957 CG GLN A 65 -3.872 1.325 12.009 1.00 0.00 C ATOM 958 CD GLN A 65 -2.627 0.496 12.241 1.00 0.00 C ATOM 959 OE1 GLN A 65 -2.354 0.069 13.362 1.00 0.00 O ATOM 960 NE2 GLN A 65 -1.874 0.251 11.183 1.00 0.00 N ATOM 0 H GLN A 65 -4.708 5.230 13.370 1.00 0.00 H new ATOM 0 HA GLN A 65 -5.099 3.646 10.918 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -2.828 3.156 11.626 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -3.333 2.954 13.292 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -4.668 0.968 12.663 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -4.213 1.181 10.984 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -2.138 0.625 10.272 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -1.029 -0.312 11.278 1.00 0.00 H new ATOM 969 N VAL A 66 -7.186 2.927 12.029 1.00 0.00 N ATOM 970 CA VAL A 66 -8.401 2.383 12.614 1.00 0.00 C ATOM 971 C VAL A 66 -9.090 1.461 11.611 1.00 0.00 C ATOM 972 O VAL A 66 -9.231 1.802 10.432 1.00 0.00 O ATOM 973 CB VAL A 66 -9.367 3.505 13.083 1.00 0.00 C ATOM 974 CG1 VAL A 66 -9.647 4.502 11.967 1.00 0.00 C ATOM 975 CG2 VAL A 66 -10.665 2.916 13.616 1.00 0.00 C ATOM 0 H VAL A 66 -7.264 3.157 11.038 1.00 0.00 H new ATOM 0 HA VAL A 66 -8.124 1.808 13.498 1.00 0.00 H new ATOM 0 HB VAL A 66 -8.876 4.043 13.894 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -10.326 5.273 12.330 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -8.712 4.963 11.648 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -10.103 3.985 11.123 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -11.325 3.722 13.938 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -11.153 2.340 12.830 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -10.448 2.264 14.462 1.00 0.00 H new ATOM 985 N VAL A 67 -9.483 0.283 12.074 1.00 0.00 N ATOM 986 CA VAL A 67 -10.142 -0.694 11.220 1.00 0.00 C ATOM 987 C VAL A 67 -11.620 -0.357 11.050 1.00 0.00 C ATOM 988 O VAL A 67 -12.333 -0.144 12.030 1.00 0.00 O ATOM 989 CB VAL A 67 -10.012 -2.123 11.791 1.00 0.00 C ATOM 990 CG1 VAL A 67 -10.314 -3.156 10.717 1.00 0.00 C ATOM 991 CG2 VAL A 67 -8.628 -2.358 12.378 1.00 0.00 C ATOM 0 H VAL A 67 -9.356 -0.020 13.040 1.00 0.00 H new ATOM 0 HA VAL A 67 -9.646 -0.656 10.250 1.00 0.00 H new ATOM 0 HB VAL A 67 -10.741 -2.229 12.594 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -10.217 -4.157 11.138 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -11.330 -3.013 10.350 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -9.611 -3.040 9.892 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -8.567 -3.373 12.772 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -7.876 -2.225 11.601 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -8.448 -1.645 13.183 1.00 0.00 H new ATOM 1001 N SER A 68 -12.068 -0.302 9.805 1.00 0.00 N ATOM 1002 CA SER A 68 -13.455 0.001 9.498 1.00 0.00 C ATOM 1003 C SER A 68 -14.302 -1.262 9.608 1.00 0.00 C ATOM 1004 O SER A 68 -13.772 -2.376 9.599 1.00 0.00 O ATOM 1005 CB SER A 68 -13.562 0.594 8.092 1.00 0.00 C ATOM 1006 OG SER A 68 -12.603 1.624 7.897 1.00 0.00 O ATOM 0 H SER A 68 -11.484 -0.465 8.985 1.00 0.00 H new ATOM 0 HA SER A 68 -13.827 0.733 10.215 1.00 0.00 H new ATOM 0 HB2 SER A 68 -13.413 -0.191 7.351 1.00 0.00 H new ATOM 0 HB3 SER A 68 -14.565 0.992 7.937 1.00 0.00 H new ATOM 0 HG SER A 68 -12.691 1.985 6.990 1.00 0.00 H new ATOM 1012 N GLY A 69 -15.608 -1.089 9.716 1.00 0.00 N ATOM 1013 CA GLY A 69 -16.494 -2.225 9.835 1.00 0.00 C ATOM 1014 C GLY A 69 -16.924 -2.758 8.488 1.00 0.00 C ATOM 1015 O GLY A 69 -16.472 -2.274 7.447 1.00 0.00 O ATOM 0 H GLY A 69 -16.071 -0.180 9.723 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -15.994 -3.016 10.394 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -17.375 -1.938 10.408 1.00 0.00 H new ATOM 1019 N GLN A 70 -17.794 -3.756 8.505 1.00 0.00 N ATOM 1020 CA GLN A 70 -18.293 -4.349 7.276 1.00 0.00 C ATOM 1021 C GLN A 70 -19.279 -3.408 6.607 1.00 0.00 C ATOM 1022 O GLN A 70 -20.228 -2.934 7.239 1.00 0.00 O ATOM 1023 CB GLN A 70 -18.976 -5.689 7.553 1.00 0.00 C ATOM 1024 CG GLN A 70 -18.046 -6.761 8.091 1.00 0.00 C ATOM 1025 CD GLN A 70 -18.720 -8.116 8.170 1.00 0.00 C ATOM 1026 OE1 GLN A 70 -19.357 -8.446 9.170 1.00 0.00 O ATOM 1027 NE2 GLN A 70 -18.591 -8.907 7.118 1.00 0.00 N ATOM 0 H GLN A 70 -18.169 -4.172 9.358 1.00 0.00 H new ATOM 0 HA GLN A 70 -17.444 -4.520 6.614 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -19.783 -5.532 8.268 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -19.433 -6.049 6.631 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -17.166 -6.831 7.451 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -17.697 -6.472 9.082 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -18.054 -8.596 6.308 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -19.028 -9.829 7.116 1.00 0.00 H new ATOM 1036 N TYR A 71 -19.048 -3.129 5.339 1.00 0.00 N ATOM 1037 CA TYR A 71 -19.923 -2.251 4.586 1.00 0.00 C ATOM 1038 C TYR A 71 -20.245 -2.859 3.228 1.00 0.00 C ATOM 1039 O TYR A 71 -19.580 -3.800 2.791 1.00 0.00 O ATOM 1040 CB TYR A 71 -19.285 -0.861 4.420 1.00 0.00 C ATOM 1041 CG TYR A 71 -17.906 -0.856 3.780 1.00 0.00 C ATOM 1042 CD1 TYR A 71 -17.695 -1.390 2.512 1.00 0.00 C ATOM 1043 CD2 TYR A 71 -16.820 -0.289 4.437 1.00 0.00 C ATOM 1044 CE1 TYR A 71 -16.449 -1.365 1.923 1.00 0.00 C ATOM 1045 CE2 TYR A 71 -15.568 -0.254 3.847 1.00 0.00 C ATOM 1046 CZ TYR A 71 -15.391 -0.795 2.590 1.00 0.00 C ATOM 1047 OH TYR A 71 -14.155 -0.757 1.991 1.00 0.00 O ATOM 0 H TYR A 71 -18.260 -3.498 4.807 1.00 0.00 H new ATOM 0 HA TYR A 71 -20.854 -2.134 5.141 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -19.950 -0.243 3.817 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -19.215 -0.391 5.401 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -18.524 -1.833 1.979 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -16.955 0.131 5.423 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -16.305 -1.792 0.941 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -14.735 0.194 4.368 1.00 0.00 H new ATOM 0 HH TYR A 71 -13.458 -0.740 2.680 1.00 0.00 H new ATOM 1057 N ARG A 72 -21.257 -2.321 2.570 1.00 0.00 N ATOM 1058 CA ARG A 72 -21.655 -2.797 1.257 1.00 0.00 C ATOM 1059 C ARG A 72 -20.932 -2.001 0.176 1.00 0.00 C ATOM 1060 O ARG A 72 -21.381 -0.927 -0.224 1.00 0.00 O ATOM 1061 CB ARG A 72 -23.168 -2.665 1.088 1.00 0.00 C ATOM 1062 CG ARG A 72 -23.962 -3.373 2.170 1.00 0.00 C ATOM 1063 CD ARG A 72 -25.242 -2.623 2.489 1.00 0.00 C ATOM 1064 NE ARG A 72 -25.949 -3.204 3.626 1.00 0.00 N ATOM 1065 CZ ARG A 72 -25.870 -2.741 4.873 1.00 0.00 C ATOM 1066 NH1 ARG A 72 -25.082 -1.709 5.160 1.00 0.00 N ATOM 1067 NH2 ARG A 72 -26.559 -3.329 5.842 1.00 0.00 N ATOM 0 H ARG A 72 -21.821 -1.549 2.926 1.00 0.00 H new ATOM 0 HA ARG A 72 -21.383 -3.848 1.162 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -23.434 -1.608 1.086 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -23.454 -3.068 0.116 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -24.202 -4.386 1.846 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -23.355 -3.462 3.071 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -25.007 -1.580 2.703 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -25.893 -2.630 1.615 1.00 0.00 H new ATOM 0 HE ARG A 72 -26.542 -4.016 3.455 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -24.533 -1.266 4.423 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -25.027 -1.360 6.117 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -27.148 -4.135 5.632 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -26.499 -2.976 6.797 1.00 0.00 H new ATOM 1081 N MET A 73 -19.792 -2.513 -0.266 1.00 0.00 N ATOM 1082 CA MET A 73 -19.005 -1.847 -1.293 1.00 0.00 C ATOM 1083 C MET A 73 -19.709 -1.935 -2.637 1.00 0.00 C ATOM 1084 O MET A 73 -20.101 -3.019 -3.070 1.00 0.00 O ATOM 1085 CB MET A 73 -17.609 -2.464 -1.389 1.00 0.00 C ATOM 1086 CG MET A 73 -16.610 -1.584 -2.123 1.00 0.00 C ATOM 1087 SD MET A 73 -16.459 0.058 -1.386 1.00 0.00 S ATOM 1088 CE MET A 73 -15.225 0.794 -2.455 1.00 0.00 C ATOM 0 H MET A 73 -19.392 -3.388 0.071 1.00 0.00 H new ATOM 0 HA MET A 73 -18.901 -0.798 -1.017 1.00 0.00 H new ATOM 0 HB2 MET A 73 -17.237 -2.662 -0.384 1.00 0.00 H new ATOM 0 HB3 MET A 73 -17.679 -3.425 -1.899 1.00 0.00 H new ATOM 0 HG2 MET A 73 -15.634 -2.070 -2.122 1.00 0.00 H new ATOM 0 HG3 MET A 73 -16.916 -1.484 -3.164 1.00 0.00 H new ATOM 0 HE1 MET A 73 -15.022 1.814 -2.128 1.00 0.00 H new ATOM 0 HE2 MET A 73 -14.307 0.208 -2.408 1.00 0.00 H new ATOM 0 HE3 MET A 73 -15.594 0.808 -3.481 1.00 0.00 H new ATOM 1098 N LEU A 74 -19.860 -0.793 -3.291 1.00 0.00 N ATOM 1099 CA LEU A 74 -20.530 -0.733 -4.581 1.00 0.00 C ATOM 1100 C LEU A 74 -19.652 -1.310 -5.682 1.00 0.00 C ATOM 1101 O LEU A 74 -18.588 -0.777 -5.995 1.00 0.00 O ATOM 1102 CB LEU A 74 -20.914 0.708 -4.919 1.00 0.00 C ATOM 1103 CG LEU A 74 -21.667 0.893 -6.239 1.00 0.00 C ATOM 1104 CD1 LEU A 74 -22.959 0.088 -6.242 1.00 0.00 C ATOM 1105 CD2 LEU A 74 -21.957 2.365 -6.480 1.00 0.00 C ATOM 0 H LEU A 74 -19.526 0.108 -2.948 1.00 0.00 H new ATOM 0 HA LEU A 74 -21.436 -1.335 -4.514 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -21.530 1.101 -4.110 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -20.006 1.311 -4.950 1.00 0.00 H new ATOM 0 HG LEU A 74 -21.036 0.525 -7.048 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -23.477 0.235 -7.190 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -22.729 -0.970 -6.114 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -23.597 0.422 -5.424 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -22.493 2.481 -7.422 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -22.568 2.754 -5.665 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -21.019 2.918 -6.526 1.00 0.00 H new ATOM 1117 N ALA A 75 -20.108 -2.413 -6.249 1.00 0.00 N ATOM 1118 CA ALA A 75 -19.395 -3.074 -7.324 1.00 0.00 C ATOM 1119 C ALA A 75 -19.786 -2.467 -8.665 1.00 0.00 C ATOM 1120 O ALA A 75 -20.782 -1.746 -8.759 1.00 0.00 O ATOM 1121 CB ALA A 75 -19.679 -4.568 -7.304 1.00 0.00 C ATOM 0 H ALA A 75 -20.978 -2.872 -5.978 1.00 0.00 H new ATOM 0 HA ALA A 75 -18.324 -2.928 -7.180 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -19.137 -5.052 -8.117 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -19.355 -4.987 -6.351 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -20.748 -4.737 -7.430 1.00 0.00 H new ATOM 1127 N LYS A 76 -19.024 -2.792 -9.703 1.00 0.00 N ATOM 1128 CA LYS A 76 -19.267 -2.265 -11.046 1.00 0.00 C ATOM 1129 C LYS A 76 -20.462 -2.949 -11.723 1.00 0.00 C ATOM 1130 O LYS A 76 -20.360 -3.423 -12.855 1.00 0.00 O ATOM 1131 CB LYS A 76 -18.014 -2.437 -11.909 1.00 0.00 C ATOM 1132 CG LYS A 76 -17.870 -1.379 -12.991 1.00 0.00 C ATOM 1133 CD LYS A 76 -16.804 -1.754 -14.005 1.00 0.00 C ATOM 1134 CE LYS A 76 -17.362 -2.661 -15.089 1.00 0.00 C ATOM 1135 NZ LYS A 76 -18.353 -1.957 -15.947 1.00 0.00 N ATOM 0 H LYS A 76 -18.225 -3.423 -9.641 1.00 0.00 H new ATOM 0 HA LYS A 76 -19.504 -1.206 -10.946 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -17.134 -2.410 -11.266 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -18.037 -3.422 -12.376 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -18.825 -1.246 -13.499 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -17.617 -0.423 -12.533 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -16.398 -0.850 -14.459 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -15.979 -2.255 -13.499 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -16.545 -3.032 -15.708 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -17.833 -3.530 -14.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -18.406 -2.426 -16.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -19.288 -1.984 -15.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -18.059 -0.968 -16.076 1.00 0.00 H new ATOM 1149 N HIS A 77 -21.587 -2.997 -11.018 1.00 0.00 N ATOM 1150 CA HIS A 77 -22.815 -3.606 -11.535 1.00 0.00 C ATOM 1151 C HIS A 77 -23.946 -3.467 -10.524 1.00 0.00 C ATOM 1152 O HIS A 77 -24.878 -4.264 -10.514 1.00 0.00 O ATOM 1153 CB HIS A 77 -22.615 -5.092 -11.905 1.00 0.00 C ATOM 1154 CG HIS A 77 -22.012 -5.941 -10.822 1.00 0.00 C ATOM 1155 ND1 HIS A 77 -22.758 -6.597 -9.865 1.00 0.00 N ATOM 1156 CD2 HIS A 77 -20.719 -6.253 -10.564 1.00 0.00 C ATOM 1157 CE1 HIS A 77 -21.952 -7.269 -9.065 1.00 0.00 C ATOM 1158 NE2 HIS A 77 -20.711 -7.076 -9.469 1.00 0.00 N ATOM 0 H HIS A 77 -21.677 -2.618 -10.076 1.00 0.00 H new ATOM 0 HA HIS A 77 -23.080 -3.071 -12.447 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -23.581 -5.515 -12.182 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -21.977 -5.148 -12.787 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -19.856 -5.916 -11.118 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -22.256 -7.874 -8.223 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -19.879 -7.476 -9.035 1.00 0.00 H new ATOM 1167 N GLY A 78 -23.862 -2.445 -9.678 1.00 0.00 N ATOM 1168 CA GLY A 78 -24.891 -2.224 -8.676 1.00 0.00 C ATOM 1169 C GLY A 78 -24.875 -3.272 -7.581 1.00 0.00 C ATOM 1170 O GLY A 78 -25.884 -3.494 -6.909 1.00 0.00 O ATOM 0 H GLY A 78 -23.101 -1.766 -9.668 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -24.754 -1.238 -8.232 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -25.868 -2.223 -9.159 1.00 0.00 H new ATOM 1174 N GLY A 79 -23.730 -3.916 -7.403 1.00 0.00 N ATOM 1175 CA GLY A 79 -23.604 -4.937 -6.384 1.00 0.00 C ATOM 1176 C GLY A 79 -23.048 -4.375 -5.096 1.00 0.00 C ATOM 1177 O GLY A 79 -22.399 -3.331 -5.109 1.00 0.00 O ATOM 0 H GLY A 79 -22.884 -3.749 -7.948 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -24.580 -5.385 -6.195 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -22.953 -5.733 -6.745 1.00 0.00 H new ATOM 1181 N TYR A 80 -23.297 -5.056 -3.989 1.00 0.00 N ATOM 1182 CA TYR A 80 -22.815 -4.604 -2.692 1.00 0.00 C ATOM 1183 C TYR A 80 -21.988 -5.689 -2.014 1.00 0.00 C ATOM 1184 O TYR A 80 -22.526 -6.593 -1.384 1.00 0.00 O ATOM 1185 CB TYR A 80 -23.996 -4.204 -1.811 1.00 0.00 C ATOM 1186 CG TYR A 80 -24.816 -3.074 -2.393 1.00 0.00 C ATOM 1187 CD1 TYR A 80 -24.396 -1.755 -2.284 1.00 0.00 C ATOM 1188 CD2 TYR A 80 -26.005 -3.331 -3.064 1.00 0.00 C ATOM 1189 CE1 TYR A 80 -25.140 -0.723 -2.823 1.00 0.00 C ATOM 1190 CE2 TYR A 80 -26.754 -2.305 -3.607 1.00 0.00 C ATOM 1191 CZ TYR A 80 -26.317 -1.003 -3.485 1.00 0.00 C ATOM 1192 OH TYR A 80 -27.062 0.023 -4.025 1.00 0.00 O ATOM 0 H TYR A 80 -23.831 -5.925 -3.962 1.00 0.00 H new ATOM 0 HA TYR A 80 -22.174 -3.735 -2.842 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -24.639 -5.071 -1.660 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -23.625 -3.908 -0.830 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -23.473 -1.532 -1.770 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -26.350 -4.350 -3.163 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -24.801 0.298 -2.726 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -27.677 -2.522 -4.124 1.00 0.00 H new ATOM 0 HH TYR A 80 -27.861 -0.345 -4.458 1.00 0.00 H new ATOM 1202 N VAL A 81 -20.677 -5.595 -2.151 1.00 0.00 N ATOM 1203 CA VAL A 81 -19.774 -6.577 -1.565 1.00 0.00 C ATOM 1204 C VAL A 81 -19.403 -6.187 -0.139 1.00 0.00 C ATOM 1205 O VAL A 81 -18.962 -5.065 0.104 1.00 0.00 O ATOM 1206 CB VAL A 81 -18.476 -6.726 -2.390 1.00 0.00 C ATOM 1207 CG1 VAL A 81 -17.930 -8.142 -2.276 1.00 0.00 C ATOM 1208 CG2 VAL A 81 -18.703 -6.351 -3.847 1.00 0.00 C ATOM 0 H VAL A 81 -20.210 -4.847 -2.664 1.00 0.00 H new ATOM 0 HA VAL A 81 -20.304 -7.529 -1.564 1.00 0.00 H new ATOM 0 HB VAL A 81 -17.737 -6.037 -1.981 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -17.016 -8.228 -2.864 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -17.712 -8.365 -1.231 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -18.670 -8.849 -2.651 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -17.772 -6.466 -4.402 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -19.464 -7.003 -4.276 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -19.036 -5.315 -3.908 1.00 0.00 H new ATOM 1218 N TRP A 82 -19.586 -7.109 0.797 1.00 0.00 N ATOM 1219 CA TRP A 82 -19.257 -6.851 2.195 1.00 0.00 C ATOM 1220 C TRP A 82 -17.745 -6.899 2.397 1.00 0.00 C ATOM 1221 O TRP A 82 -17.137 -7.973 2.386 1.00 0.00 O ATOM 1222 CB TRP A 82 -19.948 -7.864 3.107 1.00 0.00 C ATOM 1223 CG TRP A 82 -21.426 -7.649 3.235 1.00 0.00 C ATOM 1224 CD1 TRP A 82 -22.410 -8.209 2.471 1.00 0.00 C ATOM 1225 CD2 TRP A 82 -22.086 -6.813 4.189 1.00 0.00 C ATOM 1226 NE1 TRP A 82 -23.642 -7.775 2.899 1.00 0.00 N ATOM 1227 CE2 TRP A 82 -23.468 -6.916 3.950 1.00 0.00 C ATOM 1228 CE3 TRP A 82 -21.642 -5.987 5.224 1.00 0.00 C ATOM 1229 CZ2 TRP A 82 -24.408 -6.226 4.710 1.00 0.00 C ATOM 1230 CZ3 TRP A 82 -22.576 -5.302 5.976 1.00 0.00 C ATOM 1231 CH2 TRP A 82 -23.944 -5.426 5.717 1.00 0.00 C ATOM 0 H TRP A 82 -19.960 -8.041 0.615 1.00 0.00 H new ATOM 0 HA TRP A 82 -19.615 -5.855 2.457 1.00 0.00 H new ATOM 0 HB2 TRP A 82 -19.768 -8.868 2.723 1.00 0.00 H new ATOM 0 HB3 TRP A 82 -19.496 -7.816 4.097 1.00 0.00 H new ATOM 0 HD1 TRP A 82 -22.244 -8.892 1.651 1.00 0.00 H new ATOM 0 HE1 TRP A 82 -24.539 -8.049 2.499 1.00 0.00 H new ATOM 0 HE3 TRP A 82 -20.587 -5.886 5.432 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 -25.466 -6.319 4.511 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 -22.244 -4.659 6.778 1.00 0.00 H new ATOM 0 HH2 TRP A 82 -24.649 -4.879 6.325 1.00 0.00 H new ATOM 1242 N LEU A 83 -17.146 -5.730 2.579 1.00 0.00 N ATOM 1243 CA LEU A 83 -15.701 -5.622 2.749 1.00 0.00 C ATOM 1244 C LEU A 83 -15.324 -5.062 4.120 1.00 0.00 C ATOM 1245 O LEU A 83 -16.114 -4.363 4.757 1.00 0.00 O ATOM 1246 CB LEU A 83 -15.117 -4.710 1.659 1.00 0.00 C ATOM 1247 CG LEU A 83 -14.616 -5.405 0.390 1.00 0.00 C ATOM 1248 CD1 LEU A 83 -15.718 -6.226 -0.254 1.00 0.00 C ATOM 1249 CD2 LEU A 83 -14.086 -4.377 -0.597 1.00 0.00 C ATOM 0 H LEU A 83 -17.640 -4.838 2.613 1.00 0.00 H new ATOM 0 HA LEU A 83 -15.288 -6.628 2.668 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -15.880 -3.986 1.374 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -14.289 -4.148 2.091 1.00 0.00 H new ATOM 0 HG LEU A 83 -13.808 -6.080 0.671 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -15.334 -6.708 -1.153 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -16.062 -6.986 0.447 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -16.550 -5.574 -0.519 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -13.733 -4.883 -1.495 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -14.883 -3.682 -0.862 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -13.262 -3.827 -0.142 1.00 0.00 H new ATOM 1261 N GLU A 84 -14.115 -5.399 4.562 1.00 0.00 N ATOM 1262 CA GLU A 84 -13.563 -4.916 5.824 1.00 0.00 C ATOM 1263 C GLU A 84 -12.232 -4.245 5.519 1.00 0.00 C ATOM 1264 O GLU A 84 -11.311 -4.891 5.023 1.00 0.00 O ATOM 1265 CB GLU A 84 -13.350 -6.062 6.817 1.00 0.00 C ATOM 1266 CG GLU A 84 -14.636 -6.642 7.379 1.00 0.00 C ATOM 1267 CD GLU A 84 -14.396 -7.569 8.557 1.00 0.00 C ATOM 1268 OE1 GLU A 84 -13.972 -8.724 8.337 1.00 0.00 O ATOM 1269 OE2 GLU A 84 -14.634 -7.149 9.713 1.00 0.00 O ATOM 0 H GLU A 84 -13.487 -6.019 4.051 1.00 0.00 H new ATOM 0 HA GLU A 84 -14.261 -4.215 6.281 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -12.791 -6.857 6.324 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -12.734 -5.704 7.642 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -15.291 -5.828 7.690 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -15.157 -7.188 6.593 1.00 0.00 H new ATOM 1276 N THR A 85 -12.116 -2.963 5.806 1.00 0.00 N ATOM 1277 CA THR A 85 -10.896 -2.240 5.484 1.00 0.00 C ATOM 1278 C THR A 85 -10.148 -1.731 6.709 1.00 0.00 C ATOM 1279 O THR A 85 -10.741 -1.164 7.624 1.00 0.00 O ATOM 1280 CB THR A 85 -11.219 -1.039 4.580 1.00 0.00 C ATOM 1281 OG1 THR A 85 -12.326 -1.365 3.734 1.00 0.00 O ATOM 1282 CG2 THR A 85 -10.020 -0.651 3.727 1.00 0.00 C ATOM 0 H THR A 85 -12.841 -2.404 6.256 1.00 0.00 H new ATOM 0 HA THR A 85 -10.250 -2.956 4.977 1.00 0.00 H new ATOM 0 HB THR A 85 -11.472 -0.190 5.215 1.00 0.00 H new ATOM 0 HG1 THR A 85 -12.207 -2.268 3.373 1.00 0.00 H new ATOM 0 HG21 THR A 85 -10.281 0.201 3.099 1.00 0.00 H new ATOM 0 HG22 THR A 85 -9.185 -0.383 4.374 1.00 0.00 H new ATOM 0 HG23 THR A 85 -9.735 -1.493 3.096 1.00 0.00 H new ATOM 1290 N GLN A 86 -8.840 -1.943 6.712 1.00 0.00 N ATOM 1291 CA GLN A 86 -7.990 -1.459 7.783 1.00 0.00 C ATOM 1292 C GLN A 86 -7.265 -0.213 7.290 1.00 0.00 C ATOM 1293 O GLN A 86 -6.346 -0.301 6.473 1.00 0.00 O ATOM 1294 CB GLN A 86 -6.985 -2.526 8.220 1.00 0.00 C ATOM 1295 CG GLN A 86 -6.290 -2.193 9.529 1.00 0.00 C ATOM 1296 CD GLN A 86 -5.206 -3.186 9.883 1.00 0.00 C ATOM 1297 OE1 GLN A 86 -5.473 -4.225 10.483 1.00 0.00 O ATOM 1298 NE2 GLN A 86 -3.975 -2.872 9.524 1.00 0.00 N ATOM 0 H GLN A 86 -8.345 -2.450 5.979 1.00 0.00 H new ATOM 0 HA GLN A 86 -8.602 -1.220 8.652 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -7.500 -3.481 8.322 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -6.235 -2.651 7.439 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -5.855 -1.196 9.461 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -7.028 -2.166 10.331 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -3.796 -2.000 9.027 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -3.203 -3.502 9.744 1.00 0.00 H new ATOM 1307 N GLY A 87 -7.699 0.944 7.763 1.00 0.00 N ATOM 1308 CA GLY A 87 -7.102 2.188 7.328 1.00 0.00 C ATOM 1309 C GLY A 87 -5.874 2.573 8.124 1.00 0.00 C ATOM 1310 O GLY A 87 -5.866 2.482 9.351 1.00 0.00 O ATOM 0 H GLY A 87 -8.455 1.044 8.441 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -6.833 2.105 6.275 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -7.842 2.985 7.406 1.00 0.00 H new ATOM 1314 N THR A 88 -4.828 2.967 7.415 1.00 0.00 N ATOM 1315 CA THR A 88 -3.583 3.403 8.027 1.00 0.00 C ATOM 1316 C THR A 88 -2.976 4.533 7.198 1.00 0.00 C ATOM 1317 O THR A 88 -2.375 4.297 6.150 1.00 0.00 O ATOM 1318 CB THR A 88 -2.576 2.238 8.145 1.00 0.00 C ATOM 1319 OG1 THR A 88 -3.200 1.123 8.800 1.00 0.00 O ATOM 1320 CG2 THR A 88 -1.342 2.663 8.927 1.00 0.00 C ATOM 0 H THR A 88 -4.819 2.993 6.395 1.00 0.00 H new ATOM 0 HA THR A 88 -3.802 3.760 9.033 1.00 0.00 H new ATOM 0 HB THR A 88 -2.266 1.949 7.141 1.00 0.00 H new ATOM 0 HG1 THR A 88 -2.804 0.288 8.473 1.00 0.00 H new ATOM 0 HG21 THR A 88 -0.648 1.825 8.996 1.00 0.00 H new ATOM 0 HG22 THR A 88 -0.856 3.495 8.417 1.00 0.00 H new ATOM 0 HG23 THR A 88 -1.636 2.974 9.929 1.00 0.00 H new ATOM 1328 N VAL A 89 -3.154 5.763 7.651 1.00 0.00 N ATOM 1329 CA VAL A 89 -2.634 6.910 6.925 1.00 0.00 C ATOM 1330 C VAL A 89 -1.206 7.221 7.345 1.00 0.00 C ATOM 1331 O VAL A 89 -0.905 7.330 8.534 1.00 0.00 O ATOM 1332 CB VAL A 89 -3.498 8.167 7.135 1.00 0.00 C ATOM 1333 CG1 VAL A 89 -3.229 9.178 6.034 1.00 0.00 C ATOM 1334 CG2 VAL A 89 -4.975 7.816 7.193 1.00 0.00 C ATOM 0 H VAL A 89 -3.651 5.992 8.512 1.00 0.00 H new ATOM 0 HA VAL A 89 -2.657 6.641 5.869 1.00 0.00 H new ATOM 0 HB VAL A 89 -3.226 8.611 8.093 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -3.846 10.062 6.193 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.177 9.462 6.050 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -3.471 8.736 5.067 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -5.559 8.724 7.342 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -5.273 7.342 6.258 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -5.154 7.130 8.021 1.00 0.00 H new ATOM 1344 N ILE A 90 -0.328 7.354 6.365 1.00 0.00 N ATOM 1345 CA ILE A 90 1.059 7.667 6.638 1.00 0.00 C ATOM 1346 C ILE A 90 1.256 9.181 6.635 1.00 0.00 C ATOM 1347 O ILE A 90 0.733 9.894 5.767 1.00 0.00 O ATOM 1348 CB ILE A 90 2.015 6.984 5.623 1.00 0.00 C ATOM 1349 CG1 ILE A 90 3.455 7.012 6.138 1.00 0.00 C ATOM 1350 CG2 ILE A 90 1.931 7.631 4.250 1.00 0.00 C ATOM 1351 CD1 ILE A 90 3.702 6.069 7.295 1.00 0.00 C ATOM 0 H ILE A 90 -0.553 7.250 5.376 1.00 0.00 H new ATOM 0 HA ILE A 90 1.308 7.275 7.624 1.00 0.00 H new ATOM 0 HB ILE A 90 1.697 5.946 5.521 1.00 0.00 H new ATOM 0 HG12 ILE A 90 4.129 6.756 5.321 1.00 0.00 H new ATOM 0 HG13 ILE A 90 3.701 8.027 6.448 1.00 0.00 H new ATOM 0 HG21 ILE A 90 2.614 7.126 3.567 1.00 0.00 H new ATOM 0 HG22 ILE A 90 0.912 7.549 3.871 1.00 0.00 H new ATOM 0 HG23 ILE A 90 2.206 8.683 4.326 1.00 0.00 H new ATOM 0 HD11 ILE A 90 4.744 6.142 7.608 1.00 0.00 H new ATOM 0 HD12 ILE A 90 3.053 6.338 8.128 1.00 0.00 H new ATOM 0 HD13 ILE A 90 3.488 5.047 6.983 1.00 0.00 H new ATOM 1363 N TYR A 91 1.958 9.677 7.636 1.00 0.00 N ATOM 1364 CA TYR A 91 2.220 11.098 7.745 1.00 0.00 C ATOM 1365 C TYR A 91 3.376 11.488 6.836 1.00 0.00 C ATOM 1366 O TYR A 91 4.465 10.911 6.914 1.00 0.00 O ATOM 1367 CB TYR A 91 2.531 11.480 9.192 1.00 0.00 C ATOM 1368 CG TYR A 91 1.303 11.682 10.053 1.00 0.00 C ATOM 1369 CD1 TYR A 91 0.575 10.601 10.538 1.00 0.00 C ATOM 1370 CD2 TYR A 91 0.871 12.960 10.379 1.00 0.00 C ATOM 1371 CE1 TYR A 91 -0.546 10.792 11.325 1.00 0.00 C ATOM 1372 CE2 TYR A 91 -0.247 13.158 11.164 1.00 0.00 C ATOM 1373 CZ TYR A 91 -0.952 12.072 11.635 1.00 0.00 C ATOM 1374 OH TYR A 91 -2.065 12.269 12.419 1.00 0.00 O ATOM 0 H TYR A 91 2.358 9.114 8.387 1.00 0.00 H new ATOM 0 HA TYR A 91 1.327 11.639 7.432 1.00 0.00 H new ATOM 0 HB2 TYR A 91 3.150 10.701 9.637 1.00 0.00 H new ATOM 0 HB3 TYR A 91 3.120 12.397 9.196 1.00 0.00 H new ATOM 0 HD1 TYR A 91 0.890 9.597 10.296 1.00 0.00 H new ATOM 0 HD2 TYR A 91 1.419 13.815 10.012 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -1.101 9.942 11.695 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -0.568 14.160 11.408 1.00 0.00 H new ATOM 0 HH TYR A 91 -2.212 13.230 12.543 1.00 0.00 H new ATOM 1384 N ASN A 92 3.117 12.447 5.959 1.00 0.00 N ATOM 1385 CA ASN A 92 4.126 12.936 5.028 1.00 0.00 C ATOM 1386 C ASN A 92 5.077 13.882 5.754 1.00 0.00 C ATOM 1387 O ASN A 92 4.647 14.902 6.278 1.00 0.00 O ATOM 1388 CB ASN A 92 3.442 13.656 3.858 1.00 0.00 C ATOM 1389 CG ASN A 92 4.393 14.022 2.731 1.00 0.00 C ATOM 1390 OD1 ASN A 92 5.549 14.377 2.957 1.00 0.00 O ATOM 1391 ND2 ASN A 92 3.907 13.939 1.505 1.00 0.00 N ATOM 0 H ASN A 92 2.210 12.905 5.872 1.00 0.00 H new ATOM 0 HA ASN A 92 4.699 12.096 4.635 1.00 0.00 H new ATOM 0 HB2 ASN A 92 2.651 13.019 3.462 1.00 0.00 H new ATOM 0 HB3 ASN A 92 2.965 14.563 4.229 1.00 0.00 H new ATOM 0 HD21 ASN A 92 4.496 14.173 0.706 1.00 0.00 H new ATOM 0 HD22 ASN A 92 2.943 13.640 1.358 1.00 0.00 H new ATOM 1398 N PRO A 93 6.381 13.563 5.780 1.00 0.00 N ATOM 1399 CA PRO A 93 7.394 14.379 6.470 1.00 0.00 C ATOM 1400 C PRO A 93 7.462 15.824 5.972 1.00 0.00 C ATOM 1401 O PRO A 93 7.865 16.722 6.711 1.00 0.00 O ATOM 1402 CB PRO A 93 8.714 13.653 6.166 1.00 0.00 C ATOM 1403 CG PRO A 93 8.421 12.771 5.001 1.00 0.00 C ATOM 1404 CD PRO A 93 6.980 12.382 5.140 1.00 0.00 C ATOM 0 HA PRO A 93 7.163 14.467 7.532 1.00 0.00 H new ATOM 0 HB2 PRO A 93 9.508 14.362 5.932 1.00 0.00 H new ATOM 0 HB3 PRO A 93 9.049 13.071 7.025 1.00 0.00 H new ATOM 0 HG2 PRO A 93 8.597 13.293 4.060 1.00 0.00 H new ATOM 0 HG3 PRO A 93 9.066 11.892 5.003 1.00 0.00 H new ATOM 0 HD2 PRO A 93 6.523 12.171 4.173 1.00 0.00 H new ATOM 0 HD3 PRO A 93 6.860 11.487 5.751 1.00 0.00 H new ATOM 1412 N ARG A 94 7.046 16.048 4.733 1.00 0.00 N ATOM 1413 CA ARG A 94 7.090 17.382 4.139 1.00 0.00 C ATOM 1414 C ARG A 94 5.901 18.240 4.566 1.00 0.00 C ATOM 1415 O ARG A 94 5.934 19.464 4.434 1.00 0.00 O ATOM 1416 CB ARG A 94 7.108 17.285 2.612 1.00 0.00 C ATOM 1417 CG ARG A 94 8.184 16.368 2.058 1.00 0.00 C ATOM 1418 CD ARG A 94 7.957 16.099 0.581 1.00 0.00 C ATOM 1419 NE ARG A 94 8.855 15.072 0.064 1.00 0.00 N ATOM 1420 CZ ARG A 94 8.452 13.994 -0.603 1.00 0.00 C ATOM 1421 NH1 ARG A 94 7.159 13.794 -0.831 1.00 0.00 N ATOM 1422 NH2 ARG A 94 9.344 13.119 -1.051 1.00 0.00 N ATOM 0 H ARG A 94 6.674 15.325 4.118 1.00 0.00 H new ATOM 0 HA ARG A 94 8.003 17.857 4.496 1.00 0.00 H new ATOM 0 HB2 ARG A 94 6.135 16.932 2.270 1.00 0.00 H new ATOM 0 HB3 ARG A 94 7.249 18.283 2.198 1.00 0.00 H new ATOM 0 HG2 ARG A 94 9.164 16.822 2.203 1.00 0.00 H new ATOM 0 HG3 ARG A 94 8.184 15.427 2.608 1.00 0.00 H new ATOM 0 HD2 ARG A 94 6.924 15.788 0.424 1.00 0.00 H new ATOM 0 HD3 ARG A 94 8.101 17.022 0.019 1.00 0.00 H new ATOM 0 HE ARG A 94 9.856 15.188 0.224 1.00 0.00 H new ATOM 0 HH11 ARG A 94 6.472 14.468 -0.494 1.00 0.00 H new ATOM 0 HH12 ARG A 94 6.853 12.966 -1.343 1.00 0.00 H new ATOM 0 HH21 ARG A 94 10.338 13.273 -0.884 1.00 0.00 H new ATOM 0 HH22 ARG A 94 9.035 12.292 -1.562 1.00 0.00 H new ATOM 1436 N ASN A 95 4.853 17.610 5.075 1.00 0.00 N ATOM 1437 CA ASN A 95 3.661 18.354 5.476 1.00 0.00 C ATOM 1438 C ASN A 95 3.293 18.105 6.931 1.00 0.00 C ATOM 1439 O ASN A 95 2.600 18.916 7.545 1.00 0.00 O ATOM 1440 CB ASN A 95 2.473 17.975 4.585 1.00 0.00 C ATOM 1441 CG ASN A 95 2.757 18.164 3.108 1.00 0.00 C ATOM 1442 OD1 ASN A 95 3.233 17.251 2.434 1.00 0.00 O ATOM 1443 ND2 ASN A 95 2.463 19.346 2.595 1.00 0.00 N ATOM 0 H ASN A 95 4.799 16.602 5.220 1.00 0.00 H new ATOM 0 HA ASN A 95 3.893 19.413 5.360 1.00 0.00 H new ATOM 0 HB2 ASN A 95 2.206 16.934 4.768 1.00 0.00 H new ATOM 0 HB3 ASN A 95 1.610 18.579 4.864 1.00 0.00 H new ATOM 0 HD21 ASN A 95 2.629 19.528 1.605 1.00 0.00 H new ATOM 0 HD22 ASN A 95 2.070 20.076 3.189 1.00 0.00 H new ATOM 1450 N LEU A 96 3.751 16.979 7.470 1.00 0.00 N ATOM 1451 CA LEU A 96 3.463 16.581 8.847 1.00 0.00 C ATOM 1452 C LEU A 96 1.971 16.332 9.021 1.00 0.00 C ATOM 1453 O LEU A 96 1.427 16.449 10.120 1.00 0.00 O ATOM 1454 CB LEU A 96 3.953 17.634 9.849 1.00 0.00 C ATOM 1455 CG LEU A 96 5.466 17.668 10.069 1.00 0.00 C ATOM 1456 CD1 LEU A 96 5.827 18.702 11.124 1.00 0.00 C ATOM 1457 CD2 LEU A 96 5.979 16.292 10.469 1.00 0.00 C ATOM 0 H LEU A 96 4.335 16.313 6.963 1.00 0.00 H new ATOM 0 HA LEU A 96 4.002 15.656 9.050 1.00 0.00 H new ATOM 0 HB2 LEU A 96 3.629 18.617 9.506 1.00 0.00 H new ATOM 0 HB3 LEU A 96 3.466 17.455 10.808 1.00 0.00 H new ATOM 0 HG LEU A 96 5.944 17.952 9.132 1.00 0.00 H new ATOM 0 HD11 LEU A 96 6.907 18.713 11.268 1.00 0.00 H new ATOM 0 HD12 LEU A 96 5.495 19.687 10.797 1.00 0.00 H new ATOM 0 HD13 LEU A 96 5.338 18.448 12.065 1.00 0.00 H new ATOM 0 HD21 LEU A 96 7.057 16.336 10.621 1.00 0.00 H new ATOM 0 HD22 LEU A 96 5.495 15.978 11.393 1.00 0.00 H new ATOM 0 HD23 LEU A 96 5.753 15.576 9.679 1.00 0.00 H new ATOM 1469 N GLN A 97 1.325 15.959 7.926 1.00 0.00 N ATOM 1470 CA GLN A 97 -0.104 15.699 7.921 1.00 0.00 C ATOM 1471 C GLN A 97 -0.400 14.398 7.183 1.00 0.00 C ATOM 1472 O GLN A 97 0.467 13.876 6.473 1.00 0.00 O ATOM 1473 CB GLN A 97 -0.838 16.861 7.243 1.00 0.00 C ATOM 1474 CG GLN A 97 -0.649 16.902 5.734 1.00 0.00 C ATOM 1475 CD GLN A 97 -1.493 17.964 5.064 1.00 0.00 C ATOM 1476 OE1 GLN A 97 -1.751 19.022 5.639 1.00 0.00 O ATOM 1477 NE2 GLN A 97 -1.924 17.690 3.842 1.00 0.00 N ATOM 0 H GLN A 97 1.776 15.829 7.020 1.00 0.00 H new ATOM 0 HA GLN A 97 -0.451 15.605 8.950 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -1.902 16.787 7.466 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -0.487 17.800 7.671 1.00 0.00 H new ATOM 0 HG2 GLN A 97 0.402 17.085 5.509 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -0.900 15.928 5.315 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -1.685 16.800 3.405 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -2.494 18.369 3.338 1.00 0.00 H new ATOM 1486 N PRO A 98 -1.613 13.848 7.358 1.00 0.00 N ATOM 1487 CA PRO A 98 -2.030 12.618 6.681 1.00 0.00 C ATOM 1488 C PRO A 98 -2.098 12.819 5.171 1.00 0.00 C ATOM 1489 O PRO A 98 -2.883 13.632 4.679 1.00 0.00 O ATOM 1490 CB PRO A 98 -3.432 12.340 7.245 1.00 0.00 C ATOM 1491 CG PRO A 98 -3.530 13.163 8.482 1.00 0.00 C ATOM 1492 CD PRO A 98 -2.674 14.368 8.239 1.00 0.00 C ATOM 0 HA PRO A 98 -1.332 11.797 6.848 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -4.206 12.615 6.528 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -3.564 11.281 7.466 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -4.563 13.450 8.680 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -3.182 12.605 9.351 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -3.235 15.173 7.764 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -2.267 14.768 9.168 1.00 0.00 H new ATOM 1500 N GLN A 99 -1.270 12.093 4.434 1.00 0.00 N ATOM 1501 CA GLN A 99 -1.251 12.225 2.986 1.00 0.00 C ATOM 1502 C GLN A 99 -1.697 10.932 2.313 1.00 0.00 C ATOM 1503 O GLN A 99 -2.825 10.829 1.828 1.00 0.00 O ATOM 1504 CB GLN A 99 0.148 12.616 2.507 1.00 0.00 C ATOM 1505 CG GLN A 99 0.163 13.277 1.139 1.00 0.00 C ATOM 1506 CD GLN A 99 -0.520 14.632 1.130 1.00 0.00 C ATOM 1507 OE1 GLN A 99 -0.491 15.368 2.118 1.00 0.00 O ATOM 1508 NE2 GLN A 99 -1.147 14.964 0.016 1.00 0.00 N ATOM 0 H GLN A 99 -0.609 11.413 4.810 1.00 0.00 H new ATOM 0 HA GLN A 99 -1.952 13.012 2.708 1.00 0.00 H new ATOM 0 HB2 GLN A 99 0.595 13.295 3.234 1.00 0.00 H new ATOM 0 HB3 GLN A 99 0.774 11.724 2.477 1.00 0.00 H new ATOM 0 HG2 GLN A 99 1.195 13.394 0.809 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -0.329 12.623 0.420 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -1.147 14.325 -0.779 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -1.632 15.859 -0.049 1.00 0.00 H new ATOM 1517 N CYS A 100 -0.811 9.946 2.296 1.00 0.00 N ATOM 1518 CA CYS A 100 -1.111 8.665 1.680 1.00 0.00 C ATOM 1519 C CYS A 100 -1.860 7.759 2.652 1.00 0.00 C ATOM 1520 O CYS A 100 -1.324 7.347 3.683 1.00 0.00 O ATOM 1521 CB CYS A 100 0.176 7.993 1.201 1.00 0.00 C ATOM 1522 SG CYS A 100 1.057 8.921 -0.078 1.00 0.00 S ATOM 0 H CYS A 100 0.122 10.011 2.703 1.00 0.00 H new ATOM 0 HA CYS A 100 -1.754 8.840 0.817 1.00 0.00 H new ATOM 0 HB2 CYS A 100 0.839 7.851 2.054 1.00 0.00 H new ATOM 0 HB3 CYS A 100 -0.065 7.002 0.816 1.00 0.00 H new ATOM 0 HG CYS A 100 2.217 8.374 -0.289 1.00 0.00 H new ATOM 1528 N ILE A 101 -3.100 7.458 2.313 1.00 0.00 N ATOM 1529 CA ILE A 101 -3.944 6.613 3.136 1.00 0.00 C ATOM 1530 C ILE A 101 -3.865 5.162 2.679 1.00 0.00 C ATOM 1531 O ILE A 101 -4.443 4.792 1.653 1.00 0.00 O ATOM 1532 CB ILE A 101 -5.417 7.073 3.083 1.00 0.00 C ATOM 1533 CG1 ILE A 101 -5.517 8.589 3.281 1.00 0.00 C ATOM 1534 CG2 ILE A 101 -6.236 6.339 4.134 1.00 0.00 C ATOM 1535 CD1 ILE A 101 -6.887 9.154 2.971 1.00 0.00 C ATOM 0 H ILE A 101 -3.550 7.792 1.461 1.00 0.00 H new ATOM 0 HA ILE A 101 -3.580 6.695 4.160 1.00 0.00 H new ATOM 0 HB ILE A 101 -5.820 6.832 2.099 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -5.259 8.830 4.312 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -4.779 9.079 2.646 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -7.273 6.673 4.086 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -6.191 5.266 3.946 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -5.832 6.552 5.124 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -6.881 10.232 3.134 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -7.140 8.945 1.931 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -7.627 8.692 3.624 1.00 0.00 H new ATOM 1547 N MET A 102 -3.139 4.349 3.430 1.00 0.00 N ATOM 1548 CA MET A 102 -3.000 2.937 3.113 1.00 0.00 C ATOM 1549 C MET A 102 -4.243 2.198 3.581 1.00 0.00 C ATOM 1550 O MET A 102 -4.472 2.047 4.779 1.00 0.00 O ATOM 1551 CB MET A 102 -1.755 2.353 3.786 1.00 0.00 C ATOM 1552 CG MET A 102 -1.477 0.904 3.413 1.00 0.00 C ATOM 1553 SD MET A 102 -0.332 0.101 4.549 1.00 0.00 S ATOM 1554 CE MET A 102 1.076 1.206 4.462 1.00 0.00 C ATOM 0 H MET A 102 -2.635 4.644 4.266 1.00 0.00 H new ATOM 0 HA MET A 102 -2.888 2.821 2.035 1.00 0.00 H new ATOM 0 HB2 MET A 102 -0.890 2.960 3.518 1.00 0.00 H new ATOM 0 HB3 MET A 102 -1.871 2.424 4.867 1.00 0.00 H new ATOM 0 HG2 MET A 102 -2.416 0.350 3.398 1.00 0.00 H new ATOM 0 HG3 MET A 102 -1.068 0.865 2.403 1.00 0.00 H new ATOM 0 HE1 MET A 102 1.932 0.744 4.954 1.00 0.00 H new ATOM 0 HE2 MET A 102 1.320 1.403 3.418 1.00 0.00 H new ATOM 0 HE3 MET A 102 0.834 2.144 4.961 1.00 0.00 H new ATOM 1564 N CYS A 103 -5.062 1.768 2.639 1.00 0.00 N ATOM 1565 CA CYS A 103 -6.282 1.064 2.976 1.00 0.00 C ATOM 1566 C CYS A 103 -6.205 -0.393 2.547 1.00 0.00 C ATOM 1567 O CYS A 103 -6.308 -0.713 1.362 1.00 0.00 O ATOM 1568 CB CYS A 103 -7.479 1.747 2.318 1.00 0.00 C ATOM 1569 SG CYS A 103 -7.437 3.552 2.420 1.00 0.00 S ATOM 0 H CYS A 103 -4.904 1.894 1.639 1.00 0.00 H new ATOM 0 HA CYS A 103 -6.407 1.092 4.058 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -7.522 1.453 1.269 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -8.394 1.387 2.788 1.00 0.00 H new ATOM 0 HG CYS A 103 -6.247 3.976 2.113 1.00 0.00 H new ATOM 1575 N VAL A 104 -5.996 -1.267 3.516 1.00 0.00 N ATOM 1576 CA VAL A 104 -5.925 -2.693 3.253 1.00 0.00 C ATOM 1577 C VAL A 104 -7.322 -3.281 3.369 1.00 0.00 C ATOM 1578 O VAL A 104 -7.881 -3.362 4.463 1.00 0.00 O ATOM 1579 CB VAL A 104 -4.973 -3.407 4.231 1.00 0.00 C ATOM 1580 CG1 VAL A 104 -4.486 -4.720 3.639 1.00 0.00 C ATOM 1581 CG2 VAL A 104 -3.798 -2.507 4.584 1.00 0.00 C ATOM 0 H VAL A 104 -5.872 -1.012 4.496 1.00 0.00 H new ATOM 0 HA VAL A 104 -5.531 -2.842 2.248 1.00 0.00 H new ATOM 0 HB VAL A 104 -5.521 -3.628 5.147 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -3.815 -5.210 4.344 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -5.339 -5.368 3.440 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -3.954 -4.524 2.708 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -3.136 -3.028 5.276 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -3.249 -2.253 3.677 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -4.167 -1.594 5.052 1.00 0.00 H new ATOM 1591 N ASN A 105 -7.893 -3.665 2.239 1.00 0.00 N ATOM 1592 CA ASN A 105 -9.245 -4.200 2.220 1.00 0.00 C ATOM 1593 C ASN A 105 -9.248 -5.719 2.231 1.00 0.00 C ATOM 1594 O ASN A 105 -8.808 -6.364 1.277 1.00 0.00 O ATOM 1595 CB ASN A 105 -9.999 -3.685 0.998 1.00 0.00 C ATOM 1596 CG ASN A 105 -11.373 -3.164 1.353 1.00 0.00 C ATOM 1597 OD1 ASN A 105 -12.011 -3.649 2.286 1.00 0.00 O ATOM 1598 ND2 ASN A 105 -11.839 -2.165 0.619 1.00 0.00 N ATOM 0 H ASN A 105 -7.443 -3.617 1.325 1.00 0.00 H new ATOM 0 HA ASN A 105 -9.748 -3.859 3.125 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -9.422 -2.890 0.525 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -10.094 -4.488 0.267 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -12.758 -1.770 0.819 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -11.279 -1.790 -0.147 1.00 0.00 H new ATOM 1605 N TYR A 106 -9.759 -6.277 3.314 1.00 0.00 N ATOM 1606 CA TYR A 106 -9.835 -7.715 3.481 1.00 0.00 C ATOM 1607 C TYR A 106 -11.221 -8.215 3.087 1.00 0.00 C ATOM 1608 O TYR A 106 -12.148 -8.213 3.900 1.00 0.00 O ATOM 1609 CB TYR A 106 -9.541 -8.099 4.934 1.00 0.00 C ATOM 1610 CG TYR A 106 -8.167 -7.692 5.421 1.00 0.00 C ATOM 1611 CD1 TYR A 106 -7.079 -8.540 5.267 1.00 0.00 C ATOM 1612 CD2 TYR A 106 -7.959 -6.465 6.041 1.00 0.00 C ATOM 1613 CE1 TYR A 106 -5.822 -8.179 5.713 1.00 0.00 C ATOM 1614 CE2 TYR A 106 -6.705 -6.097 6.489 1.00 0.00 C ATOM 1615 CZ TYR A 106 -5.641 -6.957 6.322 1.00 0.00 C ATOM 1616 OH TYR A 106 -4.392 -6.596 6.769 1.00 0.00 O ATOM 0 H TYR A 106 -10.132 -5.746 4.101 1.00 0.00 H new ATOM 0 HA TYR A 106 -9.089 -8.179 2.835 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -10.292 -7.641 5.578 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -9.646 -9.179 5.040 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -7.217 -9.499 4.790 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -8.791 -5.789 6.174 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -4.986 -8.851 5.585 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -6.559 -5.140 6.968 1.00 0.00 H new ATOM 0 HH TYR A 106 -4.434 -5.704 7.173 1.00 0.00 H new ATOM 1626 N VAL A 107 -11.365 -8.620 1.832 1.00 0.00 N ATOM 1627 CA VAL A 107 -12.638 -9.119 1.327 1.00 0.00 C ATOM 1628 C VAL A 107 -12.902 -10.531 1.843 1.00 0.00 C ATOM 1629 O VAL A 107 -12.099 -11.441 1.621 1.00 0.00 O ATOM 1630 CB VAL A 107 -12.669 -9.123 -0.217 1.00 0.00 C ATOM 1631 CG1 VAL A 107 -14.056 -9.478 -0.734 1.00 0.00 C ATOM 1632 CG2 VAL A 107 -12.217 -7.775 -0.761 1.00 0.00 C ATOM 0 H VAL A 107 -10.613 -8.613 1.143 1.00 0.00 H new ATOM 0 HA VAL A 107 -13.418 -8.448 1.688 1.00 0.00 H new ATOM 0 HB VAL A 107 -11.976 -9.887 -0.570 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -14.050 -9.474 -1.824 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -14.335 -10.469 -0.377 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -14.778 -8.746 -0.372 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -12.245 -7.795 -1.850 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -12.883 -6.993 -0.395 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -11.200 -7.571 -0.427 1.00 0.00 H new ATOM 1642 N LEU A 108 -14.018 -10.702 2.541 1.00 0.00 N ATOM 1643 CA LEU A 108 -14.386 -11.997 3.095 1.00 0.00 C ATOM 1644 C LEU A 108 -15.720 -12.477 2.538 1.00 0.00 C ATOM 1645 O LEU A 108 -15.806 -13.557 1.954 1.00 0.00 O ATOM 1646 CB LEU A 108 -14.463 -11.921 4.622 1.00 0.00 C ATOM 1647 CG LEU A 108 -13.231 -12.443 5.357 1.00 0.00 C ATOM 1648 CD1 LEU A 108 -13.439 -12.381 6.861 1.00 0.00 C ATOM 1649 CD2 LEU A 108 -12.920 -13.867 4.925 1.00 0.00 C ATOM 0 H LEU A 108 -14.686 -9.956 2.737 1.00 0.00 H new ATOM 0 HA LEU A 108 -13.615 -12.712 2.807 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -14.627 -10.883 4.911 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -15.333 -12.486 4.955 1.00 0.00 H new ATOM 0 HG LEU A 108 -12.383 -11.808 5.100 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -12.550 -12.757 7.367 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -13.618 -11.349 7.161 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -14.299 -12.993 7.135 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -12.039 -14.225 5.458 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -13.769 -14.511 5.155 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -12.728 -13.888 3.852 1.00 0.00 H new ATOM 1661 N SER A 109 -16.754 -11.669 2.724 1.00 0.00 N ATOM 1662 CA SER A 109 -18.088 -12.010 2.255 1.00 0.00 C ATOM 1663 C SER A 109 -18.193 -11.885 0.733 1.00 0.00 C ATOM 1664 O SER A 109 -17.257 -11.436 0.068 1.00 0.00 O ATOM 1665 CB SER A 109 -19.111 -11.108 2.938 1.00 0.00 C ATOM 1666 OG SER A 109 -18.718 -10.818 4.273 1.00 0.00 O ATOM 0 H SER A 109 -16.693 -10.768 3.199 1.00 0.00 H new ATOM 0 HA SER A 109 -18.292 -13.050 2.512 1.00 0.00 H new ATOM 0 HB2 SER A 109 -19.217 -10.180 2.376 1.00 0.00 H new ATOM 0 HB3 SER A 109 -20.087 -11.593 2.939 1.00 0.00 H new ATOM 0 HG SER A 109 -19.387 -10.237 4.692 1.00 0.00 H new ATOM 1672 N GLU A 110 -19.339 -12.279 0.193 1.00 0.00 N ATOM 1673 CA GLU A 110 -19.569 -12.229 -1.244 1.00 0.00 C ATOM 1674 C GLU A 110 -20.325 -10.960 -1.631 1.00 0.00 C ATOM 1675 O GLU A 110 -20.577 -10.092 -0.789 1.00 0.00 O ATOM 1676 CB GLU A 110 -20.340 -13.473 -1.712 1.00 0.00 C ATOM 1677 CG GLU A 110 -21.771 -13.556 -1.193 1.00 0.00 C ATOM 1678 CD GLU A 110 -21.852 -13.999 0.254 1.00 0.00 C ATOM 1679 OE1 GLU A 110 -21.802 -13.134 1.152 1.00 0.00 O ATOM 1680 OE2 GLU A 110 -21.963 -15.214 0.502 1.00 0.00 O ATOM 0 H GLU A 110 -20.127 -12.638 0.732 1.00 0.00 H new ATOM 0 HA GLU A 110 -18.599 -12.214 -1.740 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -20.360 -13.485 -2.802 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -19.798 -14.363 -1.393 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -22.246 -12.580 -1.295 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -22.336 -14.252 -1.812 1.00 0.00 H new ATOM 1687 N ILE A 111 -20.691 -10.863 -2.901 1.00 0.00 N ATOM 1688 CA ILE A 111 -21.408 -9.702 -3.404 1.00 0.00 C ATOM 1689 C ILE A 111 -22.906 -9.843 -3.153 1.00 0.00 C ATOM 1690 O ILE A 111 -23.514 -10.851 -3.511 1.00 0.00 O ATOM 1691 CB ILE A 111 -21.163 -9.506 -4.916 1.00 0.00 C ATOM 1692 CG1 ILE A 111 -19.677 -9.693 -5.246 1.00 0.00 C ATOM 1693 CG2 ILE A 111 -21.636 -8.128 -5.356 1.00 0.00 C ATOM 1694 CD1 ILE A 111 -19.388 -9.775 -6.729 1.00 0.00 C ATOM 0 H ILE A 111 -20.502 -11.578 -3.604 1.00 0.00 H new ATOM 0 HA ILE A 111 -21.031 -8.830 -2.869 1.00 0.00 H new ATOM 0 HB ILE A 111 -21.735 -10.258 -5.460 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -19.112 -8.863 -4.820 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -19.319 -10.603 -4.764 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -21.456 -8.006 -6.424 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -22.702 -8.028 -5.154 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -21.089 -7.363 -4.806 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -18.317 -9.907 -6.884 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -19.924 -10.622 -7.158 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -19.714 -8.855 -7.215 1.00 0.00 H new ATOM 1706 N GLU A 112 -23.486 -8.833 -2.529 1.00 0.00 N ATOM 1707 CA GLU A 112 -24.906 -8.820 -2.225 1.00 0.00 C ATOM 1708 C GLU A 112 -25.618 -7.866 -3.177 1.00 0.00 C ATOM 1709 O GLU A 112 -24.925 -7.224 -3.995 1.00 0.00 O ATOM 1710 CB GLU A 112 -25.119 -8.382 -0.774 1.00 0.00 C ATOM 1711 CG GLU A 112 -26.456 -8.802 -0.190 1.00 0.00 C ATOM 1712 CD GLU A 112 -26.787 -8.047 1.076 1.00 0.00 C ATOM 1713 OE1 GLU A 112 -26.239 -8.396 2.142 1.00 0.00 O ATOM 1714 OE2 GLU A 112 -27.596 -7.097 1.011 1.00 0.00 O ATOM 1715 OXT GLU A 112 -26.860 -7.753 -3.107 1.00 0.00 O ATOM 0 H GLU A 112 -22.986 -7.999 -2.219 1.00 0.00 H new ATOM 0 HA GLU A 112 -25.318 -9.821 -2.352 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -24.320 -8.797 -0.160 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -25.035 -7.297 -0.717 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -27.241 -8.634 -0.927 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -26.439 -9.871 0.020 1.00 0.00 H new TER 1722 GLU A 112 ATOM 1723 N CYS B 7 5.006 13.300 -15.043 1.00 1.33 N ATOM 1724 CA CYS B 7 6.078 13.240 -14.025 1.00 1.38 C ATOM 1725 C CYS B 7 5.635 12.400 -12.831 1.00 1.15 C ATOM 1726 O CYS B 7 4.440 12.270 -12.560 1.00 1.28 O ATOM 1727 CB CYS B 7 6.447 14.653 -13.573 1.00 1.79 C ATOM 1728 SG CYS B 7 7.072 15.708 -14.902 1.00 2.58 S ATOM 0 HA CYS B 7 6.956 12.770 -14.468 1.00 1.38 H new ATOM 0 HB2 CYS B 7 5.569 15.124 -13.132 1.00 1.79 H new ATOM 0 HB3 CYS B 7 7.201 14.588 -12.789 1.00 1.79 H new ATOM 0 HG CYS B 7 7.356 16.884 -14.426 1.00 2.58 H new ATOM 1736 N GLN B 8 6.600 11.833 -12.123 1.00 0.90 N ATOM 1737 CA GLN B 8 6.317 10.992 -10.970 1.00 0.76 C ATOM 1738 C GLN B 8 6.948 11.578 -9.710 1.00 0.65 C ATOM 1739 O GLN B 8 8.044 12.137 -9.764 1.00 0.64 O ATOM 1740 CB GLN B 8 6.864 9.580 -11.204 1.00 0.71 C ATOM 1741 CG GLN B 8 6.357 8.921 -12.478 1.00 0.89 C ATOM 1742 CD GLN B 8 4.974 8.320 -12.314 1.00 1.17 C ATOM 1743 OE1 GLN B 8 4.834 7.163 -11.923 1.00 1.79 O ATOM 1744 NE2 GLN B 8 3.943 9.096 -12.611 1.00 1.90 N ATOM 0 H GLN B 8 7.593 11.941 -12.329 1.00 0.90 H new ATOM 0 HA GLN B 8 5.236 10.947 -10.836 1.00 0.76 H new ATOM 0 HB2 GLN B 8 7.953 9.625 -11.239 1.00 0.71 H new ATOM 0 HB3 GLN B 8 6.598 8.953 -10.353 1.00 0.71 H new ATOM 0 HG2 GLN B 8 6.336 9.659 -13.280 1.00 0.89 H new ATOM 0 HG3 GLN B 8 7.055 8.140 -12.781 1.00 0.89 H new ATOM 0 HE21 GLN B 8 4.100 10.051 -12.933 1.00 1.90 H new ATOM 0 HE22 GLN B 8 2.992 8.739 -12.518 1.00 1.90 H new ATOM 1753 N PRO B 9 6.249 11.492 -8.570 1.00 0.64 N ATOM 1754 CA PRO B 9 6.750 11.988 -7.287 1.00 0.56 C ATOM 1755 C PRO B 9 7.741 11.014 -6.646 1.00 0.44 C ATOM 1756 O PRO B 9 7.847 9.856 -7.059 1.00 0.38 O ATOM 1757 CB PRO B 9 5.486 12.104 -6.417 1.00 0.61 C ATOM 1758 CG PRO B 9 4.334 11.748 -7.303 1.00 0.75 C ATOM 1759 CD PRO B 9 4.898 10.944 -8.436 1.00 0.77 C ATOM 0 HA PRO B 9 7.289 12.929 -7.400 1.00 0.56 H new ATOM 0 HB2 PRO B 9 5.540 11.432 -5.560 1.00 0.61 H new ATOM 0 HB3 PRO B 9 5.376 13.114 -6.023 1.00 0.61 H new ATOM 0 HG2 PRO B 9 3.587 11.174 -6.755 1.00 0.75 H new ATOM 0 HG3 PRO B 9 3.838 12.645 -7.674 1.00 0.75 H new ATOM 0 HD2 PRO B 9 4.913 9.878 -8.209 1.00 0.77 H new ATOM 0 HD3 PRO B 9 4.317 11.067 -9.350 1.00 0.77 H new ATOM 1767 N THR B 10 8.462 11.482 -5.636 1.00 0.43 N ATOM 1768 CA THR B 10 9.433 10.652 -4.941 1.00 0.37 C ATOM 1769 C THR B 10 8.760 9.828 -3.843 1.00 0.31 C ATOM 1770 O THR B 10 8.943 10.094 -2.652 1.00 0.39 O ATOM 1771 CB THR B 10 10.546 11.513 -4.320 1.00 0.46 C ATOM 1772 OG1 THR B 10 10.548 12.821 -4.915 1.00 0.88 O ATOM 1773 CG2 THR B 10 11.907 10.864 -4.517 1.00 0.62 C ATOM 0 H THR B 10 8.391 12.435 -5.280 1.00 0.43 H new ATOM 0 HA THR B 10 9.872 9.977 -5.676 1.00 0.37 H new ATOM 0 HB THR B 10 10.351 11.599 -3.251 1.00 0.46 H new ATOM 0 HG1 THR B 10 11.259 13.362 -4.512 1.00 0.88 H new ATOM 0 HG21 THR B 10 12.678 11.492 -4.069 1.00 0.62 H new ATOM 0 HG22 THR B 10 11.915 9.884 -4.040 1.00 0.62 H new ATOM 0 HG23 THR B 10 12.105 10.751 -5.583 1.00 0.62 H new ATOM 1781 N GLU B 11 7.972 8.840 -4.255 1.00 0.30 N ATOM 1782 CA GLU B 11 7.258 7.973 -3.325 1.00 0.31 C ATOM 1783 C GLU B 11 6.534 6.873 -4.099 1.00 0.27 C ATOM 1784 O GLU B 11 5.860 7.153 -5.092 1.00 0.31 O ATOM 1785 CB GLU B 11 6.251 8.794 -2.508 1.00 0.45 C ATOM 1786 CG GLU B 11 5.953 8.223 -1.132 1.00 1.13 C ATOM 1787 CD GLU B 11 4.623 7.508 -1.077 1.00 1.36 C ATOM 1788 OE1 GLU B 11 4.384 6.630 -1.925 1.00 1.83 O ATOM 1789 OE2 GLU B 11 3.801 7.829 -0.193 1.00 1.65 O ATOM 0 H GLU B 11 7.811 8.619 -5.238 1.00 0.30 H new ATOM 0 HA GLU B 11 7.973 7.516 -2.641 1.00 0.31 H new ATOM 0 HB2 GLU B 11 6.634 9.808 -2.393 1.00 0.45 H new ATOM 0 HB3 GLU B 11 5.319 8.867 -3.068 1.00 0.45 H new ATOM 0 HG2 GLU B 11 6.746 7.530 -0.850 1.00 1.13 H new ATOM 0 HG3 GLU B 11 5.959 9.029 -0.399 1.00 1.13 H new ATOM 1796 N PHE B 12 6.673 5.627 -3.655 1.00 0.30 N ATOM 1797 CA PHE B 12 6.022 4.506 -4.323 1.00 0.30 C ATOM 1798 C PHE B 12 5.851 3.321 -3.368 1.00 0.27 C ATOM 1799 O PHE B 12 6.161 3.424 -2.181 1.00 0.33 O ATOM 1800 CB PHE B 12 6.806 4.092 -5.580 1.00 0.35 C ATOM 1801 CG PHE B 12 8.141 3.445 -5.321 1.00 0.34 C ATOM 1802 CD1 PHE B 12 9.244 4.211 -4.984 1.00 0.39 C ATOM 1803 CD2 PHE B 12 8.293 2.073 -5.436 1.00 0.42 C ATOM 1804 CE1 PHE B 12 10.474 3.620 -4.765 1.00 0.42 C ATOM 1805 CE2 PHE B 12 9.521 1.477 -5.220 1.00 0.45 C ATOM 1806 CZ PHE B 12 10.612 2.251 -4.884 1.00 0.40 C ATOM 0 H PHE B 12 7.228 5.369 -2.839 1.00 0.30 H new ATOM 0 HA PHE B 12 5.028 4.829 -4.634 1.00 0.30 H new ATOM 0 HB2 PHE B 12 6.193 3.402 -6.160 1.00 0.35 H new ATOM 0 HB3 PHE B 12 6.963 4.976 -6.198 1.00 0.35 H new ATOM 0 HD1 PHE B 12 9.142 5.282 -4.891 1.00 0.39 H new ATOM 0 HD2 PHE B 12 7.442 1.462 -5.698 1.00 0.42 H new ATOM 0 HE1 PHE B 12 11.327 4.228 -4.501 1.00 0.42 H new ATOM 0 HE2 PHE B 12 9.626 0.406 -5.314 1.00 0.45 H new ATOM 0 HZ PHE B 12 11.573 1.787 -4.714 1.00 0.40 H new ATOM 1816 N ILE B 13 5.338 2.206 -3.889 1.00 0.27 N ATOM 1817 CA ILE B 13 5.117 1.008 -3.084 1.00 0.27 C ATOM 1818 C ILE B 13 6.000 -0.144 -3.560 1.00 0.29 C ATOM 1819 O ILE B 13 5.955 -0.538 -4.729 1.00 0.35 O ATOM 1820 CB ILE B 13 3.635 0.554 -3.126 1.00 0.36 C ATOM 1821 CG1 ILE B 13 2.728 1.590 -2.453 1.00 0.98 C ATOM 1822 CG2 ILE B 13 3.464 -0.807 -2.459 1.00 0.85 C ATOM 1823 CD1 ILE B 13 2.958 1.726 -0.962 1.00 1.40 C ATOM 0 H ILE B 13 5.068 2.109 -4.868 1.00 0.27 H new ATOM 0 HA ILE B 13 5.378 1.269 -2.058 1.00 0.27 H new ATOM 0 HB ILE B 13 3.343 0.465 -4.172 1.00 0.36 H new ATOM 0 HG12 ILE B 13 2.886 2.559 -2.926 1.00 0.98 H new ATOM 0 HG13 ILE B 13 1.687 1.316 -2.627 1.00 0.98 H new ATOM 0 HG21 ILE B 13 2.416 -1.104 -2.501 1.00 0.85 H new ATOM 0 HG22 ILE B 13 4.072 -1.547 -2.980 1.00 0.85 H new ATOM 0 HG23 ILE B 13 3.782 -0.745 -1.418 1.00 0.85 H new ATOM 0 HD11 ILE B 13 2.280 2.477 -0.556 1.00 1.40 H new ATOM 0 HD12 ILE B 13 2.771 0.768 -0.476 1.00 1.40 H new ATOM 0 HD13 ILE B 13 3.988 2.031 -0.779 1.00 1.40 H new ATOM 1835 N SER B 14 6.803 -0.672 -2.652 1.00 0.34 N ATOM 1836 CA SER B 14 7.679 -1.787 -2.960 1.00 0.42 C ATOM 1837 C SER B 14 7.017 -3.104 -2.561 1.00 0.35 C ATOM 1838 O SER B 14 7.114 -3.530 -1.409 1.00 0.40 O ATOM 1839 CB SER B 14 9.011 -1.637 -2.220 1.00 0.54 C ATOM 1840 OG SER B 14 9.679 -0.448 -2.595 1.00 1.47 O ATOM 0 H SER B 14 6.866 -0.343 -1.689 1.00 0.34 H new ATOM 0 HA SER B 14 7.867 -1.791 -4.034 1.00 0.42 H new ATOM 0 HB2 SER B 14 8.833 -1.632 -1.145 1.00 0.54 H new ATOM 0 HB3 SER B 14 9.647 -2.496 -2.434 1.00 0.54 H new ATOM 0 HG SER B 14 9.079 0.317 -2.473 1.00 1.47 H new ATOM 1846 N ARG B 15 6.322 -3.733 -3.499 1.00 0.31 N ATOM 1847 CA ARG B 15 5.663 -5.005 -3.230 1.00 0.31 C ATOM 1848 C ARG B 15 6.658 -6.137 -3.453 1.00 0.27 C ATOM 1849 O ARG B 15 6.966 -6.486 -4.592 1.00 0.29 O ATOM 1850 CB ARG B 15 4.439 -5.190 -4.134 1.00 0.42 C ATOM 1851 CG ARG B 15 3.535 -3.969 -4.199 1.00 0.54 C ATOM 1852 CD ARG B 15 2.423 -4.141 -5.223 1.00 0.90 C ATOM 1853 NE ARG B 15 1.403 -5.087 -4.769 1.00 1.40 N ATOM 1854 CZ ARG B 15 0.091 -4.864 -4.845 1.00 1.85 C ATOM 1855 NH1 ARG B 15 -0.369 -3.776 -5.446 1.00 2.03 N ATOM 1856 NH2 ARG B 15 -0.762 -5.750 -4.353 1.00 2.69 N ATOM 0 H ARG B 15 6.200 -3.385 -4.450 1.00 0.31 H new ATOM 0 HA ARG B 15 5.319 -5.015 -2.196 1.00 0.31 H new ATOM 0 HB2 ARG B 15 4.776 -5.435 -5.141 1.00 0.42 H new ATOM 0 HB3 ARG B 15 3.860 -6.041 -3.776 1.00 0.42 H new ATOM 0 HG2 ARG B 15 3.099 -3.787 -3.217 1.00 0.54 H new ATOM 0 HG3 ARG B 15 4.129 -3.091 -4.452 1.00 0.54 H new ATOM 0 HD2 ARG B 15 1.959 -3.175 -5.421 1.00 0.90 H new ATOM 0 HD3 ARG B 15 2.848 -4.489 -6.165 1.00 0.90 H new ATOM 0 HE ARG B 15 1.715 -5.972 -4.370 1.00 1.40 H new ATOM 0 HH11 ARG B 15 0.282 -3.104 -5.853 1.00 2.03 H new ATOM 0 HH12 ARG B 15 -1.374 -3.610 -5.501 1.00 2.03 H new ATOM 0 HH21 ARG B 15 -0.415 -6.604 -3.916 1.00 2.69 H new ATOM 0 HH22 ARG B 15 -1.766 -5.579 -4.412 1.00 2.69 H new ATOM 1870 N HIS B 16 7.172 -6.697 -2.369 1.00 0.28 N ATOM 1871 CA HIS B 16 8.158 -7.770 -2.463 1.00 0.28 C ATOM 1872 C HIS B 16 7.889 -8.851 -1.426 1.00 0.32 C ATOM 1873 O HIS B 16 7.201 -8.610 -0.438 1.00 0.40 O ATOM 1874 CB HIS B 16 9.572 -7.208 -2.263 1.00 0.32 C ATOM 1875 CG HIS B 16 9.794 -6.585 -0.918 1.00 0.36 C ATOM 1876 ND1 HIS B 16 10.051 -7.319 0.219 1.00 0.54 N ATOM 1877 CD2 HIS B 16 9.778 -5.291 -0.531 1.00 0.75 C ATOM 1878 CE1 HIS B 16 10.182 -6.504 1.244 1.00 0.46 C ATOM 1879 NE2 HIS B 16 10.020 -5.265 0.819 1.00 0.61 N ATOM 0 H HIS B 16 6.926 -6.430 -1.416 1.00 0.28 H new ATOM 0 HA HIS B 16 8.079 -8.213 -3.456 1.00 0.28 H new ATOM 0 HB2 HIS B 16 10.295 -8.012 -2.404 1.00 0.32 H new ATOM 0 HB3 HIS B 16 9.769 -6.463 -3.034 1.00 0.32 H new ATOM 0 HD1 HIS B 16 10.128 -8.335 0.260 1.00 0.54 H new ATOM 0 HD2 HIS B 16 9.606 -4.435 -1.167 1.00 0.75 H new ATOM 0 HE1 HIS B 16 10.388 -6.799 2.262 1.00 0.46 H new ATOM 1888 N ASN B 17 8.451 -10.029 -1.642 1.00 0.31 N ATOM 1889 CA ASN B 17 8.273 -11.132 -0.710 1.00 0.39 C ATOM 1890 C ASN B 17 9.239 -10.992 0.467 1.00 0.35 C ATOM 1891 O ASN B 17 10.010 -10.027 0.531 1.00 0.32 O ATOM 1892 CB ASN B 17 8.457 -12.480 -1.423 1.00 0.49 C ATOM 1893 CG ASN B 17 9.905 -12.932 -1.541 1.00 0.95 C ATOM 1894 OD1 ASN B 17 10.824 -12.123 -1.685 1.00 2.04 O ATOM 1895 ND2 ASN B 17 10.112 -14.238 -1.464 1.00 0.59 N ATOM 0 H ASN B 17 9.032 -10.246 -2.451 1.00 0.31 H new ATOM 0 HA ASN B 17 7.256 -11.099 -0.320 1.00 0.39 H new ATOM 0 HB2 ASN B 17 7.893 -13.242 -0.885 1.00 0.49 H new ATOM 0 HB3 ASN B 17 8.027 -12.411 -2.422 1.00 0.49 H new ATOM 0 HD21 ASN B 17 11.060 -14.608 -1.524 1.00 0.59 H new ATOM 0 HD22 ASN B 17 9.323 -14.873 -1.345 1.00 0.59 H new ATOM 1902 N ILE B 18 9.193 -11.948 1.388 1.00 0.40 N ATOM 1903 CA ILE B 18 10.049 -11.932 2.577 1.00 0.45 C ATOM 1904 C ILE B 18 11.543 -11.883 2.236 1.00 0.44 C ATOM 1905 O ILE B 18 12.320 -11.256 2.950 1.00 0.52 O ATOM 1906 CB ILE B 18 9.776 -13.151 3.479 1.00 0.53 C ATOM 1907 CG1 ILE B 18 9.762 -14.441 2.652 1.00 0.59 C ATOM 1908 CG2 ILE B 18 8.458 -12.970 4.222 1.00 0.57 C ATOM 1909 CD1 ILE B 18 9.567 -15.688 3.480 1.00 0.70 C ATOM 0 H ILE B 18 8.567 -12.752 1.336 1.00 0.40 H new ATOM 0 HA ILE B 18 9.796 -11.016 3.111 1.00 0.45 H new ATOM 0 HB ILE B 18 10.578 -13.229 4.213 1.00 0.53 H new ATOM 0 HG12 ILE B 18 8.965 -14.379 1.911 1.00 0.59 H new ATOM 0 HG13 ILE B 18 10.701 -14.522 2.104 1.00 0.59 H new ATOM 0 HG21 ILE B 18 8.276 -13.838 4.856 1.00 0.57 H new ATOM 0 HG22 ILE B 18 8.509 -12.073 4.840 1.00 0.57 H new ATOM 0 HG23 ILE B 18 7.645 -12.869 3.502 1.00 0.57 H new ATOM 0 HD11 ILE B 18 9.568 -16.561 2.828 1.00 0.70 H new ATOM 0 HD12 ILE B 18 10.377 -15.775 4.204 1.00 0.70 H new ATOM 0 HD13 ILE B 18 8.615 -15.630 4.007 1.00 0.70 H new ATOM 1921 N GLU B 19 11.941 -12.530 1.143 1.00 0.41 N ATOM 1922 CA GLU B 19 13.346 -12.542 0.731 1.00 0.45 C ATOM 1923 C GLU B 19 13.778 -11.168 0.239 1.00 0.41 C ATOM 1924 O GLU B 19 14.963 -10.830 0.244 1.00 0.51 O ATOM 1925 CB GLU B 19 13.570 -13.545 -0.395 1.00 0.50 C ATOM 1926 CG GLU B 19 13.251 -14.978 -0.028 1.00 0.65 C ATOM 1927 CD GLU B 19 13.256 -15.877 -1.243 1.00 1.21 C ATOM 1928 OE1 GLU B 19 14.346 -16.335 -1.648 1.00 1.28 O ATOM 1929 OE2 GLU B 19 12.174 -16.111 -1.813 1.00 1.92 O ATOM 0 H GLU B 19 11.316 -13.051 0.528 1.00 0.41 H new ATOM 0 HA GLU B 19 13.936 -12.825 1.603 1.00 0.45 H new ATOM 0 HB2 GLU B 19 12.958 -13.257 -1.249 1.00 0.50 H new ATOM 0 HB3 GLU B 19 14.610 -13.488 -0.715 1.00 0.50 H new ATOM 0 HG2 GLU B 19 13.981 -15.340 0.696 1.00 0.65 H new ATOM 0 HG3 GLU B 19 12.274 -15.022 0.454 1.00 0.65 H new ATOM 1936 N GLY B 20 12.810 -10.388 -0.205 1.00 0.33 N ATOM 1937 CA GLY B 20 13.098 -9.071 -0.716 1.00 0.32 C ATOM 1938 C GLY B 20 12.894 -9.006 -2.212 1.00 0.29 C ATOM 1939 O GLY B 20 13.068 -7.954 -2.819 1.00 0.34 O ATOM 0 H GLY B 20 11.823 -10.646 -0.220 1.00 0.33 H new ATOM 0 HA2 GLY B 20 12.454 -8.340 -0.227 1.00 0.32 H new ATOM 0 HA3 GLY B 20 14.126 -8.802 -0.475 1.00 0.32 H new ATOM 1943 N ILE B 21 12.518 -10.141 -2.795 1.00 0.27 N ATOM 1944 CA ILE B 21 12.274 -10.235 -4.227 1.00 0.28 C ATOM 1945 C ILE B 21 11.029 -9.440 -4.586 1.00 0.27 C ATOM 1946 O ILE B 21 9.929 -9.753 -4.125 1.00 0.31 O ATOM 1947 CB ILE B 21 12.092 -11.705 -4.674 1.00 0.32 C ATOM 1948 CG1 ILE B 21 13.335 -12.531 -4.325 1.00 0.37 C ATOM 1949 CG2 ILE B 21 11.797 -11.781 -6.167 1.00 0.41 C ATOM 1950 CD1 ILE B 21 14.571 -12.129 -5.098 1.00 0.47 C ATOM 0 H ILE B 21 12.375 -11.015 -2.290 1.00 0.27 H new ATOM 0 HA ILE B 21 13.142 -9.826 -4.745 1.00 0.28 H new ATOM 0 HB ILE B 21 11.241 -12.124 -4.137 1.00 0.32 H new ATOM 0 HG12 ILE B 21 13.537 -12.433 -3.258 1.00 0.37 H new ATOM 0 HG13 ILE B 21 13.125 -13.584 -4.515 1.00 0.37 H new ATOM 0 HG21 ILE B 21 11.673 -12.823 -6.461 1.00 0.41 H new ATOM 0 HG22 ILE B 21 10.882 -11.231 -6.386 1.00 0.41 H new ATOM 0 HG23 ILE B 21 12.625 -11.344 -6.724 1.00 0.41 H new ATOM 0 HD11 ILE B 21 15.409 -12.758 -4.797 1.00 0.47 H new ATOM 0 HD12 ILE B 21 14.389 -12.254 -6.165 1.00 0.47 H new ATOM 0 HD13 ILE B 21 14.807 -11.085 -4.890 1.00 0.47 H new ATOM 1962 N PHE B 22 11.211 -8.399 -5.381 1.00 0.25 N ATOM 1963 CA PHE B 22 10.105 -7.545 -5.785 1.00 0.27 C ATOM 1964 C PHE B 22 9.161 -8.267 -6.737 1.00 0.28 C ATOM 1965 O PHE B 22 9.554 -8.685 -7.827 1.00 0.35 O ATOM 1966 CB PHE B 22 10.626 -6.270 -6.442 1.00 0.31 C ATOM 1967 CG PHE B 22 11.341 -5.350 -5.495 1.00 0.33 C ATOM 1968 CD1 PHE B 22 12.689 -5.523 -5.226 1.00 0.38 C ATOM 1969 CD2 PHE B 22 10.669 -4.305 -4.885 1.00 0.36 C ATOM 1970 CE1 PHE B 22 13.351 -4.675 -4.362 1.00 0.45 C ATOM 1971 CE2 PHE B 22 11.326 -3.454 -4.019 1.00 0.44 C ATOM 1972 CZ PHE B 22 12.670 -3.638 -3.759 1.00 0.46 C ATOM 0 H PHE B 22 12.117 -8.124 -5.761 1.00 0.25 H new ATOM 0 HA PHE B 22 9.548 -7.284 -4.885 1.00 0.27 H new ATOM 0 HB2 PHE B 22 11.303 -6.540 -7.252 1.00 0.31 H new ATOM 0 HB3 PHE B 22 9.789 -5.735 -6.891 1.00 0.31 H new ATOM 0 HD1 PHE B 22 13.228 -6.331 -5.698 1.00 0.38 H new ATOM 0 HD2 PHE B 22 9.619 -4.154 -5.089 1.00 0.36 H new ATOM 0 HE1 PHE B 22 14.401 -4.823 -4.158 1.00 0.45 H new ATOM 0 HE2 PHE B 22 10.790 -2.645 -3.545 1.00 0.44 H new ATOM 0 HZ PHE B 22 13.187 -2.971 -3.085 1.00 0.46 H new ATOM 1982 N THR B 23 7.918 -8.409 -6.308 1.00 0.27 N ATOM 1983 CA THR B 23 6.892 -9.055 -7.104 1.00 0.30 C ATOM 1984 C THR B 23 6.227 -8.029 -8.017 1.00 0.27 C ATOM 1985 O THR B 23 5.869 -8.322 -9.158 1.00 0.33 O ATOM 1986 CB THR B 23 5.831 -9.706 -6.198 1.00 0.42 C ATOM 1987 OG1 THR B 23 6.455 -10.191 -5.000 1.00 1.35 O ATOM 1988 CG2 THR B 23 5.131 -10.853 -6.911 1.00 1.14 C ATOM 0 H THR B 23 7.594 -8.080 -5.399 1.00 0.27 H new ATOM 0 HA THR B 23 7.359 -9.833 -7.707 1.00 0.30 H new ATOM 0 HB THR B 23 5.084 -8.953 -5.948 1.00 0.42 H new ATOM 0 HG1 THR B 23 5.779 -10.604 -4.423 1.00 1.35 H new ATOM 0 HG21 THR B 23 4.387 -11.294 -6.247 1.00 1.14 H new ATOM 0 HG22 THR B 23 4.640 -10.478 -7.809 1.00 1.14 H new ATOM 0 HG23 THR B 23 5.864 -11.610 -7.189 1.00 1.14 H new ATOM 1996 N PHE B 24 6.083 -6.816 -7.499 1.00 0.25 N ATOM 1997 CA PHE B 24 5.486 -5.718 -8.241 1.00 0.28 C ATOM 1998 C PHE B 24 6.066 -4.402 -7.740 1.00 0.26 C ATOM 1999 O PHE B 24 6.054 -4.128 -6.541 1.00 0.27 O ATOM 2000 CB PHE B 24 3.963 -5.717 -8.084 1.00 0.36 C ATOM 2001 CG PHE B 24 3.244 -5.000 -9.192 1.00 0.46 C ATOM 2002 CD1 PHE B 24 3.074 -3.626 -9.156 1.00 0.51 C ATOM 2003 CD2 PHE B 24 2.738 -5.705 -10.272 1.00 0.59 C ATOM 2004 CE1 PHE B 24 2.414 -2.969 -10.177 1.00 0.61 C ATOM 2005 CE2 PHE B 24 2.077 -5.055 -11.295 1.00 0.71 C ATOM 2006 CZ PHE B 24 1.915 -3.684 -11.247 1.00 0.70 C ATOM 0 H PHE B 24 6.377 -6.568 -6.554 1.00 0.25 H new ATOM 0 HA PHE B 24 5.714 -5.841 -9.300 1.00 0.28 H new ATOM 0 HB2 PHE B 24 3.610 -6.747 -8.040 1.00 0.36 H new ATOM 0 HB3 PHE B 24 3.705 -5.251 -7.133 1.00 0.36 H new ATOM 0 HD1 PHE B 24 3.462 -3.062 -8.321 1.00 0.51 H new ATOM 0 HD2 PHE B 24 2.862 -6.777 -10.314 1.00 0.59 H new ATOM 0 HE1 PHE B 24 2.289 -1.897 -10.138 1.00 0.61 H new ATOM 0 HE2 PHE B 24 1.687 -5.617 -12.131 1.00 0.71 H new ATOM 0 HZ PHE B 24 1.399 -3.172 -12.046 1.00 0.70 H new ATOM 2016 N VAL B 25 6.590 -3.602 -8.650 1.00 0.26 N ATOM 2017 CA VAL B 25 7.181 -2.326 -8.280 1.00 0.27 C ATOM 2018 C VAL B 25 6.386 -1.176 -8.869 1.00 0.26 C ATOM 2019 O VAL B 25 6.036 -1.195 -10.053 1.00 0.25 O ATOM 2020 CB VAL B 25 8.647 -2.222 -8.748 1.00 0.34 C ATOM 2021 CG1 VAL B 25 9.341 -1.038 -8.091 1.00 0.74 C ATOM 2022 CG2 VAL B 25 9.392 -3.513 -8.454 1.00 0.78 C ATOM 0 H VAL B 25 6.619 -3.811 -9.648 1.00 0.26 H new ATOM 0 HA VAL B 25 7.158 -2.266 -7.192 1.00 0.27 H new ATOM 0 HB VAL B 25 8.652 -2.061 -9.826 1.00 0.34 H new ATOM 0 HG11 VAL B 25 10.374 -0.984 -8.436 1.00 0.74 H new ATOM 0 HG12 VAL B 25 8.821 -0.118 -8.358 1.00 0.74 H new ATOM 0 HG13 VAL B 25 9.326 -1.162 -7.008 1.00 0.74 H new ATOM 0 HG21 VAL B 25 10.425 -3.422 -8.791 1.00 0.78 H new ATOM 0 HG22 VAL B 25 9.376 -3.706 -7.381 1.00 0.78 H new ATOM 0 HG23 VAL B 25 8.911 -4.338 -8.979 1.00 0.78 H new ATOM 2032 N ASP B 26 6.085 -0.190 -8.037 1.00 0.27 N ATOM 2033 CA ASP B 26 5.337 0.973 -8.481 1.00 0.29 C ATOM 2034 C ASP B 26 6.176 1.790 -9.453 1.00 0.24 C ATOM 2035 O ASP B 26 7.353 2.056 -9.209 1.00 0.22 O ATOM 2036 CB ASP B 26 4.909 1.835 -7.290 1.00 0.39 C ATOM 2037 CG ASP B 26 3.933 2.934 -7.678 1.00 0.48 C ATOM 2038 OD1 ASP B 26 4.302 3.818 -8.477 1.00 0.78 O ATOM 2039 OD2 ASP B 26 2.794 2.929 -7.171 1.00 0.72 O ATOM 0 H ASP B 26 6.348 -0.173 -7.052 1.00 0.27 H new ATOM 0 HA ASP B 26 4.436 0.631 -8.990 1.00 0.29 H new ATOM 0 HB2 ASP B 26 4.450 1.199 -6.533 1.00 0.39 H new ATOM 0 HB3 ASP B 26 5.793 2.284 -6.836 1.00 0.39 H new ATOM 2044 N HIS B 27 5.544 2.174 -10.550 1.00 0.26 N ATOM 2045 CA HIS B 27 6.167 2.960 -11.618 1.00 0.26 C ATOM 2046 C HIS B 27 6.845 4.236 -11.106 1.00 0.23 C ATOM 2047 O HIS B 27 7.746 4.763 -11.756 1.00 0.26 O ATOM 2048 CB HIS B 27 5.111 3.328 -12.671 1.00 0.34 C ATOM 2049 CG HIS B 27 3.767 3.665 -12.088 1.00 0.50 C ATOM 2050 ND1 HIS B 27 3.435 4.920 -11.630 1.00 0.70 N ATOM 2051 CD2 HIS B 27 2.681 2.887 -11.860 1.00 0.66 C ATOM 2052 CE1 HIS B 27 2.208 4.900 -11.145 1.00 0.86 C ATOM 2053 NE2 HIS B 27 1.727 3.679 -11.273 1.00 0.83 N ATOM 0 H HIS B 27 4.566 1.947 -10.732 1.00 0.26 H new ATOM 0 HA HIS B 27 6.947 2.337 -12.057 1.00 0.26 H new ATOM 0 HB2 HIS B 27 5.470 4.179 -13.250 1.00 0.34 H new ATOM 0 HB3 HIS B 27 4.997 2.495 -13.365 1.00 0.34 H new ATOM 0 HD1 HIS B 27 4.043 5.738 -11.661 1.00 0.70 H new ATOM 0 HD2 HIS B 27 2.584 1.838 -12.097 1.00 0.66 H new ATOM 0 HE1 HIS B 27 1.686 5.742 -10.715 1.00 0.86 H new ATOM 2062 N ARG B 28 6.423 4.729 -9.946 1.00 0.24 N ATOM 2063 CA ARG B 28 6.997 5.950 -9.381 1.00 0.27 C ATOM 2064 C ARG B 28 8.425 5.736 -8.867 1.00 0.24 C ATOM 2065 O ARG B 28 9.103 6.694 -8.489 1.00 0.28 O ATOM 2066 CB ARG B 28 6.110 6.477 -8.254 1.00 0.35 C ATOM 2067 CG ARG B 28 4.972 7.354 -8.740 1.00 0.48 C ATOM 2068 CD ARG B 28 3.830 7.403 -7.740 1.00 0.56 C ATOM 2069 NE ARG B 28 3.058 6.161 -7.734 1.00 0.99 N ATOM 2070 CZ ARG B 28 1.729 6.106 -7.754 1.00 1.26 C ATOM 2071 NH1 ARG B 28 1.009 7.219 -7.819 1.00 1.61 N ATOM 2072 NH2 ARG B 28 1.118 4.931 -7.714 1.00 1.87 N ATOM 0 H ARG B 28 5.689 4.305 -9.379 1.00 0.24 H new ATOM 0 HA ARG B 28 7.045 6.686 -10.184 1.00 0.27 H new ATOM 0 HB2 ARG B 28 5.697 5.633 -7.702 1.00 0.35 H new ATOM 0 HB3 ARG B 28 6.723 7.046 -7.555 1.00 0.35 H new ATOM 0 HG2 ARG B 28 5.342 8.364 -8.919 1.00 0.48 H new ATOM 0 HG3 ARG B 28 4.604 6.976 -9.694 1.00 0.48 H new ATOM 0 HD2 ARG B 28 4.228 7.588 -6.742 1.00 0.56 H new ATOM 0 HD3 ARG B 28 3.172 8.238 -7.980 1.00 0.56 H new ATOM 0 HE ARG B 28 3.572 5.280 -7.713 1.00 0.99 H new ATOM 0 HH11 ARG B 28 1.474 8.126 -7.854 1.00 1.61 H new ATOM 0 HH12 ARG B 28 -0.010 7.167 -7.834 1.00 1.61 H new ATOM 0 HH21 ARG B 28 1.666 4.072 -7.668 1.00 1.87 H new ATOM 0 HH22 ARG B 28 0.099 4.885 -7.729 1.00 1.87 H new ATOM 2086 N CYS B 29 8.888 4.488 -8.868 1.00 0.21 N ATOM 2087 CA CYS B 29 10.235 4.167 -8.399 1.00 0.22 C ATOM 2088 C CYS B 29 11.295 4.863 -9.250 1.00 0.22 C ATOM 2089 O CYS B 29 12.378 5.199 -8.762 1.00 0.25 O ATOM 2090 CB CYS B 29 10.462 2.653 -8.430 1.00 0.27 C ATOM 2091 SG CYS B 29 10.558 1.952 -10.094 1.00 1.34 S ATOM 0 H CYS B 29 8.351 3.682 -9.188 1.00 0.21 H new ATOM 0 HA CYS B 29 10.325 4.525 -7.373 1.00 0.22 H new ATOM 0 HB2 CYS B 29 11.385 2.424 -7.898 1.00 0.27 H new ATOM 0 HB3 CYS B 29 9.652 2.164 -7.888 1.00 0.27 H new ATOM 0 HG CYS B 29 11.787 2.003 -10.516 1.00 1.34 H new ATOM 2097 N VAL B 30 10.959 5.098 -10.514 1.00 0.24 N ATOM 2098 CA VAL B 30 11.865 5.740 -11.460 1.00 0.31 C ATOM 2099 C VAL B 30 12.286 7.128 -10.982 1.00 0.33 C ATOM 2100 O VAL B 30 13.449 7.514 -11.110 1.00 0.38 O ATOM 2101 CB VAL B 30 11.213 5.859 -12.852 1.00 0.39 C ATOM 2102 CG1 VAL B 30 12.189 6.450 -13.854 1.00 1.01 C ATOM 2103 CG2 VAL B 30 10.709 4.505 -13.327 1.00 0.92 C ATOM 0 H VAL B 30 10.053 4.849 -10.911 1.00 0.24 H new ATOM 0 HA VAL B 30 12.752 5.110 -11.528 1.00 0.31 H new ATOM 0 HB VAL B 30 10.359 6.532 -12.771 1.00 0.39 H new ATOM 0 HG11 VAL B 30 11.708 6.525 -14.829 1.00 1.01 H new ATOM 0 HG12 VAL B 30 12.494 7.443 -13.523 1.00 1.01 H new ATOM 0 HG13 VAL B 30 13.066 5.807 -13.930 1.00 1.01 H new ATOM 0 HG21 VAL B 30 10.253 4.611 -14.311 1.00 0.92 H new ATOM 0 HG22 VAL B 30 11.544 3.807 -13.388 1.00 0.92 H new ATOM 0 HG23 VAL B 30 9.969 4.125 -12.623 1.00 0.92 H new ATOM 2113 N ALA B 31 11.349 7.869 -10.414 1.00 0.34 N ATOM 2114 CA ALA B 31 11.640 9.212 -9.936 1.00 0.40 C ATOM 2115 C ALA B 31 12.046 9.207 -8.467 1.00 0.39 C ATOM 2116 O ALA B 31 12.405 10.242 -7.910 1.00 0.45 O ATOM 2117 CB ALA B 31 10.439 10.115 -10.145 1.00 0.46 C ATOM 0 H ALA B 31 10.385 7.566 -10.273 1.00 0.34 H new ATOM 0 HA ALA B 31 12.481 9.596 -10.513 1.00 0.40 H new ATOM 0 HB1 ALA B 31 10.670 11.117 -9.783 1.00 0.46 H new ATOM 0 HB2 ALA B 31 10.198 10.159 -11.207 1.00 0.46 H new ATOM 0 HB3 ALA B 31 9.585 9.718 -9.595 1.00 0.46 H new ATOM 2123 N THR B 32 12.005 8.041 -7.844 1.00 0.36 N ATOM 2124 CA THR B 32 12.358 7.926 -6.440 1.00 0.38 C ATOM 2125 C THR B 32 13.793 7.434 -6.256 1.00 0.42 C ATOM 2126 O THR B 32 14.604 8.100 -5.612 1.00 0.48 O ATOM 2127 CB THR B 32 11.384 6.991 -5.701 1.00 0.37 C ATOM 2128 OG1 THR B 32 10.032 7.379 -5.978 1.00 0.36 O ATOM 2129 CG2 THR B 32 11.623 7.031 -4.198 1.00 0.44 C ATOM 0 H THR B 32 11.732 7.164 -8.287 1.00 0.36 H new ATOM 0 HA THR B 32 12.284 8.925 -6.010 1.00 0.38 H new ATOM 0 HB THR B 32 11.556 5.974 -6.054 1.00 0.37 H new ATOM 0 HG1 THR B 32 9.764 7.029 -6.853 1.00 0.36 H new ATOM 0 HG21 THR B 32 10.922 6.362 -3.700 1.00 0.44 H new ATOM 0 HG22 THR B 32 12.643 6.713 -3.983 1.00 0.44 H new ATOM 0 HG23 THR B 32 11.476 8.047 -3.833 1.00 0.44 H new ATOM 2137 N VAL B 33 14.112 6.280 -6.825 1.00 0.42 N ATOM 2138 CA VAL B 33 15.455 5.725 -6.696 1.00 0.52 C ATOM 2139 C VAL B 33 16.179 5.690 -8.037 1.00 0.57 C ATOM 2140 O VAL B 33 17.391 5.492 -8.094 1.00 0.99 O ATOM 2141 CB VAL B 33 15.434 4.305 -6.089 1.00 0.56 C ATOM 2142 CG1 VAL B 33 14.999 4.354 -4.632 1.00 0.67 C ATOM 2143 CG2 VAL B 33 14.522 3.386 -6.889 1.00 0.51 C ATOM 0 H VAL B 33 13.467 5.713 -7.376 1.00 0.42 H new ATOM 0 HA VAL B 33 15.996 6.387 -6.019 1.00 0.52 H new ATOM 0 HB VAL B 33 16.445 3.901 -6.134 1.00 0.56 H new ATOM 0 HG11 VAL B 33 14.990 3.345 -4.221 1.00 0.67 H new ATOM 0 HG12 VAL B 33 15.696 4.971 -4.065 1.00 0.67 H new ATOM 0 HG13 VAL B 33 13.999 4.782 -4.565 1.00 0.67 H new ATOM 0 HG21 VAL B 33 14.524 2.392 -6.442 1.00 0.51 H new ATOM 0 HG22 VAL B 33 13.508 3.785 -6.883 1.00 0.51 H new ATOM 0 HG23 VAL B 33 14.880 3.322 -7.916 1.00 0.51 H new ATOM 2153 N GLY B 34 15.434 5.869 -9.118 1.00 0.36 N ATOM 2154 CA GLY B 34 16.037 5.854 -10.437 1.00 0.38 C ATOM 2155 C GLY B 34 15.956 4.491 -11.092 1.00 0.33 C ATOM 2156 O GLY B 34 15.824 4.389 -12.312 1.00 0.38 O ATOM 0 H GLY B 34 14.426 6.024 -9.107 1.00 0.36 H new ATOM 0 HA2 GLY B 34 15.539 6.589 -11.070 1.00 0.38 H new ATOM 0 HA3 GLY B 34 17.082 6.156 -10.360 1.00 0.38 H new ATOM 2160 N TYR B 35 16.038 3.444 -10.281 1.00 0.32 N ATOM 2161 CA TYR B 35 15.964 2.081 -10.781 1.00 0.31 C ATOM 2162 C TYR B 35 14.597 1.814 -11.399 1.00 0.29 C ATOM 2163 O TYR B 35 13.564 2.195 -10.840 1.00 0.35 O ATOM 2164 CB TYR B 35 16.217 1.077 -9.654 1.00 0.33 C ATOM 2165 CG TYR B 35 17.656 0.996 -9.194 1.00 0.30 C ATOM 2166 CD1 TYR B 35 18.671 0.640 -10.072 1.00 0.39 C ATOM 2167 CD2 TYR B 35 17.996 1.264 -7.875 1.00 0.30 C ATOM 2168 CE1 TYR B 35 19.985 0.558 -9.648 1.00 0.39 C ATOM 2169 CE2 TYR B 35 19.306 1.185 -7.446 1.00 0.30 C ATOM 2170 CZ TYR B 35 20.296 0.831 -8.334 1.00 0.30 C ATOM 2171 OH TYR B 35 21.603 0.755 -7.906 1.00 0.34 O ATOM 0 H TYR B 35 16.156 3.515 -9.270 1.00 0.32 H new ATOM 0 HA TYR B 35 16.733 1.961 -11.544 1.00 0.31 H new ATOM 0 HB2 TYR B 35 15.591 1.342 -8.802 1.00 0.33 H new ATOM 0 HB3 TYR B 35 15.900 0.089 -9.987 1.00 0.33 H new ATOM 0 HD1 TYR B 35 18.431 0.424 -11.102 1.00 0.39 H new ATOM 0 HD2 TYR B 35 17.223 1.539 -7.173 1.00 0.30 H new ATOM 0 HE1 TYR B 35 20.763 0.281 -10.344 1.00 0.39 H new ATOM 0 HE2 TYR B 35 19.553 1.400 -6.417 1.00 0.30 H new ATOM 0 HH TYR B 35 22.173 1.286 -8.500 1.00 0.34 H new ATOM 2181 N GLN B 36 14.598 1.180 -12.558 1.00 0.30 N ATOM 2182 CA GLN B 36 13.364 0.845 -13.246 1.00 0.31 C ATOM 2183 C GLN B 36 12.675 -0.302 -12.522 1.00 0.30 C ATOM 2184 O GLN B 36 13.342 -1.113 -11.886 1.00 0.35 O ATOM 2185 CB GLN B 36 13.654 0.454 -14.697 1.00 0.40 C ATOM 2186 CG GLN B 36 14.356 1.539 -15.495 1.00 0.42 C ATOM 2187 CD GLN B 36 13.616 2.860 -15.465 1.00 0.81 C ATOM 2188 OE1 GLN B 36 14.027 3.756 -14.584 1.00 1.63 O flip ATOM 2189 NE2 GLN B 36 12.686 3.077 -16.241 1.00 1.29 N flip ATOM 0 H GLN B 36 15.445 0.885 -13.045 1.00 0.30 H new ATOM 0 HA GLN B 36 12.708 1.716 -13.248 1.00 0.31 H new ATOM 0 HB2 GLN B 36 14.269 -0.446 -14.705 1.00 0.40 H new ATOM 0 HB3 GLN B 36 12.715 0.203 -15.190 1.00 0.40 H new ATOM 0 HG2 GLN B 36 15.362 1.682 -15.099 1.00 0.42 H new ATOM 0 HG3 GLN B 36 14.464 1.211 -16.529 1.00 0.42 H new ATOM 0 HE21 GLN B 36 12.399 2.359 -16.906 1.00 1.29 H new ATOM 0 HE22 GLN B 36 12.202 3.975 -16.219 1.00 1.29 H new ATOM 2198 N PRO B 37 11.339 -0.394 -12.604 1.00 0.33 N ATOM 2199 CA PRO B 37 10.584 -1.461 -11.938 1.00 0.35 C ATOM 2200 C PRO B 37 11.129 -2.847 -12.274 1.00 0.31 C ATOM 2201 O PRO B 37 11.191 -3.729 -11.418 1.00 0.30 O ATOM 2202 CB PRO B 37 9.167 -1.292 -12.492 1.00 0.43 C ATOM 2203 CG PRO B 37 9.081 0.143 -12.881 1.00 0.49 C ATOM 2204 CD PRO B 37 10.458 0.532 -13.341 1.00 0.40 C ATOM 0 HA PRO B 37 10.641 -1.388 -10.852 1.00 0.35 H new ATOM 0 HB2 PRO B 37 8.996 -1.945 -13.348 1.00 0.43 H new ATOM 0 HB3 PRO B 37 8.416 -1.545 -11.743 1.00 0.43 H new ATOM 0 HG2 PRO B 37 8.349 0.288 -13.675 1.00 0.49 H new ATOM 0 HG3 PRO B 37 8.763 0.757 -12.038 1.00 0.49 H new ATOM 0 HD2 PRO B 37 10.568 0.419 -14.419 1.00 0.40 H new ATOM 0 HD3 PRO B 37 10.681 1.572 -13.105 1.00 0.40 H new ATOM 2212 N GLN B 38 11.556 -3.013 -13.520 1.00 0.33 N ATOM 2213 CA GLN B 38 12.098 -4.281 -13.994 1.00 0.35 C ATOM 2214 C GLN B 38 13.431 -4.601 -13.322 1.00 0.34 C ATOM 2215 O GLN B 38 13.772 -5.769 -13.130 1.00 0.33 O ATOM 2216 CB GLN B 38 12.274 -4.244 -15.513 1.00 0.46 C ATOM 2217 CG GLN B 38 10.977 -4.013 -16.274 1.00 0.57 C ATOM 2218 CD GLN B 38 10.737 -2.551 -16.603 1.00 1.14 C ATOM 2219 OE1 GLN B 38 11.193 -1.653 -15.891 1.00 2.03 O ATOM 2220 NE2 GLN B 38 10.020 -2.299 -17.684 1.00 1.34 N ATOM 0 H GLN B 38 11.537 -2.278 -14.227 1.00 0.33 H new ATOM 0 HA GLN B 38 11.390 -5.067 -13.732 1.00 0.35 H new ATOM 0 HB2 GLN B 38 12.980 -3.454 -15.769 1.00 0.46 H new ATOM 0 HB3 GLN B 38 12.715 -5.185 -15.842 1.00 0.46 H new ATOM 0 HG2 GLN B 38 10.997 -4.590 -17.199 1.00 0.57 H new ATOM 0 HG3 GLN B 38 10.142 -4.389 -15.682 1.00 0.57 H new ATOM 0 HE21 GLN B 38 9.660 -3.069 -18.248 1.00 1.34 H new ATOM 0 HE22 GLN B 38 9.827 -1.335 -17.955 1.00 1.34 H new ATOM 2229 N GLU B 39 14.168 -3.558 -12.942 1.00 0.39 N ATOM 2230 CA GLU B 39 15.464 -3.725 -12.290 1.00 0.44 C ATOM 2231 C GLU B 39 15.288 -4.272 -10.880 1.00 0.44 C ATOM 2232 O GLU B 39 16.214 -4.844 -10.306 1.00 0.53 O ATOM 2233 CB GLU B 39 16.217 -2.393 -12.229 1.00 0.55 C ATOM 2234 CG GLU B 39 16.652 -1.866 -13.585 1.00 0.59 C ATOM 2235 CD GLU B 39 17.516 -0.625 -13.472 1.00 1.16 C ATOM 2236 OE1 GLU B 39 18.738 -0.763 -13.248 1.00 1.59 O ATOM 2237 OE2 GLU B 39 16.982 0.492 -13.615 1.00 1.69 O ATOM 0 H GLU B 39 13.888 -2.586 -13.075 1.00 0.39 H new ATOM 0 HA GLU B 39 16.045 -4.434 -12.880 1.00 0.44 H new ATOM 0 HB2 GLU B 39 15.581 -1.650 -11.749 1.00 0.55 H new ATOM 0 HB3 GLU B 39 17.098 -2.514 -11.598 1.00 0.55 H new ATOM 0 HG2 GLU B 39 17.204 -2.643 -14.114 1.00 0.59 H new ATOM 0 HG3 GLU B 39 15.770 -1.638 -14.183 1.00 0.59 H new ATOM 2244 N LEU B 40 14.100 -4.077 -10.323 1.00 0.41 N ATOM 2245 CA LEU B 40 13.795 -4.558 -8.982 1.00 0.44 C ATOM 2246 C LEU B 40 13.151 -5.942 -9.046 1.00 0.40 C ATOM 2247 O LEU B 40 13.348 -6.775 -8.161 1.00 0.45 O ATOM 2248 CB LEU B 40 12.855 -3.584 -8.255 1.00 0.50 C ATOM 2249 CG LEU B 40 13.500 -2.310 -7.687 1.00 0.53 C ATOM 2250 CD1 LEU B 40 14.849 -2.611 -7.053 1.00 1.10 C ATOM 2251 CD2 LEU B 40 13.636 -1.249 -8.765 1.00 1.24 C ATOM 0 H LEU B 40 13.330 -3.588 -10.780 1.00 0.41 H new ATOM 0 HA LEU B 40 14.731 -4.624 -8.427 1.00 0.44 H new ATOM 0 HB2 LEU B 40 12.067 -3.289 -8.947 1.00 0.50 H new ATOM 0 HB3 LEU B 40 12.375 -4.119 -7.435 1.00 0.50 H new ATOM 0 HG LEU B 40 12.844 -1.923 -6.907 1.00 0.53 H new ATOM 0 HD11 LEU B 40 15.280 -1.690 -6.660 1.00 1.10 H new ATOM 0 HD12 LEU B 40 14.718 -3.325 -6.240 1.00 1.10 H new ATOM 0 HD13 LEU B 40 15.517 -3.034 -7.803 1.00 1.10 H new ATOM 0 HD21 LEU B 40 14.095 -0.356 -8.341 1.00 1.24 H new ATOM 0 HD22 LEU B 40 14.261 -1.629 -9.573 1.00 1.24 H new ATOM 0 HD23 LEU B 40 12.650 -0.999 -9.156 1.00 1.24 H new ATOM 2263 N LEU B 41 12.380 -6.176 -10.103 1.00 0.34 N ATOM 2264 CA LEU B 41 11.695 -7.450 -10.292 1.00 0.34 C ATOM 2265 C LEU B 41 12.690 -8.600 -10.382 1.00 0.38 C ATOM 2266 O LEU B 41 13.489 -8.673 -11.320 1.00 0.43 O ATOM 2267 CB LEU B 41 10.834 -7.417 -11.559 1.00 0.29 C ATOM 2268 CG LEU B 41 9.728 -6.363 -11.577 1.00 0.28 C ATOM 2269 CD1 LEU B 41 9.077 -6.302 -12.947 1.00 0.30 C ATOM 2270 CD2 LEU B 41 8.690 -6.658 -10.507 1.00 0.30 C ATOM 0 H LEU B 41 12.213 -5.496 -10.845 1.00 0.34 H new ATOM 0 HA LEU B 41 11.053 -7.610 -9.426 1.00 0.34 H new ATOM 0 HB2 LEU B 41 11.486 -7.248 -12.416 1.00 0.29 H new ATOM 0 HB3 LEU B 41 10.379 -8.398 -11.693 1.00 0.29 H new ATOM 0 HG LEU B 41 10.174 -5.392 -11.362 1.00 0.28 H new ATOM 0 HD11 LEU B 41 8.291 -5.546 -12.943 1.00 0.30 H new ATOM 0 HD12 LEU B 41 9.826 -6.042 -13.695 1.00 0.30 H new ATOM 0 HD13 LEU B 41 8.645 -7.273 -13.188 1.00 0.30 H new ATOM 0 HD21 LEU B 41 7.911 -5.896 -10.536 1.00 0.30 H new ATOM 0 HD22 LEU B 41 8.247 -7.637 -10.690 1.00 0.30 H new ATOM 0 HD23 LEU B 41 9.166 -6.653 -9.527 1.00 0.30 H new ATOM 2282 N GLY B 42 12.639 -9.492 -9.403 1.00 0.43 N ATOM 2283 CA GLY B 42 13.533 -10.633 -9.389 1.00 0.51 C ATOM 2284 C GLY B 42 14.778 -10.395 -8.562 1.00 0.49 C ATOM 2285 O GLY B 42 15.575 -11.310 -8.349 1.00 0.53 O ATOM 0 H GLY B 42 11.992 -9.446 -8.616 1.00 0.43 H new ATOM 0 HA2 GLY B 42 13.002 -11.500 -8.996 1.00 0.51 H new ATOM 0 HA3 GLY B 42 13.823 -10.874 -10.412 1.00 0.51 H new ATOM 2289 N LYS B 43 14.943 -9.171 -8.090 1.00 0.46 N ATOM 2290 CA LYS B 43 16.098 -8.812 -7.286 1.00 0.47 C ATOM 2291 C LYS B 43 15.695 -8.625 -5.833 1.00 0.40 C ATOM 2292 O LYS B 43 14.536 -8.336 -5.535 1.00 0.50 O ATOM 2293 CB LYS B 43 16.740 -7.527 -7.817 1.00 0.57 C ATOM 2294 CG LYS B 43 17.359 -7.673 -9.200 1.00 0.73 C ATOM 2295 CD LYS B 43 18.793 -8.179 -9.128 1.00 0.81 C ATOM 2296 CE LYS B 43 18.850 -9.685 -8.939 1.00 1.70 C ATOM 2297 NZ LYS B 43 20.191 -10.137 -8.483 1.00 2.45 N ATOM 0 H LYS B 43 14.288 -8.406 -8.251 1.00 0.46 H new ATOM 0 HA LYS B 43 16.825 -9.622 -7.349 1.00 0.47 H new ATOM 0 HB2 LYS B 43 15.985 -6.741 -7.849 1.00 0.57 H new ATOM 0 HB3 LYS B 43 17.510 -7.201 -7.118 1.00 0.57 H new ATOM 0 HG2 LYS B 43 16.760 -8.362 -9.795 1.00 0.73 H new ATOM 0 HG3 LYS B 43 17.339 -6.710 -9.711 1.00 0.73 H new ATOM 0 HD2 LYS B 43 19.321 -7.907 -10.042 1.00 0.81 H new ATOM 0 HD3 LYS B 43 19.311 -7.689 -8.303 1.00 0.81 H new ATOM 0 HE2 LYS B 43 18.098 -9.988 -8.211 1.00 1.70 H new ATOM 0 HE3 LYS B 43 18.601 -10.178 -9.878 1.00 1.70 H new ATOM 0 HZ1 LYS B 43 20.089 -10.993 -7.901 1.00 2.45 H new ATOM 0 HZ2 LYS B 43 20.786 -10.349 -9.310 1.00 2.45 H new ATOM 0 HZ3 LYS B 43 20.637 -9.386 -7.919 1.00 2.45 H new ATOM 2311 N ASN B 44 16.648 -8.808 -4.935 1.00 0.32 N ATOM 2312 CA ASN B 44 16.397 -8.648 -3.513 1.00 0.29 C ATOM 2313 C ASN B 44 16.609 -7.200 -3.106 1.00 0.28 C ATOM 2314 O ASN B 44 17.592 -6.577 -3.501 1.00 0.30 O ATOM 2315 CB ASN B 44 17.334 -9.537 -2.686 1.00 0.30 C ATOM 2316 CG ASN B 44 17.139 -11.018 -2.937 1.00 0.91 C ATOM 2317 OD1 ASN B 44 17.712 -11.578 -3.869 1.00 1.92 O ATOM 2318 ND2 ASN B 44 16.355 -11.671 -2.094 1.00 0.70 N ATOM 0 H ASN B 44 17.606 -9.069 -5.167 1.00 0.32 H new ATOM 0 HA ASN B 44 15.365 -8.942 -3.321 1.00 0.29 H new ATOM 0 HB2 ASN B 44 18.367 -9.271 -2.911 1.00 0.30 H new ATOM 0 HB3 ASN B 44 17.176 -9.332 -1.627 1.00 0.30 H new ATOM 0 HD21 ASN B 44 16.209 -12.674 -2.206 1.00 0.70 H new ATOM 0 HD22 ASN B 44 15.896 -11.171 -1.332 1.00 0.70 H new ATOM 2325 N ILE B 45 15.692 -6.671 -2.307 1.00 0.25 N ATOM 2326 CA ILE B 45 15.790 -5.297 -1.826 1.00 0.25 C ATOM 2327 C ILE B 45 17.074 -5.102 -1.010 1.00 0.24 C ATOM 2328 O ILE B 45 17.592 -3.994 -0.887 1.00 0.31 O ATOM 2329 CB ILE B 45 14.554 -4.922 -0.971 1.00 0.25 C ATOM 2330 CG1 ILE B 45 14.579 -3.434 -0.603 1.00 0.27 C ATOM 2331 CG2 ILE B 45 14.483 -5.789 0.279 1.00 0.24 C ATOM 2332 CD1 ILE B 45 13.300 -2.941 0.038 1.00 0.28 C ATOM 0 H ILE B 45 14.868 -7.174 -1.977 1.00 0.25 H new ATOM 0 HA ILE B 45 15.822 -4.638 -2.694 1.00 0.25 H new ATOM 0 HB ILE B 45 13.659 -5.108 -1.564 1.00 0.25 H new ATOM 0 HG12 ILE B 45 15.410 -3.252 0.079 1.00 0.27 H new ATOM 0 HG13 ILE B 45 14.772 -2.850 -1.503 1.00 0.27 H new ATOM 0 HG21 ILE B 45 13.608 -5.510 0.866 1.00 0.24 H new ATOM 0 HG22 ILE B 45 14.407 -6.837 -0.009 1.00 0.24 H new ATOM 0 HG23 ILE B 45 15.383 -5.641 0.876 1.00 0.24 H new ATOM 0 HD11 ILE B 45 13.394 -1.880 0.269 1.00 0.28 H new ATOM 0 HD12 ILE B 45 12.468 -3.090 -0.650 1.00 0.28 H new ATOM 0 HD13 ILE B 45 13.115 -3.498 0.957 1.00 0.28 H new ATOM 2344 N VAL B 46 17.599 -6.204 -0.483 1.00 0.21 N ATOM 2345 CA VAL B 46 18.814 -6.172 0.320 1.00 0.23 C ATOM 2346 C VAL B 46 20.061 -6.001 -0.561 1.00 0.23 C ATOM 2347 O VAL B 46 21.133 -5.638 -0.074 1.00 0.29 O ATOM 2348 CB VAL B 46 18.937 -7.449 1.186 1.00 0.26 C ATOM 2349 CG1 VAL B 46 19.314 -8.653 0.340 1.00 1.08 C ATOM 2350 CG2 VAL B 46 19.934 -7.247 2.315 1.00 1.15 C ATOM 0 H VAL B 46 17.198 -7.135 -0.599 1.00 0.21 H new ATOM 0 HA VAL B 46 18.747 -5.309 0.983 1.00 0.23 H new ATOM 0 HB VAL B 46 17.960 -7.645 1.628 1.00 0.26 H new ATOM 0 HG11 VAL B 46 19.393 -9.534 0.976 1.00 1.08 H new ATOM 0 HG12 VAL B 46 18.548 -8.820 -0.417 1.00 1.08 H new ATOM 0 HG13 VAL B 46 20.272 -8.470 -0.147 1.00 1.08 H new ATOM 0 HG21 VAL B 46 20.002 -8.159 2.908 1.00 1.15 H new ATOM 0 HG22 VAL B 46 20.913 -7.012 1.898 1.00 1.15 H new ATOM 0 HG23 VAL B 46 19.603 -6.425 2.950 1.00 1.15 H new ATOM 2360 N GLU B 47 19.910 -6.236 -1.863 1.00 0.23 N ATOM 2361 CA GLU B 47 21.025 -6.096 -2.796 1.00 0.27 C ATOM 2362 C GLU B 47 21.366 -4.624 -2.988 1.00 0.25 C ATOM 2363 O GLU B 47 22.530 -4.250 -3.108 1.00 0.35 O ATOM 2364 CB GLU B 47 20.684 -6.727 -4.149 1.00 0.34 C ATOM 2365 CG GLU B 47 20.534 -8.241 -4.105 1.00 0.42 C ATOM 2366 CD GLU B 47 20.234 -8.836 -5.467 1.00 1.07 C ATOM 2367 OE1 GLU B 47 21.087 -8.719 -6.375 1.00 1.06 O ATOM 2368 OE2 GLU B 47 19.152 -9.430 -5.642 1.00 1.96 O ATOM 0 H GLU B 47 19.031 -6.523 -2.294 1.00 0.23 H new ATOM 0 HA GLU B 47 21.887 -6.615 -2.377 1.00 0.27 H new ATOM 0 HB2 GLU B 47 19.756 -6.291 -4.518 1.00 0.34 H new ATOM 0 HB3 GLU B 47 21.464 -6.470 -4.865 1.00 0.34 H new ATOM 0 HG2 GLU B 47 21.451 -8.682 -3.714 1.00 0.42 H new ATOM 0 HG3 GLU B 47 19.733 -8.503 -3.413 1.00 0.42 H new ATOM 2375 N PHE B 48 20.336 -3.791 -2.995 1.00 0.22 N ATOM 2376 CA PHE B 48 20.515 -2.358 -3.168 1.00 0.26 C ATOM 2377 C PHE B 48 20.443 -1.658 -1.818 1.00 0.26 C ATOM 2378 O PHE B 48 20.201 -0.454 -1.738 1.00 0.33 O ATOM 2379 CB PHE B 48 19.445 -1.790 -4.106 1.00 0.32 C ATOM 2380 CG PHE B 48 19.137 -2.667 -5.285 1.00 0.35 C ATOM 2381 CD1 PHE B 48 19.885 -2.580 -6.446 1.00 0.40 C ATOM 2382 CD2 PHE B 48 18.096 -3.579 -5.230 1.00 0.39 C ATOM 2383 CE1 PHE B 48 19.601 -3.386 -7.531 1.00 0.45 C ATOM 2384 CE2 PHE B 48 17.808 -4.388 -6.311 1.00 0.45 C ATOM 2385 CZ PHE B 48 18.561 -4.291 -7.464 1.00 0.46 C ATOM 0 H PHE B 48 19.366 -4.084 -2.883 1.00 0.22 H new ATOM 0 HA PHE B 48 21.495 -2.183 -3.612 1.00 0.26 H new ATOM 0 HB2 PHE B 48 18.529 -1.627 -3.539 1.00 0.32 H new ATOM 0 HB3 PHE B 48 19.774 -0.816 -4.467 1.00 0.32 H new ATOM 0 HD1 PHE B 48 20.700 -1.874 -6.504 1.00 0.40 H new ATOM 0 HD2 PHE B 48 17.503 -3.658 -4.331 1.00 0.39 H new ATOM 0 HE1 PHE B 48 20.192 -3.308 -8.431 1.00 0.45 H new ATOM 0 HE2 PHE B 48 16.994 -5.096 -6.255 1.00 0.45 H new ATOM 0 HZ PHE B 48 18.337 -4.922 -8.312 1.00 0.46 H new ATOM 2395 N CYS B 49 20.651 -2.424 -0.759 1.00 0.23 N ATOM 2396 CA CYS B 49 20.609 -1.889 0.588 1.00 0.28 C ATOM 2397 C CYS B 49 22.019 -1.660 1.113 1.00 0.30 C ATOM 2398 O CYS B 49 22.937 -2.427 0.816 1.00 0.38 O ATOM 2399 CB CYS B 49 19.847 -2.841 1.514 1.00 0.31 C ATOM 2400 SG CYS B 49 19.702 -2.264 3.222 1.00 1.17 S ATOM 0 H CYS B 49 20.851 -3.423 -0.809 1.00 0.23 H new ATOM 0 HA CYS B 49 20.088 -0.932 0.564 1.00 0.28 H new ATOM 0 HB2 CYS B 49 18.847 -2.998 1.110 1.00 0.31 H new ATOM 0 HB3 CYS B 49 20.348 -3.809 1.512 1.00 0.31 H new ATOM 0 HG CYS B 49 18.927 -1.221 3.263 1.00 1.17 H new ATOM 2406 N HIS B 50 22.180 -0.584 1.872 1.00 0.32 N ATOM 2407 CA HIS B 50 23.464 -0.229 2.461 1.00 0.38 C ATOM 2408 C HIS B 50 23.964 -1.375 3.338 1.00 0.32 C ATOM 2409 O HIS B 50 23.232 -1.849 4.195 1.00 0.31 O ATOM 2410 CB HIS B 50 23.296 1.051 3.288 1.00 0.54 C ATOM 2411 CG HIS B 50 24.574 1.728 3.667 1.00 0.41 C ATOM 2412 ND1 HIS B 50 24.799 2.241 4.924 1.00 1.06 N ATOM 2413 CD2 HIS B 50 25.684 2.005 2.946 1.00 1.18 C ATOM 2414 CE1 HIS B 50 25.992 2.806 4.960 1.00 0.87 C ATOM 2415 NE2 HIS B 50 26.546 2.675 3.772 1.00 1.08 N ATOM 0 H HIS B 50 21.426 0.066 2.096 1.00 0.32 H new ATOM 0 HA HIS B 50 24.199 -0.053 1.676 1.00 0.38 H new ATOM 0 HB2 HIS B 50 22.683 1.753 2.723 1.00 0.54 H new ATOM 0 HB3 HIS B 50 22.746 0.809 4.198 1.00 0.54 H new ATOM 0 HD1 HIS B 50 24.146 2.192 5.706 1.00 1.06 H new ATOM 0 HD2 HIS B 50 25.858 1.746 1.912 1.00 1.18 H new ATOM 0 HE1 HIS B 50 26.437 3.292 5.816 1.00 0.87 H new ATOM 2424 N PRO B 51 25.207 -1.843 3.121 1.00 0.35 N ATOM 2425 CA PRO B 51 25.795 -2.955 3.888 1.00 0.38 C ATOM 2426 C PRO B 51 25.580 -2.840 5.397 1.00 0.36 C ATOM 2427 O PRO B 51 25.193 -3.808 6.053 1.00 0.46 O ATOM 2428 CB PRO B 51 27.281 -2.856 3.556 1.00 0.47 C ATOM 2429 CG PRO B 51 27.319 -2.274 2.188 1.00 0.72 C ATOM 2430 CD PRO B 51 26.142 -1.338 2.096 1.00 0.44 C ATOM 0 HA PRO B 51 25.333 -3.906 3.623 1.00 0.38 H new ATOM 0 HB2 PRO B 51 27.806 -2.223 4.271 1.00 0.47 H new ATOM 0 HB3 PRO B 51 27.760 -3.835 3.584 1.00 0.47 H new ATOM 0 HG2 PRO B 51 28.254 -1.741 2.018 1.00 0.72 H new ATOM 0 HG3 PRO B 51 27.255 -3.055 1.431 1.00 0.72 H new ATOM 0 HD2 PRO B 51 26.435 -0.307 2.295 1.00 0.44 H new ATOM 0 HD3 PRO B 51 25.694 -1.356 1.103 1.00 0.44 H new ATOM 2438 N GLU B 52 25.818 -1.655 5.939 1.00 0.37 N ATOM 2439 CA GLU B 52 25.661 -1.412 7.370 1.00 0.38 C ATOM 2440 C GLU B 52 24.191 -1.279 7.777 1.00 0.37 C ATOM 2441 O GLU B 52 23.882 -1.152 8.964 1.00 0.40 O ATOM 2442 CB GLU B 52 26.423 -0.148 7.773 1.00 0.45 C ATOM 2443 CG GLU B 52 27.908 -0.198 7.440 1.00 0.78 C ATOM 2444 CD GLU B 52 28.240 0.467 6.117 1.00 1.36 C ATOM 2445 OE1 GLU B 52 27.667 0.070 5.079 1.00 2.04 O ATOM 2446 OE2 GLU B 52 29.076 1.395 6.109 1.00 1.70 O ATOM 0 H GLU B 52 26.123 -0.840 5.407 1.00 0.37 H new ATOM 0 HA GLU B 52 26.071 -2.276 7.892 1.00 0.38 H new ATOM 0 HB2 GLU B 52 25.976 0.711 7.272 1.00 0.45 H new ATOM 0 HB3 GLU B 52 26.305 0.011 8.845 1.00 0.45 H new ATOM 0 HG2 GLU B 52 28.470 0.289 8.237 1.00 0.78 H new ATOM 0 HG3 GLU B 52 28.233 -1.238 7.410 1.00 0.78 H new ATOM 2453 N ASP B 53 23.288 -1.317 6.805 1.00 0.36 N ATOM 2454 CA ASP B 53 21.856 -1.189 7.077 1.00 0.37 C ATOM 2455 C ASP B 53 21.094 -2.415 6.581 1.00 0.38 C ATOM 2456 O ASP B 53 19.871 -2.494 6.715 1.00 0.42 O ATOM 2457 CB ASP B 53 21.287 0.065 6.401 1.00 0.47 C ATOM 2458 CG ASP B 53 21.774 1.352 7.034 1.00 0.48 C ATOM 2459 OD1 ASP B 53 21.257 1.723 8.107 1.00 1.09 O ATOM 2460 OD2 ASP B 53 22.667 2.005 6.451 1.00 1.10 O ATOM 0 H ASP B 53 23.519 -1.436 5.819 1.00 0.36 H new ATOM 0 HA ASP B 53 21.733 -1.106 8.157 1.00 0.37 H new ATOM 0 HB2 ASP B 53 21.562 0.059 5.346 1.00 0.47 H new ATOM 0 HB3 ASP B 53 20.198 0.033 6.447 1.00 0.47 H new ATOM 2465 N GLN B 54 21.825 -3.371 6.018 1.00 0.41 N ATOM 2466 CA GLN B 54 21.226 -4.591 5.480 1.00 0.47 C ATOM 2467 C GLN B 54 20.576 -5.428 6.574 1.00 0.50 C ATOM 2468 O GLN B 54 19.489 -5.977 6.384 1.00 0.53 O ATOM 2469 CB GLN B 54 22.271 -5.412 4.730 1.00 0.56 C ATOM 2470 CG GLN B 54 22.475 -4.948 3.298 1.00 0.65 C ATOM 2471 CD GLN B 54 23.655 -5.618 2.626 1.00 0.69 C ATOM 2472 OE1 GLN B 54 24.020 -6.748 2.962 1.00 1.10 O ATOM 2473 NE2 GLN B 54 24.257 -4.928 1.672 1.00 0.80 N ATOM 0 H GLN B 54 22.839 -3.325 5.921 1.00 0.41 H new ATOM 0 HA GLN B 54 20.443 -4.294 4.782 1.00 0.47 H new ATOM 0 HB2 GLN B 54 23.220 -5.356 5.263 1.00 0.56 H new ATOM 0 HB3 GLN B 54 21.969 -6.459 4.727 1.00 0.56 H new ATOM 0 HG2 GLN B 54 21.572 -5.151 2.723 1.00 0.65 H new ATOM 0 HG3 GLN B 54 22.622 -3.868 3.288 1.00 0.65 H new ATOM 0 HE21 GLN B 54 23.921 -3.997 1.427 1.00 0.80 H new ATOM 0 HE22 GLN B 54 25.057 -5.327 1.181 1.00 0.80 H new ATOM 2482 N GLN B 55 21.236 -5.516 7.721 1.00 0.54 N ATOM 2483 CA GLN B 55 20.702 -6.273 8.839 1.00 0.61 C ATOM 2484 C GLN B 55 19.456 -5.577 9.370 1.00 0.52 C ATOM 2485 O GLN B 55 18.473 -6.223 9.732 1.00 0.52 O ATOM 2486 CB GLN B 55 21.754 -6.422 9.942 1.00 0.76 C ATOM 2487 CG GLN B 55 21.236 -7.114 11.192 1.00 1.33 C ATOM 2488 CD GLN B 55 20.641 -8.479 10.901 1.00 1.73 C ATOM 2489 OE1 GLN B 55 21.095 -9.190 10.005 1.00 2.72 O ATOM 2490 NE2 GLN B 55 19.611 -8.849 11.643 1.00 1.51 N ATOM 0 H GLN B 55 22.138 -5.074 7.899 1.00 0.54 H new ATOM 0 HA GLN B 55 20.434 -7.273 8.500 1.00 0.61 H new ATOM 0 HB2 GLN B 55 22.601 -6.985 9.550 1.00 0.76 H new ATOM 0 HB3 GLN B 55 22.126 -5.434 10.212 1.00 0.76 H new ATOM 0 HG2 GLN B 55 22.052 -7.223 11.907 1.00 1.33 H new ATOM 0 HG3 GLN B 55 20.480 -6.486 11.664 1.00 1.33 H new ATOM 0 HE21 GLN B 55 19.263 -8.232 12.377 1.00 1.51 H new ATOM 0 HE22 GLN B 55 19.164 -9.752 11.482 1.00 1.51 H new ATOM 2499 N LEU B 56 19.508 -4.251 9.395 1.00 0.51 N ATOM 2500 CA LEU B 56 18.389 -3.442 9.850 1.00 0.51 C ATOM 2501 C LEU B 56 17.147 -3.731 9.009 1.00 0.42 C ATOM 2502 O LEU B 56 16.047 -3.899 9.541 1.00 0.42 O ATOM 2503 CB LEU B 56 18.753 -1.957 9.768 1.00 0.60 C ATOM 2504 CG LEU B 56 17.593 -0.980 9.979 1.00 0.63 C ATOM 2505 CD1 LEU B 56 17.009 -1.123 11.376 1.00 1.29 C ATOM 2506 CD2 LEU B 56 18.059 0.446 9.740 1.00 1.42 C ATOM 0 H LEU B 56 20.322 -3.711 9.102 1.00 0.51 H new ATOM 0 HA LEU B 56 18.169 -3.696 10.887 1.00 0.51 H new ATOM 0 HB2 LEU B 56 19.521 -1.748 10.513 1.00 0.60 H new ATOM 0 HB3 LEU B 56 19.195 -1.763 8.791 1.00 0.60 H new ATOM 0 HG LEU B 56 16.809 -1.218 9.260 1.00 0.63 H new ATOM 0 HD11 LEU B 56 16.187 -0.418 11.501 1.00 1.29 H new ATOM 0 HD12 LEU B 56 16.640 -2.139 11.514 1.00 1.29 H new ATOM 0 HD13 LEU B 56 17.781 -0.914 12.116 1.00 1.29 H new ATOM 0 HD21 LEU B 56 17.226 1.132 9.893 1.00 1.42 H new ATOM 0 HD22 LEU B 56 18.861 0.688 10.437 1.00 1.42 H new ATOM 0 HD23 LEU B 56 18.425 0.543 8.718 1.00 1.42 H new ATOM 2518 N LEU B 57 17.335 -3.797 7.696 1.00 0.40 N ATOM 2519 CA LEU B 57 16.242 -4.077 6.778 1.00 0.39 C ATOM 2520 C LEU B 57 15.647 -5.451 7.056 1.00 0.37 C ATOM 2521 O LEU B 57 14.435 -5.591 7.230 1.00 0.39 O ATOM 2522 CB LEU B 57 16.730 -4.017 5.328 1.00 0.48 C ATOM 2523 CG LEU B 57 16.143 -2.885 4.478 1.00 0.60 C ATOM 2524 CD1 LEU B 57 16.216 -3.243 3.002 1.00 1.01 C ATOM 2525 CD2 LEU B 57 14.705 -2.589 4.884 1.00 1.15 C ATOM 0 H LEU B 57 18.239 -3.659 7.244 1.00 0.40 H new ATOM 0 HA LEU B 57 15.474 -3.319 6.929 1.00 0.39 H new ATOM 0 HB2 LEU B 57 17.816 -3.918 5.333 1.00 0.48 H new ATOM 0 HB3 LEU B 57 16.498 -4.967 4.846 1.00 0.48 H new ATOM 0 HG LEU B 57 16.735 -1.986 4.650 1.00 0.60 H new ATOM 0 HD11 LEU B 57 15.796 -2.430 2.409 1.00 1.01 H new ATOM 0 HD12 LEU B 57 17.256 -3.400 2.717 1.00 1.01 H new ATOM 0 HD13 LEU B 57 15.648 -4.156 2.820 1.00 1.01 H new ATOM 0 HD21 LEU B 57 14.311 -1.782 4.266 1.00 1.15 H new ATOM 0 HD22 LEU B 57 14.096 -3.483 4.745 1.00 1.15 H new ATOM 0 HD23 LEU B 57 14.677 -2.290 5.932 1.00 1.15 H new ATOM 2537 N ARG B 58 16.514 -6.453 7.116 1.00 0.42 N ATOM 2538 CA ARG B 58 16.095 -7.826 7.361 1.00 0.50 C ATOM 2539 C ARG B 58 15.350 -7.949 8.686 1.00 0.44 C ATOM 2540 O ARG B 58 14.283 -8.562 8.751 1.00 0.44 O ATOM 2541 CB ARG B 58 17.309 -8.752 7.348 1.00 0.65 C ATOM 2542 CG ARG B 58 16.961 -10.214 7.550 1.00 1.08 C ATOM 2543 CD ARG B 58 18.184 -11.096 7.395 1.00 1.12 C ATOM 2544 NE ARG B 58 17.922 -12.473 7.803 1.00 1.90 N ATOM 2545 CZ ARG B 58 18.865 -13.306 8.242 1.00 2.21 C ATOM 2546 NH1 ARG B 58 20.131 -12.910 8.290 1.00 1.97 N ATOM 2547 NH2 ARG B 58 18.545 -14.534 8.633 1.00 3.01 N ATOM 0 H ARG B 58 17.521 -6.338 6.997 1.00 0.42 H new ATOM 0 HA ARG B 58 15.411 -8.120 6.565 1.00 0.50 H new ATOM 0 HB2 ARG B 58 17.831 -8.640 6.398 1.00 0.65 H new ATOM 0 HB3 ARG B 58 18.001 -8.441 8.130 1.00 0.65 H new ATOM 0 HG2 ARG B 58 16.532 -10.354 8.542 1.00 1.08 H new ATOM 0 HG3 ARG B 58 16.201 -10.512 6.828 1.00 1.08 H new ATOM 0 HD2 ARG B 58 18.511 -11.082 6.355 1.00 1.12 H new ATOM 0 HD3 ARG B 58 19.001 -10.691 7.992 1.00 1.12 H new ATOM 0 HE ARG B 58 16.963 -12.817 7.749 1.00 1.90 H new ATOM 0 HH11 ARG B 58 20.382 -11.968 7.991 1.00 1.97 H new ATOM 0 HH12 ARG B 58 20.852 -13.548 8.626 1.00 1.97 H new ATOM 0 HH21 ARG B 58 17.574 -14.843 8.598 1.00 3.01 H new ATOM 0 HH22 ARG B 58 19.270 -15.168 8.968 1.00 3.01 H new ATOM 2561 N ASP B 59 15.904 -7.347 9.732 1.00 0.42 N ATOM 2562 CA ASP B 59 15.291 -7.392 11.055 1.00 0.43 C ATOM 2563 C ASP B 59 13.895 -6.784 11.023 1.00 0.37 C ATOM 2564 O ASP B 59 12.952 -7.348 11.573 1.00 0.39 O ATOM 2565 CB ASP B 59 16.160 -6.653 12.077 1.00 0.49 C ATOM 2566 CG ASP B 59 15.572 -6.686 13.475 1.00 0.58 C ATOM 2567 OD1 ASP B 59 15.569 -7.767 14.102 1.00 0.76 O ATOM 2568 OD2 ASP B 59 15.131 -5.626 13.962 1.00 0.78 O ATOM 0 H ASP B 59 16.777 -6.822 9.690 1.00 0.42 H new ATOM 0 HA ASP B 59 15.210 -8.437 11.354 1.00 0.43 H new ATOM 0 HB2 ASP B 59 17.154 -7.100 12.094 1.00 0.49 H new ATOM 0 HB3 ASP B 59 16.282 -5.617 11.763 1.00 0.49 H new ATOM 2573 N SER B 60 13.768 -5.646 10.351 1.00 0.33 N ATOM 2574 CA SER B 60 12.487 -4.959 10.238 1.00 0.33 C ATOM 2575 C SER B 60 11.463 -5.820 9.497 1.00 0.28 C ATOM 2576 O SER B 60 10.280 -5.837 9.848 1.00 0.29 O ATOM 2577 CB SER B 60 12.671 -3.618 9.524 1.00 0.39 C ATOM 2578 OG SER B 60 13.642 -2.826 10.188 1.00 1.41 O ATOM 0 H SER B 60 14.539 -5.178 9.875 1.00 0.33 H new ATOM 0 HA SER B 60 12.108 -4.777 11.244 1.00 0.33 H new ATOM 0 HB2 SER B 60 12.978 -3.789 8.492 1.00 0.39 H new ATOM 0 HB3 SER B 60 11.721 -3.085 9.490 1.00 0.39 H new ATOM 0 HG SER B 60 14.537 -3.172 9.990 1.00 1.41 H new ATOM 2584 N PHE B 61 11.921 -6.544 8.481 1.00 0.30 N ATOM 2585 CA PHE B 61 11.038 -7.414 7.714 1.00 0.32 C ATOM 2586 C PHE B 61 10.527 -8.546 8.595 1.00 0.33 C ATOM 2587 O PHE B 61 9.352 -8.898 8.552 1.00 0.34 O ATOM 2588 CB PHE B 61 11.758 -7.980 6.487 1.00 0.39 C ATOM 2589 CG PHE B 61 12.023 -6.953 5.424 1.00 0.43 C ATOM 2590 CD1 PHE B 61 11.150 -5.893 5.233 1.00 0.62 C ATOM 2591 CD2 PHE B 61 13.147 -7.044 4.620 1.00 0.59 C ATOM 2592 CE1 PHE B 61 11.393 -4.945 4.260 1.00 0.70 C ATOM 2593 CE2 PHE B 61 13.395 -6.098 3.646 1.00 0.65 C ATOM 2594 CZ PHE B 61 12.518 -5.046 3.466 1.00 0.60 C ATOM 0 H PHE B 61 12.893 -6.546 8.171 1.00 0.30 H new ATOM 0 HA PHE B 61 10.190 -6.823 7.367 1.00 0.32 H new ATOM 0 HB2 PHE B 61 12.705 -8.419 6.801 1.00 0.39 H new ATOM 0 HB3 PHE B 61 11.158 -8.785 6.062 1.00 0.39 H new ATOM 0 HD1 PHE B 61 10.270 -5.808 5.853 1.00 0.62 H new ATOM 0 HD2 PHE B 61 13.837 -7.864 4.757 1.00 0.59 H new ATOM 0 HE1 PHE B 61 10.704 -4.125 4.120 1.00 0.70 H new ATOM 0 HE2 PHE B 61 14.275 -6.180 3.025 1.00 0.65 H new ATOM 0 HZ PHE B 61 12.712 -4.304 2.706 1.00 0.60 H new ATOM 2604 N GLN B 62 11.418 -9.097 9.409 1.00 0.35 N ATOM 2605 CA GLN B 62 11.056 -10.177 10.314 1.00 0.41 C ATOM 2606 C GLN B 62 10.109 -9.663 11.395 1.00 0.37 C ATOM 2607 O GLN B 62 9.208 -10.380 11.838 1.00 0.40 O ATOM 2608 CB GLN B 62 12.311 -10.786 10.940 1.00 0.52 C ATOM 2609 CG GLN B 62 13.200 -11.494 9.929 1.00 0.79 C ATOM 2610 CD GLN B 62 12.608 -12.801 9.436 1.00 1.44 C ATOM 2611 OE1 GLN B 62 11.997 -13.558 10.334 1.00 2.08 O flip ATOM 2612 NE2 GLN B 62 12.719 -13.139 8.256 1.00 2.12 N flip ATOM 0 H GLN B 62 12.396 -8.813 9.460 1.00 0.35 H new ATOM 0 HA GLN B 62 10.543 -10.955 9.748 1.00 0.41 H new ATOM 0 HB2 GLN B 62 12.884 -9.999 11.430 1.00 0.52 H new ATOM 0 HB3 GLN B 62 12.016 -11.494 11.714 1.00 0.52 H new ATOM 0 HG2 GLN B 62 13.371 -10.834 9.078 1.00 0.79 H new ATOM 0 HG3 GLN B 62 14.172 -11.689 10.381 1.00 0.79 H new ATOM 0 HE21 GLN B 62 13.197 -12.528 7.593 1.00 2.12 H new ATOM 0 HE22 GLN B 62 12.333 -14.029 7.942 1.00 2.12 H new ATOM 2621 N GLN B 63 10.314 -8.409 11.802 1.00 0.34 N ATOM 2622 CA GLN B 63 9.475 -7.777 12.818 1.00 0.36 C ATOM 2623 C GLN B 63 8.039 -7.639 12.322 1.00 0.29 C ATOM 2624 O GLN B 63 7.095 -7.993 13.027 1.00 0.32 O ATOM 2625 CB GLN B 63 10.008 -6.389 13.190 1.00 0.44 C ATOM 2626 CG GLN B 63 11.275 -6.399 14.027 1.00 0.66 C ATOM 2627 CD GLN B 63 11.469 -5.102 14.790 1.00 0.76 C ATOM 2628 OE1 GLN B 63 10.502 -4.479 15.239 1.00 1.33 O ATOM 2629 NE2 GLN B 63 12.711 -4.676 14.933 1.00 1.23 N ATOM 0 H GLN B 63 11.057 -7.810 11.441 1.00 0.34 H new ATOM 0 HA GLN B 63 9.497 -8.417 13.700 1.00 0.36 H new ATOM 0 HB2 GLN B 63 10.199 -5.830 12.274 1.00 0.44 H new ATOM 0 HB3 GLN B 63 9.233 -5.851 13.736 1.00 0.44 H new ATOM 0 HG2 GLN B 63 11.237 -7.230 14.731 1.00 0.66 H new ATOM 0 HG3 GLN B 63 12.135 -6.569 13.379 1.00 0.66 H new ATOM 0 HE21 GLN B 63 13.484 -5.219 14.548 1.00 1.23 H new ATOM 0 HE22 GLN B 63 12.897 -3.804 15.429 1.00 1.23 H new ATOM 2638 N VAL B 64 7.882 -7.135 11.099 1.00 0.26 N ATOM 2639 CA VAL B 64 6.559 -6.939 10.518 1.00 0.26 C ATOM 2640 C VAL B 64 5.831 -8.275 10.349 1.00 0.26 C ATOM 2641 O VAL B 64 4.599 -8.332 10.405 1.00 0.28 O ATOM 2642 CB VAL B 64 6.628 -6.178 9.167 1.00 0.28 C ATOM 2643 CG1 VAL B 64 6.890 -7.112 7.993 1.00 0.31 C ATOM 2644 CG2 VAL B 64 5.351 -5.387 8.942 1.00 0.30 C ATOM 0 H VAL B 64 8.654 -6.856 10.494 1.00 0.26 H new ATOM 0 HA VAL B 64 5.990 -6.322 11.213 1.00 0.26 H new ATOM 0 HB VAL B 64 7.471 -5.489 9.224 1.00 0.28 H new ATOM 0 HG11 VAL B 64 6.930 -6.534 7.070 1.00 0.31 H new ATOM 0 HG12 VAL B 64 7.840 -7.625 8.141 1.00 0.31 H new ATOM 0 HG13 VAL B 64 6.088 -7.847 7.927 1.00 0.31 H new ATOM 0 HG21 VAL B 64 5.413 -4.858 7.991 1.00 0.30 H new ATOM 0 HG22 VAL B 64 4.500 -6.068 8.924 1.00 0.30 H new ATOM 0 HG23 VAL B 64 5.222 -4.667 9.750 1.00 0.30 H new ATOM 2654 N VAL B 65 6.597 -9.349 10.164 1.00 0.29 N ATOM 2655 CA VAL B 65 6.025 -10.682 10.013 1.00 0.33 C ATOM 2656 C VAL B 65 5.442 -11.147 11.348 1.00 0.37 C ATOM 2657 O VAL B 65 4.450 -11.874 11.390 1.00 0.45 O ATOM 2658 CB VAL B 65 7.080 -11.697 9.501 1.00 0.40 C ATOM 2659 CG1 VAL B 65 6.559 -13.127 9.566 1.00 0.48 C ATOM 2660 CG2 VAL B 65 7.496 -11.351 8.078 1.00 0.39 C ATOM 0 H VAL B 65 7.615 -9.320 10.115 1.00 0.29 H new ATOM 0 HA VAL B 65 5.230 -10.631 9.269 1.00 0.33 H new ATOM 0 HB VAL B 65 7.950 -11.631 10.154 1.00 0.40 H new ATOM 0 HG11 VAL B 65 7.325 -13.810 9.199 1.00 0.48 H new ATOM 0 HG12 VAL B 65 6.313 -13.378 10.598 1.00 0.48 H new ATOM 0 HG13 VAL B 65 5.666 -13.217 8.947 1.00 0.48 H new ATOM 0 HG21 VAL B 65 8.237 -12.071 7.730 1.00 0.39 H new ATOM 0 HG22 VAL B 65 6.623 -11.384 7.426 1.00 0.39 H new ATOM 0 HG23 VAL B 65 7.926 -10.350 8.058 1.00 0.39 H new ATOM 2670 N LYS B 66 6.062 -10.708 12.436 1.00 0.37 N ATOM 2671 CA LYS B 66 5.597 -11.051 13.774 1.00 0.45 C ATOM 2672 C LYS B 66 4.413 -10.170 14.158 1.00 0.41 C ATOM 2673 O LYS B 66 3.559 -10.566 14.953 1.00 0.49 O ATOM 2674 CB LYS B 66 6.727 -10.890 14.795 1.00 0.57 C ATOM 2675 CG LYS B 66 7.661 -12.086 14.858 1.00 0.74 C ATOM 2676 CD LYS B 66 9.003 -11.718 15.468 1.00 0.67 C ATOM 2677 CE LYS B 66 8.876 -11.350 16.935 1.00 1.44 C ATOM 2678 NZ LYS B 66 10.200 -11.088 17.557 1.00 2.19 N ATOM 0 H LYS B 66 6.890 -10.112 12.418 1.00 0.37 H new ATOM 0 HA LYS B 66 5.279 -12.093 13.773 1.00 0.45 H new ATOM 0 HB2 LYS B 66 7.305 -10.000 14.548 1.00 0.57 H new ATOM 0 HB3 LYS B 66 6.294 -10.725 15.782 1.00 0.57 H new ATOM 0 HG2 LYS B 66 7.199 -12.878 15.446 1.00 0.74 H new ATOM 0 HG3 LYS B 66 7.814 -12.482 13.854 1.00 0.74 H new ATOM 0 HD2 LYS B 66 9.692 -12.556 15.362 1.00 0.67 H new ATOM 0 HD3 LYS B 66 9.434 -10.880 14.920 1.00 0.67 H new ATOM 0 HE2 LYS B 66 8.247 -10.465 17.034 1.00 1.44 H new ATOM 0 HE3 LYS B 66 8.377 -12.158 17.470 1.00 1.44 H new ATOM 0 HZ1 LYS B 66 10.070 -10.840 18.559 1.00 2.19 H new ATOM 0 HZ2 LYS B 66 10.792 -11.940 17.485 1.00 2.19 H new ATOM 0 HZ3 LYS B 66 10.666 -10.300 17.063 1.00 2.19 H new ATOM 2692 N LEU B 67 4.378 -8.970 13.588 1.00 0.39 N ATOM 2693 CA LEU B 67 3.301 -8.023 13.844 1.00 0.43 C ATOM 2694 C LEU B 67 2.004 -8.521 13.222 1.00 0.62 C ATOM 2695 O LEU B 67 0.981 -8.618 13.901 1.00 1.30 O ATOM 2696 CB LEU B 67 3.658 -6.643 13.281 1.00 0.59 C ATOM 2697 CG LEU B 67 4.785 -5.907 14.010 1.00 0.54 C ATOM 2698 CD1 LEU B 67 5.205 -4.672 13.226 1.00 0.74 C ATOM 2699 CD2 LEU B 67 4.348 -5.522 15.416 1.00 0.79 C ATOM 0 H LEU B 67 5.089 -8.629 12.941 1.00 0.39 H new ATOM 0 HA LEU B 67 3.165 -7.936 14.922 1.00 0.43 H new ATOM 0 HB2 LEU B 67 3.940 -6.758 12.234 1.00 0.59 H new ATOM 0 HB3 LEU B 67 2.765 -6.018 13.304 1.00 0.59 H new ATOM 0 HG LEU B 67 5.642 -6.576 14.087 1.00 0.54 H new ATOM 0 HD11 LEU B 67 6.007 -4.159 13.757 1.00 0.74 H new ATOM 0 HD12 LEU B 67 5.556 -4.970 12.238 1.00 0.74 H new ATOM 0 HD13 LEU B 67 4.353 -4.001 13.120 1.00 0.74 H new ATOM 0 HD21 LEU B 67 5.161 -5.000 15.920 1.00 0.79 H new ATOM 0 HD22 LEU B 67 3.477 -4.869 15.360 1.00 0.79 H new ATOM 0 HD23 LEU B 67 4.092 -6.421 15.976 1.00 0.79 H new ATOM 2711 N LYS B 68 2.076 -8.844 11.930 1.00 0.48 N ATOM 2712 CA LYS B 68 0.934 -9.351 11.167 1.00 0.55 C ATOM 2713 C LYS B 68 -0.184 -8.315 11.039 1.00 0.47 C ATOM 2714 O LYS B 68 -0.873 -7.991 12.009 1.00 0.50 O ATOM 2715 CB LYS B 68 0.398 -10.643 11.790 1.00 0.69 C ATOM 2716 CG LYS B 68 1.260 -11.857 11.495 1.00 0.56 C ATOM 2717 CD LYS B 68 0.574 -13.142 11.920 1.00 0.67 C ATOM 2718 CE LYS B 68 1.202 -14.353 11.249 1.00 0.69 C ATOM 2719 NZ LYS B 68 0.327 -15.549 11.344 1.00 1.04 N ATOM 0 H LYS B 68 2.932 -8.761 11.381 1.00 0.48 H new ATOM 0 HA LYS B 68 1.293 -9.565 10.160 1.00 0.55 H new ATOM 0 HB2 LYS B 68 0.323 -10.513 12.870 1.00 0.69 H new ATOM 0 HB3 LYS B 68 -0.611 -10.825 11.420 1.00 0.69 H new ATOM 0 HG2 LYS B 68 1.481 -11.897 10.428 1.00 0.56 H new ATOM 0 HG3 LYS B 68 2.213 -11.763 12.015 1.00 0.56 H new ATOM 0 HD2 LYS B 68 0.638 -13.250 13.003 1.00 0.67 H new ATOM 0 HD3 LYS B 68 -0.485 -13.092 11.667 1.00 0.67 H new ATOM 0 HE2 LYS B 68 1.398 -14.128 10.201 1.00 0.69 H new ATOM 0 HE3 LYS B 68 2.164 -14.568 11.714 1.00 0.69 H new ATOM 0 HZ1 LYS B 68 0.823 -16.374 10.951 1.00 1.04 H new ATOM 0 HZ2 LYS B 68 0.092 -15.729 12.341 1.00 1.04 H new ATOM 0 HZ3 LYS B 68 -0.548 -15.383 10.806 1.00 1.04 H new ATOM 2733 N GLY B 69 -0.363 -7.806 9.827 1.00 0.50 N ATOM 2734 CA GLY B 69 -1.394 -6.816 9.577 1.00 0.59 C ATOM 2735 C GLY B 69 -1.053 -5.469 10.176 1.00 0.54 C ATOM 2736 O GLY B 69 -1.939 -4.658 10.458 1.00 0.57 O ATOM 0 H GLY B 69 0.190 -8.062 9.009 1.00 0.50 H new ATOM 0 HA2 GLY B 69 -1.537 -6.707 8.502 1.00 0.59 H new ATOM 0 HA3 GLY B 69 -2.339 -7.167 9.991 1.00 0.59 H new ATOM 2740 N GLN B 70 0.235 -5.233 10.362 1.00 0.50 N ATOM 2741 CA GLN B 70 0.715 -3.987 10.932 1.00 0.46 C ATOM 2742 C GLN B 70 1.794 -3.395 10.032 1.00 0.38 C ATOM 2743 O GLN B 70 2.410 -4.109 9.241 1.00 0.37 O ATOM 2744 CB GLN B 70 1.256 -4.231 12.347 1.00 0.50 C ATOM 2745 CG GLN B 70 1.538 -2.961 13.139 1.00 1.31 C ATOM 2746 CD GLN B 70 0.421 -1.938 13.036 1.00 1.89 C ATOM 2747 OE1 GLN B 70 0.459 -1.041 12.192 1.00 2.68 O ATOM 2748 NE2 GLN B 70 -0.578 -2.062 13.888 1.00 2.32 N ATOM 0 H GLN B 70 0.973 -5.896 10.124 1.00 0.50 H new ATOM 0 HA GLN B 70 -0.109 -3.277 11.001 1.00 0.46 H new ATOM 0 HB2 GLN B 70 0.537 -4.837 12.899 1.00 0.50 H new ATOM 0 HB3 GLN B 70 2.175 -4.813 12.276 1.00 0.50 H new ATOM 0 HG2 GLN B 70 1.691 -3.219 14.187 1.00 1.31 H new ATOM 0 HG3 GLN B 70 2.466 -2.515 12.782 1.00 1.31 H new ATOM 0 HE21 GLN B 70 -0.574 -2.818 14.573 1.00 2.32 H new ATOM 0 HE22 GLN B 70 -1.355 -1.402 13.862 1.00 2.32 H new ATOM 2757 N VAL B 71 2.006 -2.096 10.148 1.00 0.36 N ATOM 2758 CA VAL B 71 2.996 -1.405 9.346 1.00 0.32 C ATOM 2759 C VAL B 71 4.212 -1.033 10.195 1.00 0.31 C ATOM 2760 O VAL B 71 4.080 -0.657 11.361 1.00 0.39 O ATOM 2761 CB VAL B 71 2.391 -0.140 8.689 1.00 0.38 C ATOM 2762 CG1 VAL B 71 1.933 0.864 9.739 1.00 1.28 C ATOM 2763 CG2 VAL B 71 3.376 0.496 7.722 1.00 1.35 C ATOM 0 H VAL B 71 1.499 -1.495 10.797 1.00 0.36 H new ATOM 0 HA VAL B 71 3.318 -2.081 8.554 1.00 0.32 H new ATOM 0 HB VAL B 71 1.513 -0.450 8.122 1.00 0.38 H new ATOM 0 HG11 VAL B 71 1.513 1.741 9.246 1.00 1.28 H new ATOM 0 HG12 VAL B 71 1.174 0.406 10.373 1.00 1.28 H new ATOM 0 HG13 VAL B 71 2.784 1.165 10.351 1.00 1.28 H new ATOM 0 HG21 VAL B 71 2.926 1.382 7.275 1.00 1.35 H new ATOM 0 HG22 VAL B 71 4.281 0.780 8.259 1.00 1.35 H new ATOM 0 HG23 VAL B 71 3.629 -0.218 6.938 1.00 1.35 H new ATOM 2773 N LEU B 72 5.392 -1.173 9.610 1.00 0.27 N ATOM 2774 CA LEU B 72 6.637 -0.854 10.287 1.00 0.29 C ATOM 2775 C LEU B 72 7.540 -0.036 9.369 1.00 0.31 C ATOM 2776 O LEU B 72 8.026 -0.538 8.355 1.00 0.44 O ATOM 2777 CB LEU B 72 7.349 -2.135 10.717 1.00 0.35 C ATOM 2778 CG LEU B 72 8.502 -1.933 11.700 1.00 0.44 C ATOM 2779 CD1 LEU B 72 7.966 -1.607 13.083 1.00 1.37 C ATOM 2780 CD2 LEU B 72 9.382 -3.169 11.746 1.00 1.05 C ATOM 0 H LEU B 72 5.512 -1.510 8.655 1.00 0.27 H new ATOM 0 HA LEU B 72 6.410 -0.264 11.175 1.00 0.29 H new ATOM 0 HB2 LEU B 72 6.618 -2.805 11.170 1.00 0.35 H new ATOM 0 HB3 LEU B 72 7.732 -2.636 9.828 1.00 0.35 H new ATOM 0 HG LEU B 72 9.107 -1.093 11.358 1.00 0.44 H new ATOM 0 HD11 LEU B 72 8.799 -1.466 13.772 1.00 1.37 H new ATOM 0 HD12 LEU B 72 7.374 -0.693 13.038 1.00 1.37 H new ATOM 0 HD13 LEU B 72 7.340 -2.428 13.433 1.00 1.37 H new ATOM 0 HD21 LEU B 72 10.198 -3.009 12.451 1.00 1.05 H new ATOM 0 HD22 LEU B 72 8.789 -4.026 12.066 1.00 1.05 H new ATOM 0 HD23 LEU B 72 9.791 -3.361 10.754 1.00 1.05 H new ATOM 2792 N SER B 73 7.749 1.222 9.720 1.00 0.27 N ATOM 2793 CA SER B 73 8.578 2.114 8.923 1.00 0.33 C ATOM 2794 C SER B 73 10.046 2.028 9.334 1.00 0.28 C ATOM 2795 O SER B 73 10.406 2.331 10.475 1.00 0.31 O ATOM 2796 CB SER B 73 8.073 3.549 9.064 1.00 0.48 C ATOM 2797 OG SER B 73 6.659 3.596 8.967 1.00 1.38 O ATOM 0 H SER B 73 7.354 1.652 10.557 1.00 0.27 H new ATOM 0 HA SER B 73 8.508 1.804 7.880 1.00 0.33 H new ATOM 0 HB2 SER B 73 8.390 3.959 10.023 1.00 0.48 H new ATOM 0 HB3 SER B 73 8.516 4.173 8.288 1.00 0.48 H new ATOM 0 HG SER B 73 6.355 4.523 9.061 1.00 1.38 H new ATOM 2803 N VAL B 74 10.886 1.606 8.399 1.00 0.29 N ATOM 2804 CA VAL B 74 12.314 1.484 8.647 1.00 0.28 C ATOM 2805 C VAL B 74 13.073 2.612 7.950 1.00 0.23 C ATOM 2806 O VAL B 74 12.787 2.950 6.799 1.00 0.24 O ATOM 2807 CB VAL B 74 12.852 0.110 8.182 1.00 0.34 C ATOM 2808 CG1 VAL B 74 12.564 -0.125 6.706 1.00 0.35 C ATOM 2809 CG2 VAL B 74 14.344 -0.016 8.465 1.00 0.41 C ATOM 0 H VAL B 74 10.600 1.341 7.456 1.00 0.29 H new ATOM 0 HA VAL B 74 12.473 1.560 9.723 1.00 0.28 H new ATOM 0 HB VAL B 74 12.330 -0.658 8.753 1.00 0.34 H new ATOM 0 HG11 VAL B 74 12.954 -1.099 6.410 1.00 0.35 H new ATOM 0 HG12 VAL B 74 11.488 -0.099 6.537 1.00 0.35 H new ATOM 0 HG13 VAL B 74 13.044 0.654 6.113 1.00 0.35 H new ATOM 0 HG21 VAL B 74 14.697 -0.991 8.129 1.00 0.41 H new ATOM 0 HG22 VAL B 74 14.883 0.768 7.933 1.00 0.41 H new ATOM 0 HG23 VAL B 74 14.521 0.084 9.536 1.00 0.41 H new ATOM 2819 N MET B 75 14.012 3.211 8.666 1.00 0.21 N ATOM 2820 CA MET B 75 14.815 4.302 8.134 1.00 0.20 C ATOM 2821 C MET B 75 16.245 3.837 7.878 1.00 0.20 C ATOM 2822 O MET B 75 17.019 3.624 8.816 1.00 0.24 O ATOM 2823 CB MET B 75 14.818 5.474 9.116 1.00 0.26 C ATOM 2824 CG MET B 75 15.582 6.689 8.621 1.00 0.29 C ATOM 2825 SD MET B 75 14.751 7.523 7.256 1.00 0.41 S ATOM 2826 CE MET B 75 15.793 8.966 7.076 1.00 0.41 C ATOM 0 H MET B 75 14.238 2.957 9.627 1.00 0.21 H new ATOM 0 HA MET B 75 14.379 4.626 7.189 1.00 0.20 H new ATOM 0 HB2 MET B 75 13.788 5.764 9.323 1.00 0.26 H new ATOM 0 HB3 MET B 75 15.252 5.144 10.060 1.00 0.26 H new ATOM 0 HG2 MET B 75 15.714 7.391 9.444 1.00 0.29 H new ATOM 0 HG3 MET B 75 16.578 6.382 8.302 1.00 0.29 H new ATOM 0 HE1 MET B 75 15.801 9.281 6.033 1.00 0.41 H new ATOM 0 HE2 MET B 75 15.405 9.774 7.696 1.00 0.41 H new ATOM 0 HE3 MET B 75 16.808 8.723 7.390 1.00 0.41 H new ATOM 2836 N PHE B 76 16.589 3.678 6.610 1.00 0.21 N ATOM 2837 CA PHE B 76 17.921 3.230 6.226 1.00 0.23 C ATOM 2838 C PHE B 76 18.356 3.915 4.931 1.00 0.22 C ATOM 2839 O PHE B 76 17.642 4.771 4.404 1.00 0.21 O ATOM 2840 CB PHE B 76 17.938 1.703 6.057 1.00 0.26 C ATOM 2841 CG PHE B 76 17.205 1.214 4.836 1.00 0.27 C ATOM 2842 CD1 PHE B 76 15.823 1.271 4.771 1.00 0.31 C ATOM 2843 CD2 PHE B 76 17.902 0.706 3.750 1.00 0.31 C ATOM 2844 CE1 PHE B 76 15.151 0.829 3.647 1.00 0.37 C ATOM 2845 CE2 PHE B 76 17.234 0.264 2.625 1.00 0.36 C ATOM 2846 CZ PHE B 76 15.857 0.327 2.573 1.00 0.38 C ATOM 0 H PHE B 76 15.962 3.853 5.825 1.00 0.21 H new ATOM 0 HA PHE B 76 18.624 3.500 7.014 1.00 0.23 H new ATOM 0 HB2 PHE B 76 18.973 1.365 6.007 1.00 0.26 H new ATOM 0 HB3 PHE B 76 17.496 1.245 6.942 1.00 0.26 H new ATOM 0 HD1 PHE B 76 15.264 1.665 5.607 1.00 0.31 H new ATOM 0 HD2 PHE B 76 18.980 0.655 3.784 1.00 0.31 H new ATOM 0 HE1 PHE B 76 14.073 0.877 3.609 1.00 0.37 H new ATOM 0 HE2 PHE B 76 17.789 -0.131 1.787 1.00 0.36 H new ATOM 0 HZ PHE B 76 15.333 -0.016 1.693 1.00 0.38 H new ATOM 2856 N ARG B 77 19.521 3.538 4.420 1.00 0.25 N ATOM 2857 CA ARG B 77 20.034 4.120 3.186 1.00 0.25 C ATOM 2858 C ARG B 77 19.934 3.127 2.032 1.00 0.23 C ATOM 2859 O ARG B 77 20.509 2.038 2.080 1.00 0.26 O ATOM 2860 CB ARG B 77 21.481 4.585 3.367 1.00 0.30 C ATOM 2861 CG ARG B 77 21.597 6.055 3.745 1.00 0.48 C ATOM 2862 CD ARG B 77 23.047 6.503 3.830 1.00 0.63 C ATOM 2863 NE ARG B 77 23.701 6.021 5.046 1.00 1.50 N ATOM 2864 CZ ARG B 77 24.992 6.214 5.323 1.00 1.87 C ATOM 2865 NH1 ARG B 77 25.772 6.855 4.460 1.00 1.59 N ATOM 2866 NH2 ARG B 77 25.507 5.758 6.461 1.00 2.97 N ATOM 0 H ARG B 77 20.128 2.833 4.840 1.00 0.25 H new ATOM 0 HA ARG B 77 19.420 4.988 2.944 1.00 0.25 H new ATOM 0 HB2 ARG B 77 21.956 3.980 4.139 1.00 0.30 H new ATOM 0 HB3 ARG B 77 22.030 4.410 2.442 1.00 0.30 H new ATOM 0 HG2 ARG B 77 21.071 6.662 3.008 1.00 0.48 H new ATOM 0 HG3 ARG B 77 21.108 6.223 4.704 1.00 0.48 H new ATOM 0 HD2 ARG B 77 23.590 6.139 2.958 1.00 0.63 H new ATOM 0 HD3 ARG B 77 23.092 7.592 3.802 1.00 0.63 H new ATOM 0 HE ARG B 77 23.137 5.507 5.723 1.00 1.50 H new ATOM 0 HH11 ARG B 77 25.385 7.201 3.582 1.00 1.59 H new ATOM 0 HH12 ARG B 77 26.758 7.001 4.675 1.00 1.59 H new ATOM 0 HH21 ARG B 77 24.915 5.259 7.125 1.00 2.97 H new ATOM 0 HH22 ARG B 77 26.494 5.907 6.670 1.00 2.97 H new ATOM 2880 N PHE B 78 19.194 3.515 1.003 1.00 0.24 N ATOM 2881 CA PHE B 78 18.998 2.680 -0.176 1.00 0.23 C ATOM 2882 C PHE B 78 19.859 3.199 -1.325 1.00 0.21 C ATOM 2883 O PHE B 78 20.206 4.380 -1.356 1.00 0.22 O ATOM 2884 CB PHE B 78 17.519 2.692 -0.575 1.00 0.27 C ATOM 2885 CG PHE B 78 17.104 1.545 -1.456 1.00 0.27 C ATOM 2886 CD1 PHE B 78 17.003 0.263 -0.941 1.00 0.34 C ATOM 2887 CD2 PHE B 78 16.805 1.750 -2.794 1.00 0.33 C ATOM 2888 CE1 PHE B 78 16.612 -0.792 -1.743 1.00 0.37 C ATOM 2889 CE2 PHE B 78 16.412 0.698 -3.600 1.00 0.37 C ATOM 2890 CZ PHE B 78 16.316 -0.575 -3.074 1.00 0.33 C ATOM 0 H PHE B 78 18.714 4.414 0.961 1.00 0.24 H new ATOM 0 HA PHE B 78 19.295 1.656 0.051 1.00 0.23 H new ATOM 0 HB2 PHE B 78 16.911 2.678 0.330 1.00 0.27 H new ATOM 0 HB3 PHE B 78 17.302 3.627 -1.091 1.00 0.27 H new ATOM 0 HD1 PHE B 78 17.233 0.086 0.099 1.00 0.34 H new ATOM 0 HD2 PHE B 78 16.880 2.743 -3.212 1.00 0.33 H new ATOM 0 HE1 PHE B 78 16.538 -1.787 -1.329 1.00 0.37 H new ATOM 0 HE2 PHE B 78 16.180 0.872 -4.640 1.00 0.37 H new ATOM 0 HZ PHE B 78 16.010 -1.399 -3.702 1.00 0.33 H new ATOM 2900 N ARG B 79 20.206 2.327 -2.260 1.00 0.25 N ATOM 2901 CA ARG B 79 21.032 2.724 -3.394 1.00 0.26 C ATOM 2902 C ARG B 79 20.182 3.253 -4.542 1.00 0.26 C ATOM 2903 O ARG B 79 19.117 2.720 -4.842 1.00 0.36 O ATOM 2904 CB ARG B 79 21.881 1.549 -3.882 1.00 0.36 C ATOM 2905 CG ARG B 79 22.940 1.952 -4.897 1.00 0.33 C ATOM 2906 CD ARG B 79 23.935 0.835 -5.153 1.00 0.56 C ATOM 2907 NE ARG B 79 23.354 -0.261 -5.930 1.00 1.04 N ATOM 2908 CZ ARG B 79 23.785 -1.519 -5.867 1.00 1.28 C ATOM 2909 NH1 ARG B 79 24.808 -1.829 -5.080 1.00 1.06 N ATOM 2910 NH2 ARG B 79 23.208 -2.463 -6.600 1.00 2.22 N ATOM 0 H ARG B 79 19.931 1.345 -2.258 1.00 0.25 H new ATOM 0 HA ARG B 79 21.689 3.524 -3.054 1.00 0.26 H new ATOM 0 HB2 ARG B 79 22.367 1.081 -3.026 1.00 0.36 H new ATOM 0 HB3 ARG B 79 21.228 0.798 -4.327 1.00 0.36 H new ATOM 0 HG2 ARG B 79 22.457 2.230 -5.834 1.00 0.33 H new ATOM 0 HG3 ARG B 79 23.470 2.834 -4.538 1.00 0.33 H new ATOM 0 HD2 ARG B 79 24.798 1.236 -5.684 1.00 0.56 H new ATOM 0 HD3 ARG B 79 24.298 0.449 -4.200 1.00 0.56 H new ATOM 0 HE ARG B 79 22.576 -0.049 -6.554 1.00 1.04 H new ATOM 0 HH11 ARG B 79 25.262 -1.104 -4.525 1.00 1.06 H new ATOM 0 HH12 ARG B 79 25.140 -2.792 -5.030 1.00 1.06 H new ATOM 0 HH21 ARG B 79 22.430 -2.226 -7.216 1.00 2.22 H new ATOM 0 HH22 ARG B 79 23.543 -3.425 -6.548 1.00 2.22 H new ATOM 2924 N SER B 80 20.662 4.317 -5.160 1.00 0.25 N ATOM 2925 CA SER B 80 19.992 4.933 -6.291 1.00 0.33 C ATOM 2926 C SER B 80 20.679 4.503 -7.590 1.00 0.32 C ATOM 2927 O SER B 80 21.723 3.844 -7.555 1.00 0.32 O ATOM 2928 CB SER B 80 20.021 6.463 -6.122 1.00 0.46 C ATOM 2929 OG SER B 80 20.108 7.146 -7.363 1.00 1.06 O ATOM 0 H SER B 80 21.530 4.780 -4.891 1.00 0.25 H new ATOM 0 HA SER B 80 18.952 4.610 -6.336 1.00 0.33 H new ATOM 0 HB2 SER B 80 19.122 6.784 -5.597 1.00 0.46 H new ATOM 0 HB3 SER B 80 20.871 6.740 -5.498 1.00 0.46 H new ATOM 0 HG SER B 80 20.122 8.113 -7.204 1.00 1.06 H new ATOM 2935 N LYS B 81 20.096 4.865 -8.729 1.00 0.35 N ATOM 2936 CA LYS B 81 20.663 4.529 -10.032 1.00 0.37 C ATOM 2937 C LYS B 81 22.029 5.201 -10.205 1.00 0.40 C ATOM 2938 O LYS B 81 22.831 4.811 -11.059 1.00 0.48 O ATOM 2939 CB LYS B 81 19.707 4.964 -11.148 1.00 0.41 C ATOM 2940 CG LYS B 81 20.042 4.384 -12.514 1.00 0.45 C ATOM 2941 CD LYS B 81 20.043 2.862 -12.493 1.00 0.47 C ATOM 2942 CE LYS B 81 20.561 2.282 -13.799 1.00 0.67 C ATOM 2943 NZ LYS B 81 20.879 0.835 -13.669 1.00 1.69 N ATOM 0 H LYS B 81 19.225 5.395 -8.776 1.00 0.35 H new ATOM 0 HA LYS B 81 20.800 3.449 -10.090 1.00 0.37 H new ATOM 0 HB2 LYS B 81 18.693 4.669 -10.879 1.00 0.41 H new ATOM 0 HB3 LYS B 81 19.715 6.052 -11.215 1.00 0.41 H new ATOM 0 HG2 LYS B 81 19.317 4.738 -13.247 1.00 0.45 H new ATOM 0 HG3 LYS B 81 21.020 4.744 -12.833 1.00 0.45 H new ATOM 0 HD2 LYS B 81 20.662 2.510 -11.668 1.00 0.47 H new ATOM 0 HD3 LYS B 81 19.031 2.500 -12.310 1.00 0.47 H new ATOM 0 HE2 LYS B 81 19.815 2.422 -14.581 1.00 0.67 H new ATOM 0 HE3 LYS B 81 21.454 2.825 -14.110 1.00 0.67 H new ATOM 0 HZ1 LYS B 81 21.499 0.544 -14.451 1.00 1.69 H new ATOM 0 HZ2 LYS B 81 21.361 0.666 -12.763 1.00 1.69 H new ATOM 0 HZ3 LYS B 81 19.999 0.282 -13.701 1.00 1.69 H new ATOM 2957 N ASN B 82 22.289 6.209 -9.376 1.00 0.39 N ATOM 2958 CA ASN B 82 23.557 6.932 -9.410 1.00 0.45 C ATOM 2959 C ASN B 82 24.573 6.259 -8.495 1.00 0.43 C ATOM 2960 O ASN B 82 25.677 6.770 -8.292 1.00 0.50 O ATOM 2961 CB ASN B 82 23.363 8.382 -8.970 1.00 0.53 C ATOM 2962 CG ASN B 82 22.472 9.169 -9.906 1.00 0.95 C ATOM 2963 OD1 ASN B 82 22.464 8.947 -11.117 1.00 1.75 O ATOM 2964 ND2 ASN B 82 21.720 10.102 -9.347 1.00 0.81 N ATOM 0 H ASN B 82 21.635 6.545 -8.669 1.00 0.39 H new ATOM 0 HA ASN B 82 23.927 6.918 -10.435 1.00 0.45 H new ATOM 0 HB2 ASN B 82 22.933 8.398 -7.969 1.00 0.53 H new ATOM 0 HB3 ASN B 82 24.336 8.870 -8.907 1.00 0.53 H new ATOM 0 HD21 ASN B 82 21.101 10.672 -9.924 1.00 0.81 H new ATOM 0 HD22 ASN B 82 21.759 10.252 -8.339 1.00 0.81 H new ATOM 2971 N GLN B 83 24.175 5.113 -7.940 1.00 0.37 N ATOM 2972 CA GLN B 83 25.016 4.330 -7.036 1.00 0.40 C ATOM 2973 C GLN B 83 25.271 5.091 -5.739 1.00 0.37 C ATOM 2974 O GLN B 83 26.282 4.887 -5.069 1.00 0.46 O ATOM 2975 CB GLN B 83 26.334 3.939 -7.711 1.00 0.53 C ATOM 2976 CG GLN B 83 26.277 2.607 -8.444 1.00 0.63 C ATOM 2977 CD GLN B 83 25.113 2.508 -9.415 1.00 0.90 C ATOM 2978 OE1 GLN B 83 24.028 2.030 -9.067 1.00 1.62 O ATOM 2979 NE2 GLN B 83 25.325 2.966 -10.637 1.00 0.87 N ATOM 0 H GLN B 83 23.257 4.701 -8.106 1.00 0.37 H new ATOM 0 HA GLN B 83 24.483 3.412 -6.790 1.00 0.40 H new ATOM 0 HB2 GLN B 83 26.615 4.720 -8.417 1.00 0.53 H new ATOM 0 HB3 GLN B 83 27.119 3.894 -6.956 1.00 0.53 H new ATOM 0 HG2 GLN B 83 27.210 2.459 -8.988 1.00 0.63 H new ATOM 0 HG3 GLN B 83 26.203 1.801 -7.714 1.00 0.63 H new ATOM 0 HE21 GLN B 83 26.235 3.353 -10.886 1.00 0.87 H new ATOM 0 HE22 GLN B 83 24.578 2.932 -11.331 1.00 0.87 H new ATOM 2988 N GLU B 84 24.335 5.963 -5.394 1.00 0.37 N ATOM 2989 CA GLU B 84 24.427 6.756 -4.178 1.00 0.38 C ATOM 2990 C GLU B 84 23.468 6.204 -3.129 1.00 0.31 C ATOM 2991 O GLU B 84 22.419 5.661 -3.473 1.00 0.42 O ATOM 2992 CB GLU B 84 24.099 8.225 -4.472 1.00 0.53 C ATOM 2993 CG GLU B 84 22.769 8.422 -5.188 1.00 1.22 C ATOM 2994 CD GLU B 84 22.450 9.878 -5.456 1.00 2.08 C ATOM 2995 OE1 GLU B 84 22.503 10.691 -4.509 1.00 2.45 O ATOM 2996 OE2 GLU B 84 22.132 10.218 -6.612 1.00 2.78 O ATOM 0 H GLU B 84 23.495 6.140 -5.946 1.00 0.37 H new ATOM 0 HA GLU B 84 25.446 6.699 -3.796 1.00 0.38 H new ATOM 0 HB2 GLU B 84 24.082 8.780 -3.534 1.00 0.53 H new ATOM 0 HB3 GLU B 84 24.896 8.652 -5.081 1.00 0.53 H new ATOM 0 HG2 GLU B 84 22.788 7.880 -6.134 1.00 1.22 H new ATOM 0 HG3 GLU B 84 21.971 7.986 -4.587 1.00 1.22 H new ATOM 3003 N TRP B 85 23.834 6.326 -1.862 1.00 0.32 N ATOM 3004 CA TRP B 85 22.991 5.842 -0.779 1.00 0.33 C ATOM 3005 C TRP B 85 22.153 6.984 -0.219 1.00 0.33 C ATOM 3006 O TRP B 85 22.687 7.947 0.333 1.00 0.45 O ATOM 3007 CB TRP B 85 23.842 5.220 0.331 1.00 0.41 C ATOM 3008 CG TRP B 85 24.774 4.152 -0.157 1.00 0.42 C ATOM 3009 CD1 TRP B 85 26.118 4.270 -0.366 1.00 0.66 C ATOM 3010 CD2 TRP B 85 24.434 2.804 -0.500 1.00 0.50 C ATOM 3011 NE1 TRP B 85 26.631 3.081 -0.818 1.00 0.63 N ATOM 3012 CE2 TRP B 85 25.619 2.166 -0.909 1.00 0.50 C ATOM 3013 CE3 TRP B 85 23.244 2.075 -0.502 1.00 0.84 C ATOM 3014 CZ2 TRP B 85 25.647 0.834 -1.312 1.00 0.67 C ATOM 3015 CZ3 TRP B 85 23.274 0.754 -0.904 1.00 1.10 C ATOM 3016 CH2 TRP B 85 24.468 0.145 -1.304 1.00 0.97 C ATOM 0 H TRP B 85 24.708 6.755 -1.559 1.00 0.32 H new ATOM 0 HA TRP B 85 22.326 5.074 -1.175 1.00 0.33 H new ATOM 0 HB2 TRP B 85 24.423 6.005 0.815 1.00 0.41 H new ATOM 0 HB3 TRP B 85 23.183 4.797 1.089 1.00 0.41 H new ATOM 0 HD1 TRP B 85 26.693 5.169 -0.200 1.00 0.66 H new ATOM 0 HE1 TRP B 85 27.609 2.907 -1.049 1.00 0.63 H new ATOM 0 HE3 TRP B 85 22.317 2.535 -0.195 1.00 0.84 H new ATOM 0 HZ2 TRP B 85 26.568 0.362 -1.620 1.00 0.67 H new ATOM 0 HZ3 TRP B 85 22.359 0.181 -0.910 1.00 1.10 H new ATOM 0 HH2 TRP B 85 24.457 -0.890 -1.612 1.00 0.97 H new ATOM 3027 N LEU B 86 20.844 6.874 -0.366 1.00 0.28 N ATOM 3028 CA LEU B 86 19.933 7.904 0.106 1.00 0.29 C ATOM 3029 C LEU B 86 19.094 7.402 1.276 1.00 0.26 C ATOM 3030 O LEU B 86 18.715 6.231 1.326 1.00 0.28 O ATOM 3031 CB LEU B 86 19.019 8.359 -1.036 1.00 0.34 C ATOM 3032 CG LEU B 86 18.132 7.265 -1.641 1.00 0.42 C ATOM 3033 CD1 LEU B 86 16.672 7.500 -1.290 1.00 0.96 C ATOM 3034 CD2 LEU B 86 18.307 7.209 -3.148 1.00 1.03 C ATOM 0 H LEU B 86 20.386 6.078 -0.810 1.00 0.28 H new ATOM 0 HA LEU B 86 20.527 8.750 0.452 1.00 0.29 H new ATOM 0 HB2 LEU B 86 18.379 9.161 -0.669 1.00 0.34 H new ATOM 0 HB3 LEU B 86 19.637 8.782 -1.828 1.00 0.34 H new ATOM 0 HG LEU B 86 18.439 6.308 -1.219 1.00 0.42 H new ATOM 0 HD11 LEU B 86 16.061 6.712 -1.730 1.00 0.96 H new ATOM 0 HD12 LEU B 86 16.552 7.491 -0.207 1.00 0.96 H new ATOM 0 HD13 LEU B 86 16.355 8.466 -1.682 1.00 0.96 H new ATOM 0 HD21 LEU B 86 17.669 6.427 -3.559 1.00 1.03 H new ATOM 0 HD22 LEU B 86 18.029 8.169 -3.582 1.00 1.03 H new ATOM 0 HD23 LEU B 86 19.348 6.991 -3.386 1.00 1.03 H new ATOM 3046 N TRP B 87 18.820 8.290 2.221 1.00 0.28 N ATOM 3047 CA TRP B 87 18.012 7.946 3.383 1.00 0.29 C ATOM 3048 C TRP B 87 16.544 7.831 2.979 1.00 0.29 C ATOM 3049 O TRP B 87 15.929 8.813 2.558 1.00 0.39 O ATOM 3050 CB TRP B 87 18.175 9.002 4.477 1.00 0.33 C ATOM 3051 CG TRP B 87 19.504 8.950 5.167 1.00 0.38 C ATOM 3052 CD1 TRP B 87 20.669 9.528 4.750 1.00 0.47 C ATOM 3053 CD2 TRP B 87 19.805 8.283 6.398 1.00 0.40 C ATOM 3054 NE1 TRP B 87 21.676 9.257 5.645 1.00 0.53 N ATOM 3055 CE2 TRP B 87 21.169 8.498 6.667 1.00 0.48 C ATOM 3056 CE3 TRP B 87 19.051 7.530 7.304 1.00 0.43 C ATOM 3057 CZ2 TRP B 87 21.795 7.982 7.799 1.00 0.53 C ATOM 3058 CZ3 TRP B 87 19.673 7.018 8.425 1.00 0.50 C ATOM 3059 CH2 TRP B 87 21.032 7.248 8.666 1.00 0.53 C ATOM 0 H TRP B 87 19.146 9.256 2.206 1.00 0.28 H new ATOM 0 HA TRP B 87 18.350 6.986 3.774 1.00 0.29 H new ATOM 0 HB2 TRP B 87 18.041 9.991 4.039 1.00 0.33 H new ATOM 0 HB3 TRP B 87 17.385 8.872 5.217 1.00 0.33 H new ATOM 0 HD1 TRP B 87 20.782 10.112 3.849 1.00 0.47 H new ATOM 0 HE1 TRP B 87 22.643 9.570 5.562 1.00 0.53 H new ATOM 0 HE3 TRP B 87 18.000 7.352 7.130 1.00 0.43 H new ATOM 0 HZ2 TRP B 87 22.845 8.155 7.986 1.00 0.53 H new ATOM 0 HZ3 TRP B 87 19.101 6.430 9.128 1.00 0.50 H new ATOM 0 HH2 TRP B 87 21.488 6.838 9.555 1.00 0.53 H new ATOM 3070 N MET B 88 15.991 6.634 3.098 1.00 0.31 N ATOM 3071 CA MET B 88 14.604 6.400 2.725 1.00 0.39 C ATOM 3072 C MET B 88 13.848 5.670 3.826 1.00 0.37 C ATOM 3073 O MET B 88 14.293 4.633 4.320 1.00 0.40 O ATOM 3074 CB MET B 88 14.541 5.587 1.428 1.00 0.52 C ATOM 3075 CG MET B 88 13.124 5.287 0.956 1.00 0.73 C ATOM 3076 SD MET B 88 13.076 4.123 -0.424 1.00 1.53 S ATOM 3077 CE MET B 88 13.818 2.672 0.323 1.00 0.91 C ATOM 0 H MET B 88 16.480 5.811 3.449 1.00 0.31 H new ATOM 0 HA MET B 88 14.130 7.370 2.573 1.00 0.39 H new ATOM 0 HB2 MET B 88 15.067 6.131 0.644 1.00 0.52 H new ATOM 0 HB3 MET B 88 15.072 4.646 1.574 1.00 0.52 H new ATOM 0 HG2 MET B 88 12.548 4.881 1.787 1.00 0.73 H new ATOM 0 HG3 MET B 88 12.641 6.217 0.657 1.00 0.73 H new ATOM 0 HE1 MET B 88 14.803 2.503 -0.111 1.00 0.91 H new ATOM 0 HE2 MET B 88 13.917 2.826 1.398 1.00 0.91 H new ATOM 0 HE3 MET B 88 13.186 1.804 0.138 1.00 0.91 H new ATOM 3087 N ARG B 89 12.708 6.225 4.212 1.00 0.36 N ATOM 3088 CA ARG B 89 11.869 5.614 5.229 1.00 0.37 C ATOM 3089 C ARG B 89 10.862 4.706 4.540 1.00 0.36 C ATOM 3090 O ARG B 89 9.990 5.176 3.810 1.00 0.42 O ATOM 3091 CB ARG B 89 11.142 6.681 6.053 1.00 0.44 C ATOM 3092 CG ARG B 89 10.322 6.109 7.200 1.00 0.58 C ATOM 3093 CD ARG B 89 9.468 7.176 7.863 1.00 0.97 C ATOM 3094 NE ARG B 89 8.347 7.593 7.020 1.00 2.01 N ATOM 3095 CZ ARG B 89 7.370 8.403 7.429 1.00 2.63 C ATOM 3096 NH1 ARG B 89 7.359 8.862 8.676 1.00 2.41 N ATOM 3097 NH2 ARG B 89 6.400 8.747 6.591 1.00 3.80 N ATOM 0 H ARG B 89 12.343 7.100 3.834 1.00 0.36 H new ATOM 0 HA ARG B 89 12.491 5.036 5.913 1.00 0.37 H new ATOM 0 HB2 ARG B 89 11.875 7.380 6.455 1.00 0.44 H new ATOM 0 HB3 ARG B 89 10.485 7.251 5.396 1.00 0.44 H new ATOM 0 HG2 ARG B 89 9.682 5.309 6.827 1.00 0.58 H new ATOM 0 HG3 ARG B 89 10.989 5.665 7.939 1.00 0.58 H new ATOM 0 HD2 ARG B 89 9.086 6.796 8.810 1.00 0.97 H new ATOM 0 HD3 ARG B 89 10.088 8.042 8.094 1.00 0.97 H new ATOM 0 HE ARG B 89 8.311 7.243 6.063 1.00 2.01 H new ATOM 0 HH11 ARG B 89 8.100 8.595 9.324 1.00 2.41 H new ATOM 0 HH12 ARG B 89 6.610 9.481 8.985 1.00 2.41 H new ATOM 0 HH21 ARG B 89 6.402 8.392 5.635 1.00 3.80 H new ATOM 0 HH22 ARG B 89 5.652 9.367 6.903 1.00 3.80 H new ATOM 3111 N THR B 90 10.987 3.412 4.751 1.00 0.33 N ATOM 3112 CA THR B 90 10.089 2.467 4.109 1.00 0.34 C ATOM 3113 C THR B 90 9.145 1.811 5.109 1.00 0.31 C ATOM 3114 O THR B 90 9.572 1.060 5.986 1.00 0.34 O ATOM 3115 CB THR B 90 10.886 1.390 3.358 1.00 0.38 C ATOM 3116 OG1 THR B 90 12.262 1.778 3.289 1.00 0.43 O ATOM 3117 CG2 THR B 90 10.344 1.200 1.951 1.00 0.43 C ATOM 0 H THR B 90 11.693 2.991 5.355 1.00 0.33 H new ATOM 0 HA THR B 90 9.485 3.029 3.397 1.00 0.34 H new ATOM 0 HB THR B 90 10.791 0.448 3.898 1.00 0.38 H new ATOM 0 HG1 THR B 90 12.658 1.739 4.185 1.00 0.43 H new ATOM 0 HG21 THR B 90 10.924 0.433 1.438 1.00 0.43 H new ATOM 0 HG22 THR B 90 9.300 0.892 2.002 1.00 0.43 H new ATOM 0 HG23 THR B 90 10.419 2.139 1.402 1.00 0.43 H new ATOM 3125 N SER B 91 7.864 2.117 4.980 1.00 0.28 N ATOM 3126 CA SER B 91 6.847 1.554 5.850 1.00 0.27 C ATOM 3127 C SER B 91 6.384 0.202 5.308 1.00 0.23 C ATOM 3128 O SER B 91 5.604 0.135 4.360 1.00 0.28 O ATOM 3129 CB SER B 91 5.673 2.528 5.963 1.00 0.36 C ATOM 3130 OG SER B 91 6.138 3.832 6.271 1.00 0.97 O ATOM 0 H SER B 91 7.503 2.758 4.274 1.00 0.28 H new ATOM 0 HA SER B 91 7.265 1.396 6.844 1.00 0.27 H new ATOM 0 HB2 SER B 91 5.116 2.546 5.026 1.00 0.36 H new ATOM 0 HB3 SER B 91 4.984 2.189 6.737 1.00 0.36 H new ATOM 0 HG SER B 91 6.270 3.912 7.239 1.00 0.97 H new ATOM 3136 N SER B 92 6.887 -0.869 5.901 1.00 0.23 N ATOM 3137 CA SER B 92 6.549 -2.217 5.474 1.00 0.28 C ATOM 3138 C SER B 92 5.277 -2.708 6.156 1.00 0.26 C ATOM 3139 O SER B 92 5.126 -2.572 7.364 1.00 0.36 O ATOM 3140 CB SER B 92 7.713 -3.154 5.793 1.00 0.36 C ATOM 3141 OG SER B 92 8.945 -2.595 5.358 1.00 1.27 O ATOM 0 H SER B 92 7.537 -0.829 6.686 1.00 0.23 H new ATOM 0 HA SER B 92 6.368 -2.208 4.399 1.00 0.28 H new ATOM 0 HB2 SER B 92 7.752 -3.340 6.866 1.00 0.36 H new ATOM 0 HB3 SER B 92 7.554 -4.117 5.308 1.00 0.36 H new ATOM 0 HG SER B 92 9.061 -2.764 4.400 1.00 1.27 H new ATOM 3147 N PHE B 93 4.364 -3.256 5.371 1.00 0.25 N ATOM 3148 CA PHE B 93 3.110 -3.776 5.895 1.00 0.27 C ATOM 3149 C PHE B 93 2.963 -5.252 5.529 1.00 0.25 C ATOM 3150 O PHE B 93 3.261 -5.651 4.399 1.00 0.25 O ATOM 3151 CB PHE B 93 1.934 -2.968 5.333 1.00 0.33 C ATOM 3152 CG PHE B 93 0.621 -3.233 6.014 1.00 0.37 C ATOM 3153 CD1 PHE B 93 -0.182 -4.292 5.621 1.00 0.35 C ATOM 3154 CD2 PHE B 93 0.189 -2.416 7.044 1.00 0.47 C ATOM 3155 CE1 PHE B 93 -1.391 -4.529 6.244 1.00 0.41 C ATOM 3156 CE2 PHE B 93 -1.018 -2.648 7.670 1.00 0.54 C ATOM 3157 CZ PHE B 93 -1.808 -3.706 7.271 1.00 0.50 C ATOM 0 H PHE B 93 4.469 -3.353 4.361 1.00 0.25 H new ATOM 0 HA PHE B 93 3.111 -3.684 6.981 1.00 0.27 H new ATOM 0 HB2 PHE B 93 2.165 -1.906 5.416 1.00 0.33 H new ATOM 0 HB3 PHE B 93 1.830 -3.190 4.271 1.00 0.33 H new ATOM 0 HD1 PHE B 93 0.141 -4.939 4.819 1.00 0.35 H new ATOM 0 HD2 PHE B 93 0.804 -1.587 7.361 1.00 0.47 H new ATOM 0 HE1 PHE B 93 -2.009 -5.356 5.929 1.00 0.41 H new ATOM 0 HE2 PHE B 93 -1.344 -2.002 8.472 1.00 0.54 H new ATOM 0 HZ PHE B 93 -2.752 -3.890 7.762 1.00 0.50 H new ATOM 3167 N THR B 94 2.526 -6.061 6.486 1.00 0.30 N ATOM 3168 CA THR B 94 2.336 -7.486 6.256 1.00 0.31 C ATOM 3169 C THR B 94 1.023 -7.749 5.518 1.00 0.33 C ATOM 3170 O THR B 94 -0.057 -7.650 6.098 1.00 0.37 O ATOM 3171 CB THR B 94 2.337 -8.265 7.582 1.00 0.38 C ATOM 3172 OG1 THR B 94 2.602 -7.375 8.676 1.00 0.59 O ATOM 3173 CG2 THR B 94 3.384 -9.367 7.556 1.00 0.37 C ATOM 0 H THR B 94 2.296 -5.753 7.431 1.00 0.30 H new ATOM 0 HA THR B 94 3.168 -7.829 5.641 1.00 0.31 H new ATOM 0 HB THR B 94 1.354 -8.718 7.714 1.00 0.38 H new ATOM 0 HG1 THR B 94 3.268 -7.778 9.272 1.00 0.59 H new ATOM 0 HG21 THR B 94 3.368 -9.906 8.503 1.00 0.37 H new ATOM 0 HG22 THR B 94 3.165 -10.058 6.742 1.00 0.37 H new ATOM 0 HG23 THR B 94 4.370 -8.928 7.404 1.00 0.37 H new ATOM 3181 N PHE B 95 1.127 -8.075 4.235 1.00 0.35 N ATOM 3182 CA PHE B 95 -0.046 -8.345 3.414 1.00 0.41 C ATOM 3183 C PHE B 95 -0.567 -9.755 3.678 1.00 0.45 C ATOM 3184 O PHE B 95 0.023 -10.743 3.230 1.00 0.49 O ATOM 3185 CB PHE B 95 0.306 -8.173 1.936 1.00 0.48 C ATOM 3186 CG PHE B 95 -0.887 -7.993 1.040 1.00 0.56 C ATOM 3187 CD1 PHE B 95 -1.516 -9.087 0.471 1.00 0.91 C ATOM 3188 CD2 PHE B 95 -1.373 -6.724 0.763 1.00 0.95 C ATOM 3189 CE1 PHE B 95 -2.607 -8.921 -0.358 1.00 0.98 C ATOM 3190 CE2 PHE B 95 -2.464 -6.552 -0.065 1.00 1.03 C ATOM 3191 CZ PHE B 95 -3.081 -7.651 -0.626 1.00 0.78 C ATOM 0 H PHE B 95 2.015 -8.159 3.740 1.00 0.35 H new ATOM 0 HA PHE B 95 -0.832 -7.636 3.675 1.00 0.41 H new ATOM 0 HB2 PHE B 95 0.962 -7.310 1.828 1.00 0.48 H new ATOM 0 HB3 PHE B 95 0.869 -9.045 1.603 1.00 0.48 H new ATOM 0 HD1 PHE B 95 -1.149 -10.081 0.678 1.00 0.91 H new ATOM 0 HD2 PHE B 95 -0.893 -5.861 1.200 1.00 0.95 H new ATOM 0 HE1 PHE B 95 -3.089 -9.782 -0.796 1.00 0.98 H new ATOM 0 HE2 PHE B 95 -2.834 -5.559 -0.273 1.00 1.03 H new ATOM 0 HZ PHE B 95 -3.934 -7.519 -1.275 1.00 0.78 H new ATOM 3201 N GLN B 96 -1.670 -9.838 4.406 1.00 0.51 N ATOM 3202 CA GLN B 96 -2.276 -11.116 4.752 1.00 0.56 C ATOM 3203 C GLN B 96 -3.703 -11.219 4.229 1.00 0.63 C ATOM 3204 O GLN B 96 -4.253 -10.260 3.685 1.00 0.71 O ATOM 3205 CB GLN B 96 -2.293 -11.292 6.270 1.00 0.60 C ATOM 3206 CG GLN B 96 -1.016 -11.873 6.842 1.00 0.74 C ATOM 3207 CD GLN B 96 -0.648 -11.248 8.169 1.00 0.88 C ATOM 3208 OE1 GLN B 96 0.177 -10.340 8.234 1.00 1.41 O ATOM 3209 NE2 GLN B 96 -1.276 -11.712 9.234 1.00 0.91 N ATOM 0 H GLN B 96 -2.168 -9.027 4.772 1.00 0.51 H new ATOM 0 HA GLN B 96 -1.677 -11.899 4.287 1.00 0.56 H new ATOM 0 HB2 GLN B 96 -2.478 -10.324 6.735 1.00 0.60 H new ATOM 0 HB3 GLN B 96 -3.127 -11.940 6.540 1.00 0.60 H new ATOM 0 HG2 GLN B 96 -1.134 -12.949 6.969 1.00 0.74 H new ATOM 0 HG3 GLN B 96 -0.201 -11.723 6.133 1.00 0.74 H new ATOM 0 HE21 GLN B 96 -1.954 -12.467 9.137 1.00 0.91 H new ATOM 0 HE22 GLN B 96 -1.083 -11.315 10.153 1.00 0.91 H new ATOM 3218 N ASN B 97 -4.293 -12.393 4.407 1.00 0.73 N ATOM 3219 CA ASN B 97 -5.662 -12.647 3.991 1.00 0.91 C ATOM 3220 C ASN B 97 -6.469 -13.118 5.194 1.00 0.97 C ATOM 3221 O ASN B 97 -5.971 -13.893 6.013 1.00 0.97 O ATOM 3222 CB ASN B 97 -5.715 -13.695 2.875 1.00 1.06 C ATOM 3223 CG ASN B 97 -5.322 -13.130 1.522 1.00 1.43 C ATOM 3224 OD1 ASN B 97 -6.164 -12.631 0.772 1.00 1.94 O ATOM 3225 ND2 ASN B 97 -4.040 -13.212 1.199 1.00 1.65 N ATOM 0 H ASN B 97 -3.836 -13.194 4.843 1.00 0.73 H new ATOM 0 HA ASN B 97 -6.088 -11.724 3.599 1.00 0.91 H new ATOM 0 HB2 ASN B 97 -5.050 -14.521 3.126 1.00 1.06 H new ATOM 0 HB3 ASN B 97 -6.723 -14.104 2.814 1.00 1.06 H new ATOM 0 HD21 ASN B 97 -3.717 -12.854 0.300 1.00 1.65 H new ATOM 0 HD22 ASN B 97 -3.376 -13.633 1.849 1.00 1.65 H new ATOM 3232 N PRO B 98 -7.722 -12.666 5.317 1.00 1.12 N ATOM 3233 CA PRO B 98 -8.595 -13.027 6.440 1.00 1.28 C ATOM 3234 C PRO B 98 -9.187 -14.431 6.310 1.00 1.35 C ATOM 3235 O PRO B 98 -10.342 -14.661 6.661 1.00 1.41 O ATOM 3236 CB PRO B 98 -9.695 -11.972 6.360 1.00 1.50 C ATOM 3237 CG PRO B 98 -9.795 -11.655 4.910 1.00 1.51 C ATOM 3238 CD PRO B 98 -8.396 -11.761 4.368 1.00 1.26 C ATOM 0 HA PRO B 98 -8.057 -13.047 7.388 1.00 1.28 H new ATOM 0 HB2 PRO B 98 -10.639 -12.351 6.750 1.00 1.50 H new ATOM 0 HB3 PRO B 98 -9.441 -11.087 6.944 1.00 1.50 H new ATOM 0 HG2 PRO B 98 -10.464 -12.351 4.403 1.00 1.51 H new ATOM 0 HG3 PRO B 98 -10.199 -10.654 4.756 1.00 1.51 H new ATOM 0 HD2 PRO B 98 -8.388 -12.164 3.355 1.00 1.26 H new ATOM 0 HD3 PRO B 98 -7.907 -10.787 4.327 1.00 1.26 H new ATOM 3246 N TYR B 99 -8.396 -15.368 5.813 1.00 1.39 N ATOM 3247 CA TYR B 99 -8.861 -16.738 5.648 1.00 1.52 C ATOM 3248 C TYR B 99 -8.097 -17.671 6.571 1.00 1.54 C ATOM 3249 O TYR B 99 -8.662 -18.238 7.505 1.00 1.80 O ATOM 3250 CB TYR B 99 -8.711 -17.178 4.190 1.00 1.68 C ATOM 3251 CG TYR B 99 -9.552 -16.359 3.238 1.00 1.87 C ATOM 3252 CD1 TYR B 99 -10.882 -16.682 3.003 1.00 1.83 C ATOM 3253 CD2 TYR B 99 -9.020 -15.253 2.587 1.00 2.26 C ATOM 3254 CE1 TYR B 99 -11.657 -15.927 2.146 1.00 2.10 C ATOM 3255 CE2 TYR B 99 -9.789 -14.494 1.728 1.00 2.61 C ATOM 3256 CZ TYR B 99 -11.106 -14.835 1.512 1.00 2.50 C ATOM 3257 OH TYR B 99 -11.873 -14.080 0.658 1.00 2.90 O ATOM 0 H TYR B 99 -7.433 -15.208 5.518 1.00 1.39 H new ATOM 0 HA TYR B 99 -9.917 -16.783 5.914 1.00 1.52 H new ATOM 0 HB2 TYR B 99 -7.663 -17.102 3.899 1.00 1.68 H new ATOM 0 HB3 TYR B 99 -8.990 -18.228 4.102 1.00 1.68 H new ATOM 0 HD1 TYR B 99 -11.317 -17.537 3.499 1.00 1.83 H new ATOM 0 HD2 TYR B 99 -7.988 -14.983 2.756 1.00 2.26 H new ATOM 0 HE1 TYR B 99 -12.690 -16.191 1.973 1.00 2.10 H new ATOM 0 HE2 TYR B 99 -9.361 -13.638 1.228 1.00 2.61 H new ATOM 0 HH TYR B 99 -11.389 -13.262 0.420 1.00 2.90 H new ATOM 3267 N SER B 100 -6.810 -17.814 6.314 1.00 1.37 N ATOM 3268 CA SER B 100 -5.959 -18.666 7.123 1.00 1.42 C ATOM 3269 C SER B 100 -4.806 -17.846 7.695 1.00 1.24 C ATOM 3270 O SER B 100 -3.853 -18.394 8.253 1.00 1.29 O ATOM 3271 CB SER B 100 -5.433 -19.827 6.277 1.00 1.52 C ATOM 3272 OG SER B 100 -6.466 -20.378 5.468 1.00 2.27 O ATOM 0 H SER B 100 -6.329 -17.347 5.545 1.00 1.37 H new ATOM 0 HA SER B 100 -6.536 -19.078 7.951 1.00 1.42 H new ATOM 0 HB2 SER B 100 -4.617 -19.479 5.644 1.00 1.52 H new ATOM 0 HB3 SER B 100 -5.025 -20.600 6.928 1.00 1.52 H new ATOM 0 HG SER B 100 -6.105 -21.117 4.935 1.00 2.27 H new ATOM 3278 N ASP B 101 -4.913 -16.520 7.538 1.00 1.08 N ATOM 3279 CA ASP B 101 -3.904 -15.574 8.019 1.00 0.96 C ATOM 3280 C ASP B 101 -2.581 -15.796 7.294 1.00 0.87 C ATOM 3281 O ASP B 101 -1.498 -15.650 7.867 1.00 0.91 O ATOM 3282 CB ASP B 101 -3.721 -15.700 9.534 1.00 1.15 C ATOM 3283 CG ASP B 101 -3.027 -14.498 10.133 1.00 1.33 C ATOM 3284 OD1 ASP B 101 -3.356 -13.359 9.742 1.00 2.06 O ATOM 3285 OD2 ASP B 101 -2.151 -14.686 11.002 1.00 1.27 O ATOM 0 H ASP B 101 -5.704 -16.075 7.073 1.00 1.08 H new ATOM 0 HA ASP B 101 -4.249 -14.563 7.804 1.00 0.96 H new ATOM 0 HB2 ASP B 101 -4.696 -15.826 10.006 1.00 1.15 H new ATOM 0 HB3 ASP B 101 -3.142 -16.597 9.754 1.00 1.15 H new ATOM 3290 N GLU B 102 -2.684 -16.144 6.021 1.00 0.88 N ATOM 3291 CA GLU B 102 -1.515 -16.407 5.195 1.00 0.85 C ATOM 3292 C GLU B 102 -0.866 -15.108 4.734 1.00 0.72 C ATOM 3293 O GLU B 102 -1.541 -14.203 4.238 1.00 0.72 O ATOM 3294 CB GLU B 102 -1.893 -17.252 3.972 1.00 1.03 C ATOM 3295 CG GLU B 102 -3.199 -18.020 4.122 1.00 1.30 C ATOM 3296 CD GLU B 102 -4.413 -17.201 3.722 1.00 1.72 C ATOM 3297 OE1 GLU B 102 -4.722 -17.143 2.515 1.00 2.51 O ATOM 3298 OE2 GLU B 102 -5.061 -16.619 4.617 1.00 1.82 O ATOM 0 H GLU B 102 -3.573 -16.252 5.533 1.00 0.88 H new ATOM 0 HA GLU B 102 -0.800 -16.960 5.805 1.00 0.85 H new ATOM 0 HB2 GLU B 102 -1.967 -16.599 3.102 1.00 1.03 H new ATOM 0 HB3 GLU B 102 -1.089 -17.960 3.772 1.00 1.03 H new ATOM 0 HG2 GLU B 102 -3.157 -18.921 3.511 1.00 1.30 H new ATOM 0 HG3 GLU B 102 -3.309 -18.342 5.158 1.00 1.30 H new ATOM 3305 N ILE B 103 0.445 -15.024 4.911 1.00 0.68 N ATOM 3306 CA ILE B 103 1.201 -13.854 4.499 1.00 0.59 C ATOM 3307 C ILE B 103 1.639 -14.017 3.049 1.00 0.61 C ATOM 3308 O ILE B 103 2.397 -14.930 2.718 1.00 0.74 O ATOM 3309 CB ILE B 103 2.448 -13.634 5.388 1.00 0.62 C ATOM 3310 CG1 ILE B 103 2.041 -13.531 6.862 1.00 0.67 C ATOM 3311 CG2 ILE B 103 3.202 -12.382 4.950 1.00 0.56 C ATOM 3312 CD1 ILE B 103 3.211 -13.397 7.814 1.00 0.99 C ATOM 0 H ILE B 103 1.008 -15.758 5.340 1.00 0.68 H new ATOM 0 HA ILE B 103 0.553 -12.984 4.605 1.00 0.59 H new ATOM 0 HB ILE B 103 3.112 -14.491 5.273 1.00 0.62 H new ATOM 0 HG12 ILE B 103 1.383 -12.671 6.988 1.00 0.67 H new ATOM 0 HG13 ILE B 103 1.465 -14.416 7.132 1.00 0.67 H new ATOM 0 HG21 ILE B 103 4.076 -12.243 5.586 1.00 0.56 H new ATOM 0 HG22 ILE B 103 3.521 -12.493 3.914 1.00 0.56 H new ATOM 0 HG23 ILE B 103 2.548 -11.514 5.037 1.00 0.56 H new ATOM 0 HD11 ILE B 103 2.842 -13.330 8.837 1.00 0.99 H new ATOM 0 HD12 ILE B 103 3.859 -14.268 7.719 1.00 0.99 H new ATOM 0 HD13 ILE B 103 3.776 -12.497 7.572 1.00 0.99 H new ATOM 3324 N GLU B 104 1.139 -13.151 2.184 1.00 0.54 N ATOM 3325 CA GLU B 104 1.482 -13.208 0.770 1.00 0.59 C ATOM 3326 C GLU B 104 2.837 -12.558 0.515 1.00 0.51 C ATOM 3327 O GLU B 104 3.749 -13.191 -0.018 1.00 0.56 O ATOM 3328 CB GLU B 104 0.399 -12.526 -0.072 1.00 0.69 C ATOM 3329 CG GLU B 104 -0.900 -13.312 -0.144 1.00 0.85 C ATOM 3330 CD GLU B 104 -1.729 -12.953 -1.359 1.00 1.06 C ATOM 3331 OE1 GLU B 104 -1.203 -13.034 -2.490 1.00 1.44 O ATOM 3332 OE2 GLU B 104 -2.912 -12.587 -1.195 1.00 1.33 O ATOM 0 H GLU B 104 0.495 -12.400 2.434 1.00 0.54 H new ATOM 0 HA GLU B 104 1.544 -14.256 0.477 1.00 0.59 H new ATOM 0 HB2 GLU B 104 0.195 -11.539 0.344 1.00 0.69 H new ATOM 0 HB3 GLU B 104 0.778 -12.374 -1.082 1.00 0.69 H new ATOM 0 HG2 GLU B 104 -0.675 -14.378 -0.164 1.00 0.85 H new ATOM 0 HG3 GLU B 104 -1.484 -13.126 0.758 1.00 0.85 H new ATOM 3339 N TYR B 105 2.968 -11.298 0.911 1.00 0.42 N ATOM 3340 CA TYR B 105 4.207 -10.558 0.717 1.00 0.40 C ATOM 3341 C TYR B 105 4.245 -9.340 1.633 1.00 0.33 C ATOM 3342 O TYR B 105 3.323 -9.116 2.421 1.00 0.37 O ATOM 3343 CB TYR B 105 4.357 -10.125 -0.749 1.00 0.46 C ATOM 3344 CG TYR B 105 3.089 -9.563 -1.358 1.00 0.47 C ATOM 3345 CD1 TYR B 105 2.706 -8.246 -1.132 1.00 0.45 C ATOM 3346 CD2 TYR B 105 2.272 -10.355 -2.153 1.00 0.59 C ATOM 3347 CE1 TYR B 105 1.545 -7.738 -1.681 1.00 0.55 C ATOM 3348 CE2 TYR B 105 1.112 -9.853 -2.706 1.00 0.67 C ATOM 3349 CZ TYR B 105 0.752 -8.546 -2.466 1.00 0.65 C ATOM 3350 OH TYR B 105 -0.403 -8.041 -3.016 1.00 0.77 O ATOM 0 H TYR B 105 2.228 -10.766 1.370 1.00 0.42 H new ATOM 0 HA TYR B 105 5.041 -11.213 0.969 1.00 0.40 H new ATOM 0 HB2 TYR B 105 5.144 -9.374 -0.817 1.00 0.46 H new ATOM 0 HB3 TYR B 105 4.682 -10.982 -1.339 1.00 0.46 H new ATOM 0 HD1 TYR B 105 3.326 -7.610 -0.518 1.00 0.45 H new ATOM 0 HD2 TYR B 105 2.549 -11.382 -2.342 1.00 0.59 H new ATOM 0 HE1 TYR B 105 1.260 -6.713 -1.496 1.00 0.55 H new ATOM 0 HE2 TYR B 105 0.489 -10.482 -3.324 1.00 0.67 H new ATOM 0 HH TYR B 105 -1.132 -8.110 -2.365 1.00 0.77 H new ATOM 3360 N ILE B 106 5.307 -8.557 1.519 1.00 0.26 N ATOM 3361 CA ILE B 106 5.474 -7.363 2.330 1.00 0.25 C ATOM 3362 C ILE B 106 5.463 -6.119 1.451 1.00 0.26 C ATOM 3363 O ILE B 106 6.344 -5.935 0.606 1.00 0.28 O ATOM 3364 CB ILE B 106 6.796 -7.398 3.129 1.00 0.26 C ATOM 3365 CG1 ILE B 106 6.982 -8.760 3.806 1.00 0.31 C ATOM 3366 CG2 ILE B 106 6.815 -6.282 4.165 1.00 0.30 C ATOM 3367 CD1 ILE B 106 8.365 -8.962 4.388 1.00 0.36 C ATOM 0 H ILE B 106 6.072 -8.730 0.866 1.00 0.26 H new ATOM 0 HA ILE B 106 4.641 -7.332 3.032 1.00 0.25 H new ATOM 0 HB ILE B 106 7.623 -7.245 2.436 1.00 0.26 H new ATOM 0 HG12 ILE B 106 6.243 -8.866 4.600 1.00 0.31 H new ATOM 0 HG13 ILE B 106 6.784 -9.548 3.079 1.00 0.31 H new ATOM 0 HG21 ILE B 106 7.752 -6.318 4.721 1.00 0.30 H new ATOM 0 HG22 ILE B 106 6.727 -5.318 3.663 1.00 0.30 H new ATOM 0 HG23 ILE B 106 5.979 -6.410 4.853 1.00 0.30 H new ATOM 0 HD11 ILE B 106 8.425 -9.947 4.851 1.00 0.36 H new ATOM 0 HD12 ILE B 106 9.108 -8.889 3.594 1.00 0.36 H new ATOM 0 HD13 ILE B 106 8.559 -8.196 5.139 1.00 0.36 H new ATOM 3379 N ILE B 107 4.460 -5.278 1.642 1.00 0.29 N ATOM 3380 CA ILE B 107 4.342 -4.045 0.878 1.00 0.34 C ATOM 3381 C ILE B 107 5.000 -2.903 1.637 1.00 0.40 C ATOM 3382 O ILE B 107 4.580 -2.550 2.736 1.00 0.52 O ATOM 3383 CB ILE B 107 2.869 -3.690 0.576 1.00 0.44 C ATOM 3384 CG1 ILE B 107 1.979 -3.982 1.791 1.00 0.46 C ATOM 3385 CG2 ILE B 107 2.384 -4.455 -0.647 1.00 0.53 C ATOM 3386 CD1 ILE B 107 0.543 -3.538 1.616 1.00 0.79 C ATOM 0 H ILE B 107 3.714 -5.426 2.321 1.00 0.29 H new ATOM 0 HA ILE B 107 4.848 -4.198 -0.075 1.00 0.34 H new ATOM 0 HB ILE B 107 2.806 -2.623 0.363 1.00 0.44 H new ATOM 0 HG12 ILE B 107 1.996 -5.053 1.994 1.00 0.46 H new ATOM 0 HG13 ILE B 107 2.399 -3.485 2.665 1.00 0.46 H new ATOM 0 HG21 ILE B 107 1.345 -4.196 -0.849 1.00 0.53 H new ATOM 0 HG22 ILE B 107 2.998 -4.191 -1.508 1.00 0.53 H new ATOM 0 HG23 ILE B 107 2.461 -5.526 -0.460 1.00 0.53 H new ATOM 0 HD11 ILE B 107 -0.024 -3.778 2.515 1.00 0.79 H new ATOM 0 HD12 ILE B 107 0.513 -2.462 1.444 1.00 0.79 H new ATOM 0 HD13 ILE B 107 0.104 -4.054 0.762 1.00 0.79 H new ATOM 3398 N CYS B 108 6.050 -2.344 1.064 1.00 0.39 N ATOM 3399 CA CYS B 108 6.771 -1.258 1.708 1.00 0.47 C ATOM 3400 C CYS B 108 6.476 0.089 1.059 1.00 0.37 C ATOM 3401 O CYS B 108 6.628 0.255 -0.149 1.00 0.43 O ATOM 3402 CB CYS B 108 8.273 -1.535 1.662 1.00 0.61 C ATOM 3403 SG CYS B 108 8.757 -3.107 2.412 1.00 1.55 S ATOM 0 H CYS B 108 6.423 -2.622 0.156 1.00 0.39 H new ATOM 0 HA CYS B 108 6.433 -1.207 2.743 1.00 0.47 H new ATOM 0 HB2 CYS B 108 8.602 -1.524 0.623 1.00 0.61 H new ATOM 0 HB3 CYS B 108 8.797 -0.726 2.171 1.00 0.61 H new ATOM 0 HG CYS B 108 9.203 -3.908 1.491 1.00 1.55 H new ATOM 3409 N THR B 109 6.039 1.040 1.868 1.00 0.32 N ATOM 3410 CA THR B 109 5.756 2.383 1.391 1.00 0.29 C ATOM 3411 C THR B 109 7.039 3.209 1.429 1.00 0.26 C ATOM 3412 O THR B 109 7.553 3.525 2.504 1.00 0.27 O ATOM 3413 CB THR B 109 4.671 3.060 2.249 1.00 0.39 C ATOM 3414 OG1 THR B 109 3.626 2.117 2.529 1.00 0.48 O ATOM 3415 CG2 THR B 109 4.089 4.273 1.536 1.00 0.49 C ATOM 0 H THR B 109 5.872 0.905 2.865 1.00 0.32 H new ATOM 0 HA THR B 109 5.384 2.320 0.368 1.00 0.29 H new ATOM 0 HB THR B 109 5.126 3.397 3.180 1.00 0.39 H new ATOM 0 HG1 THR B 109 3.437 2.114 3.491 1.00 0.48 H new ATOM 0 HG21 THR B 109 3.325 4.732 2.164 1.00 0.49 H new ATOM 0 HG22 THR B 109 4.882 4.996 1.341 1.00 0.49 H new ATOM 0 HG23 THR B 109 3.643 3.961 0.592 1.00 0.49 H new ATOM 3423 N ASN B 110 7.558 3.532 0.255 1.00 0.35 N ATOM 3424 CA ASN B 110 8.803 4.282 0.136 1.00 0.40 C ATOM 3425 C ASN B 110 8.594 5.770 0.376 1.00 0.45 C ATOM 3426 O ASN B 110 8.640 6.571 -0.557 1.00 0.57 O ATOM 3427 CB ASN B 110 9.417 4.067 -1.248 1.00 0.53 C ATOM 3428 CG ASN B 110 9.608 2.599 -1.583 1.00 1.18 C ATOM 3429 OD1 ASN B 110 8.661 1.910 -1.962 1.00 1.84 O ATOM 3430 ND2 ASN B 110 10.834 2.113 -1.463 1.00 1.84 N ATOM 0 H ASN B 110 7.133 3.285 -0.639 1.00 0.35 H new ATOM 0 HA ASN B 110 9.482 3.910 0.903 1.00 0.40 H new ATOM 0 HB2 ASN B 110 8.776 4.527 -2.000 1.00 0.53 H new ATOM 0 HB3 ASN B 110 10.380 4.575 -1.296 1.00 0.53 H new ATOM 0 HD21 ASN B 110 11.019 1.136 -1.688 1.00 1.84 H new ATOM 0 HD22 ASN B 110 11.593 2.716 -1.146 1.00 1.84 H new ATOM 3437 N THR B 111 8.356 6.135 1.625 1.00 0.39 N ATOM 3438 CA THR B 111 8.164 7.529 1.977 1.00 0.41 C ATOM 3439 C THR B 111 9.511 8.242 2.054 1.00 0.38 C ATOM 3440 O THR B 111 10.201 8.189 3.076 1.00 0.43 O ATOM 3441 CB THR B 111 7.405 7.687 3.313 1.00 0.45 C ATOM 3442 OG1 THR B 111 7.953 6.817 4.315 1.00 0.50 O ATOM 3443 CG2 THR B 111 5.927 7.381 3.132 1.00 0.52 C ATOM 0 H THR B 111 8.292 5.486 2.409 1.00 0.39 H new ATOM 0 HA THR B 111 7.556 7.984 1.195 1.00 0.41 H new ATOM 0 HB THR B 111 7.518 8.721 3.638 1.00 0.45 H new ATOM 0 HG1 THR B 111 8.844 6.518 4.037 1.00 0.50 H new ATOM 0 HG21 THR B 111 5.412 7.498 4.085 1.00 0.52 H new ATOM 0 HG22 THR B 111 5.500 8.068 2.402 1.00 0.52 H new ATOM 0 HG23 THR B 111 5.808 6.357 2.779 1.00 0.52 H new ATOM 3451 N ASN B 112 9.900 8.866 0.950 1.00 0.36 N ATOM 3452 CA ASN B 112 11.160 9.593 0.884 1.00 0.36 C ATOM 3453 C ASN B 112 11.091 10.813 1.790 1.00 0.34 C ATOM 3454 O ASN B 112 10.141 11.594 1.713 1.00 0.37 O ATOM 3455 CB ASN B 112 11.453 10.018 -0.558 1.00 0.45 C ATOM 3456 CG ASN B 112 12.929 10.261 -0.817 1.00 0.39 C ATOM 3457 OD1 ASN B 112 13.697 9.321 -1.020 1.00 0.71 O ATOM 3458 ND2 ASN B 112 13.338 11.521 -0.842 1.00 0.42 N ATOM 0 H ASN B 112 9.359 8.883 0.086 1.00 0.36 H new ATOM 0 HA ASN B 112 11.967 8.942 1.221 1.00 0.36 H new ATOM 0 HB2 ASN B 112 11.093 9.247 -1.239 1.00 0.45 H new ATOM 0 HB3 ASN B 112 10.896 10.927 -0.783 1.00 0.45 H new ATOM 0 HD21 ASN B 112 14.316 11.736 -1.034 1.00 0.42 H new ATOM 0 HD22 ASN B 112 12.674 12.276 -0.669 1.00 0.42 H new ATOM 3465 N VAL B 113 12.085 10.962 2.657 1.00 0.36 N ATOM 3466 CA VAL B 113 12.126 12.084 3.587 1.00 0.44 C ATOM 3467 C VAL B 113 12.257 13.398 2.830 1.00 0.50 C ATOM 3468 O VAL B 113 11.588 14.381 3.150 1.00 0.78 O ATOM 3469 CB VAL B 113 13.287 11.943 4.595 1.00 0.52 C ATOM 3470 CG1 VAL B 113 13.233 13.042 5.648 1.00 0.98 C ATOM 3471 CG2 VAL B 113 13.253 10.572 5.251 1.00 0.83 C ATOM 0 H VAL B 113 12.874 10.320 2.736 1.00 0.36 H new ATOM 0 HA VAL B 113 11.190 12.081 4.145 1.00 0.44 H new ATOM 0 HB VAL B 113 14.225 12.046 4.050 1.00 0.52 H new ATOM 0 HG11 VAL B 113 14.062 12.919 6.345 1.00 0.98 H new ATOM 0 HG12 VAL B 113 13.308 14.015 5.163 1.00 0.98 H new ATOM 0 HG13 VAL B 113 12.290 12.980 6.191 1.00 0.98 H new ATOM 0 HG21 VAL B 113 14.077 10.487 5.959 1.00 0.83 H new ATOM 0 HG22 VAL B 113 12.307 10.444 5.778 1.00 0.83 H new ATOM 0 HG23 VAL B 113 13.350 9.801 4.487 1.00 0.83 H new ATOM 3481 N LYS B 114 13.122 13.407 1.828 1.00 0.66 N ATOM 3482 CA LYS B 114 13.326 14.589 1.011 1.00 0.80 C ATOM 3483 C LYS B 114 12.153 14.758 0.057 1.00 0.96 C ATOM 3484 O LYS B 114 11.932 13.854 -0.782 1.00 1.54 O ATOM 3485 CB LYS B 114 14.635 14.490 0.224 1.00 1.37 C ATOM 3486 CG LYS B 114 14.955 15.741 -0.576 1.00 1.56 C ATOM 3487 CD LYS B 114 16.141 15.527 -1.498 1.00 2.38 C ATOM 3488 CE LYS B 114 16.510 16.805 -2.232 1.00 2.81 C ATOM 3489 NZ LYS B 114 15.442 17.242 -3.171 1.00 3.21 N ATOM 3490 OXT LYS B 114 11.448 15.781 0.157 1.00 0.67 O ATOM 0 H LYS B 114 13.695 12.606 1.562 1.00 0.66 H new ATOM 0 HA LYS B 114 13.390 15.458 1.666 1.00 0.80 H new ATOM 0 HB2 LYS B 114 15.453 14.292 0.917 1.00 1.37 H new ATOM 0 HB3 LYS B 114 14.579 13.639 -0.454 1.00 1.37 H new ATOM 0 HG2 LYS B 114 14.084 16.030 -1.164 1.00 1.56 H new ATOM 0 HG3 LYS B 114 15.167 16.565 0.105 1.00 1.56 H new ATOM 0 HD2 LYS B 114 16.996 15.179 -0.919 1.00 2.38 H new ATOM 0 HD3 LYS B 114 15.906 14.746 -2.221 1.00 2.38 H new ATOM 0 HE2 LYS B 114 16.700 17.596 -1.507 1.00 2.81 H new ATOM 0 HE3 LYS B 114 17.436 16.650 -2.785 1.00 2.81 H new ATOM 0 HZ1 LYS B 114 15.789 18.036 -3.746 1.00 3.21 H new ATOM 0 HZ2 LYS B 114 15.182 16.451 -3.794 1.00 3.21 H new ATOM 0 HZ3 LYS B 114 14.607 17.545 -2.630 1.00 3.21 H new TER 3504 LYS B 114