USER MOD reduce.3.24.130724 H: found=0, std=0, add=1721, rem=0, adj=67 USER MOD reduce.3.24.130724 removed 1727 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 7 THR OG1 : rot -165:sc= 1.37 USER MOD Set 1.2: B 97 ASN : amide:sc= -1.7! C(o=-0.32!,f=-5.1!) USER MOD Set 2.1: B 16 HIS : no HE2:sc= 1.77 K(o=3.6,f=-16!) USER MOD Set 2.2: B 92 SER OG : rot -88:sc= 1.33 USER MOD Set 2.3: B 108 CYS SG : rot 123:sc= 0.516 USER MOD Set 3.1: B 73 SER OG : rot -82:sc= 1.19 USER MOD Set 3.2: B 91 SER OG : rot 180:sc= 1.02 USER MOD Set 4.1: B 35 TYR OH : rot 74:sc= 2.55 USER MOD Set 4.2: B 83 GLN : amide:sc= 0.956 K(o=3.5,f=-1.1) USER MOD Set 5.1: B 14 SER OG : rot -63:sc= 0.681 USER MOD Set 5.2: B 90 THR OG1 : rot -83:sc= 1.26 USER MOD Set 5.3: B 110 ASN : amide:sc= 0.863 K(o=2.8,f=-0.65) USER MOD Set 6.1: B 10 THR OG1 : rot 180:sc= 0.0922 USER MOD Set 6.2: B 112 ASN : amide:sc= 0.992 K(o=1.1,f=-5.4!) USER MOD Set 7.1: A 102 MET CE :methyl 145:sc= -0.368 (180deg=-2.6!) USER MOD Set 7.2: B 109 THR OG1 : rot 156:sc= 0.441 USER MOD Set 8.1: A 95 ASN : amide:sc= -0.505 K(o=2.1,f=-0.69!) USER MOD Set 8.2: A 97 GLN : amide:sc= 0.964 K(o=2.1,f=-0.57) USER MOD Set 8.3: A 99 GLN : amide:sc= 1.67 K(o=2.1,f=-1.8) USER MOD Set 9.1: A 65 GLN : amide:sc= 1.98 K(o=4.4,f=-2.5) USER MOD Set 9.2: A 88 THR OG1 : rot 110:sc= 0.574 USER MOD Set 9.3: B 70 GLN : amide:sc= 1.81 K(o=4.4,f=-2.5!) USER MOD Set10.1: A 86 GLN : amide:sc= 0.939 K(o=2,f=-1) USER MOD Set10.2: A 106 TYR OH : rot 27:sc= 1.08 USER MOD Set11.1: A 12 HIS : no HE2:sc= 1.03 K(o=5.7,f=0.044!) USER MOD Set11.2: A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set11.3: A 45 TYR OH : rot 52:sc= 0.438 USER MOD Set11.4: A 53 MET CE :methyl -177:sc= 0 (180deg=-0.0135) USER MOD Set11.5: A 68 SER OG : rot -150:sc= 0 USER MOD Set11.6: A 71 TYR OH : rot -128:sc= 1.3 USER MOD Set11.7: A 85 THR OG1 : rot -29:sc= 1.94 USER MOD Set11.8: A 103 CYS SG : rot 42:sc= 0.718 USER MOD Set11.9: A 105 ASN : amide:sc= 0.24 K(o=5.7,f=1.5) USER MOD Set12.1: A 13 SER OG : rot 140:sc= 1.04 USER MOD Set12.2: A 19 THR OG1 : rot -121:sc= 1.09 USER MOD Single : A 6 LYS NZ :NH3+ -144:sc= 1.22 (180deg=-0.058!) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl -162:sc= -0.057 (180deg=-0.395) USER MOD Single : A 17 LYS NZ :NH3+ -164:sc= 1.21 (180deg=1.07) USER MOD Single : A 20 TYR OH : rot -15:sc= -2.82! USER MOD Single : A 21 CYS SG : rot 126:sc= -3.07! USER MOD Single : A 26 THR OG1 : rot 91:sc= -0.193 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HD1:sc= -1.66 X(o=-1.7,f=-2!) USER MOD Single : A 40 SER OG : rot 95:sc= 1.29 USER MOD Single : A 42 TYR OH : rot 126:sc= 0.689 USER MOD Single : A 46 HIS : +bothHN:sc= -2.75 K(o=-2.8,f=-14!) USER MOD Single : A 50 SER OG : rot -69:sc= 1.25 USER MOD Single : A 52 ASN : amide:sc= -0.694 K(o=-0.69,f=-2.4!) USER MOD Single : A 54 THR OG1 : rot 55:sc= 0.539 USER MOD Single : A 55 LYS NZ :NH3+ 171:sc= 1.27 (180deg=1.24) USER MOD Single : A 56 SER OG : rot 180:sc= -0.0128 USER MOD Single : A 57 HIS : no HD1:sc= -0.021 X(o=-0.021,f=-0.0063) USER MOD Single : A 58 GLN : amide:sc= -0.0887 X(o=-0.089,f=-0.48) USER MOD Single : A 59 ASN : amide:sc= -0.34 K(o=-0.34,f=-2.5) USER MOD Single : A 61 CYS SG : rot 75:sc= 1.07 USER MOD Single : A 62 THR OG1 : rot 85:sc= 1.05 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 GLN : amide:sc= 1.17 K(o=1.2,f=0.61) USER MOD Single : A 73 MET CE :methyl -146:sc= 0 (180deg=-0.511) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 HIS :FLIP no HE2:sc= -0.0164 F(o=-1.5!,f=-0.016) USER MOD Single : A 80 TYR OH : rot 180:sc= 0.968 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= -0.499 K(o=-0.5,f=-10!) USER MOD Single : A 100 CYS SG : rot 108:sc= 0.767 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : B 7 CYS SG : rot 180:sc= 0 USER MOD Single : B 8 GLN : amide:sc= 1.31 K(o=1.3,f=-3.2!) USER MOD Single : B 17 ASN : amide:sc= 0.0269 K(o=0.027,f=-7.6!) USER MOD Single : B 23 THR OG1 : rot 180:sc= 0.0195 USER MOD Single : B 27 HIS : +bothHN:sc= 1.77 K(o=1.8,f=-7.7!) USER MOD Single : B 29 CYS SG : rot -91:sc= -0.668! USER MOD Single : B 32 THR OG1 : rot 89:sc= 1.14 USER MOD Single : B 36 GLN : amide:sc= -0.446 X(o=-0.45,f=-0.08) USER MOD Single : B 38 GLN : amide:sc= 0.823 K(o=0.82,f=-6.1!) USER MOD Single : B 43 LYS NZ :NH3+ 156:sc= 0.909 (180deg=0.213!) USER MOD Single : B 44 ASN : amide:sc= 0.00163 X(o=0.0016,f=-0.029) USER MOD Single : B 49 CYS SG : rot 70:sc= -1.3! USER MOD Single : B 50 HIS : no HE2:sc= -0.26 K(o=-0.26,f=-5.3!) USER MOD Single : B 54 GLN : amide:sc= 1.09 K(o=1.1,f=-0.54) USER MOD Single : B 55 GLN : amide:sc= -0.528 K(o=-0.53,f=-3!) USER MOD Single : B 60 SER OG : rot 90:sc= 1.3 USER MOD Single : B 62 GLN :FLIP amide:sc= -0.0643 F(o=-0.71,f=-0.064) USER MOD Single : B 63 GLN : amide:sc= 0.78 K(o=0.78,f=-0.0088) USER MOD Single : B 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 68 LYS NZ :NH3+ 171:sc= 1.2 (180deg=0.917) USER MOD Single : B 75 MET CE :methyl -119:sc= -0.158 (180deg=-0.642) USER MOD Single : B 80 SER OG : rot 180:sc=-0.00474 USER MOD Single : B 81 LYS NZ :NH3+ 167:sc= 0.543 (180deg=0.212!) USER MOD Single : B 82 ASN : amide:sc= 1.15 K(o=1.2,f=-0.52) USER MOD Single : B 88 MET CE :methyl 149:sc= -0.188 (180deg=-0.835) USER MOD Single : B 94 THR OG1 : rot -109:sc= 1.27 USER MOD Single : B 96 GLN : amide:sc= -1.18! C(o=-1.2!,f=-3.6!) USER MOD Single : B 99 TYR OH : rot -177:sc= 1.18 USER MOD Single : B 100 SER OG : rot 69:sc= 1.23 USER MOD Single : B 105 TYR OH : rot -110:sc= 1.09 USER MOD Single : B 111 THR OG1 : rot 79:sc= 0.826 USER MOD Single : B 114 LYS NZ :NH3+ -170:sc= 1.24 (180deg=1.15) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 6 -9.907 12.058 5.003 1.00 0.00 N ATOM 2 CA LYS A 6 -8.567 11.580 4.595 1.00 0.00 C ATOM 3 C LYS A 6 -8.668 10.212 3.934 1.00 0.00 C ATOM 4 O LYS A 6 -9.678 9.523 4.065 1.00 0.00 O ATOM 5 CB LYS A 6 -7.631 11.519 5.808 1.00 0.00 C ATOM 6 CG LYS A 6 -8.054 10.511 6.863 1.00 0.00 C ATOM 7 CD LYS A 6 -7.338 10.749 8.181 1.00 0.00 C ATOM 8 CE LYS A 6 -7.790 9.760 9.244 1.00 0.00 C ATOM 9 NZ LYS A 6 -7.227 10.082 10.579 1.00 0.00 N ATOM 0 HA LYS A 6 -8.154 12.283 3.872 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -6.626 11.272 5.467 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -7.579 12.507 6.264 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -9.131 10.574 7.017 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -7.841 9.502 6.509 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -6.262 10.660 8.033 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -7.530 11.766 8.523 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -8.879 9.760 9.300 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -7.486 8.754 8.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -7.013 9.200 11.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -6.354 10.635 10.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -7.919 10.636 11.123 1.00 0.00 H new ATOM 25 N THR A 7 -7.624 9.835 3.214 1.00 0.00 N ATOM 26 CA THR A 7 -7.585 8.559 2.518 1.00 0.00 C ATOM 27 C THR A 7 -6.929 7.478 3.373 1.00 0.00 C ATOM 28 O THR A 7 -6.383 7.771 4.440 1.00 0.00 O ATOM 29 CB THR A 7 -6.799 8.708 1.208 1.00 0.00 C ATOM 30 OG1 THR A 7 -5.712 9.620 1.403 1.00 0.00 O ATOM 31 CG2 THR A 7 -7.695 9.221 0.100 1.00 0.00 C ATOM 0 H THR A 7 -6.784 10.401 3.096 1.00 0.00 H new ATOM 0 HA THR A 7 -8.612 8.260 2.310 1.00 0.00 H new ATOM 0 HB THR A 7 -6.415 7.729 0.921 1.00 0.00 H new ATOM 0 HG1 THR A 7 -5.355 9.894 0.533 1.00 0.00 H new ATOM 0 HG21 THR A 7 -7.117 9.319 -0.819 1.00 0.00 H new ATOM 0 HG22 THR A 7 -8.514 8.520 -0.059 1.00 0.00 H new ATOM 0 HG23 THR A 7 -8.099 10.194 0.380 1.00 0.00 H new ATOM 39 N PHE A 8 -6.995 6.231 2.907 1.00 0.00 N ATOM 40 CA PHE A 8 -6.381 5.112 3.611 1.00 0.00 C ATOM 41 C PHE A 8 -5.960 4.028 2.618 1.00 0.00 C ATOM 42 O PHE A 8 -6.628 3.804 1.604 1.00 0.00 O ATOM 43 CB PHE A 8 -7.314 4.555 4.699 1.00 0.00 C ATOM 44 CG PHE A 8 -8.581 3.907 4.205 1.00 0.00 C ATOM 45 CD1 PHE A 8 -9.702 4.668 3.921 1.00 0.00 C ATOM 46 CD2 PHE A 8 -8.654 2.531 4.055 1.00 0.00 C ATOM 47 CE1 PHE A 8 -10.871 4.070 3.491 1.00 0.00 C ATOM 48 CE2 PHE A 8 -9.822 1.927 3.629 1.00 0.00 C ATOM 49 CZ PHE A 8 -10.931 2.697 3.347 1.00 0.00 C ATOM 0 H PHE A 8 -7.470 5.973 2.042 1.00 0.00 H new ATOM 0 HA PHE A 8 -5.485 5.473 4.116 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -6.760 3.824 5.288 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -7.583 5.369 5.373 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -9.662 5.741 4.037 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -7.788 1.924 4.274 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -11.737 4.675 3.268 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -9.866 0.854 3.517 1.00 0.00 H new ATOM 0 HZ PHE A 8 -11.845 2.228 3.014 1.00 0.00 H new ATOM 59 N LEU A 9 -4.844 3.368 2.905 1.00 0.00 N ATOM 60 CA LEU A 9 -4.307 2.334 2.027 1.00 0.00 C ATOM 61 C LEU A 9 -4.603 0.931 2.561 1.00 0.00 C ATOM 62 O LEU A 9 -4.386 0.640 3.734 1.00 0.00 O ATOM 63 CB LEU A 9 -2.789 2.537 1.871 1.00 0.00 C ATOM 64 CG LEU A 9 -2.090 1.725 0.765 1.00 0.00 C ATOM 65 CD1 LEU A 9 -1.654 0.359 1.277 1.00 0.00 C ATOM 66 CD2 LEU A 9 -2.988 1.574 -0.454 1.00 0.00 C ATOM 0 H LEU A 9 -4.290 3.532 3.745 1.00 0.00 H new ATOM 0 HA LEU A 9 -4.793 2.421 1.055 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -2.605 3.595 1.683 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -2.314 2.295 2.822 1.00 0.00 H new ATOM 0 HG LEU A 9 -1.199 2.277 0.467 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -1.164 -0.191 0.474 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -0.959 0.486 2.107 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.527 -0.198 1.618 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -2.469 0.997 -1.219 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -3.905 1.058 -0.169 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -3.235 2.560 -0.849 1.00 0.00 H new ATOM 78 N SER A 10 -5.108 0.071 1.688 1.00 0.00 N ATOM 79 CA SER A 10 -5.414 -1.304 2.050 1.00 0.00 C ATOM 80 C SER A 10 -4.837 -2.262 1.010 1.00 0.00 C ATOM 81 O SER A 10 -4.567 -1.866 -0.124 1.00 0.00 O ATOM 82 CB SER A 10 -6.928 -1.494 2.162 1.00 0.00 C ATOM 83 OG SER A 10 -7.507 -0.468 2.950 1.00 0.00 O ATOM 0 H SER A 10 -5.315 0.305 0.717 1.00 0.00 H new ATOM 0 HA SER A 10 -4.961 -1.523 3.017 1.00 0.00 H new ATOM 0 HB2 SER A 10 -7.374 -1.490 1.167 1.00 0.00 H new ATOM 0 HB3 SER A 10 -7.145 -2.466 2.605 1.00 0.00 H new ATOM 0 HG SER A 10 -8.475 -0.607 3.008 1.00 0.00 H new ATOM 89 N ARG A 11 -4.623 -3.514 1.396 1.00 0.00 N ATOM 90 CA ARG A 11 -4.084 -4.513 0.476 1.00 0.00 C ATOM 91 C ARG A 11 -5.057 -5.682 0.350 1.00 0.00 C ATOM 92 O ARG A 11 -5.587 -6.169 1.351 1.00 0.00 O ATOM 93 CB ARG A 11 -2.713 -5.013 0.953 1.00 0.00 C ATOM 94 CG ARG A 11 -1.711 -3.896 1.205 1.00 0.00 C ATOM 95 CD ARG A 11 -0.539 -3.930 0.227 1.00 0.00 C ATOM 96 NE ARG A 11 0.414 -5.014 0.505 1.00 0.00 N ATOM 97 CZ ARG A 11 1.083 -5.176 1.656 1.00 0.00 C ATOM 98 NH1 ARG A 11 0.934 -4.313 2.656 1.00 0.00 N ATOM 99 NH2 ARG A 11 1.926 -6.189 1.786 1.00 0.00 N ATOM 0 H ARG A 11 -4.813 -3.863 2.336 1.00 0.00 H new ATOM 0 HA ARG A 11 -3.955 -4.048 -0.501 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -2.844 -5.586 1.871 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -2.305 -5.695 0.207 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -2.217 -2.934 1.127 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -1.332 -3.975 2.224 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -0.923 -4.043 -0.787 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -0.015 -2.975 0.264 1.00 0.00 H new ATOM 0 HE ARG A 11 0.579 -5.696 -0.235 1.00 0.00 H new ATOM 0 HH11 ARG A 11 0.305 -3.517 2.553 1.00 0.00 H new ATOM 0 HH12 ARG A 11 1.448 -4.447 3.526 1.00 0.00 H new ATOM 0 HH21 ARG A 11 2.063 -6.840 1.013 1.00 0.00 H new ATOM 0 HH22 ARG A 11 2.438 -6.318 2.659 1.00 0.00 H new ATOM 113 N HIS A 12 -5.306 -6.114 -0.881 1.00 0.00 N ATOM 114 CA HIS A 12 -6.222 -7.222 -1.138 1.00 0.00 C ATOM 115 C HIS A 12 -5.543 -8.295 -1.976 1.00 0.00 C ATOM 116 O HIS A 12 -5.103 -8.030 -3.088 1.00 0.00 O ATOM 117 CB HIS A 12 -7.472 -6.729 -1.869 1.00 0.00 C ATOM 118 CG HIS A 12 -8.464 -6.031 -0.991 1.00 0.00 C ATOM 119 ND1 HIS A 12 -8.692 -6.377 0.321 1.00 0.00 N ATOM 120 CD2 HIS A 12 -9.310 -5.010 -1.260 1.00 0.00 C ATOM 121 CE1 HIS A 12 -9.635 -5.600 0.821 1.00 0.00 C ATOM 122 NE2 HIS A 12 -10.030 -4.760 -0.119 1.00 0.00 N ATOM 0 H HIS A 12 -4.886 -5.713 -1.720 1.00 0.00 H new ATOM 0 HA HIS A 12 -6.511 -7.646 -0.176 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -7.169 -6.050 -2.666 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -7.960 -7.580 -2.344 1.00 0.00 H new ATOM 0 HD1 HIS A 12 -8.208 -7.118 0.828 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -9.402 -4.487 -2.201 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -10.019 -5.644 1.829 1.00 0.00 H new ATOM 131 N SER A 13 -5.464 -9.503 -1.449 1.00 0.00 N ATOM 132 CA SER A 13 -4.831 -10.596 -2.168 1.00 0.00 C ATOM 133 C SER A 13 -5.652 -11.875 -2.057 1.00 0.00 C ATOM 134 O SER A 13 -6.607 -11.939 -1.279 1.00 0.00 O ATOM 135 CB SER A 13 -3.423 -10.822 -1.623 1.00 0.00 C ATOM 136 OG SER A 13 -3.402 -10.669 -0.216 1.00 0.00 O ATOM 0 H SER A 13 -5.828 -9.753 -0.530 1.00 0.00 H new ATOM 0 HA SER A 13 -4.772 -10.328 -3.223 1.00 0.00 H new ATOM 0 HB2 SER A 13 -3.080 -11.821 -1.891 1.00 0.00 H new ATOM 0 HB3 SER A 13 -2.732 -10.114 -2.081 1.00 0.00 H new ATOM 0 HG SER A 13 -2.822 -11.354 0.179 1.00 0.00 H new ATOM 142 N MET A 14 -5.271 -12.880 -2.848 1.00 0.00 N ATOM 143 CA MET A 14 -5.936 -14.187 -2.869 1.00 0.00 C ATOM 144 C MET A 14 -7.434 -14.060 -3.161 1.00 0.00 C ATOM 145 O MET A 14 -7.839 -13.925 -4.318 1.00 0.00 O ATOM 146 CB MET A 14 -5.708 -14.934 -1.549 1.00 0.00 C ATOM 147 CG MET A 14 -6.062 -16.412 -1.614 1.00 0.00 C ATOM 148 SD MET A 14 -5.703 -17.278 -0.073 1.00 0.00 S ATOM 149 CE MET A 14 -3.911 -17.251 -0.074 1.00 0.00 C ATOM 0 H MET A 14 -4.487 -12.811 -3.497 1.00 0.00 H new ATOM 0 HA MET A 14 -5.491 -14.764 -3.679 1.00 0.00 H new ATOM 0 HB2 MET A 14 -4.662 -14.832 -1.260 1.00 0.00 H new ATOM 0 HB3 MET A 14 -6.302 -14.461 -0.767 1.00 0.00 H new ATOM 0 HG2 MET A 14 -7.121 -16.518 -1.848 1.00 0.00 H new ATOM 0 HG3 MET A 14 -5.507 -16.880 -2.427 1.00 0.00 H new ATOM 0 HE1 MET A 14 -3.535 -18.003 0.620 1.00 0.00 H new ATOM 0 HE2 MET A 14 -3.544 -17.468 -1.077 1.00 0.00 H new ATOM 0 HE3 MET A 14 -3.562 -16.266 0.235 1.00 0.00 H new ATOM 159 N ASP A 15 -8.247 -14.085 -2.112 1.00 0.00 N ATOM 160 CA ASP A 15 -9.696 -13.982 -2.244 1.00 0.00 C ATOM 161 C ASP A 15 -10.152 -12.554 -1.979 1.00 0.00 C ATOM 162 O ASP A 15 -11.289 -12.319 -1.565 1.00 0.00 O ATOM 163 CB ASP A 15 -10.383 -14.947 -1.270 1.00 0.00 C ATOM 164 CG ASP A 15 -10.088 -14.622 0.184 1.00 0.00 C ATOM 165 OD1 ASP A 15 -8.898 -14.626 0.570 1.00 0.00 O ATOM 166 OD2 ASP A 15 -11.043 -14.370 0.948 1.00 0.00 O ATOM 0 H ASP A 15 -7.923 -14.177 -1.149 1.00 0.00 H new ATOM 0 HA ASP A 15 -9.974 -14.252 -3.263 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -11.460 -14.916 -1.434 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -10.057 -15.965 -1.484 1.00 0.00 H new ATOM 171 N MET A 16 -9.244 -11.611 -2.228 1.00 0.00 N ATOM 172 CA MET A 16 -9.496 -10.185 -2.030 1.00 0.00 C ATOM 173 C MET A 16 -9.625 -9.877 -0.541 1.00 0.00 C ATOM 174 O MET A 16 -10.295 -8.925 -0.140 1.00 0.00 O ATOM 175 CB MET A 16 -10.748 -9.730 -2.797 1.00 0.00 C ATOM 176 CG MET A 16 -10.807 -8.230 -3.039 1.00 0.00 C ATOM 177 SD MET A 16 -12.215 -7.742 -4.056 1.00 0.00 S ATOM 178 CE MET A 16 -11.969 -5.969 -4.147 1.00 0.00 C ATOM 0 H MET A 16 -8.307 -11.817 -2.575 1.00 0.00 H new ATOM 0 HA MET A 16 -8.648 -9.628 -2.428 1.00 0.00 H new ATOM 0 HB2 MET A 16 -10.782 -10.245 -3.757 1.00 0.00 H new ATOM 0 HB3 MET A 16 -11.634 -10.034 -2.240 1.00 0.00 H new ATOM 0 HG2 MET A 16 -10.860 -7.714 -2.081 1.00 0.00 H new ATOM 0 HG3 MET A 16 -9.885 -7.908 -3.524 1.00 0.00 H new ATOM 0 HE1 MET A 16 -12.763 -5.522 -4.745 1.00 0.00 H new ATOM 0 HE2 MET A 16 -11.990 -5.547 -3.142 1.00 0.00 H new ATOM 0 HE3 MET A 16 -11.004 -5.759 -4.609 1.00 0.00 H new ATOM 188 N LYS A 17 -8.951 -10.683 0.274 1.00 0.00 N ATOM 189 CA LYS A 17 -8.974 -10.507 1.718 1.00 0.00 C ATOM 190 C LYS A 17 -8.095 -9.330 2.127 1.00 0.00 C ATOM 191 O LYS A 17 -7.480 -8.679 1.281 1.00 0.00 O ATOM 192 CB LYS A 17 -8.511 -11.783 2.430 1.00 0.00 C ATOM 193 CG LYS A 17 -7.161 -12.307 1.959 1.00 0.00 C ATOM 194 CD LYS A 17 -6.458 -13.115 3.044 1.00 0.00 C ATOM 195 CE LYS A 17 -7.397 -14.097 3.733 1.00 0.00 C ATOM 196 NZ LYS A 17 -7.754 -15.251 2.864 1.00 0.00 N ATOM 0 H LYS A 17 -8.381 -11.466 -0.045 1.00 0.00 H new ATOM 0 HA LYS A 17 -10.001 -10.298 2.016 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -8.459 -11.589 3.501 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -9.261 -12.560 2.283 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -7.301 -12.929 1.075 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -6.529 -11.470 1.662 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -5.624 -13.661 2.604 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -6.038 -12.435 3.786 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -6.927 -14.465 4.645 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -8.307 -13.576 4.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -8.585 -15.737 3.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -7.973 -14.910 1.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -6.954 -15.914 2.821 1.00 0.00 H new ATOM 210 N PHE A 18 -8.041 -9.052 3.420 1.00 0.00 N ATOM 211 CA PHE A 18 -7.241 -7.949 3.929 1.00 0.00 C ATOM 212 C PHE A 18 -5.871 -8.427 4.393 1.00 0.00 C ATOM 213 O PHE A 18 -5.736 -9.011 5.470 1.00 0.00 O ATOM 214 CB PHE A 18 -7.959 -7.248 5.082 1.00 0.00 C ATOM 215 CG PHE A 18 -8.837 -6.108 4.653 1.00 0.00 C ATOM 216 CD1 PHE A 18 -8.284 -4.885 4.308 1.00 0.00 C ATOM 217 CD2 PHE A 18 -10.214 -6.256 4.605 1.00 0.00 C ATOM 218 CE1 PHE A 18 -9.088 -3.830 3.921 1.00 0.00 C ATOM 219 CE2 PHE A 18 -11.022 -5.203 4.220 1.00 0.00 C ATOM 220 CZ PHE A 18 -10.459 -3.989 3.878 1.00 0.00 C ATOM 0 H PHE A 18 -8.543 -9.576 4.137 1.00 0.00 H new ATOM 0 HA PHE A 18 -7.102 -7.242 3.111 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -8.566 -7.979 5.616 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -7.215 -6.875 5.786 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -7.212 -4.755 4.342 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -10.660 -7.203 4.871 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -8.645 -2.882 3.653 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -12.094 -5.329 4.187 1.00 0.00 H new ATOM 0 HZ PHE A 18 -11.090 -3.166 3.577 1.00 0.00 H new ATOM 230 N THR A 19 -4.864 -8.202 3.562 1.00 0.00 N ATOM 231 CA THR A 19 -3.501 -8.577 3.898 1.00 0.00 C ATOM 232 C THR A 19 -2.857 -7.474 4.727 1.00 0.00 C ATOM 233 O THR A 19 -1.887 -7.693 5.453 1.00 0.00 O ATOM 234 CB THR A 19 -2.671 -8.811 2.628 1.00 0.00 C ATOM 235 OG1 THR A 19 -3.490 -8.581 1.470 1.00 0.00 O ATOM 236 CG2 THR A 19 -2.117 -10.226 2.601 1.00 0.00 C ATOM 0 H THR A 19 -4.967 -7.760 2.648 1.00 0.00 H new ATOM 0 HA THR A 19 -3.530 -9.503 4.472 1.00 0.00 H new ATOM 0 HB THR A 19 -1.832 -8.115 2.624 1.00 0.00 H new ATOM 0 HG1 THR A 19 -3.515 -9.392 0.920 1.00 0.00 H new ATOM 0 HG21 THR A 19 -1.532 -10.370 1.693 1.00 0.00 H new ATOM 0 HG22 THR A 19 -1.480 -10.384 3.472 1.00 0.00 H new ATOM 0 HG23 THR A 19 -2.941 -10.940 2.619 1.00 0.00 H new ATOM 244 N TYR A 20 -3.417 -6.281 4.596 1.00 0.00 N ATOM 245 CA TYR A 20 -2.952 -5.110 5.317 1.00 0.00 C ATOM 246 C TYR A 20 -4.039 -4.048 5.297 1.00 0.00 C ATOM 247 O TYR A 20 -4.655 -3.800 4.255 1.00 0.00 O ATOM 248 CB TYR A 20 -1.656 -4.559 4.705 1.00 0.00 C ATOM 249 CG TYR A 20 -1.314 -3.160 5.176 1.00 0.00 C ATOM 250 CD1 TYR A 20 -0.788 -2.938 6.444 1.00 0.00 C ATOM 251 CD2 TYR A 20 -1.540 -2.060 4.357 1.00 0.00 C ATOM 252 CE1 TYR A 20 -0.495 -1.658 6.878 1.00 0.00 C ATOM 253 CE2 TYR A 20 -1.252 -0.780 4.787 1.00 0.00 C ATOM 254 CZ TYR A 20 -0.732 -0.585 6.046 1.00 0.00 C ATOM 255 OH TYR A 20 -0.450 0.690 6.477 1.00 0.00 O ATOM 0 H TYR A 20 -4.211 -6.099 3.983 1.00 0.00 H new ATOM 0 HA TYR A 20 -2.735 -5.394 6.347 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -0.833 -5.229 4.953 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -1.749 -4.556 3.619 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -0.606 -3.777 7.099 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -1.948 -2.209 3.368 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -0.083 -1.500 7.864 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -1.434 0.064 4.138 1.00 0.00 H new ATOM 0 HH TYR A 20 -0.324 0.686 7.449 1.00 0.00 H new ATOM 265 N CYS A 21 -4.278 -3.438 6.444 1.00 0.00 N ATOM 266 CA CYS A 21 -5.287 -2.403 6.562 1.00 0.00 C ATOM 267 C CYS A 21 -4.664 -1.141 7.137 1.00 0.00 C ATOM 268 O CYS A 21 -3.774 -1.215 7.985 1.00 0.00 O ATOM 269 CB CYS A 21 -6.425 -2.885 7.460 1.00 0.00 C ATOM 270 SG CYS A 21 -6.522 -4.684 7.615 1.00 0.00 S ATOM 0 H CYS A 21 -3.783 -3.644 7.312 1.00 0.00 H new ATOM 0 HA CYS A 21 -5.690 -2.181 5.574 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -6.301 -2.451 8.452 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -7.370 -2.512 7.064 1.00 0.00 H new ATOM 0 HG CYS A 21 -6.498 -5.013 8.872 1.00 0.00 H new ATOM 276 N ASP A 22 -5.118 0.005 6.656 1.00 0.00 N ATOM 277 CA ASP A 22 -4.614 1.290 7.124 1.00 0.00 C ATOM 278 C ASP A 22 -5.067 1.540 8.555 1.00 0.00 C ATOM 279 O ASP A 22 -6.105 1.038 8.979 1.00 0.00 O ATOM 280 CB ASP A 22 -5.124 2.410 6.218 1.00 0.00 C ATOM 281 CG ASP A 22 -4.307 3.683 6.326 1.00 0.00 C ATOM 282 OD1 ASP A 22 -4.295 4.296 7.413 1.00 0.00 O ATOM 283 OD2 ASP A 22 -3.695 4.083 5.314 1.00 0.00 O ATOM 0 H ASP A 22 -5.839 0.073 5.938 1.00 0.00 H new ATOM 0 HA ASP A 22 -3.525 1.273 7.095 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -5.113 2.066 5.184 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -6.162 2.629 6.470 1.00 0.00 H new ATOM 288 N ASP A 23 -4.304 2.332 9.290 1.00 0.00 N ATOM 289 CA ASP A 23 -4.637 2.638 10.674 1.00 0.00 C ATOM 290 C ASP A 23 -5.762 3.665 10.736 1.00 0.00 C ATOM 291 O ASP A 23 -6.384 3.863 11.781 1.00 0.00 O ATOM 292 CB ASP A 23 -3.403 3.147 11.435 1.00 0.00 C ATOM 293 CG ASP A 23 -3.085 4.610 11.169 1.00 0.00 C ATOM 294 OD1 ASP A 23 -3.615 5.480 11.893 1.00 0.00 O ATOM 295 OD2 ASP A 23 -2.280 4.894 10.255 1.00 0.00 O ATOM 0 H ASP A 23 -3.450 2.775 8.953 1.00 0.00 H new ATOM 0 HA ASP A 23 -4.977 1.720 11.153 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -3.562 3.007 12.504 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -2.540 2.540 11.159 1.00 0.00 H new ATOM 300 N ARG A 24 -6.029 4.300 9.603 1.00 0.00 N ATOM 301 CA ARG A 24 -7.076 5.308 9.509 1.00 0.00 C ATOM 302 C ARG A 24 -8.451 4.675 9.311 1.00 0.00 C ATOM 303 O ARG A 24 -9.476 5.340 9.462 1.00 0.00 O ATOM 304 CB ARG A 24 -6.779 6.255 8.347 1.00 0.00 C ATOM 305 CG ARG A 24 -5.473 7.017 8.502 1.00 0.00 C ATOM 306 CD ARG A 24 -4.896 7.417 7.155 1.00 0.00 C ATOM 307 NE ARG A 24 -3.845 8.418 7.295 1.00 0.00 N ATOM 308 CZ ARG A 24 -3.731 9.489 6.516 1.00 0.00 C ATOM 309 NH1 ARG A 24 -4.537 9.642 5.472 1.00 0.00 N ATOM 310 NH2 ARG A 24 -2.793 10.393 6.764 1.00 0.00 N ATOM 0 H ARG A 24 -5.530 4.133 8.729 1.00 0.00 H new ATOM 0 HA ARG A 24 -7.090 5.862 10.448 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -6.748 5.681 7.421 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -7.597 6.969 8.252 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -5.641 7.909 9.106 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -4.752 6.400 9.038 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -4.495 6.536 6.655 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -5.691 7.810 6.521 1.00 0.00 H new ATOM 0 HE ARG A 24 -3.156 8.289 8.036 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -5.245 8.937 5.267 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -4.448 10.464 4.875 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -2.159 10.267 7.553 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -2.706 11.215 6.166 1.00 0.00 H new ATOM 324 N ILE A 25 -8.480 3.384 8.991 1.00 0.00 N ATOM 325 CA ILE A 25 -9.746 2.694 8.762 1.00 0.00 C ATOM 326 C ILE A 25 -10.558 2.585 10.057 1.00 0.00 C ATOM 327 O ILE A 25 -11.787 2.488 10.025 1.00 0.00 O ATOM 328 CB ILE A 25 -9.533 1.293 8.131 1.00 0.00 C ATOM 329 CG1 ILE A 25 -10.831 0.797 7.488 1.00 0.00 C ATOM 330 CG2 ILE A 25 -9.038 0.292 9.163 1.00 0.00 C ATOM 331 CD1 ILE A 25 -10.667 -0.472 6.676 1.00 0.00 C ATOM 0 H ILE A 25 -7.651 2.800 8.885 1.00 0.00 H new ATOM 0 HA ILE A 25 -10.313 3.294 8.050 1.00 0.00 H new ATOM 0 HB ILE A 25 -8.768 1.385 7.360 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -11.570 0.623 8.271 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -11.228 1.581 6.843 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -8.899 -0.680 8.690 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -8.089 0.634 9.576 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -9.771 0.203 9.965 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -11.629 -0.760 6.253 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -9.953 -0.299 5.870 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -10.300 -1.271 7.320 1.00 0.00 H new ATOM 343 N THR A 26 -9.870 2.646 11.192 1.00 0.00 N ATOM 344 CA THR A 26 -10.520 2.564 12.492 1.00 0.00 C ATOM 345 C THR A 26 -11.362 3.809 12.765 1.00 0.00 C ATOM 346 O THR A 26 -12.335 3.765 13.520 1.00 0.00 O ATOM 347 CB THR A 26 -9.474 2.420 13.610 1.00 0.00 C ATOM 348 OG1 THR A 26 -8.308 1.760 13.103 1.00 0.00 O ATOM 349 CG2 THR A 26 -10.038 1.636 14.783 1.00 0.00 C ATOM 0 H THR A 26 -8.857 2.753 11.236 1.00 0.00 H new ATOM 0 HA THR A 26 -11.168 1.688 12.478 1.00 0.00 H new ATOM 0 HB THR A 26 -9.206 3.417 13.959 1.00 0.00 H new ATOM 0 HG1 THR A 26 -7.676 2.427 12.762 1.00 0.00 H new ATOM 0 HG21 THR A 26 -9.279 1.548 15.560 1.00 0.00 H new ATOM 0 HG22 THR A 26 -10.909 2.156 15.183 1.00 0.00 H new ATOM 0 HG23 THR A 26 -10.332 0.641 14.448 1.00 0.00 H new ATOM 357 N GLU A 27 -10.989 4.913 12.132 1.00 0.00 N ATOM 358 CA GLU A 27 -11.684 6.179 12.319 1.00 0.00 C ATOM 359 C GLU A 27 -12.726 6.413 11.229 1.00 0.00 C ATOM 360 O GLU A 27 -13.610 7.258 11.371 1.00 0.00 O ATOM 361 CB GLU A 27 -10.666 7.323 12.324 1.00 0.00 C ATOM 362 CG GLU A 27 -9.410 7.012 13.125 1.00 0.00 C ATOM 363 CD GLU A 27 -8.307 8.024 12.905 1.00 0.00 C ATOM 364 OE1 GLU A 27 -7.513 7.851 11.959 1.00 0.00 O ATOM 365 OE2 GLU A 27 -8.230 9.002 13.677 1.00 0.00 O ATOM 0 H GLU A 27 -10.205 4.957 11.481 1.00 0.00 H new ATOM 0 HA GLU A 27 -12.207 6.144 13.275 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -10.385 7.553 11.296 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -11.137 8.217 12.734 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -9.660 6.979 14.185 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -9.047 6.021 12.852 1.00 0.00 H new ATOM 372 N LEU A 28 -12.626 5.659 10.144 1.00 0.00 N ATOM 373 CA LEU A 28 -13.555 5.811 9.030 1.00 0.00 C ATOM 374 C LEU A 28 -14.607 4.704 9.005 1.00 0.00 C ATOM 375 O LEU A 28 -15.804 4.976 8.911 1.00 0.00 O ATOM 376 CB LEU A 28 -12.782 5.835 7.713 1.00 0.00 C ATOM 377 CG LEU A 28 -11.950 7.100 7.481 1.00 0.00 C ATOM 378 CD1 LEU A 28 -10.788 6.819 6.543 1.00 0.00 C ATOM 379 CD2 LEU A 28 -12.824 8.216 6.927 1.00 0.00 C ATOM 0 H LEU A 28 -11.916 4.939 10.010 1.00 0.00 H new ATOM 0 HA LEU A 28 -14.083 6.755 9.163 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -12.119 4.970 7.681 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -13.489 5.726 6.891 1.00 0.00 H new ATOM 0 HG LEU A 28 -11.542 7.421 8.440 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -10.212 7.732 6.394 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -10.147 6.052 6.978 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -11.171 6.470 5.584 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -12.218 9.108 6.768 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -13.261 7.900 5.980 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -13.620 8.441 7.636 1.00 0.00 H new ATOM 391 N ILE A 29 -14.159 3.459 9.084 1.00 0.00 N ATOM 392 CA ILE A 29 -15.068 2.318 9.059 1.00 0.00 C ATOM 393 C ILE A 29 -15.390 1.857 10.478 1.00 0.00 C ATOM 394 O ILE A 29 -16.520 1.468 10.779 1.00 0.00 O ATOM 395 CB ILE A 29 -14.471 1.144 8.241 1.00 0.00 C ATOM 396 CG1 ILE A 29 -14.359 1.531 6.762 1.00 0.00 C ATOM 397 CG2 ILE A 29 -15.304 -0.122 8.399 1.00 0.00 C ATOM 398 CD1 ILE A 29 -15.673 1.962 6.140 1.00 0.00 C ATOM 0 H ILE A 29 -13.173 3.212 9.166 1.00 0.00 H new ATOM 0 HA ILE A 29 -15.990 2.639 8.574 1.00 0.00 H new ATOM 0 HB ILE A 29 -13.474 0.936 8.628 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -13.637 2.342 6.662 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -13.964 0.682 6.203 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -14.859 -0.926 7.813 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -15.331 -0.411 9.450 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -16.319 0.064 8.047 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -15.513 2.220 5.093 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -16.392 1.146 6.207 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -16.060 2.831 6.673 1.00 0.00 H new ATOM 410 N GLY A 30 -14.393 1.907 11.349 1.00 0.00 N ATOM 411 CA GLY A 30 -14.590 1.498 12.725 1.00 0.00 C ATOM 412 C GLY A 30 -13.756 0.291 13.076 1.00 0.00 C ATOM 413 O GLY A 30 -13.368 0.101 14.230 1.00 0.00 O ATOM 0 H GLY A 30 -13.449 2.224 11.127 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -14.333 2.323 13.390 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -15.644 1.272 12.890 1.00 0.00 H new ATOM 417 N TYR A 31 -13.478 -0.524 12.071 1.00 0.00 N ATOM 418 CA TYR A 31 -12.675 -1.722 12.250 1.00 0.00 C ATOM 419 C TYR A 31 -11.204 -1.354 12.364 1.00 0.00 C ATOM 420 O TYR A 31 -10.704 -0.560 11.572 1.00 0.00 O ATOM 421 CB TYR A 31 -12.859 -2.673 11.064 1.00 0.00 C ATOM 422 CG TYR A 31 -14.062 -3.585 11.163 1.00 0.00 C ATOM 423 CD1 TYR A 31 -14.089 -4.635 12.072 1.00 0.00 C ATOM 424 CD2 TYR A 31 -15.162 -3.406 10.334 1.00 0.00 C ATOM 425 CE1 TYR A 31 -15.181 -5.479 12.155 1.00 0.00 C ATOM 426 CE2 TYR A 31 -16.255 -4.247 10.409 1.00 0.00 C ATOM 427 CZ TYR A 31 -16.260 -5.281 11.320 1.00 0.00 C ATOM 428 OH TYR A 31 -17.350 -6.122 11.392 1.00 0.00 O ATOM 0 H TYR A 31 -13.800 -0.375 11.115 1.00 0.00 H new ATOM 0 HA TYR A 31 -13.002 -2.217 13.164 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -12.943 -2.082 10.152 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -11.963 -3.286 10.965 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -13.243 -4.795 12.724 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -15.163 -2.596 9.619 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -15.189 -6.289 12.870 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -17.102 -4.095 9.757 1.00 0.00 H new ATOM 0 HH TYR A 31 -18.023 -5.843 10.736 1.00 0.00 H new ATOM 438 N HIS A 32 -10.522 -1.911 13.352 1.00 0.00 N ATOM 439 CA HIS A 32 -9.101 -1.641 13.527 1.00 0.00 C ATOM 440 C HIS A 32 -8.299 -2.602 12.655 1.00 0.00 C ATOM 441 O HIS A 32 -8.698 -3.750 12.486 1.00 0.00 O ATOM 442 CB HIS A 32 -8.679 -1.730 15.007 1.00 0.00 C ATOM 443 CG HIS A 32 -8.968 -3.037 15.681 1.00 0.00 C ATOM 444 ND1 HIS A 32 -10.118 -3.273 16.401 1.00 0.00 N ATOM 445 CD2 HIS A 32 -8.238 -4.173 15.761 1.00 0.00 C ATOM 446 CE1 HIS A 32 -10.082 -4.495 16.896 1.00 0.00 C ATOM 447 NE2 HIS A 32 -8.952 -5.061 16.520 1.00 0.00 N ATOM 0 H HIS A 32 -10.924 -2.548 14.040 1.00 0.00 H new ATOM 0 HA HIS A 32 -8.895 -0.618 13.213 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -7.609 -1.535 15.074 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -9.183 -0.937 15.559 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -7.272 -4.347 15.310 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -10.847 -4.954 17.505 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -8.657 -6.008 16.757 1.00 0.00 H new ATOM 456 N PRO A 33 -7.173 -2.133 12.088 1.00 0.00 N ATOM 457 CA PRO A 33 -6.306 -2.917 11.193 1.00 0.00 C ATOM 458 C PRO A 33 -6.165 -4.401 11.551 1.00 0.00 C ATOM 459 O PRO A 33 -6.402 -5.271 10.710 1.00 0.00 O ATOM 460 CB PRO A 33 -4.963 -2.215 11.338 1.00 0.00 C ATOM 461 CG PRO A 33 -5.308 -0.786 11.572 1.00 0.00 C ATOM 462 CD PRO A 33 -6.644 -0.768 12.276 1.00 0.00 C ATOM 0 HA PRO A 33 -6.720 -2.945 10.185 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -4.389 -2.625 12.169 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -4.355 -2.334 10.441 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -4.545 -0.299 12.179 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -5.361 -0.242 10.629 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -6.533 -0.526 13.333 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -7.310 -0.020 11.846 1.00 0.00 H new ATOM 470 N GLU A 34 -5.800 -4.684 12.797 1.00 0.00 N ATOM 471 CA GLU A 34 -5.592 -6.062 13.253 1.00 0.00 C ATOM 472 C GLU A 34 -6.877 -6.902 13.248 1.00 0.00 C ATOM 473 O GLU A 34 -6.820 -8.122 13.396 1.00 0.00 O ATOM 474 CB GLU A 34 -4.989 -6.060 14.659 1.00 0.00 C ATOM 475 CG GLU A 34 -3.640 -5.362 14.749 1.00 0.00 C ATOM 476 CD GLU A 34 -2.532 -6.107 14.029 1.00 0.00 C ATOM 477 OE1 GLU A 34 -2.558 -7.356 14.013 1.00 0.00 O ATOM 478 OE2 GLU A 34 -1.618 -5.446 13.490 1.00 0.00 O ATOM 0 H GLU A 34 -5.640 -3.977 13.515 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.906 -6.524 12.543 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -5.685 -5.573 15.342 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.878 -7.090 14.998 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -3.728 -4.360 14.329 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.368 -5.245 15.798 1.00 0.00 H new ATOM 485 N GLU A 35 -8.026 -6.266 13.065 1.00 0.00 N ATOM 486 CA GLU A 35 -9.298 -6.985 13.061 1.00 0.00 C ATOM 487 C GLU A 35 -9.640 -7.497 11.664 1.00 0.00 C ATOM 488 O GLU A 35 -10.415 -8.444 11.510 1.00 0.00 O ATOM 489 CB GLU A 35 -10.422 -6.080 13.572 1.00 0.00 C ATOM 490 CG GLU A 35 -11.681 -6.829 13.973 1.00 0.00 C ATOM 491 CD GLU A 35 -11.419 -7.877 15.033 1.00 0.00 C ATOM 492 OE1 GLU A 35 -10.937 -7.517 16.124 1.00 0.00 O ATOM 493 OE2 GLU A 35 -11.685 -9.068 14.773 1.00 0.00 O ATOM 0 H GLU A 35 -8.107 -5.260 12.918 1.00 0.00 H new ATOM 0 HA GLU A 35 -9.197 -7.843 13.725 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -10.058 -5.515 14.430 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -10.673 -5.356 12.797 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -12.420 -6.119 14.344 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -12.112 -7.307 13.093 1.00 0.00 H new ATOM 500 N LEU A 36 -9.064 -6.869 10.649 1.00 0.00 N ATOM 501 CA LEU A 36 -9.323 -7.263 9.269 1.00 0.00 C ATOM 502 C LEU A 36 -8.179 -8.108 8.724 1.00 0.00 C ATOM 503 O LEU A 36 -8.344 -8.841 7.750 1.00 0.00 O ATOM 504 CB LEU A 36 -9.513 -6.031 8.373 1.00 0.00 C ATOM 505 CG LEU A 36 -10.441 -4.942 8.917 1.00 0.00 C ATOM 506 CD1 LEU A 36 -9.636 -3.811 9.532 1.00 0.00 C ATOM 507 CD2 LEU A 36 -11.341 -4.409 7.815 1.00 0.00 C ATOM 0 H LEU A 36 -8.417 -6.088 10.753 1.00 0.00 H new ATOM 0 HA LEU A 36 -10.240 -7.853 9.264 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -8.535 -5.587 8.187 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -9.901 -6.363 7.410 1.00 0.00 H new ATOM 0 HG LEU A 36 -11.066 -5.383 9.693 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -10.314 -3.047 9.913 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -9.030 -4.199 10.351 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -8.985 -3.374 8.775 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -11.994 -3.636 8.220 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -10.729 -3.986 7.018 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -11.947 -5.222 7.415 1.00 0.00 H new ATOM 519 N LEU A 37 -7.026 -8.013 9.371 1.00 0.00 N ATOM 520 CA LEU A 37 -5.836 -8.740 8.944 1.00 0.00 C ATOM 521 C LEU A 37 -6.053 -10.250 8.916 1.00 0.00 C ATOM 522 O LEU A 37 -6.345 -10.870 9.942 1.00 0.00 O ATOM 523 CB LEU A 37 -4.657 -8.414 9.861 1.00 0.00 C ATOM 524 CG LEU A 37 -4.072 -7.011 9.704 1.00 0.00 C ATOM 525 CD1 LEU A 37 -2.897 -6.819 10.647 1.00 0.00 C ATOM 526 CD2 LEU A 37 -3.642 -6.771 8.269 1.00 0.00 C ATOM 0 H LEU A 37 -6.888 -7.435 10.200 1.00 0.00 H new ATOM 0 HA LEU A 37 -5.618 -8.416 7.926 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -4.977 -8.542 10.895 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -3.866 -9.141 9.680 1.00 0.00 H new ATOM 0 HG LEU A 37 -4.844 -6.285 9.959 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -2.491 -5.815 10.523 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.231 -6.951 11.676 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.124 -7.553 10.419 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.228 -5.767 8.176 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -2.885 -7.503 7.989 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.504 -6.870 7.609 1.00 0.00 H new ATOM 538 N GLY A 38 -5.920 -10.827 7.729 1.00 0.00 N ATOM 539 CA GLY A 38 -6.061 -12.262 7.570 1.00 0.00 C ATOM 540 C GLY A 38 -7.495 -12.717 7.405 1.00 0.00 C ATOM 541 O GLY A 38 -7.767 -13.917 7.410 1.00 0.00 O ATOM 0 H GLY A 38 -5.715 -10.322 6.867 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -5.486 -12.581 6.701 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -5.629 -12.759 8.438 1.00 0.00 H new ATOM 545 N ARG A 39 -8.415 -11.781 7.252 1.00 0.00 N ATOM 546 CA ARG A 39 -9.818 -12.133 7.088 1.00 0.00 C ATOM 547 C ARG A 39 -10.311 -11.720 5.706 1.00 0.00 C ATOM 548 O ARG A 39 -9.739 -10.823 5.078 1.00 0.00 O ATOM 549 CB ARG A 39 -10.674 -11.479 8.181 1.00 0.00 C ATOM 550 CG ARG A 39 -11.236 -10.120 7.798 1.00 0.00 C ATOM 551 CD ARG A 39 -12.005 -9.495 8.945 1.00 0.00 C ATOM 552 NE ARG A 39 -13.141 -10.315 9.363 1.00 0.00 N ATOM 553 CZ ARG A 39 -13.675 -10.281 10.585 1.00 0.00 C ATOM 554 NH1 ARG A 39 -13.131 -9.526 11.531 1.00 0.00 N ATOM 555 NH2 ARG A 39 -14.743 -11.020 10.864 1.00 0.00 N ATOM 0 H ARG A 39 -8.221 -10.780 7.238 1.00 0.00 H new ATOM 0 HA ARG A 39 -9.913 -13.215 7.182 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -11.500 -12.146 8.428 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -10.072 -11.370 9.083 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -10.422 -9.459 7.501 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -11.892 -10.226 6.934 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -11.335 -9.348 9.792 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -12.362 -8.509 8.646 1.00 0.00 H new ATOM 0 HE ARG A 39 -13.550 -10.952 8.679 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -12.302 -8.969 11.325 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -13.542 -9.503 12.464 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -15.155 -11.613 10.144 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -15.151 -10.994 11.798 1.00 0.00 H new ATOM 569 N SER A 40 -11.358 -12.382 5.231 1.00 0.00 N ATOM 570 CA SER A 40 -11.927 -12.076 3.930 1.00 0.00 C ATOM 571 C SER A 40 -12.695 -10.760 3.994 1.00 0.00 C ATOM 572 O SER A 40 -13.499 -10.539 4.900 1.00 0.00 O ATOM 573 CB SER A 40 -12.852 -13.207 3.470 1.00 0.00 C ATOM 574 OG SER A 40 -13.059 -13.160 2.066 1.00 0.00 O ATOM 0 H SER A 40 -11.830 -13.136 5.731 1.00 0.00 H new ATOM 0 HA SER A 40 -11.116 -11.978 3.208 1.00 0.00 H new ATOM 0 HB2 SER A 40 -12.419 -14.169 3.745 1.00 0.00 H new ATOM 0 HB3 SER A 40 -13.810 -13.130 3.985 1.00 0.00 H new ATOM 0 HG SER A 40 -12.427 -13.763 1.622 1.00 0.00 H new ATOM 580 N ALA A 41 -12.441 -9.887 3.031 1.00 0.00 N ATOM 581 CA ALA A 41 -13.105 -8.593 2.982 1.00 0.00 C ATOM 582 C ALA A 41 -14.579 -8.748 2.631 1.00 0.00 C ATOM 583 O ALA A 41 -15.404 -7.900 2.969 1.00 0.00 O ATOM 584 CB ALA A 41 -12.414 -7.692 1.974 1.00 0.00 C ATOM 0 H ALA A 41 -11.779 -10.051 2.272 1.00 0.00 H new ATOM 0 HA ALA A 41 -13.040 -8.137 3.970 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -12.918 -6.726 1.944 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -11.374 -7.550 2.266 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -12.454 -8.153 0.987 1.00 0.00 H new ATOM 590 N TYR A 42 -14.909 -9.860 1.983 1.00 0.00 N ATOM 591 CA TYR A 42 -16.278 -10.131 1.562 1.00 0.00 C ATOM 592 C TYR A 42 -17.201 -10.426 2.745 1.00 0.00 C ATOM 593 O TYR A 42 -18.401 -10.633 2.561 1.00 0.00 O ATOM 594 CB TYR A 42 -16.304 -11.288 0.561 1.00 0.00 C ATOM 595 CG TYR A 42 -15.903 -10.879 -0.840 1.00 0.00 C ATOM 596 CD1 TYR A 42 -16.829 -10.318 -1.711 1.00 0.00 C ATOM 597 CD2 TYR A 42 -14.600 -11.052 -1.291 1.00 0.00 C ATOM 598 CE1 TYR A 42 -16.467 -9.943 -2.991 1.00 0.00 C ATOM 599 CE2 TYR A 42 -14.232 -10.679 -2.569 1.00 0.00 C ATOM 600 CZ TYR A 42 -15.168 -10.126 -3.415 1.00 0.00 C ATOM 601 OH TYR A 42 -14.804 -9.752 -4.690 1.00 0.00 O ATOM 0 H TYR A 42 -14.242 -10.592 1.737 1.00 0.00 H new ATOM 0 HA TYR A 42 -16.655 -9.229 1.080 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -15.634 -12.074 0.908 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -17.307 -11.713 0.534 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -17.848 -10.173 -1.383 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -13.863 -11.485 -0.631 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -17.199 -9.508 -3.656 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -13.215 -10.820 -2.904 1.00 0.00 H new ATOM 0 HH TYR A 42 -14.036 -9.145 -4.646 1.00 0.00 H new ATOM 611 N GLU A 43 -16.646 -10.438 3.954 1.00 0.00 N ATOM 612 CA GLU A 43 -17.436 -10.684 5.158 1.00 0.00 C ATOM 613 C GLU A 43 -18.417 -9.541 5.390 1.00 0.00 C ATOM 614 O GLU A 43 -19.519 -9.741 5.897 1.00 0.00 O ATOM 615 CB GLU A 43 -16.526 -10.819 6.376 1.00 0.00 C ATOM 616 CG GLU A 43 -15.898 -12.192 6.530 1.00 0.00 C ATOM 617 CD GLU A 43 -15.229 -12.357 7.876 1.00 0.00 C ATOM 618 OE1 GLU A 43 -15.945 -12.394 8.899 1.00 0.00 O ATOM 619 OE2 GLU A 43 -13.984 -12.433 7.927 1.00 0.00 O ATOM 0 H GLU A 43 -15.653 -10.280 4.126 1.00 0.00 H new ATOM 0 HA GLU A 43 -17.988 -11.613 5.017 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -15.733 -10.074 6.308 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -17.101 -10.592 7.273 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -16.664 -12.958 6.409 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -15.165 -12.347 5.738 1.00 0.00 H new ATOM 626 N PHE A 44 -18.000 -8.341 5.018 1.00 0.00 N ATOM 627 CA PHE A 44 -18.827 -7.154 5.179 1.00 0.00 C ATOM 628 C PHE A 44 -18.677 -6.247 3.967 1.00 0.00 C ATOM 629 O PHE A 44 -18.827 -5.029 4.061 1.00 0.00 O ATOM 630 CB PHE A 44 -18.445 -6.402 6.462 1.00 0.00 C ATOM 631 CG PHE A 44 -16.962 -6.281 6.680 1.00 0.00 C ATOM 632 CD1 PHE A 44 -16.246 -5.240 6.112 1.00 0.00 C ATOM 633 CD2 PHE A 44 -16.286 -7.214 7.448 1.00 0.00 C ATOM 634 CE1 PHE A 44 -14.885 -5.132 6.307 1.00 0.00 C ATOM 635 CE2 PHE A 44 -14.925 -7.111 7.647 1.00 0.00 C ATOM 636 CZ PHE A 44 -14.223 -6.069 7.076 1.00 0.00 C ATOM 0 H PHE A 44 -17.087 -8.162 4.600 1.00 0.00 H new ATOM 0 HA PHE A 44 -19.869 -7.462 5.261 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -18.880 -5.403 6.429 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -18.887 -6.914 7.317 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -16.759 -4.505 5.510 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -16.831 -8.032 7.896 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -14.338 -4.316 5.859 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -14.409 -7.845 8.249 1.00 0.00 H new ATOM 0 HZ PHE A 44 -13.157 -5.986 7.230 1.00 0.00 H new ATOM 646 N TYR A 45 -18.398 -6.848 2.818 1.00 0.00 N ATOM 647 CA TYR A 45 -18.217 -6.087 1.591 1.00 0.00 C ATOM 648 C TYR A 45 -19.558 -5.731 0.961 1.00 0.00 C ATOM 649 O TYR A 45 -19.827 -6.073 -0.192 1.00 0.00 O ATOM 650 CB TYR A 45 -17.339 -6.846 0.594 1.00 0.00 C ATOM 651 CG TYR A 45 -16.147 -6.042 0.113 1.00 0.00 C ATOM 652 CD1 TYR A 45 -15.241 -5.504 1.020 1.00 0.00 C ATOM 653 CD2 TYR A 45 -15.926 -5.819 -1.242 1.00 0.00 C ATOM 654 CE1 TYR A 45 -14.152 -4.768 0.594 1.00 0.00 C ATOM 655 CE2 TYR A 45 -14.836 -5.082 -1.675 1.00 0.00 C ATOM 656 CZ TYR A 45 -13.953 -4.560 -0.753 1.00 0.00 C ATOM 657 OH TYR A 45 -12.867 -3.825 -1.179 1.00 0.00 O ATOM 0 H TYR A 45 -18.293 -7.857 2.711 1.00 0.00 H new ATOM 0 HA TYR A 45 -17.708 -5.159 1.853 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -16.984 -7.766 1.059 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -17.944 -7.136 -0.265 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -15.391 -5.664 2.077 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -16.615 -6.227 -1.967 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -13.460 -4.358 1.314 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -14.678 -4.917 -2.731 1.00 0.00 H new ATOM 0 HH TYR A 45 -12.049 -4.189 -0.780 1.00 0.00 H new ATOM 667 N HIS A 46 -20.379 -5.024 1.742 1.00 0.00 N ATOM 668 CA HIS A 46 -21.705 -4.546 1.322 1.00 0.00 C ATOM 669 C HIS A 46 -22.686 -5.699 1.120 1.00 0.00 C ATOM 670 O HIS A 46 -22.299 -6.823 0.795 1.00 0.00 O ATOM 671 CB HIS A 46 -21.643 -3.700 0.033 1.00 0.00 C ATOM 672 CG HIS A 46 -20.328 -3.021 -0.221 1.00 0.00 C ATOM 673 ND1 HIS A 46 -19.711 -3.026 -1.454 1.00 0.00 N ATOM 674 CD2 HIS A 46 -19.500 -2.345 0.607 1.00 0.00 C ATOM 675 CE1 HIS A 46 -18.563 -2.386 -1.371 1.00 0.00 C ATOM 676 NE2 HIS A 46 -18.409 -1.965 -0.132 1.00 0.00 N ATOM 0 H HIS A 46 -20.140 -4.762 2.699 1.00 0.00 H new ATOM 0 HA HIS A 46 -22.062 -3.913 2.134 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -21.872 -4.343 -0.817 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -22.424 -2.941 0.077 1.00 0.00 H new ATOM 0 HD1 HIS A 46 -20.085 -3.458 -2.299 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -19.667 -2.142 1.655 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -17.866 -2.232 -2.181 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -17.608 -1.441 0.221 1.00 0.00 H new ATOM 685 N ALA A 47 -23.961 -5.407 1.315 1.00 0.00 N ATOM 686 CA ALA A 47 -25.006 -6.403 1.148 1.00 0.00 C ATOM 687 C ALA A 47 -25.624 -6.314 -0.243 1.00 0.00 C ATOM 688 O ALA A 47 -25.910 -7.331 -0.869 1.00 0.00 O ATOM 689 CB ALA A 47 -26.076 -6.233 2.218 1.00 0.00 C ATOM 0 H ALA A 47 -24.298 -4.485 1.590 1.00 0.00 H new ATOM 0 HA ALA A 47 -24.557 -7.390 1.257 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -26.852 -6.986 2.080 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -25.627 -6.352 3.204 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -26.517 -5.239 2.137 1.00 0.00 H new ATOM 695 N LEU A 48 -25.816 -5.094 -0.731 1.00 0.00 N ATOM 696 CA LEU A 48 -26.413 -4.886 -2.048 1.00 0.00 C ATOM 697 C LEU A 48 -25.399 -4.318 -3.039 1.00 0.00 C ATOM 698 O LEU A 48 -25.690 -4.178 -4.229 1.00 0.00 O ATOM 699 CB LEU A 48 -27.627 -3.953 -1.948 1.00 0.00 C ATOM 700 CG LEU A 48 -27.335 -2.553 -1.406 1.00 0.00 C ATOM 701 CD1 LEU A 48 -28.223 -1.523 -2.086 1.00 0.00 C ATOM 702 CD2 LEU A 48 -27.541 -2.512 0.100 1.00 0.00 C ATOM 0 H LEU A 48 -25.569 -4.236 -0.238 1.00 0.00 H new ATOM 0 HA LEU A 48 -26.740 -5.858 -2.417 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -28.072 -3.855 -2.938 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -28.374 -4.423 -1.308 1.00 0.00 H new ATOM 0 HG LEU A 48 -26.294 -2.312 -1.622 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -28.002 -0.533 -1.688 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -28.035 -1.533 -3.160 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -29.269 -1.764 -1.898 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -27.329 -1.509 0.469 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -28.573 -2.774 0.333 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -26.869 -3.224 0.579 1.00 0.00 H new ATOM 714 N ASP A 49 -24.213 -3.991 -2.550 1.00 0.00 N ATOM 715 CA ASP A 49 -23.162 -3.440 -3.401 1.00 0.00 C ATOM 716 C ASP A 49 -22.008 -4.431 -3.493 1.00 0.00 C ATOM 717 O ASP A 49 -20.857 -4.050 -3.721 1.00 0.00 O ATOM 718 CB ASP A 49 -22.637 -2.100 -2.858 1.00 0.00 C ATOM 719 CG ASP A 49 -23.732 -1.143 -2.421 1.00 0.00 C ATOM 720 OD1 ASP A 49 -24.260 -1.317 -1.302 1.00 0.00 O ATOM 721 OD2 ASP A 49 -24.048 -0.202 -3.184 1.00 0.00 O ATOM 0 H ASP A 49 -23.951 -4.096 -1.570 1.00 0.00 H new ATOM 0 HA ASP A 49 -23.589 -3.264 -4.388 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -21.979 -2.295 -2.011 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -22.033 -1.619 -3.627 1.00 0.00 H new ATOM 726 N SER A 50 -22.322 -5.704 -3.297 1.00 0.00 N ATOM 727 CA SER A 50 -21.321 -6.758 -3.338 1.00 0.00 C ATOM 728 C SER A 50 -20.928 -7.076 -4.775 1.00 0.00 C ATOM 729 O SER A 50 -19.747 -7.018 -5.129 1.00 0.00 O ATOM 730 CB SER A 50 -21.859 -8.011 -2.648 1.00 0.00 C ATOM 731 OG SER A 50 -22.827 -7.668 -1.670 1.00 0.00 O ATOM 0 H SER A 50 -23.269 -6.032 -3.107 1.00 0.00 H new ATOM 0 HA SER A 50 -20.432 -6.413 -2.811 1.00 0.00 H new ATOM 0 HB2 SER A 50 -22.302 -8.678 -3.388 1.00 0.00 H new ATOM 0 HB3 SER A 50 -21.039 -8.555 -2.180 1.00 0.00 H new ATOM 0 HG SER A 50 -22.389 -7.211 -0.922 1.00 0.00 H new ATOM 737 N GLU A 51 -21.930 -7.386 -5.600 1.00 0.00 N ATOM 738 CA GLU A 51 -21.714 -7.722 -7.007 1.00 0.00 C ATOM 739 C GLU A 51 -20.912 -6.640 -7.714 1.00 0.00 C ATOM 740 O GLU A 51 -20.058 -6.934 -8.553 1.00 0.00 O ATOM 741 CB GLU A 51 -23.054 -7.909 -7.718 1.00 0.00 C ATOM 742 CG GLU A 51 -23.697 -9.260 -7.466 1.00 0.00 C ATOM 743 CD GLU A 51 -22.985 -10.381 -8.187 1.00 0.00 C ATOM 744 OE1 GLU A 51 -23.102 -10.465 -9.427 1.00 0.00 O ATOM 745 OE2 GLU A 51 -22.304 -11.187 -7.518 1.00 0.00 O ATOM 0 H GLU A 51 -22.908 -7.411 -5.313 1.00 0.00 H new ATOM 0 HA GLU A 51 -21.149 -8.653 -7.043 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -23.739 -7.125 -7.395 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -22.907 -7.781 -8.790 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -23.699 -9.464 -6.395 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -24.738 -9.229 -7.787 1.00 0.00 H new ATOM 752 N ASN A 52 -21.188 -5.394 -7.351 1.00 0.00 N ATOM 753 CA ASN A 52 -20.508 -4.241 -7.927 1.00 0.00 C ATOM 754 C ASN A 52 -18.996 -4.370 -7.796 1.00 0.00 C ATOM 755 O ASN A 52 -18.259 -4.030 -8.717 1.00 0.00 O ATOM 756 CB ASN A 52 -20.974 -2.952 -7.243 1.00 0.00 C ATOM 757 CG ASN A 52 -22.459 -2.704 -7.414 1.00 0.00 C ATOM 758 OD1 ASN A 52 -23.278 -3.230 -6.659 1.00 0.00 O ATOM 759 ND2 ASN A 52 -22.816 -1.897 -8.399 1.00 0.00 N ATOM 0 H ASN A 52 -21.889 -5.154 -6.650 1.00 0.00 H new ATOM 0 HA ASN A 52 -20.761 -4.202 -8.986 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -20.738 -3.004 -6.180 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -20.419 -2.107 -7.652 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -23.802 -1.689 -8.556 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -22.105 -1.482 -9.001 1.00 0.00 H new ATOM 766 N MET A 53 -18.543 -4.886 -6.658 1.00 0.00 N ATOM 767 CA MET A 53 -17.114 -5.047 -6.412 1.00 0.00 C ATOM 768 C MET A 53 -16.626 -6.416 -6.867 1.00 0.00 C ATOM 769 O MET A 53 -15.430 -6.617 -7.082 1.00 0.00 O ATOM 770 CB MET A 53 -16.792 -4.839 -4.931 1.00 0.00 C ATOM 771 CG MET A 53 -16.887 -3.388 -4.492 1.00 0.00 C ATOM 772 SD MET A 53 -16.003 -2.268 -5.596 1.00 0.00 S ATOM 773 CE MET A 53 -14.301 -2.732 -5.274 1.00 0.00 C ATOM 0 H MET A 53 -19.142 -5.199 -5.894 1.00 0.00 H new ATOM 0 HA MET A 53 -16.592 -4.288 -6.995 1.00 0.00 H new ATOM 0 HB2 MET A 53 -17.476 -5.438 -4.330 1.00 0.00 H new ATOM 0 HB3 MET A 53 -15.786 -5.207 -4.730 1.00 0.00 H new ATOM 0 HG2 MET A 53 -17.936 -3.094 -4.447 1.00 0.00 H new ATOM 0 HG3 MET A 53 -16.485 -3.291 -3.484 1.00 0.00 H new ATOM 0 HE1 MET A 53 -13.634 -2.087 -5.846 1.00 0.00 H new ATOM 0 HE2 MET A 53 -14.089 -2.622 -4.211 1.00 0.00 H new ATOM 0 HE3 MET A 53 -14.145 -3.769 -5.569 1.00 0.00 H new ATOM 783 N THR A 54 -17.548 -7.362 -7.004 1.00 0.00 N ATOM 784 CA THR A 54 -17.200 -8.702 -7.453 1.00 0.00 C ATOM 785 C THR A 54 -16.656 -8.640 -8.877 1.00 0.00 C ATOM 786 O THR A 54 -15.645 -9.266 -9.203 1.00 0.00 O ATOM 787 CB THR A 54 -18.420 -9.644 -7.398 1.00 0.00 C ATOM 788 OG1 THR A 54 -19.034 -9.555 -6.106 1.00 0.00 O ATOM 789 CG2 THR A 54 -18.019 -11.087 -7.670 1.00 0.00 C ATOM 0 H THR A 54 -18.540 -7.225 -6.811 1.00 0.00 H new ATOM 0 HA THR A 54 -16.436 -9.100 -6.785 1.00 0.00 H new ATOM 0 HB THR A 54 -19.124 -9.335 -8.171 1.00 0.00 H new ATOM 0 HG1 THR A 54 -19.253 -8.620 -5.912 1.00 0.00 H new ATOM 0 HG21 THR A 54 -18.902 -11.725 -7.624 1.00 0.00 H new ATOM 0 HG22 THR A 54 -17.570 -11.159 -8.661 1.00 0.00 H new ATOM 0 HG23 THR A 54 -17.297 -11.412 -6.920 1.00 0.00 H new ATOM 797 N LYS A 55 -17.317 -7.841 -9.707 1.00 0.00 N ATOM 798 CA LYS A 55 -16.904 -7.671 -11.092 1.00 0.00 C ATOM 799 C LYS A 55 -15.559 -6.957 -11.152 1.00 0.00 C ATOM 800 O LYS A 55 -14.718 -7.263 -12.002 1.00 0.00 O ATOM 801 CB LYS A 55 -17.957 -6.880 -11.876 1.00 0.00 C ATOM 802 CG LYS A 55 -19.384 -7.359 -11.648 1.00 0.00 C ATOM 803 CD LYS A 55 -19.563 -8.809 -12.070 1.00 0.00 C ATOM 804 CE LYS A 55 -20.581 -9.524 -11.195 1.00 0.00 C ATOM 805 NZ LYS A 55 -21.959 -8.992 -11.370 1.00 0.00 N ATOM 0 H LYS A 55 -18.141 -7.301 -9.443 1.00 0.00 H new ATOM 0 HA LYS A 55 -16.804 -8.656 -11.547 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -17.888 -5.828 -11.598 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -17.728 -6.944 -12.940 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -19.640 -7.252 -10.594 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -20.074 -6.729 -12.209 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -19.885 -8.849 -13.111 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -18.605 -9.326 -12.012 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -20.574 -10.588 -11.431 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -20.288 -9.427 -10.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -22.634 -9.607 -10.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -22.012 -8.030 -10.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -22.195 -8.967 -12.382 1.00 0.00 H new ATOM 819 N SER A 56 -15.359 -6.021 -10.228 1.00 0.00 N ATOM 820 CA SER A 56 -14.122 -5.258 -10.156 1.00 0.00 C ATOM 821 C SER A 56 -12.936 -6.176 -9.891 1.00 0.00 C ATOM 822 O SER A 56 -11.888 -6.030 -10.508 1.00 0.00 O ATOM 823 CB SER A 56 -14.221 -4.200 -9.058 1.00 0.00 C ATOM 824 OG SER A 56 -15.464 -3.522 -9.124 1.00 0.00 O ATOM 0 H SER A 56 -16.045 -5.773 -9.515 1.00 0.00 H new ATOM 0 HA SER A 56 -13.967 -4.764 -11.115 1.00 0.00 H new ATOM 0 HB2 SER A 56 -14.110 -4.671 -8.081 1.00 0.00 H new ATOM 0 HB3 SER A 56 -13.405 -3.484 -9.161 1.00 0.00 H new ATOM 0 HG SER A 56 -15.508 -2.850 -8.412 1.00 0.00 H new ATOM 830 N HIS A 57 -13.110 -7.132 -8.982 1.00 0.00 N ATOM 831 CA HIS A 57 -12.041 -8.069 -8.651 1.00 0.00 C ATOM 832 C HIS A 57 -11.642 -8.874 -9.885 1.00 0.00 C ATOM 833 O HIS A 57 -10.459 -9.011 -10.190 1.00 0.00 O ATOM 834 CB HIS A 57 -12.474 -9.015 -7.525 1.00 0.00 C ATOM 835 CG HIS A 57 -11.357 -9.859 -6.982 1.00 0.00 C ATOM 836 ND1 HIS A 57 -11.519 -11.177 -6.615 1.00 0.00 N ATOM 837 CD2 HIS A 57 -10.055 -9.563 -6.743 1.00 0.00 C ATOM 838 CE1 HIS A 57 -10.369 -11.656 -6.177 1.00 0.00 C ATOM 839 NE2 HIS A 57 -9.465 -10.696 -6.241 1.00 0.00 N ATOM 0 H HIS A 57 -13.977 -7.278 -8.464 1.00 0.00 H new ATOM 0 HA HIS A 57 -11.180 -7.495 -8.307 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -12.901 -8.427 -6.713 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -13.264 -9.668 -7.895 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -9.572 -8.612 -6.916 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -10.197 -12.663 -5.826 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -8.487 -10.782 -5.963 1.00 0.00 H new ATOM 848 N GLN A 58 -12.644 -9.380 -10.594 1.00 0.00 N ATOM 849 CA GLN A 58 -12.421 -10.173 -11.799 1.00 0.00 C ATOM 850 C GLN A 58 -11.662 -9.370 -12.852 1.00 0.00 C ATOM 851 O GLN A 58 -10.714 -9.864 -13.467 1.00 0.00 O ATOM 852 CB GLN A 58 -13.760 -10.641 -12.373 1.00 0.00 C ATOM 853 CG GLN A 58 -14.483 -11.638 -11.485 1.00 0.00 C ATOM 854 CD GLN A 58 -15.939 -11.811 -11.868 1.00 0.00 C ATOM 855 OE1 GLN A 58 -16.322 -11.585 -13.016 1.00 0.00 O ATOM 856 NE2 GLN A 58 -16.758 -12.228 -10.916 1.00 0.00 N ATOM 0 H GLN A 58 -13.627 -9.254 -10.353 1.00 0.00 H new ATOM 0 HA GLN A 58 -11.819 -11.040 -11.527 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -14.402 -9.774 -12.530 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -13.590 -11.093 -13.350 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -13.979 -12.603 -11.543 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -14.421 -11.307 -10.448 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -16.401 -12.404 -9.977 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -17.746 -12.373 -11.121 1.00 0.00 H new ATOM 865 N ASN A 59 -12.076 -8.125 -13.039 1.00 0.00 N ATOM 866 CA ASN A 59 -11.452 -7.247 -14.023 1.00 0.00 C ATOM 867 C ASN A 59 -10.059 -6.808 -13.573 1.00 0.00 C ATOM 868 O ASN A 59 -9.107 -6.853 -14.349 1.00 0.00 O ATOM 869 CB ASN A 59 -12.330 -6.017 -14.267 1.00 0.00 C ATOM 870 CG ASN A 59 -11.841 -5.166 -15.425 1.00 0.00 C ATOM 871 OD1 ASN A 59 -11.356 -5.686 -16.433 1.00 0.00 O ATOM 872 ND2 ASN A 59 -11.963 -3.853 -15.284 1.00 0.00 N ATOM 0 H ASN A 59 -12.844 -7.697 -12.521 1.00 0.00 H new ATOM 0 HA ASN A 59 -11.349 -7.808 -14.952 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -13.352 -6.339 -14.465 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -12.357 -5.410 -13.362 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -11.649 -3.229 -16.027 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -12.371 -3.467 -14.432 1.00 0.00 H new ATOM 879 N LEU A 60 -9.948 -6.407 -12.311 1.00 0.00 N ATOM 880 CA LEU A 60 -8.688 -5.938 -11.734 1.00 0.00 C ATOM 881 C LEU A 60 -7.552 -6.948 -11.915 1.00 0.00 C ATOM 882 O LEU A 60 -6.471 -6.587 -12.382 1.00 0.00 O ATOM 883 CB LEU A 60 -8.892 -5.630 -10.247 1.00 0.00 C ATOM 884 CG LEU A 60 -7.654 -5.153 -9.482 1.00 0.00 C ATOM 885 CD1 LEU A 60 -7.035 -3.935 -10.153 1.00 0.00 C ATOM 886 CD2 LEU A 60 -8.022 -4.837 -8.041 1.00 0.00 C ATOM 0 H LEU A 60 -10.730 -6.397 -11.656 1.00 0.00 H new ATOM 0 HA LEU A 60 -8.395 -5.033 -12.266 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -9.666 -4.867 -10.158 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -9.272 -6.528 -9.760 1.00 0.00 H new ATOM 0 HG LEU A 60 -6.914 -5.953 -9.491 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -6.158 -3.616 -9.590 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -6.740 -4.191 -11.171 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -7.763 -3.125 -10.179 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -7.135 -4.499 -7.505 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -8.779 -4.053 -8.022 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -8.416 -5.733 -7.561 1.00 0.00 H new ATOM 898 N CYS A 61 -7.805 -8.208 -11.571 1.00 0.00 N ATOM 899 CA CYS A 61 -6.789 -9.257 -11.685 1.00 0.00 C ATOM 900 C CYS A 61 -6.368 -9.492 -13.139 1.00 0.00 C ATOM 901 O CYS A 61 -5.310 -10.067 -13.404 1.00 0.00 O ATOM 902 CB CYS A 61 -7.311 -10.568 -11.094 1.00 0.00 C ATOM 903 SG CYS A 61 -7.898 -10.440 -9.391 1.00 0.00 S ATOM 0 H CYS A 61 -8.703 -8.530 -11.211 1.00 0.00 H new ATOM 0 HA CYS A 61 -5.916 -8.919 -11.128 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -8.125 -10.935 -11.719 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -6.516 -11.313 -11.136 1.00 0.00 H new ATOM 0 HG CYS A 61 -9.049 -9.835 -9.373 1.00 0.00 H new ATOM 909 N THR A 62 -7.191 -9.042 -14.074 1.00 0.00 N ATOM 910 CA THR A 62 -6.908 -9.226 -15.489 1.00 0.00 C ATOM 911 C THR A 62 -6.353 -7.949 -16.132 1.00 0.00 C ATOM 912 O THR A 62 -5.667 -8.003 -17.154 1.00 0.00 O ATOM 913 CB THR A 62 -8.184 -9.673 -16.229 1.00 0.00 C ATOM 914 OG1 THR A 62 -8.903 -10.618 -15.419 1.00 0.00 O ATOM 915 CG2 THR A 62 -7.849 -10.306 -17.570 1.00 0.00 C ATOM 0 H THR A 62 -8.061 -8.546 -13.878 1.00 0.00 H new ATOM 0 HA THR A 62 -6.145 -9.999 -15.574 1.00 0.00 H new ATOM 0 HB THR A 62 -8.800 -8.792 -16.411 1.00 0.00 H new ATOM 0 HG1 THR A 62 -9.474 -10.137 -14.784 1.00 0.00 H new ATOM 0 HG21 THR A 62 -8.769 -10.611 -18.068 1.00 0.00 H new ATOM 0 HG22 THR A 62 -7.322 -9.583 -18.192 1.00 0.00 H new ATOM 0 HG23 THR A 62 -7.215 -11.179 -17.412 1.00 0.00 H new ATOM 923 N LYS A 63 -6.643 -6.805 -15.529 1.00 0.00 N ATOM 924 CA LYS A 63 -6.177 -5.527 -16.054 1.00 0.00 C ATOM 925 C LYS A 63 -4.838 -5.132 -15.450 1.00 0.00 C ATOM 926 O LYS A 63 -3.963 -4.615 -16.141 1.00 0.00 O ATOM 927 CB LYS A 63 -7.205 -4.427 -15.779 1.00 0.00 C ATOM 928 CG LYS A 63 -8.449 -4.521 -16.645 1.00 0.00 C ATOM 929 CD LYS A 63 -8.101 -4.502 -18.123 1.00 0.00 C ATOM 930 CE LYS A 63 -9.314 -4.808 -18.984 1.00 0.00 C ATOM 931 NZ LYS A 63 -8.928 -5.136 -20.380 1.00 0.00 N ATOM 0 H LYS A 63 -7.198 -6.734 -14.676 1.00 0.00 H new ATOM 0 HA LYS A 63 -6.049 -5.644 -17.130 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -7.499 -4.471 -14.730 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -6.736 -3.456 -15.937 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -8.989 -5.438 -16.409 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -9.116 -3.690 -16.417 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -7.700 -3.524 -18.391 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -7.318 -5.233 -18.323 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -9.865 -5.644 -18.553 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -9.986 -3.950 -18.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -9.782 -5.339 -20.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -8.424 -4.329 -20.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -8.307 -5.970 -20.382 1.00 0.00 H new ATOM 945 N GLY A 64 -4.683 -5.373 -14.158 1.00 0.00 N ATOM 946 CA GLY A 64 -3.454 -5.014 -13.483 1.00 0.00 C ATOM 947 C GLY A 64 -3.625 -3.752 -12.665 1.00 0.00 C ATOM 948 O GLY A 64 -2.952 -3.557 -11.656 1.00 0.00 O ATOM 0 H GLY A 64 -5.387 -5.811 -13.564 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.141 -5.831 -12.833 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -2.662 -4.869 -14.218 1.00 0.00 H new ATOM 952 N GLN A 65 -4.535 -2.895 -13.103 1.00 0.00 N ATOM 953 CA GLN A 65 -4.816 -1.644 -12.412 1.00 0.00 C ATOM 954 C GLN A 65 -6.151 -1.078 -12.878 1.00 0.00 C ATOM 955 O GLN A 65 -6.398 -0.962 -14.079 1.00 0.00 O ATOM 956 CB GLN A 65 -3.698 -0.623 -12.657 1.00 0.00 C ATOM 957 CG GLN A 65 -3.932 0.715 -11.969 1.00 0.00 C ATOM 958 CD GLN A 65 -2.797 1.694 -12.190 1.00 0.00 C ATOM 959 OE1 GLN A 65 -2.778 2.429 -13.178 1.00 0.00 O ATOM 960 NE2 GLN A 65 -1.857 1.733 -11.261 1.00 0.00 N ATOM 0 H GLN A 65 -5.096 -3.045 -13.941 1.00 0.00 H new ATOM 0 HA GLN A 65 -4.868 -1.847 -11.342 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -2.753 -1.041 -12.309 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -3.597 -0.458 -13.730 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -4.860 1.151 -12.339 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -4.061 0.551 -10.899 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -1.908 1.108 -10.457 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -1.081 2.389 -11.348 1.00 0.00 H new ATOM 969 N VAL A 66 -7.012 -0.750 -11.928 1.00 0.00 N ATOM 970 CA VAL A 66 -8.317 -0.189 -12.233 1.00 0.00 C ATOM 971 C VAL A 66 -8.833 0.599 -11.033 1.00 0.00 C ATOM 972 O VAL A 66 -8.603 0.219 -9.882 1.00 0.00 O ATOM 973 CB VAL A 66 -9.335 -1.285 -12.643 1.00 0.00 C ATOM 974 CG1 VAL A 66 -9.822 -2.083 -11.440 1.00 0.00 C ATOM 975 CG2 VAL A 66 -10.509 -0.675 -13.394 1.00 0.00 C ATOM 0 H VAL A 66 -6.828 -0.864 -10.931 1.00 0.00 H new ATOM 0 HA VAL A 66 -8.205 0.482 -13.085 1.00 0.00 H new ATOM 0 HB VAL A 66 -8.819 -1.978 -13.308 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -10.533 -2.840 -11.770 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -8.973 -2.568 -10.957 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -10.308 -1.413 -10.731 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -11.211 -1.461 -13.672 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -11.012 0.051 -12.755 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -10.147 -0.177 -14.293 1.00 0.00 H new ATOM 985 N VAL A 67 -9.490 1.712 -11.302 1.00 0.00 N ATOM 986 CA VAL A 67 -10.027 2.549 -10.244 1.00 0.00 C ATOM 987 C VAL A 67 -11.542 2.429 -10.183 1.00 0.00 C ATOM 988 O VAL A 67 -12.245 2.854 -11.103 1.00 0.00 O ATOM 989 CB VAL A 67 -9.648 4.030 -10.442 1.00 0.00 C ATOM 990 CG1 VAL A 67 -9.962 4.834 -9.189 1.00 0.00 C ATOM 991 CG2 VAL A 67 -8.181 4.163 -10.816 1.00 0.00 C ATOM 0 H VAL A 67 -9.665 2.058 -12.245 1.00 0.00 H new ATOM 0 HA VAL A 67 -9.591 2.199 -9.308 1.00 0.00 H new ATOM 0 HB VAL A 67 -10.244 4.431 -11.262 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -9.688 5.877 -9.348 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -11.028 4.768 -8.972 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -9.395 4.434 -8.348 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -7.934 5.216 -10.951 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -7.564 3.745 -10.021 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -7.992 3.624 -11.744 1.00 0.00 H new ATOM 1001 N SER A 68 -12.036 1.838 -9.110 1.00 0.00 N ATOM 1002 CA SER A 68 -13.462 1.672 -8.914 1.00 0.00 C ATOM 1003 C SER A 68 -14.064 2.979 -8.413 1.00 0.00 C ATOM 1004 O SER A 68 -13.678 3.482 -7.356 1.00 0.00 O ATOM 1005 CB SER A 68 -13.723 0.542 -7.917 1.00 0.00 C ATOM 1006 OG SER A 68 -12.980 -0.619 -8.262 1.00 0.00 O ATOM 0 H SER A 68 -11.463 1.462 -8.355 1.00 0.00 H new ATOM 0 HA SER A 68 -13.931 1.410 -9.862 1.00 0.00 H new ATOM 0 HB2 SER A 68 -13.452 0.867 -6.913 1.00 0.00 H new ATOM 0 HB3 SER A 68 -14.787 0.306 -7.899 1.00 0.00 H new ATOM 0 HG SER A 68 -13.466 -1.418 -7.968 1.00 0.00 H new ATOM 1012 N GLY A 69 -14.994 3.526 -9.191 1.00 0.00 N ATOM 1013 CA GLY A 69 -15.634 4.776 -8.836 1.00 0.00 C ATOM 1014 C GLY A 69 -16.290 4.727 -7.473 1.00 0.00 C ATOM 1015 O GLY A 69 -16.798 3.678 -7.069 1.00 0.00 O ATOM 0 H GLY A 69 -15.317 3.119 -10.069 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -14.894 5.576 -8.850 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -16.384 5.022 -9.588 1.00 0.00 H new ATOM 1019 N GLN A 70 -16.261 5.868 -6.780 1.00 0.00 N ATOM 1020 CA GLN A 70 -16.838 6.024 -5.439 1.00 0.00 C ATOM 1021 C GLN A 70 -18.120 5.218 -5.262 1.00 0.00 C ATOM 1022 O GLN A 70 -19.145 5.504 -5.883 1.00 0.00 O ATOM 1023 CB GLN A 70 -17.107 7.506 -5.159 1.00 0.00 C ATOM 1024 CG GLN A 70 -17.624 8.270 -6.368 1.00 0.00 C ATOM 1025 CD GLN A 70 -17.184 9.721 -6.375 1.00 0.00 C ATOM 1026 OE1 GLN A 70 -17.910 10.608 -5.923 1.00 0.00 O ATOM 1027 NE2 GLN A 70 -15.987 9.971 -6.877 1.00 0.00 N ATOM 0 H GLN A 70 -15.831 6.721 -7.137 1.00 0.00 H new ATOM 0 HA GLN A 70 -16.112 5.637 -4.724 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -17.833 7.588 -4.350 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -16.187 7.974 -4.810 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -17.272 7.784 -7.278 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -18.713 8.225 -6.383 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -15.417 9.208 -7.241 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -15.633 10.927 -6.900 1.00 0.00 H new ATOM 1036 N TYR A 71 -18.048 4.205 -4.416 1.00 0.00 N ATOM 1037 CA TYR A 71 -19.185 3.342 -4.154 1.00 0.00 C ATOM 1038 C TYR A 71 -19.532 3.351 -2.672 1.00 0.00 C ATOM 1039 O TYR A 71 -18.857 4.002 -1.874 1.00 0.00 O ATOM 1040 CB TYR A 71 -18.881 1.912 -4.618 1.00 0.00 C ATOM 1041 CG TYR A 71 -17.647 1.306 -3.981 1.00 0.00 C ATOM 1042 CD1 TYR A 71 -17.704 0.719 -2.723 1.00 0.00 C ATOM 1043 CD2 TYR A 71 -16.426 1.317 -4.643 1.00 0.00 C ATOM 1044 CE1 TYR A 71 -16.582 0.163 -2.143 1.00 0.00 C ATOM 1045 CE2 TYR A 71 -15.300 0.759 -4.069 1.00 0.00 C ATOM 1046 CZ TYR A 71 -15.385 0.184 -2.819 1.00 0.00 C ATOM 1047 OH TYR A 71 -14.266 -0.375 -2.243 1.00 0.00 O ATOM 0 H TYR A 71 -17.206 3.959 -3.895 1.00 0.00 H new ATOM 0 HA TYR A 71 -20.042 3.719 -4.712 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -19.740 1.279 -4.396 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -18.756 1.911 -5.701 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -18.643 0.697 -2.190 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -16.356 1.769 -5.621 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -16.644 -0.286 -1.163 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -14.358 0.773 -4.597 1.00 0.00 H new ATOM 0 HH TYR A 71 -13.533 0.275 -2.255 1.00 0.00 H new ATOM 1057 N ARG A 72 -20.581 2.625 -2.312 1.00 0.00 N ATOM 1058 CA ARG A 72 -21.015 2.540 -0.925 1.00 0.00 C ATOM 1059 C ARG A 72 -20.221 1.481 -0.170 1.00 0.00 C ATOM 1060 O ARG A 72 -20.311 0.295 -0.480 1.00 0.00 O ATOM 1061 CB ARG A 72 -22.499 2.183 -0.843 1.00 0.00 C ATOM 1062 CG ARG A 72 -23.425 3.155 -1.543 1.00 0.00 C ATOM 1063 CD ARG A 72 -24.871 2.709 -1.394 1.00 0.00 C ATOM 1064 NE ARG A 72 -25.775 3.452 -2.265 1.00 0.00 N ATOM 1065 CZ ARG A 72 -26.193 3.007 -3.449 1.00 0.00 C ATOM 1066 NH1 ARG A 72 -25.793 1.822 -3.902 1.00 0.00 N ATOM 1067 NH2 ARG A 72 -27.016 3.742 -4.184 1.00 0.00 N ATOM 0 H ARG A 72 -21.149 2.084 -2.964 1.00 0.00 H new ATOM 0 HA ARG A 72 -20.845 3.517 -0.472 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -22.644 1.192 -1.272 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -22.786 2.121 0.207 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -23.300 4.153 -1.123 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -23.164 3.219 -2.599 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -24.945 1.645 -1.620 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -25.183 2.837 -0.357 1.00 0.00 H new ATOM 0 HE ARG A 72 -26.106 4.364 -1.950 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -25.163 1.248 -3.342 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -26.117 1.487 -4.809 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -27.331 4.650 -3.843 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -27.335 3.399 -5.090 1.00 0.00 H new ATOM 1081 N MET A 73 -19.433 1.904 0.804 1.00 0.00 N ATOM 1082 CA MET A 73 -18.656 0.972 1.610 1.00 0.00 C ATOM 1083 C MET A 73 -19.339 0.769 2.958 1.00 0.00 C ATOM 1084 O MET A 73 -19.812 1.726 3.562 1.00 0.00 O ATOM 1085 CB MET A 73 -17.224 1.470 1.803 1.00 0.00 C ATOM 1086 CG MET A 73 -16.368 0.539 2.648 1.00 0.00 C ATOM 1087 SD MET A 73 -16.429 -1.171 2.073 1.00 0.00 S ATOM 1088 CE MET A 73 -15.767 -2.026 3.503 1.00 0.00 C ATOM 0 H MET A 73 -19.313 2.885 1.057 1.00 0.00 H new ATOM 0 HA MET A 73 -18.605 0.018 1.086 1.00 0.00 H new ATOM 0 HB2 MET A 73 -16.756 1.595 0.826 1.00 0.00 H new ATOM 0 HB3 MET A 73 -17.250 2.453 2.272 1.00 0.00 H new ATOM 0 HG2 MET A 73 -15.335 0.887 2.633 1.00 0.00 H new ATOM 0 HG3 MET A 73 -16.704 0.582 3.684 1.00 0.00 H new ATOM 0 HE1 MET A 73 -15.191 -2.891 3.175 1.00 0.00 H new ATOM 0 HE2 MET A 73 -15.121 -1.351 4.064 1.00 0.00 H new ATOM 0 HE3 MET A 73 -16.587 -2.357 4.141 1.00 0.00 H new ATOM 1098 N LEU A 74 -19.378 -0.472 3.424 1.00 0.00 N ATOM 1099 CA LEU A 74 -20.037 -0.799 4.683 1.00 0.00 C ATOM 1100 C LEU A 74 -19.105 -0.616 5.878 1.00 0.00 C ATOM 1101 O LEU A 74 -18.013 -1.181 5.921 1.00 0.00 O ATOM 1102 CB LEU A 74 -20.555 -2.240 4.638 1.00 0.00 C ATOM 1103 CG LEU A 74 -21.407 -2.673 5.832 1.00 0.00 C ATOM 1104 CD1 LEU A 74 -22.654 -1.812 5.941 1.00 0.00 C ATOM 1105 CD2 LEU A 74 -21.780 -4.142 5.706 1.00 0.00 C ATOM 0 H LEU A 74 -18.960 -1.271 2.948 1.00 0.00 H new ATOM 0 HA LEU A 74 -20.873 -0.111 4.810 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -21.143 -2.368 3.729 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -19.700 -2.912 4.561 1.00 0.00 H new ATOM 0 HG LEU A 74 -20.822 -2.540 6.742 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -23.246 -2.136 6.797 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -22.366 -0.769 6.074 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -23.246 -1.912 5.031 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -22.386 -4.438 6.562 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -22.348 -4.296 4.788 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -20.873 -4.746 5.677 1.00 0.00 H new ATOM 1117 N ALA A 75 -19.547 0.192 6.830 1.00 0.00 N ATOM 1118 CA ALA A 75 -18.790 0.450 8.044 1.00 0.00 C ATOM 1119 C ALA A 75 -19.268 -0.465 9.172 1.00 0.00 C ATOM 1120 O ALA A 75 -20.262 -1.178 9.020 1.00 0.00 O ATOM 1121 CB ALA A 75 -18.921 1.910 8.448 1.00 0.00 C ATOM 0 H ALA A 75 -20.438 0.686 6.782 1.00 0.00 H new ATOM 0 HA ALA A 75 -17.738 0.239 7.851 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -18.349 2.088 9.359 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -18.538 2.544 7.649 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -19.970 2.145 8.627 1.00 0.00 H new ATOM 1127 N LYS A 76 -18.583 -0.415 10.311 1.00 0.00 N ATOM 1128 CA LYS A 76 -18.918 -1.253 11.464 1.00 0.00 C ATOM 1129 C LYS A 76 -20.145 -0.722 12.215 1.00 0.00 C ATOM 1130 O LYS A 76 -20.087 -0.479 13.422 1.00 0.00 O ATOM 1131 CB LYS A 76 -17.714 -1.333 12.412 1.00 0.00 C ATOM 1132 CG LYS A 76 -17.712 -2.560 13.309 1.00 0.00 C ATOM 1133 CD LYS A 76 -16.724 -2.406 14.455 1.00 0.00 C ATOM 1134 CE LYS A 76 -17.365 -1.725 15.654 1.00 0.00 C ATOM 1135 NZ LYS A 76 -16.355 -1.091 16.540 1.00 0.00 N ATOM 0 H LYS A 76 -17.785 0.202 10.463 1.00 0.00 H new ATOM 0 HA LYS A 76 -19.163 -2.249 11.096 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -16.798 -1.327 11.821 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -17.696 -0.440 13.036 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -18.713 -2.722 13.709 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -17.456 -3.442 12.722 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -16.350 -3.387 14.749 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -15.865 -1.824 14.121 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -18.069 -0.969 15.308 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -17.938 -2.457 16.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -16.834 -0.638 17.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -15.698 -1.816 16.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -15.825 -0.374 16.005 1.00 0.00 H new ATOM 1149 N HIS A 77 -21.248 -0.539 11.493 1.00 0.00 N ATOM 1150 CA HIS A 77 -22.498 -0.048 12.082 1.00 0.00 C ATOM 1151 C HIS A 77 -23.586 0.089 11.020 1.00 0.00 C ATOM 1152 O HIS A 77 -24.501 0.897 11.165 1.00 0.00 O ATOM 1153 CB HIS A 77 -22.302 1.300 12.807 1.00 0.00 C ATOM 1154 CG HIS A 77 -21.768 2.412 11.952 1.00 0.00 C ATOM 1155 ND1 HIS A 77 -20.495 2.794 11.689 1.00 0.00 N flip ATOM 1156 CD2 HIS A 77 -22.575 3.292 11.267 1.00 0.00 C flip ATOM 1157 CE1 HIS A 77 -20.558 3.884 10.860 1.00 0.00 C flip ATOM 1158 NE2 HIS A 77 -21.824 4.163 10.620 1.00 0.00 N flip ATOM 0 H HIS A 77 -21.304 -0.724 10.492 1.00 0.00 H new ATOM 0 HA HIS A 77 -22.811 -0.787 12.820 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -23.259 1.612 13.226 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -21.622 1.148 13.645 1.00 0.00 H new ATOM 0 HD1 HIS A 77 -19.646 2.352 12.043 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -23.655 3.273 11.260 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -19.710 4.425 10.468 1.00 0.00 H new ATOM 1167 N GLY A 78 -23.491 -0.707 9.961 1.00 0.00 N ATOM 1168 CA GLY A 78 -24.476 -0.644 8.894 1.00 0.00 C ATOM 1169 C GLY A 78 -24.504 0.705 8.203 1.00 0.00 C ATOM 1170 O GLY A 78 -25.565 1.191 7.813 1.00 0.00 O ATOM 0 H GLY A 78 -22.751 -1.395 9.821 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -24.260 -1.420 8.159 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -25.463 -0.859 9.303 1.00 0.00 H new ATOM 1174 N GLY A 79 -23.338 1.314 8.061 1.00 0.00 N ATOM 1175 CA GLY A 79 -23.251 2.608 7.417 1.00 0.00 C ATOM 1176 C GLY A 79 -22.489 2.539 6.116 1.00 0.00 C ATOM 1177 O GLY A 79 -21.367 2.038 6.082 1.00 0.00 O ATOM 0 H GLY A 79 -22.447 0.934 8.381 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -24.255 2.989 7.230 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -22.762 3.315 8.087 1.00 0.00 H new ATOM 1181 N TYR A 80 -23.098 3.025 5.047 1.00 0.00 N ATOM 1182 CA TYR A 80 -22.472 3.012 3.732 1.00 0.00 C ATOM 1183 C TYR A 80 -21.871 4.371 3.388 1.00 0.00 C ATOM 1184 O TYR A 80 -22.591 5.346 3.182 1.00 0.00 O ATOM 1185 CB TYR A 80 -23.487 2.600 2.666 1.00 0.00 C ATOM 1186 CG TYR A 80 -23.761 1.113 2.632 1.00 0.00 C ATOM 1187 CD1 TYR A 80 -22.978 0.265 1.861 1.00 0.00 C ATOM 1188 CD2 TYR A 80 -24.803 0.558 3.362 1.00 0.00 C ATOM 1189 CE1 TYR A 80 -23.221 -1.093 1.819 1.00 0.00 C ATOM 1190 CE2 TYR A 80 -25.054 -0.800 3.326 1.00 0.00 C ATOM 1191 CZ TYR A 80 -24.260 -1.621 2.552 1.00 0.00 C ATOM 1192 OH TYR A 80 -24.506 -2.975 2.510 1.00 0.00 O ATOM 0 H TYR A 80 -24.031 3.436 5.063 1.00 0.00 H new ATOM 0 HA TYR A 80 -21.662 2.283 3.755 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -24.423 3.129 2.844 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -23.123 2.916 1.688 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -22.163 0.676 1.283 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -25.427 1.198 3.968 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -22.600 -1.738 1.215 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -25.868 -1.217 3.901 1.00 0.00 H new ATOM 0 HH TYR A 80 -25.272 -3.186 3.083 1.00 0.00 H new ATOM 1202 N VAL A 81 -20.549 4.426 3.331 1.00 0.00 N ATOM 1203 CA VAL A 81 -19.841 5.659 3.007 1.00 0.00 C ATOM 1204 C VAL A 81 -19.367 5.636 1.555 1.00 0.00 C ATOM 1205 O VAL A 81 -19.165 4.566 0.986 1.00 0.00 O ATOM 1206 CB VAL A 81 -18.632 5.883 3.942 1.00 0.00 C ATOM 1207 CG1 VAL A 81 -19.101 6.219 5.349 1.00 0.00 C ATOM 1208 CG2 VAL A 81 -17.720 4.663 3.958 1.00 0.00 C ATOM 0 H VAL A 81 -19.940 3.627 3.506 1.00 0.00 H new ATOM 0 HA VAL A 81 -20.540 6.483 3.149 1.00 0.00 H new ATOM 0 HB VAL A 81 -18.059 6.727 3.557 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -18.236 6.373 5.994 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -19.702 7.128 5.325 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -19.701 5.397 5.738 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -16.877 4.848 4.624 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -18.278 3.796 4.311 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -17.351 4.471 2.950 1.00 0.00 H new ATOM 1218 N TRP A 82 -19.199 6.813 0.962 1.00 0.00 N ATOM 1219 CA TRP A 82 -18.757 6.918 -0.429 1.00 0.00 C ATOM 1220 C TRP A 82 -17.233 6.837 -0.534 1.00 0.00 C ATOM 1221 O TRP A 82 -16.529 7.814 -0.262 1.00 0.00 O ATOM 1222 CB TRP A 82 -19.244 8.233 -1.042 1.00 0.00 C ATOM 1223 CG TRP A 82 -20.606 8.150 -1.664 1.00 0.00 C ATOM 1224 CD1 TRP A 82 -21.726 7.572 -1.135 1.00 0.00 C ATOM 1225 CD2 TRP A 82 -20.993 8.677 -2.939 1.00 0.00 C ATOM 1226 NE1 TRP A 82 -22.783 7.707 -2.006 1.00 0.00 N ATOM 1227 CE2 TRP A 82 -22.357 8.380 -3.121 1.00 0.00 C ATOM 1228 CE3 TRP A 82 -20.317 9.370 -3.946 1.00 0.00 C ATOM 1229 CZ2 TRP A 82 -23.055 8.753 -4.266 1.00 0.00 C ATOM 1230 CZ3 TRP A 82 -21.012 9.739 -5.082 1.00 0.00 C ATOM 1231 CH2 TRP A 82 -22.370 9.430 -5.233 1.00 0.00 C ATOM 0 H TRP A 82 -19.362 7.709 1.421 1.00 0.00 H new ATOM 0 HA TRP A 82 -19.186 6.080 -0.978 1.00 0.00 H new ATOM 0 HB2 TRP A 82 -19.256 9.000 -0.268 1.00 0.00 H new ATOM 0 HB3 TRP A 82 -18.529 8.555 -1.799 1.00 0.00 H new ATOM 0 HD1 TRP A 82 -21.774 7.081 -0.174 1.00 0.00 H new ATOM 0 HE1 TRP A 82 -23.730 7.362 -1.847 1.00 0.00 H new ATOM 0 HE3 TRP A 82 -19.270 9.613 -3.839 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 -24.102 8.515 -4.385 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 -20.499 10.275 -5.867 1.00 0.00 H new ATOM 0 HH2 TRP A 82 -22.885 9.734 -6.132 1.00 0.00 H new ATOM 1242 N LEU A 83 -16.730 5.675 -0.942 1.00 0.00 N ATOM 1243 CA LEU A 83 -15.289 5.466 -1.070 1.00 0.00 C ATOM 1244 C LEU A 83 -14.906 5.071 -2.496 1.00 0.00 C ATOM 1245 O LEU A 83 -15.575 4.250 -3.125 1.00 0.00 O ATOM 1246 CB LEU A 83 -14.809 4.374 -0.104 1.00 0.00 C ATOM 1247 CG LEU A 83 -15.161 4.580 1.373 1.00 0.00 C ATOM 1248 CD1 LEU A 83 -14.440 3.560 2.236 1.00 0.00 C ATOM 1249 CD2 LEU A 83 -14.808 5.985 1.825 1.00 0.00 C ATOM 0 H LEU A 83 -17.297 4.864 -1.190 1.00 0.00 H new ATOM 0 HA LEU A 83 -14.806 6.411 -0.823 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -15.228 3.421 -0.427 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -13.726 4.291 -0.190 1.00 0.00 H new ATOM 0 HG LEU A 83 -16.237 4.443 1.485 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -14.700 3.720 3.282 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -14.738 2.555 1.937 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -13.363 3.672 2.109 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -15.068 6.105 2.877 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -13.739 6.151 1.694 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -15.363 6.709 1.229 1.00 0.00 H new ATOM 1261 N GLU A 84 -13.834 5.672 -2.997 1.00 0.00 N ATOM 1262 CA GLU A 84 -13.324 5.380 -4.333 1.00 0.00 C ATOM 1263 C GLU A 84 -12.041 4.563 -4.196 1.00 0.00 C ATOM 1264 O GLU A 84 -11.058 5.042 -3.642 1.00 0.00 O ATOM 1265 CB GLU A 84 -13.057 6.685 -5.088 1.00 0.00 C ATOM 1266 CG GLU A 84 -12.811 6.497 -6.575 1.00 0.00 C ATOM 1267 CD GLU A 84 -13.287 7.677 -7.394 1.00 0.00 C ATOM 1268 OE1 GLU A 84 -14.509 7.785 -7.634 1.00 0.00 O ATOM 1269 OE2 GLU A 84 -12.446 8.502 -7.806 1.00 0.00 O ATOM 0 H GLU A 84 -13.294 6.374 -2.491 1.00 0.00 H new ATOM 0 HA GLU A 84 -14.059 4.808 -4.899 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -13.908 7.352 -4.952 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -12.191 7.178 -4.646 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -11.746 6.345 -6.748 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -13.320 5.595 -6.913 1.00 0.00 H new ATOM 1276 N THR A 85 -12.042 3.338 -4.695 1.00 0.00 N ATOM 1277 CA THR A 85 -10.877 2.472 -4.551 1.00 0.00 C ATOM 1278 C THR A 85 -10.042 2.347 -5.826 1.00 0.00 C ATOM 1279 O THR A 85 -10.521 1.889 -6.863 1.00 0.00 O ATOM 1280 CB THR A 85 -11.308 1.067 -4.094 1.00 0.00 C ATOM 1281 OG1 THR A 85 -12.259 1.179 -3.027 1.00 0.00 O ATOM 1282 CG2 THR A 85 -10.113 0.251 -3.626 1.00 0.00 C ATOM 0 H THR A 85 -12.825 2.922 -5.198 1.00 0.00 H new ATOM 0 HA THR A 85 -10.247 2.947 -3.799 1.00 0.00 H new ATOM 0 HB THR A 85 -11.761 0.556 -4.943 1.00 0.00 H new ATOM 0 HG1 THR A 85 -12.092 2.004 -2.526 1.00 0.00 H new ATOM 0 HG21 THR A 85 -10.448 -0.737 -3.309 1.00 0.00 H new ATOM 0 HG22 THR A 85 -9.400 0.147 -4.444 1.00 0.00 H new ATOM 0 HG23 THR A 85 -9.633 0.757 -2.789 1.00 0.00 H new ATOM 1290 N GLN A 86 -8.785 2.754 -5.726 1.00 0.00 N ATOM 1291 CA GLN A 86 -7.842 2.661 -6.829 1.00 0.00 C ATOM 1292 C GLN A 86 -6.979 1.419 -6.612 1.00 0.00 C ATOM 1293 O GLN A 86 -6.094 1.416 -5.756 1.00 0.00 O ATOM 1294 CB GLN A 86 -6.975 3.923 -6.888 1.00 0.00 C ATOM 1295 CG GLN A 86 -5.937 3.911 -7.995 1.00 0.00 C ATOM 1296 CD GLN A 86 -5.262 5.257 -8.166 1.00 0.00 C ATOM 1297 OE1 GLN A 86 -5.124 6.027 -7.214 1.00 0.00 O ATOM 1298 NE2 GLN A 86 -4.846 5.559 -9.384 1.00 0.00 N ATOM 0 H GLN A 86 -8.391 3.158 -4.877 1.00 0.00 H new ATOM 0 HA GLN A 86 -8.373 2.579 -7.778 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -7.623 4.790 -7.021 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -6.468 4.048 -5.931 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -5.184 3.155 -7.775 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -6.413 3.624 -8.933 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -4.978 4.895 -10.147 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -4.393 6.456 -9.561 1.00 0.00 H new ATOM 1307 N GLY A 87 -7.248 0.365 -7.371 1.00 0.00 N ATOM 1308 CA GLY A 87 -6.515 -0.874 -7.196 1.00 0.00 C ATOM 1309 C GLY A 87 -5.404 -1.087 -8.205 1.00 0.00 C ATOM 1310 O GLY A 87 -5.592 -0.896 -9.406 1.00 0.00 O ATOM 0 H GLY A 87 -7.958 0.345 -8.103 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -6.088 -0.892 -6.193 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -7.213 -1.708 -7.260 1.00 0.00 H new ATOM 1314 N THR A 88 -4.244 -1.485 -7.704 1.00 0.00 N ATOM 1315 CA THR A 88 -3.087 -1.764 -8.537 1.00 0.00 C ATOM 1316 C THR A 88 -2.493 -3.122 -8.165 1.00 0.00 C ATOM 1317 O THR A 88 -2.014 -3.315 -7.045 1.00 0.00 O ATOM 1318 CB THR A 88 -2.011 -0.670 -8.387 1.00 0.00 C ATOM 1319 OG1 THR A 88 -2.582 0.613 -8.674 1.00 0.00 O ATOM 1320 CG2 THR A 88 -0.836 -0.928 -9.319 1.00 0.00 C ATOM 0 H THR A 88 -4.080 -1.623 -6.707 1.00 0.00 H new ATOM 0 HA THR A 88 -3.417 -1.779 -9.576 1.00 0.00 H new ATOM 0 HB THR A 88 -1.645 -0.688 -7.360 1.00 0.00 H new ATOM 0 HG1 THR A 88 -2.646 1.135 -7.847 1.00 0.00 H new ATOM 0 HG21 THR A 88 -0.092 -0.142 -9.193 1.00 0.00 H new ATOM 0 HG22 THR A 88 -0.388 -1.893 -9.081 1.00 0.00 H new ATOM 0 HG23 THR A 88 -1.185 -0.935 -10.352 1.00 0.00 H new ATOM 1328 N VAL A 89 -2.542 -4.060 -9.099 1.00 0.00 N ATOM 1329 CA VAL A 89 -2.025 -5.402 -8.872 1.00 0.00 C ATOM 1330 C VAL A 89 -0.512 -5.436 -9.037 1.00 0.00 C ATOM 1331 O VAL A 89 0.014 -5.245 -10.139 1.00 0.00 O ATOM 1332 CB VAL A 89 -2.658 -6.431 -9.835 1.00 0.00 C ATOM 1333 CG1 VAL A 89 -2.225 -7.847 -9.477 1.00 0.00 C ATOM 1334 CG2 VAL A 89 -4.174 -6.319 -9.824 1.00 0.00 C ATOM 0 H VAL A 89 -2.938 -3.915 -10.028 1.00 0.00 H new ATOM 0 HA VAL A 89 -2.289 -5.671 -7.849 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.305 -6.210 -10.842 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -2.683 -8.554 -10.169 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.140 -7.924 -9.546 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.541 -8.078 -8.460 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -4.598 -7.053 -10.509 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -4.545 -6.506 -8.816 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -4.467 -5.317 -10.138 1.00 0.00 H new ATOM 1344 N ILE A 90 0.183 -5.667 -7.937 1.00 0.00 N ATOM 1345 CA ILE A 90 1.632 -5.742 -7.953 1.00 0.00 C ATOM 1346 C ILE A 90 2.074 -7.195 -8.008 1.00 0.00 C ATOM 1347 O ILE A 90 1.517 -8.050 -7.318 1.00 0.00 O ATOM 1348 CB ILE A 90 2.258 -5.064 -6.718 1.00 0.00 C ATOM 1349 CG1 ILE A 90 1.452 -5.398 -5.461 1.00 0.00 C ATOM 1350 CG2 ILE A 90 2.340 -3.559 -6.928 1.00 0.00 C ATOM 1351 CD1 ILE A 90 2.161 -5.045 -4.174 1.00 0.00 C ATOM 0 H ILE A 90 -0.236 -5.806 -7.018 1.00 0.00 H new ATOM 0 HA ILE A 90 1.977 -5.211 -8.840 1.00 0.00 H new ATOM 0 HB ILE A 90 3.270 -5.445 -6.583 1.00 0.00 H new ATOM 0 HG12 ILE A 90 0.500 -4.868 -5.499 1.00 0.00 H new ATOM 0 HG13 ILE A 90 1.223 -6.464 -5.459 1.00 0.00 H new ATOM 0 HG21 ILE A 90 2.784 -3.093 -6.049 1.00 0.00 H new ATOM 0 HG22 ILE A 90 2.956 -3.347 -7.801 1.00 0.00 H new ATOM 0 HG23 ILE A 90 1.338 -3.158 -7.085 1.00 0.00 H new ATOM 0 HD11 ILE A 90 1.529 -5.310 -3.326 1.00 0.00 H new ATOM 0 HD12 ILE A 90 3.100 -5.595 -4.113 1.00 0.00 H new ATOM 0 HD13 ILE A 90 2.366 -3.975 -4.153 1.00 0.00 H new ATOM 1363 N TYR A 91 3.055 -7.475 -8.842 1.00 0.00 N ATOM 1364 CA TYR A 91 3.561 -8.827 -8.981 1.00 0.00 C ATOM 1365 C TYR A 91 4.923 -8.949 -8.324 1.00 0.00 C ATOM 1366 O TYR A 91 5.654 -7.967 -8.207 1.00 0.00 O ATOM 1367 CB TYR A 91 3.658 -9.214 -10.459 1.00 0.00 C ATOM 1368 CG TYR A 91 2.321 -9.271 -11.165 1.00 0.00 C ATOM 1369 CD1 TYR A 91 1.727 -8.116 -11.658 1.00 0.00 C ATOM 1370 CD2 TYR A 91 1.656 -10.478 -11.343 1.00 0.00 C ATOM 1371 CE1 TYR A 91 0.509 -8.161 -12.306 1.00 0.00 C ATOM 1372 CE2 TYR A 91 0.436 -10.530 -11.991 1.00 0.00 C ATOM 1373 CZ TYR A 91 -0.132 -9.369 -12.470 1.00 0.00 C ATOM 1374 OH TYR A 91 -1.343 -9.419 -13.121 1.00 0.00 O ATOM 0 H TYR A 91 3.518 -6.785 -9.434 1.00 0.00 H new ATOM 0 HA TYR A 91 2.867 -9.506 -8.486 1.00 0.00 H new ATOM 0 HB2 TYR A 91 4.299 -8.496 -10.971 1.00 0.00 H new ATOM 0 HB3 TYR A 91 4.142 -10.187 -10.539 1.00 0.00 H new ATOM 0 HD1 TYR A 91 2.227 -7.167 -11.532 1.00 0.00 H new ATOM 0 HD2 TYR A 91 2.099 -11.389 -10.969 1.00 0.00 H new ATOM 0 HE1 TYR A 91 0.061 -7.253 -12.683 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -0.070 -11.475 -12.121 1.00 0.00 H new ATOM 0 HH TYR A 91 -1.659 -10.346 -13.153 1.00 0.00 H new ATOM 1384 N ASN A 92 5.245 -10.146 -7.872 1.00 0.00 N ATOM 1385 CA ASN A 92 6.529 -10.412 -7.239 1.00 0.00 C ATOM 1386 C ASN A 92 7.612 -10.537 -8.313 1.00 0.00 C ATOM 1387 O ASN A 92 7.477 -11.328 -9.242 1.00 0.00 O ATOM 1388 CB ASN A 92 6.427 -11.687 -6.396 1.00 0.00 C ATOM 1389 CG ASN A 92 7.774 -12.264 -6.010 1.00 0.00 C ATOM 1390 OD1 ASN A 92 8.316 -13.108 -6.718 1.00 0.00 O ATOM 1391 ND2 ASN A 92 8.320 -11.820 -4.885 1.00 0.00 N ATOM 0 H ASN A 92 4.631 -10.958 -7.931 1.00 0.00 H new ATOM 0 HA ASN A 92 6.800 -9.588 -6.579 1.00 0.00 H new ATOM 0 HB2 ASN A 92 5.860 -11.470 -5.491 1.00 0.00 H new ATOM 0 HB3 ASN A 92 5.865 -12.437 -6.952 1.00 0.00 H new ATOM 0 HD21 ASN A 92 9.224 -12.181 -4.580 1.00 0.00 H new ATOM 0 HD22 ASN A 92 7.836 -11.118 -4.326 1.00 0.00 H new ATOM 1398 N PRO A 93 8.703 -9.761 -8.192 1.00 0.00 N ATOM 1399 CA PRO A 93 9.801 -9.749 -9.179 1.00 0.00 C ATOM 1400 C PRO A 93 10.698 -10.993 -9.152 1.00 0.00 C ATOM 1401 O PRO A 93 11.906 -10.899 -9.366 1.00 0.00 O ATOM 1402 CB PRO A 93 10.606 -8.512 -8.782 1.00 0.00 C ATOM 1403 CG PRO A 93 10.361 -8.353 -7.321 1.00 0.00 C ATOM 1404 CD PRO A 93 8.955 -8.823 -7.081 1.00 0.00 C ATOM 0 HA PRO A 93 9.406 -9.739 -10.195 1.00 0.00 H new ATOM 0 HB2 PRO A 93 11.667 -8.646 -8.993 1.00 0.00 H new ATOM 0 HB3 PRO A 93 10.279 -7.632 -9.336 1.00 0.00 H new ATOM 0 HG2 PRO A 93 11.073 -8.940 -6.740 1.00 0.00 H new ATOM 0 HG3 PRO A 93 10.482 -7.313 -7.016 1.00 0.00 H new ATOM 0 HD2 PRO A 93 8.857 -9.314 -6.113 1.00 0.00 H new ATOM 0 HD3 PRO A 93 8.249 -7.993 -7.090 1.00 0.00 H new ATOM 1412 N ARG A 94 10.107 -12.149 -8.904 1.00 0.00 N ATOM 1413 CA ARG A 94 10.849 -13.402 -8.872 1.00 0.00 C ATOM 1414 C ARG A 94 10.014 -14.517 -9.495 1.00 0.00 C ATOM 1415 O ARG A 94 10.369 -15.070 -10.535 1.00 0.00 O ATOM 1416 CB ARG A 94 11.234 -13.769 -7.436 1.00 0.00 C ATOM 1417 CG ARG A 94 12.563 -13.190 -6.981 1.00 0.00 C ATOM 1418 CD ARG A 94 13.738 -13.984 -7.532 1.00 0.00 C ATOM 1419 NE ARG A 94 14.702 -14.324 -6.488 1.00 0.00 N ATOM 1420 CZ ARG A 94 15.035 -15.573 -6.154 1.00 0.00 C ATOM 1421 NH1 ARG A 94 14.528 -16.604 -6.819 1.00 0.00 N ATOM 1422 NH2 ARG A 94 15.887 -15.787 -5.161 1.00 0.00 N ATOM 0 H ARG A 94 9.109 -12.248 -8.720 1.00 0.00 H new ATOM 0 HA ARG A 94 11.765 -13.277 -9.449 1.00 0.00 H new ATOM 0 HB2 ARG A 94 10.450 -13.424 -6.762 1.00 0.00 H new ATOM 0 HB3 ARG A 94 11.274 -14.855 -7.349 1.00 0.00 H new ATOM 0 HG2 ARG A 94 12.639 -12.153 -7.307 1.00 0.00 H new ATOM 0 HG3 ARG A 94 12.605 -13.186 -5.892 1.00 0.00 H new ATOM 0 HD2 ARG A 94 13.371 -14.898 -8.000 1.00 0.00 H new ATOM 0 HD3 ARG A 94 14.235 -13.405 -8.310 1.00 0.00 H new ATOM 0 HE ARG A 94 15.149 -13.559 -5.983 1.00 0.00 H new ATOM 0 HH11 ARG A 94 13.880 -16.444 -7.590 1.00 0.00 H new ATOM 0 HH12 ARG A 94 14.787 -17.556 -6.559 1.00 0.00 H new ATOM 0 HH21 ARG A 94 16.287 -14.998 -4.653 1.00 0.00 H new ATOM 0 HH22 ARG A 94 16.142 -16.741 -4.905 1.00 0.00 H new ATOM 1436 N ASN A 95 8.894 -14.831 -8.856 1.00 0.00 N ATOM 1437 CA ASN A 95 7.995 -15.872 -9.346 1.00 0.00 C ATOM 1438 C ASN A 95 6.916 -15.258 -10.237 1.00 0.00 C ATOM 1439 O ASN A 95 6.159 -15.965 -10.902 1.00 0.00 O ATOM 1440 CB ASN A 95 7.358 -16.619 -8.165 1.00 0.00 C ATOM 1441 CG ASN A 95 6.412 -17.728 -8.598 1.00 0.00 C ATOM 1442 OD1 ASN A 95 5.203 -17.650 -8.378 1.00 0.00 O ATOM 1443 ND2 ASN A 95 6.951 -18.757 -9.230 1.00 0.00 N ATOM 0 H ASN A 95 8.585 -14.379 -7.995 1.00 0.00 H new ATOM 0 HA ASN A 95 8.568 -16.585 -9.938 1.00 0.00 H new ATOM 0 HB2 ASN A 95 8.147 -17.045 -7.545 1.00 0.00 H new ATOM 0 HB3 ASN A 95 6.813 -15.907 -7.544 1.00 0.00 H new ATOM 0 HD21 ASN A 95 6.360 -19.523 -9.554 1.00 0.00 H new ATOM 0 HD22 ASN A 95 7.957 -18.785 -9.393 1.00 0.00 H new ATOM 1450 N LEU A 96 6.876 -13.924 -10.249 1.00 0.00 N ATOM 1451 CA LEU A 96 5.908 -13.160 -11.040 1.00 0.00 C ATOM 1452 C LEU A 96 4.487 -13.420 -10.557 1.00 0.00 C ATOM 1453 O LEU A 96 3.516 -13.222 -11.289 1.00 0.00 O ATOM 1454 CB LEU A 96 6.041 -13.474 -12.535 1.00 0.00 C ATOM 1455 CG LEU A 96 6.730 -12.386 -13.362 1.00 0.00 C ATOM 1456 CD1 LEU A 96 5.863 -11.136 -13.429 1.00 0.00 C ATOM 1457 CD2 LEU A 96 8.098 -12.056 -12.778 1.00 0.00 C ATOM 0 H LEU A 96 7.516 -13.341 -9.709 1.00 0.00 H new ATOM 0 HA LEU A 96 6.127 -12.101 -10.901 1.00 0.00 H new ATOM 0 HB2 LEU A 96 6.598 -14.404 -12.648 1.00 0.00 H new ATOM 0 HB3 LEU A 96 5.046 -13.647 -12.945 1.00 0.00 H new ATOM 0 HG LEU A 96 6.870 -12.762 -14.375 1.00 0.00 H new ATOM 0 HD11 LEU A 96 6.369 -10.373 -14.021 1.00 0.00 H new ATOM 0 HD12 LEU A 96 4.907 -11.380 -13.893 1.00 0.00 H new ATOM 0 HD13 LEU A 96 5.691 -10.758 -12.421 1.00 0.00 H new ATOM 0 HD21 LEU A 96 8.573 -11.281 -13.379 1.00 0.00 H new ATOM 0 HD22 LEU A 96 7.980 -11.701 -11.754 1.00 0.00 H new ATOM 0 HD23 LEU A 96 8.721 -12.951 -12.782 1.00 0.00 H new ATOM 1469 N GLN A 97 4.386 -13.848 -9.308 1.00 0.00 N ATOM 1470 CA GLN A 97 3.105 -14.138 -8.685 1.00 0.00 C ATOM 1471 C GLN A 97 2.426 -12.850 -8.235 1.00 0.00 C ATOM 1472 O GLN A 97 3.096 -11.902 -7.817 1.00 0.00 O ATOM 1473 CB GLN A 97 3.307 -15.062 -7.480 1.00 0.00 C ATOM 1474 CG GLN A 97 4.445 -14.624 -6.573 1.00 0.00 C ATOM 1475 CD GLN A 97 4.603 -15.507 -5.357 1.00 0.00 C ATOM 1476 OE1 GLN A 97 5.283 -16.529 -5.401 1.00 0.00 O ATOM 1477 NE2 GLN A 97 3.999 -15.107 -4.253 1.00 0.00 N ATOM 0 H GLN A 97 5.189 -14.004 -8.699 1.00 0.00 H new ATOM 0 HA GLN A 97 2.468 -14.633 -9.418 1.00 0.00 H new ATOM 0 HB2 GLN A 97 2.384 -15.100 -6.901 1.00 0.00 H new ATOM 0 HB3 GLN A 97 3.503 -16.074 -7.835 1.00 0.00 H new ATOM 0 HG2 GLN A 97 5.376 -14.626 -7.140 1.00 0.00 H new ATOM 0 HG3 GLN A 97 4.271 -13.598 -6.250 1.00 0.00 H new ATOM 0 HE21 GLN A 97 3.443 -14.252 -4.257 1.00 0.00 H new ATOM 0 HE22 GLN A 97 4.089 -15.653 -3.396 1.00 0.00 H new ATOM 1486 N PRO A 98 1.094 -12.787 -8.339 1.00 0.00 N ATOM 1487 CA PRO A 98 0.326 -11.619 -7.919 1.00 0.00 C ATOM 1488 C PRO A 98 0.318 -11.483 -6.403 1.00 0.00 C ATOM 1489 O PRO A 98 -0.083 -12.404 -5.686 1.00 0.00 O ATOM 1490 CB PRO A 98 -1.091 -11.892 -8.442 1.00 0.00 C ATOM 1491 CG PRO A 98 -0.962 -13.058 -9.367 1.00 0.00 C ATOM 1492 CD PRO A 98 0.227 -13.836 -8.885 1.00 0.00 C ATOM 0 HA PRO A 98 0.747 -10.690 -8.303 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -1.774 -12.116 -7.623 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -1.491 -11.022 -8.962 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -1.863 -13.671 -9.350 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -0.821 -12.727 -10.396 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -0.048 -14.570 -8.127 1.00 0.00 H new ATOM 0 HD3 PRO A 98 0.711 -14.381 -9.696 1.00 0.00 H new ATOM 1500 N GLN A 99 0.774 -10.343 -5.917 1.00 0.00 N ATOM 1501 CA GLN A 99 0.822 -10.097 -4.488 1.00 0.00 C ATOM 1502 C GLN A 99 -0.439 -9.378 -4.024 1.00 0.00 C ATOM 1503 O GLN A 99 -1.470 -9.406 -4.704 1.00 0.00 O ATOM 1504 CB GLN A 99 2.058 -9.270 -4.132 1.00 0.00 C ATOM 1505 CG GLN A 99 3.370 -10.030 -4.258 1.00 0.00 C ATOM 1506 CD GLN A 99 3.313 -11.413 -3.635 1.00 0.00 C ATOM 1507 OE1 GLN A 99 3.151 -12.415 -4.330 1.00 0.00 O ATOM 1508 NE2 GLN A 99 3.414 -11.473 -2.319 1.00 0.00 N ATOM 0 H GLN A 99 1.116 -9.573 -6.491 1.00 0.00 H new ATOM 0 HA GLN A 99 0.882 -11.058 -3.978 1.00 0.00 H new ATOM 0 HB2 GLN A 99 2.094 -8.394 -4.779 1.00 0.00 H new ATOM 0 HB3 GLN A 99 1.957 -8.907 -3.109 1.00 0.00 H new ATOM 0 HG2 GLN A 99 3.631 -10.122 -5.312 1.00 0.00 H new ATOM 0 HG3 GLN A 99 4.164 -9.455 -3.782 1.00 0.00 H new ATOM 0 HE21 GLN A 99 3.548 -10.619 -1.778 1.00 0.00 H new ATOM 0 HE22 GLN A 99 3.358 -12.374 -1.844 1.00 0.00 H new ATOM 1517 N CYS A 100 -0.354 -8.750 -2.862 1.00 0.00 N ATOM 1518 CA CYS A 100 -1.476 -8.018 -2.307 1.00 0.00 C ATOM 1519 C CYS A 100 -1.738 -6.762 -3.125 1.00 0.00 C ATOM 1520 O CYS A 100 -0.946 -5.819 -3.101 1.00 0.00 O ATOM 1521 CB CYS A 100 -1.194 -7.654 -0.852 1.00 0.00 C ATOM 1522 SG CYS A 100 0.021 -8.724 -0.049 1.00 0.00 S ATOM 0 H CYS A 100 0.486 -8.734 -2.284 1.00 0.00 H new ATOM 0 HA CYS A 100 -2.364 -8.649 -2.344 1.00 0.00 H new ATOM 0 HB2 CYS A 100 -0.841 -6.624 -0.808 1.00 0.00 H new ATOM 0 HB3 CYS A 100 -2.127 -7.696 -0.290 1.00 0.00 H new ATOM 0 HG CYS A 100 1.133 -8.071 0.115 1.00 0.00 H new ATOM 1528 N ILE A 101 -2.845 -6.769 -3.852 1.00 0.00 N ATOM 1529 CA ILE A 101 -3.231 -5.648 -4.693 1.00 0.00 C ATOM 1530 C ILE A 101 -3.327 -4.363 -3.880 1.00 0.00 C ATOM 1531 O ILE A 101 -4.069 -4.290 -2.896 1.00 0.00 O ATOM 1532 CB ILE A 101 -4.586 -5.917 -5.385 1.00 0.00 C ATOM 1533 CG1 ILE A 101 -4.518 -7.210 -6.203 1.00 0.00 C ATOM 1534 CG2 ILE A 101 -4.979 -4.745 -6.271 1.00 0.00 C ATOM 1535 CD1 ILE A 101 -5.871 -7.722 -6.654 1.00 0.00 C ATOM 0 H ILE A 101 -3.500 -7.551 -3.875 1.00 0.00 H new ATOM 0 HA ILE A 101 -2.459 -5.531 -5.453 1.00 0.00 H new ATOM 0 HB ILE A 101 -5.349 -6.033 -4.615 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -3.893 -7.041 -7.080 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -4.029 -7.980 -5.607 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -5.936 -4.955 -6.749 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -5.066 -3.844 -5.664 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -4.217 -4.595 -7.036 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -5.740 -8.640 -7.227 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -6.493 -7.924 -5.782 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -6.355 -6.971 -7.278 1.00 0.00 H new ATOM 1547 N MET A 102 -2.563 -3.360 -4.290 1.00 0.00 N ATOM 1548 CA MET A 102 -2.558 -2.074 -3.614 1.00 0.00 C ATOM 1549 C MET A 102 -3.881 -1.371 -3.860 1.00 0.00 C ATOM 1550 O MET A 102 -4.159 -0.935 -4.973 1.00 0.00 O ATOM 1551 CB MET A 102 -1.403 -1.204 -4.114 1.00 0.00 C ATOM 1552 CG MET A 102 -0.040 -1.853 -3.961 1.00 0.00 C ATOM 1553 SD MET A 102 1.282 -0.883 -4.713 1.00 0.00 S ATOM 1554 CE MET A 102 1.288 0.561 -3.651 1.00 0.00 C ATOM 0 H MET A 102 -1.936 -3.415 -5.093 1.00 0.00 H new ATOM 0 HA MET A 102 -2.424 -2.238 -2.545 1.00 0.00 H new ATOM 0 HB2 MET A 102 -1.567 -0.967 -5.165 1.00 0.00 H new ATOM 0 HB3 MET A 102 -1.409 -0.260 -3.570 1.00 0.00 H new ATOM 0 HG2 MET A 102 0.175 -1.992 -2.901 1.00 0.00 H new ATOM 0 HG3 MET A 102 -0.061 -2.844 -4.415 1.00 0.00 H new ATOM 0 HE1 MET A 102 2.309 0.923 -3.535 1.00 0.00 H new ATOM 0 HE2 MET A 102 0.674 1.343 -4.097 1.00 0.00 H new ATOM 0 HE3 MET A 102 0.884 0.296 -2.674 1.00 0.00 H new ATOM 1564 N CYS A 103 -4.703 -1.287 -2.831 1.00 0.00 N ATOM 1565 CA CYS A 103 -6.002 -0.654 -2.952 1.00 0.00 C ATOM 1566 C CYS A 103 -6.034 0.672 -2.207 1.00 0.00 C ATOM 1567 O CYS A 103 -6.226 0.710 -0.990 1.00 0.00 O ATOM 1568 CB CYS A 103 -7.089 -1.584 -2.410 1.00 0.00 C ATOM 1569 SG CYS A 103 -6.927 -3.301 -2.955 1.00 0.00 S ATOM 0 H CYS A 103 -4.494 -1.650 -1.901 1.00 0.00 H new ATOM 0 HA CYS A 103 -6.189 -0.457 -4.008 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -7.067 -1.556 -1.321 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -8.064 -1.206 -2.719 1.00 0.00 H new ATOM 0 HG CYS A 103 -5.677 -3.656 -2.906 1.00 0.00 H new ATOM 1575 N VAL A 104 -5.817 1.756 -2.934 1.00 0.00 N ATOM 1576 CA VAL A 104 -5.849 3.080 -2.342 1.00 0.00 C ATOM 1577 C VAL A 104 -7.291 3.552 -2.294 1.00 0.00 C ATOM 1578 O VAL A 104 -7.898 3.823 -3.331 1.00 0.00 O ATOM 1579 CB VAL A 104 -4.998 4.093 -3.137 1.00 0.00 C ATOM 1580 CG1 VAL A 104 -4.726 5.334 -2.301 1.00 0.00 C ATOM 1581 CG2 VAL A 104 -3.696 3.462 -3.603 1.00 0.00 C ATOM 0 H VAL A 104 -5.617 1.743 -3.934 1.00 0.00 H new ATOM 0 HA VAL A 104 -5.426 3.019 -1.339 1.00 0.00 H new ATOM 0 HB VAL A 104 -5.562 4.391 -4.021 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -4.125 6.037 -2.878 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -5.671 5.803 -2.028 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -4.187 5.052 -1.397 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -3.115 4.196 -4.161 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -3.124 3.127 -2.738 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -3.915 2.609 -4.245 1.00 0.00 H new ATOM 1591 N ASN A 105 -7.849 3.622 -1.100 1.00 0.00 N ATOM 1592 CA ASN A 105 -9.233 4.028 -0.947 1.00 0.00 C ATOM 1593 C ASN A 105 -9.348 5.513 -0.642 1.00 0.00 C ATOM 1594 O ASN A 105 -8.842 6.001 0.374 1.00 0.00 O ATOM 1595 CB ASN A 105 -9.915 3.212 0.148 1.00 0.00 C ATOM 1596 CG ASN A 105 -11.253 2.655 -0.298 1.00 0.00 C ATOM 1597 OD1 ASN A 105 -11.913 3.210 -1.174 1.00 0.00 O ATOM 1598 ND2 ASN A 105 -11.664 1.550 0.305 1.00 0.00 N ATOM 0 H ASN A 105 -7.369 3.404 -0.227 1.00 0.00 H new ATOM 0 HA ASN A 105 -9.737 3.839 -1.895 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -9.263 2.391 0.445 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -10.060 3.839 1.028 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -12.557 1.130 0.047 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -11.088 1.119 1.028 1.00 0.00 H new ATOM 1605 N TYR A 106 -10.018 6.221 -1.534 1.00 0.00 N ATOM 1606 CA TYR A 106 -10.220 7.651 -1.403 1.00 0.00 C ATOM 1607 C TYR A 106 -11.578 7.934 -0.781 1.00 0.00 C ATOM 1608 O TYR A 106 -12.614 7.632 -1.371 1.00 0.00 O ATOM 1609 CB TYR A 106 -10.119 8.332 -2.776 1.00 0.00 C ATOM 1610 CG TYR A 106 -8.751 8.226 -3.416 1.00 0.00 C ATOM 1611 CD1 TYR A 106 -8.350 7.060 -4.054 1.00 0.00 C ATOM 1612 CD2 TYR A 106 -7.860 9.291 -3.376 1.00 0.00 C ATOM 1613 CE1 TYR A 106 -7.103 6.956 -4.635 1.00 0.00 C ATOM 1614 CE2 TYR A 106 -6.608 9.195 -3.954 1.00 0.00 C ATOM 1615 CZ TYR A 106 -6.235 8.024 -4.582 1.00 0.00 C ATOM 1616 OH TYR A 106 -4.988 7.919 -5.154 1.00 0.00 O ATOM 0 H TYR A 106 -10.438 5.818 -2.372 1.00 0.00 H new ATOM 0 HA TYR A 106 -9.443 8.054 -0.754 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -10.857 7.890 -3.445 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -10.378 9.385 -2.668 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -9.026 6.219 -4.096 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -8.150 10.208 -2.886 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -6.809 6.042 -5.129 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -5.926 10.031 -3.914 1.00 0.00 H new ATOM 0 HH TYR A 106 -5.017 7.266 -5.884 1.00 0.00 H new ATOM 1626 N VAL A 107 -11.564 8.486 0.422 1.00 0.00 N ATOM 1627 CA VAL A 107 -12.792 8.827 1.126 1.00 0.00 C ATOM 1628 C VAL A 107 -13.286 10.191 0.668 1.00 0.00 C ATOM 1629 O VAL A 107 -12.652 11.208 0.947 1.00 0.00 O ATOM 1630 CB VAL A 107 -12.575 8.855 2.653 1.00 0.00 C ATOM 1631 CG1 VAL A 107 -13.880 9.138 3.381 1.00 0.00 C ATOM 1632 CG2 VAL A 107 -11.968 7.545 3.127 1.00 0.00 C ATOM 0 H VAL A 107 -10.711 8.709 0.935 1.00 0.00 H new ATOM 0 HA VAL A 107 -13.533 8.062 0.895 1.00 0.00 H new ATOM 0 HB VAL A 107 -11.879 9.661 2.884 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -13.701 9.153 4.456 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -14.271 10.105 3.065 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -14.605 8.359 3.144 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -11.821 7.581 4.206 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -12.639 6.722 2.880 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -11.008 7.390 2.635 1.00 0.00 H new ATOM 1642 N LEU A 108 -14.400 10.214 -0.044 1.00 0.00 N ATOM 1643 CA LEU A 108 -14.949 11.466 -0.545 1.00 0.00 C ATOM 1644 C LEU A 108 -16.077 11.969 0.343 1.00 0.00 C ATOM 1645 O LEU A 108 -15.880 12.858 1.172 1.00 0.00 O ATOM 1646 CB LEU A 108 -15.457 11.298 -1.979 1.00 0.00 C ATOM 1647 CG LEU A 108 -14.372 11.084 -3.036 1.00 0.00 C ATOM 1648 CD1 LEU A 108 -14.212 9.608 -3.351 1.00 0.00 C ATOM 1649 CD2 LEU A 108 -14.699 11.865 -4.296 1.00 0.00 C ATOM 0 H LEU A 108 -14.941 9.385 -0.288 1.00 0.00 H new ATOM 0 HA LEU A 108 -14.146 12.203 -0.535 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -16.141 10.450 -2.008 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -16.034 12.182 -2.248 1.00 0.00 H new ATOM 0 HG LEU A 108 -13.427 11.451 -2.636 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -13.435 9.479 -4.105 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -13.931 9.071 -2.445 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -15.155 9.213 -3.730 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -13.917 11.702 -5.038 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -15.655 11.527 -4.696 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -14.760 12.927 -4.060 1.00 0.00 H new ATOM 1661 N SER A 109 -17.253 11.391 0.170 1.00 0.00 N ATOM 1662 CA SER A 109 -18.419 11.785 0.940 1.00 0.00 C ATOM 1663 C SER A 109 -18.529 10.969 2.225 1.00 0.00 C ATOM 1664 O SER A 109 -17.747 10.044 2.461 1.00 0.00 O ATOM 1665 CB SER A 109 -19.679 11.609 0.092 1.00 0.00 C ATOM 1666 OG SER A 109 -19.394 11.805 -1.287 1.00 0.00 O ATOM 0 H SER A 109 -17.426 10.643 -0.501 1.00 0.00 H new ATOM 0 HA SER A 109 -18.313 12.834 1.217 1.00 0.00 H new ATOM 0 HB2 SER A 109 -20.088 10.610 0.244 1.00 0.00 H new ATOM 0 HB3 SER A 109 -20.441 12.318 0.414 1.00 0.00 H new ATOM 0 HG SER A 109 -20.214 11.686 -1.811 1.00 0.00 H new ATOM 1672 N GLU A 110 -19.501 11.321 3.052 1.00 0.00 N ATOM 1673 CA GLU A 110 -19.731 10.632 4.311 1.00 0.00 C ATOM 1674 C GLU A 110 -20.742 9.502 4.121 1.00 0.00 C ATOM 1675 O GLU A 110 -20.919 8.996 3.010 1.00 0.00 O ATOM 1676 CB GLU A 110 -20.214 11.615 5.391 1.00 0.00 C ATOM 1677 CG GLU A 110 -21.501 12.355 5.045 1.00 0.00 C ATOM 1678 CD GLU A 110 -21.287 13.461 4.034 1.00 0.00 C ATOM 1679 OE1 GLU A 110 -20.952 14.590 4.443 1.00 0.00 O ATOM 1680 OE2 GLU A 110 -21.443 13.197 2.824 1.00 0.00 O ATOM 0 H GLU A 110 -20.149 12.088 2.871 1.00 0.00 H new ATOM 0 HA GLU A 110 -18.787 10.201 4.644 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -20.364 11.067 6.321 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -19.428 12.347 5.575 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -22.229 11.645 4.652 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -21.928 12.778 5.955 1.00 0.00 H new ATOM 1687 N ILE A 111 -21.405 9.122 5.203 1.00 0.00 N ATOM 1688 CA ILE A 111 -22.390 8.049 5.175 1.00 0.00 C ATOM 1689 C ILE A 111 -23.641 8.461 4.400 1.00 0.00 C ATOM 1690 O ILE A 111 -24.184 9.548 4.608 1.00 0.00 O ATOM 1691 CB ILE A 111 -22.796 7.633 6.602 1.00 0.00 C ATOM 1692 CG1 ILE A 111 -21.576 7.651 7.527 1.00 0.00 C ATOM 1693 CG2 ILE A 111 -23.435 6.253 6.588 1.00 0.00 C ATOM 1694 CD1 ILE A 111 -21.906 7.395 8.980 1.00 0.00 C ATOM 0 H ILE A 111 -21.277 9.546 6.122 1.00 0.00 H new ATOM 0 HA ILE A 111 -21.923 7.203 4.671 1.00 0.00 H new ATOM 0 HB ILE A 111 -23.527 8.348 6.980 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -20.864 6.898 7.188 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -21.082 8.619 7.442 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -23.717 5.972 7.603 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -24.323 6.270 5.956 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -22.724 5.527 6.195 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -20.991 7.424 9.571 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -22.593 8.162 9.338 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -22.372 6.415 9.080 1.00 0.00 H new ATOM 1706 N GLU A 112 -24.081 7.588 3.506 1.00 0.00 N ATOM 1707 CA GLU A 112 -25.264 7.835 2.701 1.00 0.00 C ATOM 1708 C GLU A 112 -26.497 7.286 3.413 1.00 0.00 C ATOM 1709 O GLU A 112 -26.824 6.098 3.216 1.00 0.00 O ATOM 1710 CB GLU A 112 -25.108 7.183 1.322 1.00 0.00 C ATOM 1711 CG GLU A 112 -26.197 7.562 0.333 1.00 0.00 C ATOM 1712 CD GLU A 112 -26.138 6.739 -0.936 1.00 0.00 C ATOM 1713 OE1 GLU A 112 -26.733 5.642 -0.970 1.00 0.00 O ATOM 1714 OE2 GLU A 112 -25.502 7.186 -1.917 1.00 0.00 O ATOM 1715 OXT GLU A 112 -27.126 8.040 4.183 1.00 0.00 O ATOM 0 H GLU A 112 -23.629 6.693 3.320 1.00 0.00 H new ATOM 0 HA GLU A 112 -25.386 8.909 2.564 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -24.140 7.463 0.906 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -25.102 6.100 1.442 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -27.172 7.431 0.803 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -26.104 8.619 0.082 1.00 0.00 H new TER 1722 GLU A 112 ATOM 1723 N CYS B 7 5.995 -16.969 8.746 1.00 1.33 N ATOM 1724 CA CYS B 7 6.218 -17.140 7.296 1.00 1.38 C ATOM 1725 C CYS B 7 5.506 -16.035 6.526 1.00 1.15 C ATOM 1726 O CYS B 7 4.283 -16.059 6.370 1.00 1.28 O ATOM 1727 CB CYS B 7 5.719 -18.516 6.847 1.00 1.79 C ATOM 1728 SG CYS B 7 6.380 -19.890 7.825 1.00 2.58 S ATOM 0 HA CYS B 7 7.286 -17.075 7.089 1.00 1.38 H new ATOM 0 HB2 CYS B 7 4.631 -18.533 6.903 1.00 1.79 H new ATOM 0 HB3 CYS B 7 5.987 -18.665 5.801 1.00 1.79 H new ATOM 0 HG CYS B 7 5.902 -21.012 7.375 1.00 2.58 H new ATOM 1736 N GLN B 8 6.273 -15.057 6.067 1.00 0.90 N ATOM 1737 CA GLN B 8 5.730 -13.934 5.321 1.00 0.76 C ATOM 1738 C GLN B 8 6.614 -13.622 4.121 1.00 0.65 C ATOM 1739 O GLN B 8 7.841 -13.600 4.236 1.00 0.64 O ATOM 1740 CB GLN B 8 5.612 -12.699 6.223 1.00 0.71 C ATOM 1741 CG GLN B 8 4.456 -12.765 7.214 1.00 0.89 C ATOM 1742 CD GLN B 8 3.102 -12.694 6.534 1.00 1.17 C ATOM 1743 OE1 GLN B 8 2.543 -11.613 6.345 1.00 1.79 O ATOM 1744 NE2 GLN B 8 2.568 -13.845 6.156 1.00 1.90 N ATOM 0 H GLN B 8 7.284 -15.020 6.201 1.00 0.90 H new ATOM 0 HA GLN B 8 4.735 -14.203 4.966 1.00 0.76 H new ATOM 0 HB2 GLN B 8 6.544 -12.574 6.775 1.00 0.71 H new ATOM 0 HB3 GLN B 8 5.491 -11.815 5.597 1.00 0.71 H new ATOM 0 HG2 GLN B 8 4.524 -13.691 7.785 1.00 0.89 H new ATOM 0 HG3 GLN B 8 4.545 -11.944 7.926 1.00 0.89 H new ATOM 0 HE21 GLN B 8 3.064 -14.719 6.331 1.00 1.90 H new ATOM 0 HE22 GLN B 8 1.661 -13.858 5.690 1.00 1.90 H new ATOM 1753 N PRO B 9 6.005 -13.407 2.947 1.00 0.64 N ATOM 1754 CA PRO B 9 6.739 -13.091 1.718 1.00 0.56 C ATOM 1755 C PRO B 9 7.481 -11.759 1.811 1.00 0.44 C ATOM 1756 O PRO B 9 7.146 -10.900 2.631 1.00 0.38 O ATOM 1757 CB PRO B 9 5.647 -13.027 0.644 1.00 0.61 C ATOM 1758 CG PRO B 9 4.378 -12.801 1.390 1.00 0.75 C ATOM 1759 CD PRO B 9 4.551 -13.467 2.723 1.00 0.77 C ATOM 0 HA PRO B 9 7.510 -13.832 1.507 1.00 0.56 H new ATOM 0 HB2 PRO B 9 5.837 -12.220 -0.063 1.00 0.61 H new ATOM 0 HB3 PRO B 9 5.606 -13.952 0.068 1.00 0.61 H new ATOM 0 HG2 PRO B 9 4.182 -11.736 1.510 1.00 0.75 H new ATOM 0 HG3 PRO B 9 3.530 -13.223 0.851 1.00 0.75 H new ATOM 0 HD2 PRO B 9 4.002 -12.946 3.507 1.00 0.77 H new ATOM 0 HD3 PRO B 9 4.188 -14.495 2.709 1.00 0.77 H new ATOM 1767 N THR B 10 8.481 -11.593 0.961 1.00 0.43 N ATOM 1768 CA THR B 10 9.285 -10.381 0.943 1.00 0.37 C ATOM 1769 C THR B 10 8.581 -9.250 0.192 1.00 0.31 C ATOM 1770 O THR B 10 9.034 -8.814 -0.870 1.00 0.39 O ATOM 1771 CB THR B 10 10.658 -10.658 0.306 1.00 0.46 C ATOM 1772 OG1 THR B 10 10.530 -11.649 -0.725 1.00 0.88 O ATOM 1773 CG2 THR B 10 11.649 -11.146 1.350 1.00 0.62 C ATOM 0 H THR B 10 8.757 -12.289 0.268 1.00 0.43 H new ATOM 0 HA THR B 10 9.425 -10.064 1.976 1.00 0.37 H new ATOM 0 HB THR B 10 11.027 -9.726 -0.123 1.00 0.46 H new ATOM 0 HG1 THR B 10 11.408 -11.818 -1.127 1.00 0.88 H new ATOM 0 HG21 THR B 10 12.612 -11.335 0.877 1.00 0.62 H new ATOM 0 HG22 THR B 10 11.767 -10.386 2.123 1.00 0.62 H new ATOM 0 HG23 THR B 10 11.279 -12.067 1.801 1.00 0.62 H new ATOM 1781 N GLU B 11 7.475 -8.786 0.757 1.00 0.30 N ATOM 1782 CA GLU B 11 6.681 -7.717 0.167 1.00 0.31 C ATOM 1783 C GLU B 11 5.829 -7.056 1.246 1.00 0.27 C ATOM 1784 O GLU B 11 5.017 -7.719 1.887 1.00 0.31 O ATOM 1785 CB GLU B 11 5.800 -8.284 -0.957 1.00 0.45 C ATOM 1786 CG GLU B 11 4.651 -7.379 -1.384 1.00 1.13 C ATOM 1787 CD GLU B 11 3.298 -7.933 -0.979 1.00 1.36 C ATOM 1788 OE1 GLU B 11 3.132 -9.170 -0.983 1.00 1.65 O ATOM 1789 OE2 GLU B 11 2.395 -7.139 -0.649 1.00 1.83 O ATOM 0 H GLU B 11 7.103 -9.140 1.638 1.00 0.30 H new ATOM 0 HA GLU B 11 7.341 -6.963 -0.262 1.00 0.31 H new ATOM 0 HB2 GLU B 11 6.428 -8.486 -1.825 1.00 0.45 H new ATOM 0 HB3 GLU B 11 5.390 -9.240 -0.631 1.00 0.45 H new ATOM 0 HG2 GLU B 11 4.785 -6.393 -0.940 1.00 1.13 H new ATOM 0 HG3 GLU B 11 4.678 -7.248 -2.466 1.00 1.13 H new ATOM 1796 N PHE B 12 6.030 -5.764 1.468 1.00 0.30 N ATOM 1797 CA PHE B 12 5.264 -5.046 2.483 1.00 0.30 C ATOM 1798 C PHE B 12 5.185 -3.556 2.166 1.00 0.27 C ATOM 1799 O PHE B 12 6.017 -3.021 1.432 1.00 0.33 O ATOM 1800 CB PHE B 12 5.869 -5.268 3.878 1.00 0.35 C ATOM 1801 CG PHE B 12 7.186 -4.574 4.113 1.00 0.34 C ATOM 1802 CD1 PHE B 12 8.361 -5.086 3.590 1.00 0.39 C ATOM 1803 CD2 PHE B 12 7.244 -3.412 4.866 1.00 0.42 C ATOM 1804 CE1 PHE B 12 9.568 -4.452 3.811 1.00 0.42 C ATOM 1805 CE2 PHE B 12 8.447 -2.774 5.090 1.00 0.45 C ATOM 1806 CZ PHE B 12 9.611 -3.294 4.562 1.00 0.40 C ATOM 0 H PHE B 12 6.710 -5.194 0.965 1.00 0.30 H new ATOM 0 HA PHE B 12 4.250 -5.445 2.477 1.00 0.30 H new ATOM 0 HB2 PHE B 12 5.155 -4.925 4.627 1.00 0.35 H new ATOM 0 HB3 PHE B 12 6.005 -6.338 4.033 1.00 0.35 H new ATOM 0 HD1 PHE B 12 8.334 -5.992 3.002 1.00 0.39 H new ATOM 0 HD2 PHE B 12 6.336 -3.001 5.283 1.00 0.42 H new ATOM 0 HE1 PHE B 12 10.477 -4.862 3.397 1.00 0.42 H new ATOM 0 HE2 PHE B 12 8.477 -1.869 5.678 1.00 0.45 H new ATOM 0 HZ PHE B 12 10.554 -2.796 4.736 1.00 0.40 H new ATOM 1816 N ILE B 13 4.182 -2.893 2.730 1.00 0.27 N ATOM 1817 CA ILE B 13 3.986 -1.468 2.511 1.00 0.27 C ATOM 1818 C ILE B 13 4.803 -0.651 3.505 1.00 0.29 C ATOM 1819 O ILE B 13 4.680 -0.812 4.720 1.00 0.35 O ATOM 1820 CB ILE B 13 2.486 -1.085 2.605 1.00 0.36 C ATOM 1821 CG1 ILE B 13 1.781 -1.376 1.277 1.00 0.98 C ATOM 1822 CG2 ILE B 13 2.303 0.380 2.992 1.00 0.85 C ATOM 1823 CD1 ILE B 13 2.263 -0.518 0.124 1.00 1.40 C ATOM 0 H ILE B 13 3.490 -3.323 3.344 1.00 0.27 H new ATOM 0 HA ILE B 13 4.332 -1.239 1.503 1.00 0.27 H new ATOM 0 HB ILE B 13 2.036 -1.693 3.389 1.00 0.36 H new ATOM 0 HG12 ILE B 13 1.927 -2.426 1.022 1.00 0.98 H new ATOM 0 HG13 ILE B 13 0.709 -1.226 1.406 1.00 0.98 H new ATOM 0 HG21 ILE B 13 1.239 0.611 3.048 1.00 0.85 H new ATOM 0 HG22 ILE B 13 2.765 0.560 3.963 1.00 0.85 H new ATOM 0 HG23 ILE B 13 2.774 1.016 2.242 1.00 0.85 H new ATOM 0 HD11 ILE B 13 1.716 -0.784 -0.781 1.00 1.40 H new ATOM 0 HD12 ILE B 13 2.091 0.533 0.356 1.00 1.40 H new ATOM 0 HD13 ILE B 13 3.328 -0.686 -0.034 1.00 1.40 H new ATOM 1835 N SER B 14 5.662 0.201 2.977 1.00 0.34 N ATOM 1836 CA SER B 14 6.490 1.060 3.797 1.00 0.42 C ATOM 1837 C SER B 14 5.953 2.488 3.747 1.00 0.35 C ATOM 1838 O SER B 14 6.168 3.210 2.769 1.00 0.40 O ATOM 1839 CB SER B 14 7.935 1.009 3.297 1.00 0.54 C ATOM 1840 OG SER B 14 8.305 -0.317 2.956 1.00 1.47 O ATOM 0 H SER B 14 5.804 0.316 1.973 1.00 0.34 H new ATOM 0 HA SER B 14 6.467 0.715 4.831 1.00 0.42 H new ATOM 0 HB2 SER B 14 8.047 1.657 2.428 1.00 0.54 H new ATOM 0 HB3 SER B 14 8.605 1.391 4.068 1.00 0.54 H new ATOM 0 HG SER B 14 8.278 -0.881 3.757 1.00 1.47 H new ATOM 1846 N ARG B 15 5.232 2.882 4.791 1.00 0.31 N ATOM 1847 CA ARG B 15 4.654 4.217 4.861 1.00 0.31 C ATOM 1848 C ARG B 15 5.696 5.225 5.317 1.00 0.27 C ATOM 1849 O ARG B 15 6.204 5.149 6.436 1.00 0.29 O ATOM 1850 CB ARG B 15 3.458 4.238 5.817 1.00 0.42 C ATOM 1851 CG ARG B 15 2.352 3.271 5.433 1.00 0.54 C ATOM 1852 CD ARG B 15 1.311 3.151 6.532 1.00 0.90 C ATOM 1853 NE ARG B 15 0.231 4.124 6.387 1.00 1.40 N ATOM 1854 CZ ARG B 15 -0.645 4.413 7.346 1.00 1.85 C ATOM 1855 NH1 ARG B 15 -0.568 3.820 8.530 1.00 2.03 N ATOM 1856 NH2 ARG B 15 -1.605 5.293 7.116 1.00 2.69 N ATOM 0 H ARG B 15 5.034 2.294 5.601 1.00 0.31 H new ATOM 0 HA ARG B 15 4.311 4.490 3.863 1.00 0.31 H new ATOM 0 HB2 ARG B 15 3.804 3.999 6.823 1.00 0.42 H new ATOM 0 HB3 ARG B 15 3.050 5.248 5.852 1.00 0.42 H new ATOM 0 HG2 ARG B 15 1.874 3.609 4.513 1.00 0.54 H new ATOM 0 HG3 ARG B 15 2.780 2.290 5.227 1.00 0.54 H new ATOM 0 HD2 ARG B 15 0.893 2.145 6.524 1.00 0.90 H new ATOM 0 HD3 ARG B 15 1.792 3.288 7.500 1.00 0.90 H new ATOM 0 HE ARG B 15 0.143 4.612 5.496 1.00 1.40 H new ATOM 0 HH11 ARG B 15 0.167 3.136 8.711 1.00 2.03 H new ATOM 0 HH12 ARG B 15 -1.244 4.048 9.259 1.00 2.03 H new ATOM 0 HH21 ARG B 15 -1.672 5.748 6.206 1.00 2.69 H new ATOM 0 HH22 ARG B 15 -2.278 5.517 7.849 1.00 2.69 H new ATOM 1870 N HIS B 16 6.015 6.161 4.441 1.00 0.28 N ATOM 1871 CA HIS B 16 6.999 7.187 4.742 1.00 0.28 C ATOM 1872 C HIS B 16 6.629 8.483 4.042 1.00 0.32 C ATOM 1873 O HIS B 16 5.956 8.465 3.011 1.00 0.40 O ATOM 1874 CB HIS B 16 8.401 6.739 4.305 1.00 0.32 C ATOM 1875 CG HIS B 16 8.551 6.555 2.824 1.00 0.36 C ATOM 1876 ND1 HIS B 16 8.759 7.601 1.951 1.00 0.54 N ATOM 1877 CD2 HIS B 16 8.515 5.437 2.062 1.00 0.75 C ATOM 1878 CE1 HIS B 16 8.844 7.136 0.721 1.00 0.46 C ATOM 1879 NE2 HIS B 16 8.699 5.826 0.759 1.00 0.61 N ATOM 0 H HIS B 16 5.605 6.232 3.510 1.00 0.28 H new ATOM 0 HA HIS B 16 7.008 7.350 5.820 1.00 0.28 H new ATOM 0 HB2 HIS B 16 9.129 7.476 4.644 1.00 0.32 H new ATOM 0 HB3 HIS B 16 8.643 5.800 4.803 1.00 0.32 H new ATOM 0 HD1 HIS B 16 8.835 8.583 2.216 1.00 0.54 H new ATOM 0 HD2 HIS B 16 8.369 4.427 2.414 1.00 0.75 H new ATOM 0 HE1 HIS B 16 9.005 7.728 -0.168 1.00 0.46 H new ATOM 1888 N ASN B 17 7.086 9.599 4.586 1.00 0.31 N ATOM 1889 CA ASN B 17 6.801 10.902 3.998 1.00 0.39 C ATOM 1890 C ASN B 17 7.685 11.131 2.772 1.00 0.35 C ATOM 1891 O ASN B 17 8.513 10.279 2.429 1.00 0.32 O ATOM 1892 CB ASN B 17 6.991 12.024 5.033 1.00 0.49 C ATOM 1893 CG ASN B 17 8.445 12.324 5.357 1.00 0.95 C ATOM 1894 OD1 ASN B 17 9.335 11.499 5.148 1.00 2.04 O ATOM 1895 ND2 ASN B 17 8.693 13.513 5.876 1.00 0.59 N ATOM 0 H ASN B 17 7.655 9.631 5.432 1.00 0.31 H new ATOM 0 HA ASN B 17 5.759 10.919 3.679 1.00 0.39 H new ATOM 0 HB2 ASN B 17 6.517 12.932 4.661 1.00 0.49 H new ATOM 0 HB3 ASN B 17 6.474 11.748 5.952 1.00 0.49 H new ATOM 0 HD21 ASN B 17 9.649 13.774 6.118 1.00 0.59 H new ATOM 0 HD22 ASN B 17 7.929 14.170 6.034 1.00 0.59 H new ATOM 1902 N ILE B 18 7.516 12.275 2.119 1.00 0.40 N ATOM 1903 CA ILE B 18 8.290 12.602 0.921 1.00 0.45 C ATOM 1904 C ILE B 18 9.795 12.673 1.196 1.00 0.44 C ATOM 1905 O ILE B 18 10.603 12.428 0.302 1.00 0.52 O ATOM 1906 CB ILE B 18 7.831 13.933 0.294 1.00 0.53 C ATOM 1907 CG1 ILE B 18 7.752 15.034 1.356 1.00 0.59 C ATOM 1908 CG2 ILE B 18 6.487 13.749 -0.398 1.00 0.57 C ATOM 1909 CD1 ILE B 18 7.382 16.393 0.798 1.00 0.70 C ATOM 0 H ILE B 18 6.849 12.995 2.398 1.00 0.40 H new ATOM 0 HA ILE B 18 8.105 11.788 0.220 1.00 0.45 H new ATOM 0 HB ILE B 18 8.565 14.240 -0.451 1.00 0.53 H new ATOM 0 HG12 ILE B 18 7.018 14.748 2.109 1.00 0.59 H new ATOM 0 HG13 ILE B 18 8.715 15.109 1.862 1.00 0.59 H new ATOM 0 HG21 ILE B 18 6.172 14.695 -0.838 1.00 0.57 H new ATOM 0 HG22 ILE B 18 6.581 12.998 -1.182 1.00 0.57 H new ATOM 0 HG23 ILE B 18 5.745 13.422 0.330 1.00 0.57 H new ATOM 0 HD11 ILE B 18 7.345 17.121 1.608 1.00 0.70 H new ATOM 0 HD12 ILE B 18 8.129 16.701 0.066 1.00 0.70 H new ATOM 0 HD13 ILE B 18 6.405 16.335 0.318 1.00 0.70 H new ATOM 1921 N GLU B 19 10.170 12.998 2.429 1.00 0.41 N ATOM 1922 CA GLU B 19 11.582 13.102 2.795 1.00 0.45 C ATOM 1923 C GLU B 19 12.236 11.728 2.878 1.00 0.41 C ATOM 1924 O GLU B 19 13.425 11.577 2.593 1.00 0.51 O ATOM 1925 CB GLU B 19 11.736 13.824 4.131 1.00 0.50 C ATOM 1926 CG GLU B 19 11.425 15.307 4.063 1.00 0.65 C ATOM 1927 CD GLU B 19 11.305 15.931 5.433 1.00 1.21 C ATOM 1928 OE1 GLU B 19 12.203 15.708 6.274 1.00 1.28 O ATOM 1929 OE2 GLU B 19 10.305 16.629 5.683 1.00 1.92 O ATOM 0 H GLU B 19 9.520 13.194 3.191 1.00 0.41 H new ATOM 0 HA GLU B 19 12.082 13.676 2.015 1.00 0.45 H new ATOM 0 HB2 GLU B 19 11.078 13.357 4.864 1.00 0.50 H new ATOM 0 HB3 GLU B 19 12.757 13.692 4.489 1.00 0.50 H new ATOM 0 HG2 GLU B 19 12.210 15.815 3.502 1.00 0.65 H new ATOM 0 HG3 GLU B 19 10.494 15.456 3.516 1.00 0.65 H new ATOM 1936 N GLY B 20 11.459 10.731 3.273 1.00 0.33 N ATOM 1937 CA GLY B 20 11.986 9.387 3.381 1.00 0.32 C ATOM 1938 C GLY B 20 11.854 8.827 4.781 1.00 0.29 C ATOM 1939 O GLY B 20 12.213 7.676 5.026 1.00 0.34 O ATOM 0 H GLY B 20 10.474 10.828 3.520 1.00 0.33 H new ATOM 0 HA2 GLY B 20 11.461 8.736 2.681 1.00 0.32 H new ATOM 0 HA3 GLY B 20 13.036 9.387 3.090 1.00 0.32 H new ATOM 1943 N ILE B 21 11.337 9.645 5.691 1.00 0.27 N ATOM 1944 CA ILE B 21 11.147 9.238 7.078 1.00 0.28 C ATOM 1945 C ILE B 21 9.939 8.318 7.191 1.00 0.27 C ATOM 1946 O ILE B 21 8.829 8.689 6.801 1.00 0.31 O ATOM 1947 CB ILE B 21 10.941 10.462 8.002 1.00 0.32 C ATOM 1948 CG1 ILE B 21 12.160 11.392 7.948 1.00 0.37 C ATOM 1949 CG2 ILE B 21 10.668 10.020 9.437 1.00 0.41 C ATOM 1950 CD1 ILE B 21 13.374 10.867 8.688 1.00 0.47 C ATOM 0 H ILE B 21 11.040 10.600 5.491 1.00 0.27 H new ATOM 0 HA ILE B 21 12.047 8.711 7.395 1.00 0.28 H new ATOM 0 HB ILE B 21 10.071 11.013 7.644 1.00 0.32 H new ATOM 0 HG12 ILE B 21 12.429 11.561 6.905 1.00 0.37 H new ATOM 0 HG13 ILE B 21 11.884 12.360 8.366 1.00 0.37 H new ATOM 0 HG21 ILE B 21 10.527 10.898 10.067 1.00 0.41 H new ATOM 0 HG22 ILE B 21 9.768 9.405 9.463 1.00 0.41 H new ATOM 0 HG23 ILE B 21 11.514 9.440 9.806 1.00 0.41 H new ATOM 0 HD11 ILE B 21 14.191 11.583 8.601 1.00 0.47 H new ATOM 0 HD12 ILE B 21 13.126 10.726 9.740 1.00 0.47 H new ATOM 0 HD13 ILE B 21 13.679 9.914 8.256 1.00 0.47 H new ATOM 1962 N PHE B 22 10.161 7.115 7.697 1.00 0.25 N ATOM 1963 CA PHE B 22 9.084 6.149 7.859 1.00 0.27 C ATOM 1964 C PHE B 22 8.191 6.518 9.036 1.00 0.28 C ATOM 1965 O PHE B 22 8.676 6.780 10.139 1.00 0.35 O ATOM 1966 CB PHE B 22 9.651 4.745 8.062 1.00 0.31 C ATOM 1967 CG PHE B 22 10.349 4.199 6.852 1.00 0.33 C ATOM 1968 CD1 PHE B 22 9.643 3.497 5.890 1.00 0.36 C ATOM 1969 CD2 PHE B 22 11.709 4.388 6.676 1.00 0.38 C ATOM 1970 CE1 PHE B 22 10.281 2.992 4.775 1.00 0.44 C ATOM 1971 CE2 PHE B 22 12.352 3.886 5.563 1.00 0.45 C ATOM 1972 CZ PHE B 22 11.637 3.187 4.611 1.00 0.46 C ATOM 0 H PHE B 22 11.076 6.784 8.003 1.00 0.25 H new ATOM 0 HA PHE B 22 8.484 6.164 6.949 1.00 0.27 H new ATOM 0 HB2 PHE B 22 10.350 4.762 8.898 1.00 0.31 H new ATOM 0 HB3 PHE B 22 8.840 4.071 8.338 1.00 0.31 H new ATOM 0 HD1 PHE B 22 8.581 3.343 6.013 1.00 0.36 H new ATOM 0 HD2 PHE B 22 12.273 4.934 7.418 1.00 0.38 H new ATOM 0 HE1 PHE B 22 9.720 2.445 4.032 1.00 0.44 H new ATOM 0 HE2 PHE B 22 13.414 4.040 5.437 1.00 0.45 H new ATOM 0 HZ PHE B 22 12.138 2.793 3.739 1.00 0.46 H new ATOM 1982 N THR B 23 6.889 6.553 8.787 1.00 0.27 N ATOM 1983 CA THR B 23 5.917 6.876 9.819 1.00 0.30 C ATOM 1984 C THR B 23 5.230 5.608 10.315 1.00 0.27 C ATOM 1985 O THR B 23 4.686 5.566 11.421 1.00 0.33 O ATOM 1986 CB THR B 23 4.860 7.866 9.297 1.00 0.42 C ATOM 1987 OG1 THR B 23 4.558 7.585 7.922 1.00 1.35 O ATOM 1988 CG2 THR B 23 5.356 9.297 9.428 1.00 1.14 C ATOM 0 H THR B 23 6.481 6.360 7.872 1.00 0.27 H new ATOM 0 HA THR B 23 6.452 7.345 10.645 1.00 0.30 H new ATOM 0 HB THR B 23 3.957 7.751 9.896 1.00 0.42 H new ATOM 0 HG1 THR B 23 3.884 8.219 7.599 1.00 1.35 H new ATOM 0 HG21 THR B 23 4.595 9.982 9.054 1.00 1.14 H new ATOM 0 HG22 THR B 23 5.559 9.517 10.476 1.00 1.14 H new ATOM 0 HG23 THR B 23 6.271 9.420 8.848 1.00 1.14 H new ATOM 1996 N PHE B 24 5.265 4.572 9.483 1.00 0.25 N ATOM 1997 CA PHE B 24 4.666 3.290 9.819 1.00 0.28 C ATOM 1998 C PHE B 24 5.242 2.193 8.932 1.00 0.26 C ATOM 1999 O PHE B 24 5.320 2.343 7.712 1.00 0.27 O ATOM 2000 CB PHE B 24 3.142 3.343 9.662 1.00 0.36 C ATOM 2001 CG PHE B 24 2.444 2.088 10.118 1.00 0.46 C ATOM 2002 CD1 PHE B 24 2.178 1.876 11.461 1.00 0.59 C ATOM 2003 CD2 PHE B 24 2.058 1.120 9.203 1.00 0.51 C ATOM 2004 CE1 PHE B 24 1.538 0.723 11.882 1.00 0.71 C ATOM 2005 CE2 PHE B 24 1.419 -0.033 9.618 1.00 0.61 C ATOM 2006 CZ PHE B 24 1.159 -0.231 10.958 1.00 0.70 C ATOM 0 H PHE B 24 5.707 4.599 8.564 1.00 0.25 H new ATOM 0 HA PHE B 24 4.898 3.067 10.860 1.00 0.28 H new ATOM 0 HB2 PHE B 24 2.756 4.190 10.229 1.00 0.36 H new ATOM 0 HB3 PHE B 24 2.899 3.524 8.615 1.00 0.36 H new ATOM 0 HD1 PHE B 24 2.473 2.619 12.188 1.00 0.59 H new ATOM 0 HD2 PHE B 24 2.259 1.269 8.152 1.00 0.51 H new ATOM 0 HE1 PHE B 24 1.335 0.570 12.932 1.00 0.71 H new ATOM 0 HE2 PHE B 24 1.124 -0.778 8.894 1.00 0.61 H new ATOM 0 HZ PHE B 24 0.660 -1.131 11.284 1.00 0.70 H new ATOM 2016 N VAL B 25 5.651 1.100 9.551 1.00 0.26 N ATOM 2017 CA VAL B 25 6.215 -0.027 8.829 1.00 0.27 C ATOM 2018 C VAL B 25 5.244 -1.198 8.887 1.00 0.26 C ATOM 2019 O VAL B 25 4.583 -1.404 9.904 1.00 0.25 O ATOM 2020 CB VAL B 25 7.579 -0.447 9.424 1.00 0.34 C ATOM 2021 CG1 VAL B 25 8.239 -1.514 8.566 1.00 0.74 C ATOM 2022 CG2 VAL B 25 8.493 0.759 9.564 1.00 0.78 C ATOM 0 H VAL B 25 5.602 0.968 10.561 1.00 0.26 H new ATOM 0 HA VAL B 25 6.377 0.271 7.793 1.00 0.27 H new ATOM 0 HB VAL B 25 7.402 -0.867 10.414 1.00 0.34 H new ATOM 0 HG11 VAL B 25 9.197 -1.793 9.005 1.00 0.74 H new ATOM 0 HG12 VAL B 25 7.594 -2.391 8.516 1.00 0.74 H new ATOM 0 HG13 VAL B 25 8.400 -1.124 7.561 1.00 0.74 H new ATOM 0 HG21 VAL B 25 9.448 0.445 9.984 1.00 0.78 H new ATOM 0 HG22 VAL B 25 8.657 1.207 8.584 1.00 0.78 H new ATOM 0 HG23 VAL B 25 8.030 1.492 10.224 1.00 0.78 H new ATOM 2032 N ASP B 26 5.139 -1.946 7.795 1.00 0.27 N ATOM 2033 CA ASP B 26 4.234 -3.090 7.744 1.00 0.29 C ATOM 2034 C ASP B 26 4.722 -4.218 8.651 1.00 0.24 C ATOM 2035 O ASP B 26 5.792 -4.137 9.255 1.00 0.22 O ATOM 2036 CB ASP B 26 4.084 -3.598 6.309 1.00 0.39 C ATOM 2037 CG ASP B 26 2.745 -4.271 6.042 1.00 0.48 C ATOM 2038 OD1 ASP B 26 2.092 -4.745 7.003 1.00 0.78 O ATOM 2039 OD2 ASP B 26 2.351 -4.347 4.859 1.00 0.72 O ATOM 0 H ASP B 26 5.666 -1.783 6.937 1.00 0.27 H new ATOM 0 HA ASP B 26 3.260 -2.758 8.102 1.00 0.29 H new ATOM 0 HB2 ASP B 26 4.205 -2.761 5.621 1.00 0.39 H new ATOM 0 HB3 ASP B 26 4.886 -4.305 6.096 1.00 0.39 H new ATOM 2044 N HIS B 27 3.940 -5.278 8.705 1.00 0.26 N ATOM 2045 CA HIS B 27 4.221 -6.430 9.552 1.00 0.26 C ATOM 2046 C HIS B 27 5.270 -7.357 8.937 1.00 0.23 C ATOM 2047 O HIS B 27 5.779 -8.257 9.606 1.00 0.26 O ATOM 2048 CB HIS B 27 2.924 -7.208 9.803 1.00 0.34 C ATOM 2049 CG HIS B 27 1.812 -6.376 10.381 1.00 0.50 C ATOM 2050 ND1 HIS B 27 1.108 -5.437 9.649 1.00 0.70 N ATOM 2051 CD2 HIS B 27 1.280 -6.350 11.628 1.00 0.66 C ATOM 2052 CE1 HIS B 27 0.195 -4.874 10.422 1.00 0.86 C ATOM 2053 NE2 HIS B 27 0.275 -5.411 11.627 1.00 0.83 N ATOM 0 H HIS B 27 3.083 -5.369 8.159 1.00 0.26 H new ATOM 0 HA HIS B 27 4.626 -6.059 10.493 1.00 0.26 H new ATOM 0 HB2 HIS B 27 2.586 -7.644 8.863 1.00 0.34 H new ATOM 0 HB3 HIS B 27 3.134 -8.035 10.481 1.00 0.34 H new ATOM 0 HD1 HIS B 27 1.268 -5.214 8.667 1.00 0.70 H new ATOM 0 HD2 HIS B 27 1.589 -6.955 12.468 1.00 0.66 H new ATOM 0 HE1 HIS B 27 -0.500 -4.104 10.119 1.00 0.86 H new ATOM 0 HE2 HIS B 27 -0.312 -5.169 12.425 1.00 0.83 H new ATOM 2062 N ARG B 28 5.599 -7.139 7.670 1.00 0.24 N ATOM 2063 CA ARG B 28 6.582 -7.978 6.986 1.00 0.27 C ATOM 2064 C ARG B 28 7.940 -7.285 6.906 1.00 0.24 C ATOM 2065 O ARG B 28 8.642 -7.381 5.898 1.00 0.28 O ATOM 2066 CB ARG B 28 6.102 -8.330 5.578 1.00 0.35 C ATOM 2067 CG ARG B 28 4.774 -9.070 5.538 1.00 0.48 C ATOM 2068 CD ARG B 28 4.533 -9.665 4.164 1.00 0.56 C ATOM 2069 NE ARG B 28 3.166 -10.156 3.988 1.00 0.99 N ATOM 2070 CZ ARG B 28 2.545 -10.191 2.809 1.00 1.26 C ATOM 2071 NH1 ARG B 28 3.134 -9.679 1.737 1.00 1.61 N ATOM 2072 NH2 ARG B 28 1.329 -10.709 2.704 1.00 1.87 N ATOM 0 H ARG B 28 5.204 -6.394 7.096 1.00 0.24 H new ATOM 0 HA ARG B 28 6.693 -8.894 7.567 1.00 0.27 H new ATOM 0 HB2 ARG B 28 6.011 -7.412 4.997 1.00 0.35 H new ATOM 0 HB3 ARG B 28 6.861 -8.942 5.090 1.00 0.35 H new ATOM 0 HG2 ARG B 28 4.770 -9.861 6.288 1.00 0.48 H new ATOM 0 HG3 ARG B 28 3.963 -8.387 5.791 1.00 0.48 H new ATOM 0 HD2 ARG B 28 4.743 -8.911 3.405 1.00 0.56 H new ATOM 0 HD3 ARG B 28 5.232 -10.485 4.001 1.00 0.56 H new ATOM 0 HE ARG B 28 2.662 -10.489 4.810 1.00 0.99 H new ATOM 0 HH11 ARG B 28 4.060 -9.259 1.816 1.00 1.61 H new ATOM 0 HH12 ARG B 28 2.661 -9.705 0.834 1.00 1.61 H new ATOM 0 HH21 ARG B 28 0.862 -11.085 3.529 1.00 1.87 H new ATOM 0 HH22 ARG B 28 0.861 -10.732 1.798 1.00 1.87 H new ATOM 2086 N CYS B 29 8.315 -6.604 7.978 1.00 0.21 N ATOM 2087 CA CYS B 29 9.583 -5.887 8.031 1.00 0.22 C ATOM 2088 C CYS B 29 10.764 -6.846 8.194 1.00 0.22 C ATOM 2089 O CYS B 29 11.684 -6.865 7.370 1.00 0.25 O ATOM 2090 CB CYS B 29 9.556 -4.891 9.189 1.00 0.27 C ATOM 2091 SG CYS B 29 8.283 -5.254 10.423 1.00 1.34 S ATOM 0 H CYS B 29 7.757 -6.532 8.828 1.00 0.21 H new ATOM 0 HA CYS B 29 9.715 -5.356 7.088 1.00 0.22 H new ATOM 0 HB2 CYS B 29 10.531 -4.885 9.676 1.00 0.27 H new ATOM 0 HB3 CYS B 29 9.391 -3.889 8.792 1.00 0.27 H new ATOM 0 HG CYS B 29 7.188 -4.623 10.116 1.00 1.34 H new ATOM 2097 N VAL B 30 10.714 -7.662 9.240 1.00 0.24 N ATOM 2098 CA VAL B 30 11.783 -8.611 9.538 1.00 0.31 C ATOM 2099 C VAL B 30 11.902 -9.683 8.456 1.00 0.33 C ATOM 2100 O VAL B 30 13.000 -10.150 8.145 1.00 0.38 O ATOM 2101 CB VAL B 30 11.560 -9.293 10.905 1.00 0.39 C ATOM 2102 CG1 VAL B 30 12.822 -10.006 11.367 1.00 1.01 C ATOM 2103 CG2 VAL B 30 11.102 -8.281 11.945 1.00 0.92 C ATOM 0 H VAL B 30 9.938 -7.686 9.902 1.00 0.24 H new ATOM 0 HA VAL B 30 12.710 -8.038 9.569 1.00 0.31 H new ATOM 0 HB VAL B 30 10.774 -10.039 10.786 1.00 0.39 H new ATOM 0 HG11 VAL B 30 12.640 -10.479 12.332 1.00 1.01 H new ATOM 0 HG12 VAL B 30 13.098 -10.767 10.637 1.00 1.01 H new ATOM 0 HG13 VAL B 30 13.633 -9.284 11.464 1.00 1.01 H new ATOM 0 HG21 VAL B 30 10.951 -8.784 12.900 1.00 0.92 H new ATOM 0 HG22 VAL B 30 11.861 -7.507 12.058 1.00 0.92 H new ATOM 0 HG23 VAL B 30 10.165 -7.826 11.622 1.00 0.92 H new ATOM 2113 N ALA B 31 10.774 -10.062 7.878 1.00 0.34 N ATOM 2114 CA ALA B 31 10.753 -11.081 6.839 1.00 0.40 C ATOM 2115 C ALA B 31 11.389 -10.587 5.537 1.00 0.39 C ATOM 2116 O ALA B 31 11.880 -11.383 4.734 1.00 0.45 O ATOM 2117 CB ALA B 31 9.324 -11.535 6.587 1.00 0.46 C ATOM 0 H ALA B 31 9.858 -9.679 8.111 1.00 0.34 H new ATOM 0 HA ALA B 31 11.347 -11.924 7.191 1.00 0.40 H new ATOM 0 HB1 ALA B 31 9.316 -12.298 5.808 1.00 0.46 H new ATOM 0 HB2 ALA B 31 8.907 -11.949 7.505 1.00 0.46 H new ATOM 0 HB3 ALA B 31 8.723 -10.684 6.267 1.00 0.46 H new ATOM 2123 N THR B 32 11.404 -9.275 5.337 1.00 0.36 N ATOM 2124 CA THR B 32 11.961 -8.708 4.115 1.00 0.38 C ATOM 2125 C THR B 32 13.357 -8.110 4.316 1.00 0.42 C ATOM 2126 O THR B 32 14.328 -8.584 3.723 1.00 0.48 O ATOM 2127 CB THR B 32 11.025 -7.635 3.526 1.00 0.37 C ATOM 2128 OG1 THR B 32 9.678 -8.128 3.504 1.00 0.36 O ATOM 2129 CG2 THR B 32 11.453 -7.253 2.115 1.00 0.44 C ATOM 0 H THR B 32 11.040 -8.589 5.998 1.00 0.36 H new ATOM 0 HA THR B 32 12.054 -9.539 3.416 1.00 0.38 H new ATOM 0 HB THR B 32 11.082 -6.747 4.155 1.00 0.37 H new ATOM 0 HG1 THR B 32 9.236 -7.911 4.352 1.00 0.36 H new ATOM 0 HG21 THR B 32 10.776 -6.494 1.722 1.00 0.44 H new ATOM 0 HG22 THR B 32 12.468 -6.857 2.137 1.00 0.44 H new ATOM 0 HG23 THR B 32 11.421 -8.134 1.474 1.00 0.44 H new ATOM 2137 N VAL B 33 13.466 -7.088 5.157 1.00 0.42 N ATOM 2138 CA VAL B 33 14.749 -6.425 5.375 1.00 0.52 C ATOM 2139 C VAL B 33 15.445 -6.895 6.651 1.00 0.57 C ATOM 2140 O VAL B 33 16.656 -6.733 6.798 1.00 0.99 O ATOM 2141 CB VAL B 33 14.585 -4.890 5.415 1.00 0.56 C ATOM 2142 CG1 VAL B 33 14.025 -4.381 4.098 1.00 0.67 C ATOM 2143 CG2 VAL B 33 13.694 -4.462 6.570 1.00 0.51 C ATOM 0 H VAL B 33 12.690 -6.702 5.695 1.00 0.42 H new ATOM 0 HA VAL B 33 15.378 -6.701 4.529 1.00 0.52 H new ATOM 0 HB VAL B 33 15.571 -4.452 5.570 1.00 0.56 H new ATOM 0 HG11 VAL B 33 13.916 -3.297 4.144 1.00 0.67 H new ATOM 0 HG12 VAL B 33 14.705 -4.643 3.288 1.00 0.67 H new ATOM 0 HG13 VAL B 33 13.052 -4.836 3.916 1.00 0.67 H new ATOM 0 HG21 VAL B 33 13.597 -3.376 6.572 1.00 0.51 H new ATOM 0 HG22 VAL B 33 12.709 -4.914 6.456 1.00 0.51 H new ATOM 0 HG23 VAL B 33 14.136 -4.789 7.511 1.00 0.51 H new ATOM 2153 N GLY B 34 14.686 -7.462 7.576 1.00 0.36 N ATOM 2154 CA GLY B 34 15.274 -7.940 8.814 1.00 0.38 C ATOM 2155 C GLY B 34 15.279 -6.882 9.899 1.00 0.33 C ATOM 2156 O GLY B 34 15.382 -7.197 11.086 1.00 0.38 O ATOM 0 H GLY B 34 13.679 -7.600 7.495 1.00 0.36 H new ATOM 0 HA2 GLY B 34 14.720 -8.812 9.163 1.00 0.38 H new ATOM 0 HA3 GLY B 34 16.296 -8.267 8.625 1.00 0.38 H new ATOM 2160 N TYR B 35 15.176 -5.626 9.487 1.00 0.32 N ATOM 2161 CA TYR B 35 15.156 -4.511 10.421 1.00 0.31 C ATOM 2162 C TYR B 35 13.829 -4.462 11.162 1.00 0.29 C ATOM 2163 O TYR B 35 12.798 -4.888 10.637 1.00 0.35 O ATOM 2164 CB TYR B 35 15.367 -3.187 9.684 1.00 0.33 C ATOM 2165 CG TYR B 35 16.801 -2.903 9.305 1.00 0.30 C ATOM 2166 CD1 TYR B 35 17.718 -2.470 10.254 1.00 0.39 C ATOM 2167 CD2 TYR B 35 17.236 -3.057 7.995 1.00 0.30 C ATOM 2168 CE1 TYR B 35 19.026 -2.198 9.908 1.00 0.39 C ATOM 2169 CE2 TYR B 35 18.544 -2.789 7.643 1.00 0.30 C ATOM 2170 CZ TYR B 35 19.435 -2.361 8.603 1.00 0.30 C ATOM 2171 OH TYR B 35 20.735 -2.087 8.255 1.00 0.34 O ATOM 0 H TYR B 35 15.105 -5.354 8.507 1.00 0.32 H new ATOM 0 HA TYR B 35 15.966 -4.658 11.136 1.00 0.31 H new ATOM 0 HB2 TYR B 35 14.759 -3.188 8.779 1.00 0.33 H new ATOM 0 HB3 TYR B 35 15.003 -2.374 10.312 1.00 0.33 H new ATOM 0 HD1 TYR B 35 17.402 -2.344 11.279 1.00 0.39 H new ATOM 0 HD2 TYR B 35 16.540 -3.392 7.240 1.00 0.30 H new ATOM 0 HE1 TYR B 35 19.726 -1.859 10.657 1.00 0.39 H new ATOM 0 HE2 TYR B 35 18.867 -2.914 6.620 1.00 0.30 H new ATOM 0 HH TYR B 35 21.320 -2.799 8.589 1.00 0.34 H new ATOM 2181 N GLN B 36 13.863 -3.952 12.380 1.00 0.30 N ATOM 2182 CA GLN B 36 12.657 -3.826 13.181 1.00 0.31 C ATOM 2183 C GLN B 36 11.905 -2.572 12.749 1.00 0.30 C ATOM 2184 O GLN B 36 12.519 -1.627 12.256 1.00 0.35 O ATOM 2185 CB GLN B 36 13.010 -3.745 14.668 1.00 0.40 C ATOM 2186 CG GLN B 36 13.819 -4.927 15.178 1.00 0.42 C ATOM 2187 CD GLN B 36 13.159 -6.263 14.895 1.00 0.81 C ATOM 2188 OE1 GLN B 36 12.283 -6.706 15.639 1.00 1.63 O ATOM 2189 NE2 GLN B 36 13.586 -6.920 13.827 1.00 1.29 N ATOM 0 H GLN B 36 14.712 -3.618 12.837 1.00 0.30 H new ATOM 0 HA GLN B 36 12.027 -4.702 13.029 1.00 0.31 H new ATOM 0 HB2 GLN B 36 13.572 -2.829 14.848 1.00 0.40 H new ATOM 0 HB3 GLN B 36 12.089 -3.672 15.246 1.00 0.40 H new ATOM 0 HG2 GLN B 36 14.806 -4.911 14.716 1.00 0.42 H new ATOM 0 HG3 GLN B 36 13.968 -4.822 16.253 1.00 0.42 H new ATOM 0 HE21 GLN B 36 14.314 -6.517 13.237 1.00 1.29 H new ATOM 0 HE22 GLN B 36 13.187 -7.829 13.594 1.00 1.29 H new ATOM 2198 N PRO B 37 10.574 -2.537 12.920 1.00 0.33 N ATOM 2199 CA PRO B 37 9.761 -1.377 12.532 1.00 0.35 C ATOM 2200 C PRO B 37 10.284 -0.073 13.132 1.00 0.31 C ATOM 2201 O PRO B 37 10.332 0.962 12.468 1.00 0.30 O ATOM 2202 CB PRO B 37 8.377 -1.703 13.099 1.00 0.43 C ATOM 2203 CG PRO B 37 8.345 -3.189 13.213 1.00 0.49 C ATOM 2204 CD PRO B 37 9.757 -3.621 13.497 1.00 0.40 C ATOM 0 HA PRO B 37 9.770 -1.220 11.453 1.00 0.35 H new ATOM 0 HB2 PRO B 37 8.227 -1.230 14.069 1.00 0.43 H new ATOM 0 HB3 PRO B 37 7.586 -1.341 12.442 1.00 0.43 H new ATOM 0 HG2 PRO B 37 7.674 -3.503 14.012 1.00 0.49 H new ATOM 0 HG3 PRO B 37 7.978 -3.642 12.292 1.00 0.49 H new ATOM 0 HD2 PRO B 37 9.935 -3.731 14.567 1.00 0.40 H new ATOM 0 HD3 PRO B 37 9.983 -4.582 13.035 1.00 0.40 H new ATOM 2212 N GLN B 38 10.713 -0.151 14.384 1.00 0.33 N ATOM 2213 CA GLN B 38 11.226 1.004 15.111 1.00 0.35 C ATOM 2214 C GLN B 38 12.569 1.481 14.554 1.00 0.34 C ATOM 2215 O GLN B 38 12.973 2.621 14.784 1.00 0.33 O ATOM 2216 CB GLN B 38 11.371 0.661 16.596 1.00 0.46 C ATOM 2217 CG GLN B 38 10.090 0.144 17.237 1.00 0.57 C ATOM 2218 CD GLN B 38 9.993 -1.372 17.240 1.00 1.14 C ATOM 2219 OE1 GLN B 38 10.543 -2.053 16.370 1.00 2.03 O ATOM 2220 NE2 GLN B 38 9.288 -1.913 18.218 1.00 1.34 N ATOM 0 H GLN B 38 10.716 -1.016 14.925 1.00 0.33 H new ATOM 0 HA GLN B 38 10.510 1.817 14.987 1.00 0.35 H new ATOM 0 HB2 GLN B 38 12.152 -0.090 16.711 1.00 0.46 H new ATOM 0 HB3 GLN B 38 11.702 1.550 17.134 1.00 0.46 H new ATOM 0 HG2 GLN B 38 10.032 0.508 18.263 1.00 0.57 H new ATOM 0 HG3 GLN B 38 9.233 0.556 16.704 1.00 0.57 H new ATOM 0 HE21 GLN B 38 8.848 -1.317 18.919 1.00 1.34 H new ATOM 0 HE22 GLN B 38 9.184 -2.926 18.272 1.00 1.34 H new ATOM 2229 N GLU B 39 13.253 0.620 13.813 1.00 0.39 N ATOM 2230 CA GLU B 39 14.548 0.974 13.245 1.00 0.44 C ATOM 2231 C GLU B 39 14.376 1.851 12.010 1.00 0.44 C ATOM 2232 O GLU B 39 15.270 2.617 11.654 1.00 0.53 O ATOM 2233 CB GLU B 39 15.344 -0.285 12.905 1.00 0.55 C ATOM 2234 CG GLU B 39 15.421 -1.265 14.064 1.00 0.59 C ATOM 2235 CD GLU B 39 16.617 -2.187 13.983 1.00 1.16 C ATOM 2236 OE1 GLU B 39 16.586 -3.153 13.194 1.00 1.69 O ATOM 2237 OE2 GLU B 39 17.597 -1.953 14.722 1.00 1.59 O ATOM 0 H GLU B 39 12.936 -0.324 13.592 1.00 0.39 H new ATOM 0 HA GLU B 39 15.104 1.543 13.990 1.00 0.44 H new ATOM 0 HB2 GLU B 39 14.886 -0.778 12.048 1.00 0.55 H new ATOM 0 HB3 GLU B 39 16.354 -0.002 12.607 1.00 0.55 H new ATOM 0 HG2 GLU B 39 15.462 -0.709 15.000 1.00 0.59 H new ATOM 0 HG3 GLU B 39 14.510 -1.863 14.088 1.00 0.59 H new ATOM 2244 N LEU B 40 13.218 1.736 11.370 1.00 0.41 N ATOM 2245 CA LEU B 40 12.918 2.529 10.183 1.00 0.44 C ATOM 2246 C LEU B 40 12.238 3.834 10.584 1.00 0.40 C ATOM 2247 O LEU B 40 12.372 4.854 9.907 1.00 0.45 O ATOM 2248 CB LEU B 40 12.019 1.750 9.213 1.00 0.50 C ATOM 2249 CG LEU B 40 12.727 0.709 8.334 1.00 0.53 C ATOM 2250 CD1 LEU B 40 14.022 1.267 7.758 1.00 1.10 C ATOM 2251 CD2 LEU B 40 12.997 -0.564 9.119 1.00 1.24 C ATOM 0 H LEU B 40 12.471 1.101 11.653 1.00 0.41 H new ATOM 0 HA LEU B 40 13.858 2.751 9.677 1.00 0.44 H new ATOM 0 HB2 LEU B 40 11.246 1.244 9.791 1.00 0.50 H new ATOM 0 HB3 LEU B 40 11.514 2.464 8.562 1.00 0.50 H new ATOM 0 HG LEU B 40 12.064 0.467 7.503 1.00 0.53 H new ATOM 0 HD11 LEU B 40 14.502 0.508 7.140 1.00 1.10 H new ATOM 0 HD12 LEU B 40 13.801 2.144 7.150 1.00 1.10 H new ATOM 0 HD13 LEU B 40 14.691 1.548 8.572 1.00 1.10 H new ATOM 0 HD21 LEU B 40 13.499 -1.288 8.477 1.00 1.24 H new ATOM 0 HD22 LEU B 40 13.632 -0.336 9.975 1.00 1.24 H new ATOM 0 HD23 LEU B 40 12.053 -0.983 9.469 1.00 1.24 H new ATOM 2263 N LEU B 41 11.514 3.794 11.697 1.00 0.34 N ATOM 2264 CA LEU B 41 10.808 4.968 12.193 1.00 0.34 C ATOM 2265 C LEU B 41 11.797 6.052 12.610 1.00 0.38 C ATOM 2266 O LEU B 41 12.674 5.819 13.446 1.00 0.43 O ATOM 2267 CB LEU B 41 9.907 4.600 13.376 1.00 0.29 C ATOM 2268 CG LEU B 41 8.847 3.534 13.088 1.00 0.28 C ATOM 2269 CD1 LEU B 41 8.026 3.250 14.335 1.00 0.30 C ATOM 2270 CD2 LEU B 41 7.944 3.965 11.942 1.00 0.30 C ATOM 0 H LEU B 41 11.401 2.960 12.273 1.00 0.34 H new ATOM 0 HA LEU B 41 10.184 5.352 11.386 1.00 0.34 H new ATOM 0 HB2 LEU B 41 10.536 4.251 14.195 1.00 0.29 H new ATOM 0 HB3 LEU B 41 9.405 5.503 13.723 1.00 0.29 H new ATOM 0 HG LEU B 41 9.357 2.617 12.793 1.00 0.28 H new ATOM 0 HD11 LEU B 41 7.277 2.490 14.112 1.00 0.30 H new ATOM 0 HD12 LEU B 41 8.682 2.892 15.129 1.00 0.30 H new ATOM 0 HD13 LEU B 41 7.529 4.164 14.660 1.00 0.30 H new ATOM 0 HD21 LEU B 41 7.199 3.192 11.755 1.00 0.30 H new ATOM 0 HD22 LEU B 41 7.443 4.897 12.204 1.00 0.30 H new ATOM 0 HD23 LEU B 41 8.543 4.116 11.044 1.00 0.30 H new ATOM 2282 N GLY B 42 11.662 7.226 12.006 1.00 0.43 N ATOM 2283 CA GLY B 42 12.543 8.334 12.323 1.00 0.51 C ATOM 2284 C GLY B 42 13.810 8.310 11.493 1.00 0.49 C ATOM 2285 O GLY B 42 14.700 9.142 11.670 1.00 0.53 O ATOM 0 H GLY B 42 10.955 7.431 11.300 1.00 0.43 H new ATOM 0 HA2 GLY B 42 12.018 9.274 12.155 1.00 0.51 H new ATOM 0 HA3 GLY B 42 12.803 8.299 13.381 1.00 0.51 H new ATOM 2289 N LYS B 43 13.892 7.350 10.585 1.00 0.46 N ATOM 2290 CA LYS B 43 15.050 7.206 9.719 1.00 0.47 C ATOM 2291 C LYS B 43 14.663 7.447 8.270 1.00 0.40 C ATOM 2292 O LYS B 43 13.489 7.347 7.908 1.00 0.50 O ATOM 2293 CB LYS B 43 15.652 5.809 9.866 1.00 0.57 C ATOM 2294 CG LYS B 43 16.383 5.587 11.178 1.00 0.73 C ATOM 2295 CD LYS B 43 17.839 6.012 11.085 1.00 0.81 C ATOM 2296 CE LYS B 43 18.013 7.496 11.365 1.00 1.70 C ATOM 2297 NZ LYS B 43 19.402 7.945 11.097 1.00 2.45 N ATOM 0 H LYS B 43 13.163 6.654 10.429 1.00 0.46 H new ATOM 0 HA LYS B 43 15.793 7.947 10.015 1.00 0.47 H new ATOM 0 HB2 LYS B 43 14.856 5.070 9.776 1.00 0.57 H new ATOM 0 HB3 LYS B 43 16.344 5.634 9.042 1.00 0.57 H new ATOM 0 HG2 LYS B 43 15.889 6.149 11.970 1.00 0.73 H new ATOM 0 HG3 LYS B 43 16.327 4.534 11.453 1.00 0.73 H new ATOM 0 HD2 LYS B 43 18.432 5.436 11.796 1.00 0.81 H new ATOM 0 HD3 LYS B 43 18.222 5.782 10.091 1.00 0.81 H new ATOM 0 HE2 LYS B 43 17.320 8.067 10.747 1.00 1.70 H new ATOM 0 HE3 LYS B 43 17.758 7.703 12.404 1.00 1.70 H new ATOM 0 HZ1 LYS B 43 19.405 8.966 10.899 1.00 2.45 H new ATOM 0 HZ2 LYS B 43 19.996 7.752 11.929 1.00 2.45 H new ATOM 0 HZ3 LYS B 43 19.780 7.432 10.275 1.00 2.45 H new ATOM 2311 N ASN B 44 15.649 7.770 7.447 1.00 0.32 N ATOM 2312 CA ASN B 44 15.410 8.010 6.034 1.00 0.29 C ATOM 2313 C ASN B 44 15.731 6.749 5.246 1.00 0.28 C ATOM 2314 O ASN B 44 16.781 6.140 5.446 1.00 0.30 O ATOM 2315 CB ASN B 44 16.263 9.178 5.516 1.00 0.30 C ATOM 2316 CG ASN B 44 15.866 10.520 6.108 1.00 0.91 C ATOM 2317 OD1 ASN B 44 16.338 10.904 7.178 1.00 1.92 O ATOM 2318 ND2 ASN B 44 15.018 11.258 5.406 1.00 0.70 N ATOM 0 H ASN B 44 16.622 7.872 7.734 1.00 0.32 H new ATOM 0 HA ASN B 44 14.361 8.274 5.902 1.00 0.29 H new ATOM 0 HB2 ASN B 44 17.311 8.983 5.745 1.00 0.30 H new ATOM 0 HB3 ASN B 44 16.178 9.228 4.430 1.00 0.30 H new ATOM 0 HD21 ASN B 44 14.737 12.177 5.749 1.00 0.70 H new ATOM 0 HD22 ASN B 44 14.647 10.907 4.523 1.00 0.70 H new ATOM 2325 N ILE B 45 14.827 6.358 4.357 1.00 0.25 N ATOM 2326 CA ILE B 45 15.015 5.163 3.534 1.00 0.25 C ATOM 2327 C ILE B 45 16.320 5.226 2.732 1.00 0.24 C ATOM 2328 O ILE B 45 16.921 4.199 2.419 1.00 0.31 O ATOM 2329 CB ILE B 45 13.816 4.957 2.575 1.00 0.25 C ATOM 2330 CG1 ILE B 45 14.033 3.725 1.690 1.00 0.27 C ATOM 2331 CG2 ILE B 45 13.587 6.199 1.721 1.00 0.24 C ATOM 2332 CD1 ILE B 45 12.808 3.315 0.904 1.00 0.28 C ATOM 0 H ILE B 45 13.951 6.852 4.185 1.00 0.25 H new ATOM 0 HA ILE B 45 15.075 4.313 4.214 1.00 0.25 H new ATOM 0 HB ILE B 45 12.924 4.790 3.179 1.00 0.25 H new ATOM 0 HG12 ILE B 45 14.848 3.927 0.995 1.00 0.27 H new ATOM 0 HG13 ILE B 45 14.348 2.890 2.316 1.00 0.27 H new ATOM 0 HG21 ILE B 45 12.740 6.032 1.055 1.00 0.24 H new ATOM 0 HG22 ILE B 45 13.378 7.051 2.367 1.00 0.24 H new ATOM 0 HG23 ILE B 45 14.479 6.403 1.129 1.00 0.24 H new ATOM 0 HD11 ILE B 45 13.039 2.436 0.302 1.00 0.28 H new ATOM 0 HD12 ILE B 45 11.996 3.080 1.592 1.00 0.28 H new ATOM 0 HD13 ILE B 45 12.504 4.133 0.251 1.00 0.28 H new ATOM 2344 N VAL B 46 16.771 6.439 2.442 1.00 0.21 N ATOM 2345 CA VAL B 46 17.993 6.647 1.680 1.00 0.23 C ATOM 2346 C VAL B 46 19.228 6.173 2.460 1.00 0.23 C ATOM 2347 O VAL B 46 20.253 5.835 1.869 1.00 0.29 O ATOM 2348 CB VAL B 46 18.147 8.137 1.287 1.00 0.26 C ATOM 2349 CG1 VAL B 46 18.566 8.987 2.480 1.00 1.08 C ATOM 2350 CG2 VAL B 46 19.130 8.297 0.138 1.00 1.15 C ATOM 0 H VAL B 46 16.304 7.300 2.726 1.00 0.21 H new ATOM 0 HA VAL B 46 17.918 6.050 0.771 1.00 0.23 H new ATOM 0 HB VAL B 46 17.172 8.492 0.953 1.00 0.26 H new ATOM 0 HG11 VAL B 46 18.665 10.027 2.169 1.00 1.08 H new ATOM 0 HG12 VAL B 46 17.811 8.913 3.263 1.00 1.08 H new ATOM 0 HG13 VAL B 46 19.522 8.630 2.863 1.00 1.08 H new ATOM 0 HG21 VAL B 46 19.220 9.352 -0.119 1.00 1.15 H new ATOM 0 HG22 VAL B 46 20.105 7.911 0.437 1.00 1.15 H new ATOM 0 HG23 VAL B 46 18.770 7.742 -0.728 1.00 1.15 H new ATOM 2360 N GLU B 47 19.114 6.122 3.786 1.00 0.23 N ATOM 2361 CA GLU B 47 20.222 5.692 4.635 1.00 0.27 C ATOM 2362 C GLU B 47 20.479 4.200 4.477 1.00 0.25 C ATOM 2363 O GLU B 47 21.624 3.753 4.442 1.00 0.35 O ATOM 2364 CB GLU B 47 19.923 5.996 6.103 1.00 0.34 C ATOM 2365 CG GLU B 47 19.583 7.451 6.373 1.00 0.42 C ATOM 2366 CD GLU B 47 19.424 7.742 7.848 1.00 1.07 C ATOM 2367 OE1 GLU B 47 20.437 7.690 8.582 1.00 1.06 O ATOM 2368 OE2 GLU B 47 18.291 8.024 8.286 1.00 1.96 O ATOM 0 H GLU B 47 18.266 6.373 4.295 1.00 0.23 H new ATOM 0 HA GLU B 47 21.110 6.242 4.324 1.00 0.27 H new ATOM 0 HB2 GLU B 47 19.092 5.372 6.431 1.00 0.34 H new ATOM 0 HB3 GLU B 47 20.788 5.717 6.705 1.00 0.34 H new ATOM 0 HG2 GLU B 47 20.368 8.087 5.963 1.00 0.42 H new ATOM 0 HG3 GLU B 47 18.660 7.708 5.853 1.00 0.42 H new ATOM 2375 N PHE B 48 19.405 3.438 4.364 1.00 0.22 N ATOM 2376 CA PHE B 48 19.501 1.992 4.217 1.00 0.26 C ATOM 2377 C PHE B 48 19.530 1.605 2.745 1.00 0.26 C ATOM 2378 O PHE B 48 19.257 0.463 2.382 1.00 0.33 O ATOM 2379 CB PHE B 48 18.324 1.309 4.917 1.00 0.32 C ATOM 2380 CG PHE B 48 18.143 1.727 6.351 1.00 0.35 C ATOM 2381 CD1 PHE B 48 17.352 2.820 6.674 1.00 0.39 C ATOM 2382 CD2 PHE B 48 18.757 1.025 7.376 1.00 0.40 C ATOM 2383 CE1 PHE B 48 17.182 3.205 7.990 1.00 0.45 C ATOM 2384 CE2 PHE B 48 18.589 1.407 8.694 1.00 0.45 C ATOM 2385 CZ PHE B 48 17.800 2.498 9.001 1.00 0.46 C ATOM 0 H PHE B 48 18.450 3.797 4.371 1.00 0.22 H new ATOM 0 HA PHE B 48 20.429 1.660 4.682 1.00 0.26 H new ATOM 0 HB2 PHE B 48 17.409 1.528 4.366 1.00 0.32 H new ATOM 0 HB3 PHE B 48 18.468 0.229 4.879 1.00 0.32 H new ATOM 0 HD1 PHE B 48 16.863 3.376 5.888 1.00 0.39 H new ATOM 0 HD2 PHE B 48 19.374 0.170 7.143 1.00 0.40 H new ATOM 0 HE1 PHE B 48 16.565 4.059 8.227 1.00 0.45 H new ATOM 0 HE2 PHE B 48 19.075 0.852 9.483 1.00 0.45 H new ATOM 0 HZ PHE B 48 17.667 2.797 10.030 1.00 0.46 H new ATOM 2395 N CYS B 49 19.871 2.563 1.900 1.00 0.23 N ATOM 2396 CA CYS B 49 19.933 2.332 0.472 1.00 0.28 C ATOM 2397 C CYS B 49 21.376 2.352 -0.012 1.00 0.30 C ATOM 2398 O CYS B 49 22.238 2.995 0.591 1.00 0.38 O ATOM 2399 CB CYS B 49 19.122 3.395 -0.268 1.00 0.31 C ATOM 2400 SG CYS B 49 19.051 3.161 -2.059 1.00 1.17 S ATOM 0 H CYS B 49 20.110 3.513 2.183 1.00 0.23 H new ATOM 0 HA CYS B 49 19.509 1.350 0.264 1.00 0.28 H new ATOM 0 HB2 CYS B 49 18.106 3.401 0.127 1.00 0.31 H new ATOM 0 HB3 CYS B 49 19.551 4.375 -0.058 1.00 0.31 H new ATOM 0 HG CYS B 49 18.322 2.120 -2.332 1.00 1.17 H new ATOM 2406 N HIS B 50 21.623 1.626 -1.090 1.00 0.32 N ATOM 2407 CA HIS B 50 22.944 1.549 -1.699 1.00 0.38 C ATOM 2408 C HIS B 50 23.371 2.936 -2.172 1.00 0.32 C ATOM 2409 O HIS B 50 22.605 3.612 -2.845 1.00 0.31 O ATOM 2410 CB HIS B 50 22.883 0.576 -2.879 1.00 0.54 C ATOM 2411 CG HIS B 50 24.206 0.058 -3.348 1.00 0.41 C ATOM 2412 ND1 HIS B 50 24.488 -0.164 -4.673 1.00 1.06 N ATOM 2413 CD2 HIS B 50 25.313 -0.316 -2.665 1.00 1.18 C ATOM 2414 CE1 HIS B 50 25.704 -0.653 -4.788 1.00 0.87 C ATOM 2415 NE2 HIS B 50 26.231 -0.753 -3.582 1.00 1.08 N ATOM 0 H HIS B 50 20.913 1.072 -1.569 1.00 0.32 H new ATOM 0 HA HIS B 50 23.675 1.192 -0.973 1.00 0.38 H new ATOM 0 HB2 HIS B 50 22.258 -0.272 -2.598 1.00 0.54 H new ATOM 0 HB3 HIS B 50 22.389 1.073 -3.714 1.00 0.54 H new ATOM 0 HD1 HIS B 50 23.853 0.022 -5.449 1.00 1.06 H new ATOM 0 HD2 HIS B 50 25.447 -0.277 -1.594 1.00 1.18 H new ATOM 0 HE1 HIS B 50 26.189 -0.927 -5.713 1.00 0.87 H new ATOM 2424 N PRO B 51 24.586 3.384 -1.810 1.00 0.35 N ATOM 2425 CA PRO B 51 25.104 4.706 -2.198 1.00 0.38 C ATOM 2426 C PRO B 51 24.914 5.023 -3.682 1.00 0.36 C ATOM 2427 O PRO B 51 24.405 6.086 -4.039 1.00 0.46 O ATOM 2428 CB PRO B 51 26.588 4.603 -1.857 1.00 0.47 C ATOM 2429 CG PRO B 51 26.632 3.659 -0.708 1.00 0.72 C ATOM 2430 CD PRO B 51 25.550 2.648 -0.969 1.00 0.44 C ATOM 0 HA PRO B 51 24.577 5.511 -1.685 1.00 0.38 H new ATOM 0 HB2 PRO B 51 27.166 4.229 -2.702 1.00 0.47 H new ATOM 0 HB3 PRO B 51 27.004 5.575 -1.591 1.00 0.47 H new ATOM 0 HG2 PRO B 51 27.607 3.178 -0.634 1.00 0.72 H new ATOM 0 HG3 PRO B 51 26.461 4.181 0.234 1.00 0.72 H new ATOM 0 HD2 PRO B 51 25.938 1.767 -1.481 1.00 0.44 H new ATOM 0 HD3 PRO B 51 25.092 2.302 -0.042 1.00 0.44 H new ATOM 2438 N GLU B 52 25.304 4.091 -4.539 1.00 0.37 N ATOM 2439 CA GLU B 52 25.182 4.274 -5.982 1.00 0.38 C ATOM 2440 C GLU B 52 23.737 4.114 -6.460 1.00 0.37 C ATOM 2441 O GLU B 52 23.461 4.219 -7.654 1.00 0.40 O ATOM 2442 CB GLU B 52 26.080 3.279 -6.724 1.00 0.45 C ATOM 2443 CG GLU B 52 27.506 3.223 -6.196 1.00 0.78 C ATOM 2444 CD GLU B 52 27.710 2.112 -5.185 1.00 1.36 C ATOM 2445 OE1 GLU B 52 27.163 2.208 -4.065 1.00 2.04 O ATOM 2446 OE2 GLU B 52 28.413 1.131 -5.507 1.00 1.70 O ATOM 0 H GLU B 52 25.709 3.197 -4.261 1.00 0.37 H new ATOM 0 HA GLU B 52 25.500 5.293 -6.204 1.00 0.38 H new ATOM 0 HB2 GLU B 52 25.638 2.285 -6.655 1.00 0.45 H new ATOM 0 HB3 GLU B 52 26.104 3.545 -7.781 1.00 0.45 H new ATOM 0 HG2 GLU B 52 28.193 3.081 -7.030 1.00 0.78 H new ATOM 0 HG3 GLU B 52 27.757 4.179 -5.736 1.00 0.78 H new ATOM 2453 N ASP B 53 22.820 3.862 -5.536 1.00 0.36 N ATOM 2454 CA ASP B 53 21.408 3.689 -5.878 1.00 0.37 C ATOM 2455 C ASP B 53 20.541 4.684 -5.111 1.00 0.38 C ATOM 2456 O ASP B 53 19.313 4.675 -5.224 1.00 0.42 O ATOM 2457 CB ASP B 53 20.946 2.261 -5.564 1.00 0.47 C ATOM 2458 CG ASP B 53 21.477 1.233 -6.544 1.00 0.48 C ATOM 2459 OD1 ASP B 53 20.974 1.173 -7.684 1.00 1.09 O ATOM 2460 OD2 ASP B 53 22.393 0.463 -6.174 1.00 1.10 O ATOM 0 H ASP B 53 23.026 3.772 -4.541 1.00 0.36 H new ATOM 0 HA ASP B 53 21.299 3.872 -6.947 1.00 0.37 H new ATOM 0 HB2 ASP B 53 21.269 1.995 -4.557 1.00 0.47 H new ATOM 0 HB3 ASP B 53 19.856 2.229 -5.569 1.00 0.47 H new ATOM 2465 N GLN B 54 21.193 5.551 -4.341 1.00 0.41 N ATOM 2466 CA GLN B 54 20.499 6.548 -3.533 1.00 0.47 C ATOM 2467 C GLN B 54 19.778 7.572 -4.401 1.00 0.50 C ATOM 2468 O GLN B 54 18.614 7.895 -4.151 1.00 0.53 O ATOM 2469 CB GLN B 54 21.483 7.244 -2.592 1.00 0.56 C ATOM 2470 CG GLN B 54 21.800 6.435 -1.345 1.00 0.65 C ATOM 2471 CD GLN B 54 22.749 7.153 -0.409 1.00 0.69 C ATOM 2472 OE1 GLN B 54 23.614 7.911 -0.843 1.00 1.10 O ATOM 2473 NE2 GLN B 54 22.590 6.927 0.883 1.00 0.80 N ATOM 0 H GLN B 54 22.209 5.582 -4.260 1.00 0.41 H new ATOM 0 HA GLN B 54 19.745 6.030 -2.940 1.00 0.47 H new ATOM 0 HB2 GLN B 54 22.409 7.445 -3.131 1.00 0.56 H new ATOM 0 HB3 GLN B 54 21.071 8.208 -2.295 1.00 0.56 H new ATOM 0 HG2 GLN B 54 20.873 6.212 -0.816 1.00 0.65 H new ATOM 0 HG3 GLN B 54 22.237 5.480 -1.637 1.00 0.65 H new ATOM 0 HE21 GLN B 54 21.860 6.291 1.203 1.00 0.80 H new ATOM 0 HE22 GLN B 54 23.197 7.389 1.560 1.00 0.80 H new ATOM 2482 N GLN B 55 20.462 8.076 -5.423 1.00 0.54 N ATOM 2483 CA GLN B 55 19.867 9.059 -6.322 1.00 0.61 C ATOM 2484 C GLN B 55 18.713 8.432 -7.094 1.00 0.52 C ATOM 2485 O GLN B 55 17.693 9.075 -7.325 1.00 0.52 O ATOM 2486 CB GLN B 55 20.913 9.621 -7.290 1.00 0.76 C ATOM 2487 CG GLN B 55 20.372 10.696 -8.224 1.00 1.33 C ATOM 2488 CD GLN B 55 19.670 11.827 -7.488 1.00 1.73 C ATOM 2489 OE1 GLN B 55 20.003 12.151 -6.348 1.00 2.72 O ATOM 2490 NE2 GLN B 55 18.693 12.436 -8.139 1.00 1.51 N ATOM 0 H GLN B 55 21.424 7.822 -5.649 1.00 0.54 H new ATOM 0 HA GLN B 55 19.484 9.884 -5.722 1.00 0.61 H new ATOM 0 HB2 GLN B 55 21.741 10.036 -6.715 1.00 0.76 H new ATOM 0 HB3 GLN B 55 21.318 8.804 -7.887 1.00 0.76 H new ATOM 0 HG2 GLN B 55 21.194 11.107 -8.810 1.00 1.33 H new ATOM 0 HG3 GLN B 55 19.675 10.241 -8.928 1.00 1.33 H new ATOM 0 HE21 GLN B 55 18.446 12.139 -9.083 1.00 1.51 H new ATOM 0 HE22 GLN B 55 18.186 13.203 -7.697 1.00 1.51 H new ATOM 2499 N LEU B 56 18.879 7.172 -7.476 1.00 0.51 N ATOM 2500 CA LEU B 56 17.848 6.445 -8.206 1.00 0.51 C ATOM 2501 C LEU B 56 16.562 6.406 -7.389 1.00 0.42 C ATOM 2502 O LEU B 56 15.468 6.630 -7.915 1.00 0.42 O ATOM 2503 CB LEU B 56 18.324 5.023 -8.516 1.00 0.60 C ATOM 2504 CG LEU B 56 17.400 4.207 -9.421 1.00 0.63 C ATOM 2505 CD1 LEU B 56 17.301 4.846 -10.799 1.00 1.29 C ATOM 2506 CD2 LEU B 56 17.897 2.773 -9.529 1.00 1.42 C ATOM 0 H LEU B 56 19.723 6.630 -7.291 1.00 0.51 H new ATOM 0 HA LEU B 56 17.651 6.959 -9.147 1.00 0.51 H new ATOM 0 HB2 LEU B 56 19.306 5.081 -8.985 1.00 0.60 H new ATOM 0 HB3 LEU B 56 18.450 4.487 -7.575 1.00 0.60 H new ATOM 0 HG LEU B 56 16.404 4.194 -8.979 1.00 0.63 H new ATOM 0 HD11 LEU B 56 16.639 4.252 -11.429 1.00 1.29 H new ATOM 0 HD12 LEU B 56 16.901 5.856 -10.704 1.00 1.29 H new ATOM 0 HD13 LEU B 56 18.291 4.889 -11.252 1.00 1.29 H new ATOM 0 HD21 LEU B 56 17.229 2.204 -10.176 1.00 1.42 H new ATOM 0 HD22 LEU B 56 18.902 2.767 -9.950 1.00 1.42 H new ATOM 0 HD23 LEU B 56 17.916 2.319 -8.538 1.00 1.42 H new ATOM 2518 N LEU B 57 16.703 6.138 -6.096 1.00 0.40 N ATOM 2519 CA LEU B 57 15.561 6.090 -5.198 1.00 0.39 C ATOM 2520 C LEU B 57 14.932 7.475 -5.076 1.00 0.37 C ATOM 2521 O LEU B 57 13.717 7.628 -5.197 1.00 0.39 O ATOM 2522 CB LEU B 57 15.989 5.594 -3.817 1.00 0.48 C ATOM 2523 CG LEU B 57 15.325 4.297 -3.349 1.00 0.60 C ATOM 2524 CD1 LEU B 57 15.598 4.067 -1.871 1.00 1.01 C ATOM 2525 CD2 LEU B 57 13.826 4.329 -3.616 1.00 1.15 C ATOM 0 H LEU B 57 17.600 5.951 -5.648 1.00 0.40 H new ATOM 0 HA LEU B 57 14.826 5.397 -5.609 1.00 0.39 H new ATOM 0 HB2 LEU B 57 17.069 5.448 -3.821 1.00 0.48 H new ATOM 0 HB3 LEU B 57 15.776 6.375 -3.087 1.00 0.48 H new ATOM 0 HG LEU B 57 15.753 3.470 -3.915 1.00 0.60 H new ATOM 0 HD11 LEU B 57 15.119 3.141 -1.552 1.00 1.01 H new ATOM 0 HD12 LEU B 57 16.673 3.995 -1.706 1.00 1.01 H new ATOM 0 HD13 LEU B 57 15.197 4.900 -1.293 1.00 1.01 H new ATOM 0 HD21 LEU B 57 13.376 3.397 -3.275 1.00 1.15 H new ATOM 0 HD22 LEU B 57 13.379 5.166 -3.079 1.00 1.15 H new ATOM 0 HD23 LEU B 57 13.649 4.448 -4.685 1.00 1.15 H new ATOM 2537 N ARG B 58 15.774 8.478 -4.853 1.00 0.42 N ATOM 2538 CA ARG B 58 15.321 9.858 -4.718 1.00 0.50 C ATOM 2539 C ARG B 58 14.604 10.320 -5.986 1.00 0.44 C ATOM 2540 O ARG B 58 13.533 10.926 -5.921 1.00 0.44 O ATOM 2541 CB ARG B 58 16.511 10.772 -4.430 1.00 0.65 C ATOM 2542 CG ARG B 58 16.145 12.242 -4.339 1.00 1.08 C ATOM 2543 CD ARG B 58 17.386 13.110 -4.278 1.00 1.12 C ATOM 2544 NE ARG B 58 17.063 14.531 -4.357 1.00 1.90 N ATOM 2545 CZ ARG B 58 17.970 15.500 -4.387 1.00 2.21 C ATOM 2546 NH1 ARG B 58 19.261 15.207 -4.286 1.00 1.97 N ATOM 2547 NH2 ARG B 58 17.583 16.765 -4.500 1.00 3.01 N ATOM 0 H ARG B 58 16.783 8.359 -4.761 1.00 0.42 H new ATOM 0 HA ARG B 58 14.618 9.910 -3.886 1.00 0.50 H new ATOM 0 HB2 ARG B 58 16.976 10.464 -3.493 1.00 0.65 H new ATOM 0 HB3 ARG B 58 17.257 10.640 -5.214 1.00 0.65 H new ATOM 0 HG2 ARG B 58 15.542 12.524 -5.202 1.00 1.08 H new ATOM 0 HG3 ARG B 58 15.533 12.414 -3.453 1.00 1.08 H new ATOM 0 HD2 ARG B 58 17.922 12.911 -3.350 1.00 1.12 H new ATOM 0 HD3 ARG B 58 18.055 12.844 -5.096 1.00 1.12 H new ATOM 0 HE ARG B 58 16.079 14.796 -4.391 1.00 1.90 H new ATOM 0 HH11 ARG B 58 19.557 14.236 -4.185 1.00 1.97 H new ATOM 0 HH12 ARG B 58 19.957 15.953 -4.309 1.00 1.97 H new ATOM 0 HH21 ARG B 58 16.590 16.991 -4.564 1.00 3.01 H new ATOM 0 HH22 ARG B 58 18.278 17.511 -4.523 1.00 3.01 H new ATOM 2561 N ASP B 59 15.201 10.022 -7.132 1.00 0.42 N ATOM 2562 CA ASP B 59 14.630 10.391 -8.423 1.00 0.43 C ATOM 2563 C ASP B 59 13.253 9.769 -8.602 1.00 0.37 C ATOM 2564 O ASP B 59 12.313 10.433 -9.044 1.00 0.39 O ATOM 2565 CB ASP B 59 15.549 9.943 -9.558 1.00 0.49 C ATOM 2566 CG ASP B 59 15.016 10.331 -10.919 1.00 0.58 C ATOM 2567 OD1 ASP B 59 15.212 11.497 -11.327 1.00 0.76 O ATOM 2568 OD2 ASP B 59 14.400 9.477 -11.590 1.00 0.78 O ATOM 0 H ASP B 59 16.088 9.522 -7.195 1.00 0.42 H new ATOM 0 HA ASP B 59 14.530 11.476 -8.450 1.00 0.43 H new ATOM 0 HB2 ASP B 59 16.536 10.384 -9.418 1.00 0.49 H new ATOM 0 HB3 ASP B 59 15.674 8.861 -9.515 1.00 0.49 H new ATOM 2573 N SER B 60 13.143 8.495 -8.247 1.00 0.33 N ATOM 2574 CA SER B 60 11.884 7.773 -8.357 1.00 0.33 C ATOM 2575 C SER B 60 10.841 8.359 -7.408 1.00 0.28 C ATOM 2576 O SER B 60 9.656 8.427 -7.741 1.00 0.29 O ATOM 2577 CB SER B 60 12.102 6.288 -8.063 1.00 0.39 C ATOM 2578 OG SER B 60 13.130 5.754 -8.883 1.00 1.41 O ATOM 0 H SER B 60 13.915 7.939 -7.879 1.00 0.33 H new ATOM 0 HA SER B 60 11.512 7.877 -9.376 1.00 0.33 H new ATOM 0 HB2 SER B 60 12.363 6.156 -7.013 1.00 0.39 H new ATOM 0 HB3 SER B 60 11.175 5.740 -8.232 1.00 0.39 H new ATOM 0 HG SER B 60 13.994 5.852 -8.430 1.00 1.41 H new ATOM 2584 N PHE B 61 11.287 8.788 -6.231 1.00 0.30 N ATOM 2585 CA PHE B 61 10.390 9.384 -5.248 1.00 0.32 C ATOM 2586 C PHE B 61 9.808 10.681 -5.790 1.00 0.33 C ATOM 2587 O PHE B 61 8.600 10.893 -5.754 1.00 0.34 O ATOM 2588 CB PHE B 61 11.118 9.649 -3.927 1.00 0.39 C ATOM 2589 CG PHE B 61 11.304 8.424 -3.079 1.00 0.43 C ATOM 2590 CD1 PHE B 61 10.387 7.386 -3.124 1.00 0.62 C ATOM 2591 CD2 PHE B 61 12.395 8.313 -2.236 1.00 0.59 C ATOM 2592 CE1 PHE B 61 10.558 6.260 -2.343 1.00 0.70 C ATOM 2593 CE2 PHE B 61 12.571 7.191 -1.452 1.00 0.65 C ATOM 2594 CZ PHE B 61 11.652 6.163 -1.506 1.00 0.60 C ATOM 0 H PHE B 61 12.262 8.734 -5.936 1.00 0.30 H new ATOM 0 HA PHE B 61 9.581 8.679 -5.056 1.00 0.32 H new ATOM 0 HB2 PHE B 61 12.095 10.082 -4.142 1.00 0.39 H new ATOM 0 HB3 PHE B 61 10.559 10.392 -3.358 1.00 0.39 H new ATOM 0 HD1 PHE B 61 9.530 7.458 -3.777 1.00 0.62 H new ATOM 0 HD2 PHE B 61 13.118 9.114 -2.191 1.00 0.59 H new ATOM 0 HE1 PHE B 61 9.837 5.457 -2.387 1.00 0.70 H new ATOM 0 HE2 PHE B 61 13.427 7.118 -0.797 1.00 0.65 H new ATOM 0 HZ PHE B 61 11.788 5.283 -0.894 1.00 0.60 H new ATOM 2604 N GLN B 62 10.675 11.540 -6.305 1.00 0.35 N ATOM 2605 CA GLN B 62 10.239 12.811 -6.867 1.00 0.41 C ATOM 2606 C GLN B 62 9.360 12.573 -8.090 1.00 0.37 C ATOM 2607 O GLN B 62 8.424 13.326 -8.351 1.00 0.40 O ATOM 2608 CB GLN B 62 11.445 13.678 -7.238 1.00 0.52 C ATOM 2609 CG GLN B 62 12.336 14.023 -6.051 1.00 0.79 C ATOM 2610 CD GLN B 62 11.639 14.879 -5.005 1.00 1.44 C ATOM 2611 OE1 GLN B 62 10.809 15.811 -5.448 1.00 2.08 O flip ATOM 2612 NE2 GLN B 62 11.869 14.719 -3.804 1.00 2.12 N flip ATOM 0 H GLN B 62 11.682 11.382 -6.346 1.00 0.35 H new ATOM 0 HA GLN B 62 9.655 13.340 -6.114 1.00 0.41 H new ATOM 0 HB2 GLN B 62 12.039 13.157 -7.989 1.00 0.52 H new ATOM 0 HB3 GLN B 62 11.091 14.601 -7.696 1.00 0.52 H new ATOM 0 HG2 GLN B 62 12.681 13.100 -5.584 1.00 0.79 H new ATOM 0 HG3 GLN B 62 13.221 14.549 -6.410 1.00 0.79 H new ATOM 0 HE21 GLN B 62 12.515 13.990 -3.501 1.00 2.12 H new ATOM 0 HE22 GLN B 62 11.413 15.316 -3.114 1.00 2.12 H new ATOM 2621 N GLN B 63 9.655 11.507 -8.823 1.00 0.34 N ATOM 2622 CA GLN B 63 8.893 11.164 -10.014 1.00 0.36 C ATOM 2623 C GLN B 63 7.492 10.678 -9.657 1.00 0.29 C ATOM 2624 O GLN B 63 6.516 11.093 -10.278 1.00 0.32 O ATOM 2625 CB GLN B 63 9.618 10.096 -10.829 1.00 0.44 C ATOM 2626 CG GLN B 63 10.409 10.655 -12.000 1.00 0.66 C ATOM 2627 CD GLN B 63 10.797 9.589 -13.006 1.00 0.76 C ATOM 2628 OE1 GLN B 63 10.053 9.305 -13.944 1.00 1.33 O ATOM 2629 NE2 GLN B 63 11.968 9.000 -12.831 1.00 1.23 N ATOM 0 H GLN B 63 10.419 10.864 -8.612 1.00 0.34 H new ATOM 0 HA GLN B 63 8.800 12.069 -10.614 1.00 0.36 H new ATOM 0 HB2 GLN B 63 10.295 9.548 -10.173 1.00 0.44 H new ATOM 0 HB3 GLN B 63 8.887 9.379 -11.204 1.00 0.44 H new ATOM 0 HG2 GLN B 63 9.817 11.422 -12.500 1.00 0.66 H new ATOM 0 HG3 GLN B 63 11.310 11.141 -11.626 1.00 0.66 H new ATOM 0 HE21 GLN B 63 12.558 9.262 -12.041 1.00 1.23 H new ATOM 0 HE22 GLN B 63 12.281 8.284 -13.486 1.00 1.23 H new ATOM 2638 N VAL B 64 7.387 9.814 -8.648 1.00 0.26 N ATOM 2639 CA VAL B 64 6.088 9.286 -8.245 1.00 0.26 C ATOM 2640 C VAL B 64 5.196 10.400 -7.697 1.00 0.26 C ATOM 2641 O VAL B 64 3.968 10.317 -7.768 1.00 0.28 O ATOM 2642 CB VAL B 64 6.209 8.132 -7.219 1.00 0.28 C ATOM 2643 CG1 VAL B 64 6.558 8.640 -5.828 1.00 0.31 C ATOM 2644 CG2 VAL B 64 4.926 7.318 -7.182 1.00 0.30 C ATOM 0 H VAL B 64 8.176 9.469 -8.102 1.00 0.26 H new ATOM 0 HA VAL B 64 5.625 8.871 -9.140 1.00 0.26 H new ATOM 0 HB VAL B 64 7.027 7.490 -7.545 1.00 0.28 H new ATOM 0 HG11 VAL B 64 6.633 7.797 -5.141 1.00 0.31 H new ATOM 0 HG12 VAL B 64 7.512 9.166 -5.862 1.00 0.31 H new ATOM 0 HG13 VAL B 64 5.780 9.321 -5.483 1.00 0.31 H new ATOM 0 HG21 VAL B 64 5.028 6.511 -6.456 1.00 0.30 H new ATOM 0 HG22 VAL B 64 4.095 7.962 -6.895 1.00 0.30 H new ATOM 0 HG23 VAL B 64 4.734 6.896 -8.169 1.00 0.30 H new ATOM 2654 N VAL B 65 5.823 11.448 -7.167 1.00 0.29 N ATOM 2655 CA VAL B 65 5.090 12.591 -6.641 1.00 0.33 C ATOM 2656 C VAL B 65 4.460 13.361 -7.801 1.00 0.37 C ATOM 2657 O VAL B 65 3.357 13.897 -7.689 1.00 0.45 O ATOM 2658 CB VAL B 65 6.011 13.532 -5.823 1.00 0.40 C ATOM 2659 CG1 VAL B 65 5.302 14.833 -5.472 1.00 0.48 C ATOM 2660 CG2 VAL B 65 6.498 12.836 -4.560 1.00 0.39 C ATOM 0 H VAL B 65 6.837 11.527 -7.092 1.00 0.29 H new ATOM 0 HA VAL B 65 4.314 12.222 -5.970 1.00 0.33 H new ATOM 0 HB VAL B 65 6.873 13.777 -6.444 1.00 0.40 H new ATOM 0 HG11 VAL B 65 5.975 15.471 -4.899 1.00 0.48 H new ATOM 0 HG12 VAL B 65 5.009 15.346 -6.388 1.00 0.48 H new ATOM 0 HG13 VAL B 65 4.414 14.615 -4.878 1.00 0.48 H new ATOM 0 HG21 VAL B 65 7.143 13.511 -3.998 1.00 0.39 H new ATOM 0 HG22 VAL B 65 5.642 12.557 -3.945 1.00 0.39 H new ATOM 0 HG23 VAL B 65 7.058 11.941 -4.831 1.00 0.39 H new ATOM 2670 N LYS B 66 5.165 13.381 -8.925 1.00 0.37 N ATOM 2671 CA LYS B 66 4.689 14.063 -10.119 1.00 0.45 C ATOM 2672 C LYS B 66 3.678 13.190 -10.860 1.00 0.41 C ATOM 2673 O LYS B 66 2.789 13.698 -11.546 1.00 0.49 O ATOM 2674 CB LYS B 66 5.863 14.410 -11.037 1.00 0.57 C ATOM 2675 CG LYS B 66 6.923 15.268 -10.363 1.00 0.74 C ATOM 2676 CD LYS B 66 8.172 15.398 -11.221 1.00 0.67 C ATOM 2677 CE LYS B 66 7.946 16.325 -12.400 1.00 1.44 C ATOM 2678 NZ LYS B 66 9.128 16.377 -13.299 1.00 2.19 N ATOM 0 H LYS B 66 6.073 12.930 -9.034 1.00 0.37 H new ATOM 0 HA LYS B 66 4.197 14.988 -9.818 1.00 0.45 H new ATOM 0 HB2 LYS B 66 6.323 13.487 -11.390 1.00 0.57 H new ATOM 0 HB3 LYS B 66 5.486 14.934 -11.915 1.00 0.57 H new ATOM 0 HG2 LYS B 66 6.515 16.259 -10.162 1.00 0.74 H new ATOM 0 HG3 LYS B 66 7.187 14.830 -9.400 1.00 0.74 H new ATOM 0 HD2 LYS B 66 8.994 15.776 -10.613 1.00 0.67 H new ATOM 0 HD3 LYS B 66 8.469 14.414 -11.583 1.00 0.67 H new ATOM 0 HE2 LYS B 66 7.076 15.989 -12.964 1.00 1.44 H new ATOM 0 HE3 LYS B 66 7.723 17.328 -12.036 1.00 1.44 H new ATOM 0 HZ1 LYS B 66 8.933 17.021 -14.092 1.00 2.19 H new ATOM 0 HZ2 LYS B 66 9.953 16.721 -12.768 1.00 2.19 H new ATOM 0 HZ3 LYS B 66 9.326 15.425 -13.667 1.00 2.19 H new ATOM 2692 N LEU B 67 3.830 11.876 -10.719 1.00 0.39 N ATOM 2693 CA LEU B 67 2.929 10.917 -11.354 1.00 0.43 C ATOM 2694 C LEU B 67 1.510 11.085 -10.827 1.00 0.62 C ATOM 2695 O LEU B 67 0.579 11.325 -11.598 1.00 1.30 O ATOM 2696 CB LEU B 67 3.406 9.482 -11.104 1.00 0.59 C ATOM 2697 CG LEU B 67 4.635 9.055 -11.905 1.00 0.54 C ATOM 2698 CD1 LEU B 67 5.090 7.670 -11.480 1.00 0.74 C ATOM 2699 CD2 LEU B 67 4.330 9.079 -13.391 1.00 0.79 C ATOM 0 H LEU B 67 4.574 11.448 -10.167 1.00 0.39 H new ATOM 0 HA LEU B 67 2.933 11.110 -12.427 1.00 0.43 H new ATOM 0 HB2 LEU B 67 3.627 9.370 -10.043 1.00 0.59 H new ATOM 0 HB3 LEU B 67 2.588 8.799 -11.333 1.00 0.59 H new ATOM 0 HG LEU B 67 5.442 9.760 -11.705 1.00 0.54 H new ATOM 0 HD11 LEU B 67 5.966 7.381 -12.060 1.00 0.74 H new ATOM 0 HD12 LEU B 67 5.344 7.680 -10.420 1.00 0.74 H new ATOM 0 HD13 LEU B 67 4.287 6.954 -11.654 1.00 0.74 H new ATOM 0 HD21 LEU B 67 5.215 8.773 -13.949 1.00 0.79 H new ATOM 0 HD22 LEU B 67 3.510 8.393 -13.605 1.00 0.79 H new ATOM 0 HD23 LEU B 67 4.046 10.089 -13.688 1.00 0.79 H new ATOM 2711 N LYS B 68 1.368 10.958 -9.507 1.00 0.48 N ATOM 2712 CA LYS B 68 0.080 11.098 -8.828 1.00 0.55 C ATOM 2713 C LYS B 68 -0.915 10.020 -9.256 1.00 0.47 C ATOM 2714 O LYS B 68 -1.492 10.074 -10.346 1.00 0.50 O ATOM 2715 CB LYS B 68 -0.517 12.486 -9.066 1.00 0.69 C ATOM 2716 CG LYS B 68 0.230 13.601 -8.358 1.00 0.56 C ATOM 2717 CD LYS B 68 -0.550 14.899 -8.418 1.00 0.67 C ATOM 2718 CE LYS B 68 0.198 16.041 -7.754 1.00 0.69 C ATOM 2719 NZ LYS B 68 -0.504 17.334 -7.946 1.00 1.04 N ATOM 0 H LYS B 68 2.145 10.755 -8.878 1.00 0.48 H new ATOM 0 HA LYS B 68 0.271 10.972 -7.762 1.00 0.55 H new ATOM 0 HB2 LYS B 68 -0.526 12.689 -10.137 1.00 0.69 H new ATOM 0 HB3 LYS B 68 -1.555 12.487 -8.733 1.00 0.69 H new ATOM 0 HG2 LYS B 68 0.404 13.324 -7.318 1.00 0.56 H new ATOM 0 HG3 LYS B 68 1.208 13.738 -8.819 1.00 0.56 H new ATOM 0 HD2 LYS B 68 -0.751 15.154 -9.459 1.00 0.67 H new ATOM 0 HD3 LYS B 68 -1.515 14.765 -7.930 1.00 0.67 H new ATOM 0 HE2 LYS B 68 0.303 15.838 -6.688 1.00 0.69 H new ATOM 0 HE3 LYS B 68 1.205 16.107 -8.167 1.00 0.69 H new ATOM 0 HZ1 LYS B 68 -0.054 18.064 -7.357 1.00 1.04 H new ATOM 0 HZ2 LYS B 68 -0.449 17.614 -8.946 1.00 1.04 H new ATOM 0 HZ3 LYS B 68 -1.501 17.232 -7.669 1.00 1.04 H new ATOM 2733 N GLY B 69 -1.117 9.046 -8.383 1.00 0.50 N ATOM 2734 CA GLY B 69 -2.044 7.972 -8.669 1.00 0.59 C ATOM 2735 C GLY B 69 -1.454 6.927 -9.589 1.00 0.54 C ATOM 2736 O GLY B 69 -2.152 6.373 -10.440 1.00 0.57 O ATOM 0 H GLY B 69 -0.653 8.980 -7.477 1.00 0.50 H new ATOM 0 HA2 GLY B 69 -2.347 7.499 -7.735 1.00 0.59 H new ATOM 0 HA3 GLY B 69 -2.944 8.385 -9.124 1.00 0.59 H new ATOM 2740 N GLN B 70 -0.166 6.664 -9.428 1.00 0.50 N ATOM 2741 CA GLN B 70 0.516 5.673 -10.241 1.00 0.46 C ATOM 2742 C GLN B 70 1.636 5.028 -9.435 1.00 0.38 C ATOM 2743 O GLN B 70 2.185 5.645 -8.521 1.00 0.37 O ATOM 2744 CB GLN B 70 1.066 6.309 -11.523 1.00 0.50 C ATOM 2745 CG GLN B 70 1.396 5.301 -12.617 1.00 1.31 C ATOM 2746 CD GLN B 70 0.370 4.185 -12.714 1.00 1.89 C ATOM 2747 OE1 GLN B 70 0.505 3.145 -12.064 1.00 2.68 O ATOM 2748 NE2 GLN B 70 -0.663 4.384 -13.514 1.00 2.32 N ATOM 0 H GLN B 70 0.428 7.126 -8.739 1.00 0.50 H new ATOM 0 HA GLN B 70 -0.198 4.902 -10.530 1.00 0.46 H new ATOM 0 HB2 GLN B 70 0.335 7.021 -11.907 1.00 0.50 H new ATOM 0 HB3 GLN B 70 1.965 6.875 -11.280 1.00 0.50 H new ATOM 0 HG2 GLN B 70 1.457 5.817 -13.575 1.00 1.31 H new ATOM 0 HG3 GLN B 70 2.378 4.870 -12.424 1.00 1.31 H new ATOM 0 HE21 GLN B 70 -0.743 5.256 -14.037 1.00 2.32 H new ATOM 0 HE22 GLN B 70 -1.381 3.665 -13.609 1.00 2.32 H new ATOM 2757 N VAL B 71 1.958 3.789 -9.769 1.00 0.36 N ATOM 2758 CA VAL B 71 2.997 3.054 -9.075 1.00 0.32 C ATOM 2759 C VAL B 71 4.311 3.108 -9.850 1.00 0.31 C ATOM 2760 O VAL B 71 4.331 3.024 -11.080 1.00 0.39 O ATOM 2761 CB VAL B 71 2.573 1.583 -8.831 1.00 0.38 C ATOM 2762 CG1 VAL B 71 2.368 0.838 -10.146 1.00 1.28 C ATOM 2763 CG2 VAL B 71 3.584 0.863 -7.953 1.00 1.35 C ATOM 0 H VAL B 71 1.509 3.270 -10.523 1.00 0.36 H new ATOM 0 HA VAL B 71 3.148 3.529 -8.106 1.00 0.32 H new ATOM 0 HB VAL B 71 1.618 1.599 -8.306 1.00 0.38 H new ATOM 0 HG11 VAL B 71 2.071 -0.190 -9.939 1.00 1.28 H new ATOM 0 HG12 VAL B 71 1.588 1.331 -10.726 1.00 1.28 H new ATOM 0 HG13 VAL B 71 3.298 0.840 -10.714 1.00 1.28 H new ATOM 0 HG21 VAL B 71 3.263 -0.167 -7.797 1.00 1.35 H new ATOM 0 HG22 VAL B 71 4.559 0.869 -8.440 1.00 1.35 H new ATOM 0 HG23 VAL B 71 3.656 1.370 -6.991 1.00 1.35 H new ATOM 2773 N LEU B 72 5.399 3.289 -9.124 1.00 0.27 N ATOM 2774 CA LEU B 72 6.716 3.349 -9.720 1.00 0.29 C ATOM 2775 C LEU B 72 7.660 2.396 -9.002 1.00 0.31 C ATOM 2776 O LEU B 72 8.176 2.706 -7.925 1.00 0.44 O ATOM 2777 CB LEU B 72 7.261 4.778 -9.666 1.00 0.35 C ATOM 2778 CG LEU B 72 8.400 5.073 -10.645 1.00 0.44 C ATOM 2779 CD1 LEU B 72 7.959 4.806 -12.075 1.00 1.37 C ATOM 2780 CD2 LEU B 72 8.871 6.509 -10.498 1.00 1.05 C ATOM 0 H LEU B 72 5.393 3.398 -8.110 1.00 0.27 H new ATOM 0 HA LEU B 72 6.641 3.047 -10.765 1.00 0.29 H new ATOM 0 HB2 LEU B 72 6.443 5.471 -9.864 1.00 0.35 H new ATOM 0 HB3 LEU B 72 7.611 4.979 -8.654 1.00 0.35 H new ATOM 0 HG LEU B 72 9.232 4.409 -10.410 1.00 0.44 H new ATOM 0 HD11 LEU B 72 8.782 5.022 -12.756 1.00 1.37 H new ATOM 0 HD12 LEU B 72 7.668 3.760 -12.177 1.00 1.37 H new ATOM 0 HD13 LEU B 72 7.110 5.444 -12.319 1.00 1.37 H new ATOM 0 HD21 LEU B 72 9.681 6.700 -11.202 1.00 1.05 H new ATOM 0 HD22 LEU B 72 8.043 7.187 -10.705 1.00 1.05 H new ATOM 0 HD23 LEU B 72 9.228 6.673 -9.481 1.00 1.05 H new ATOM 2792 N SER B 73 7.856 1.226 -9.586 1.00 0.27 N ATOM 2793 CA SER B 73 8.734 0.221 -9.014 1.00 0.33 C ATOM 2794 C SER B 73 10.186 0.521 -9.376 1.00 0.28 C ATOM 2795 O SER B 73 10.567 0.479 -10.547 1.00 0.31 O ATOM 2796 CB SER B 73 8.335 -1.172 -9.510 1.00 0.48 C ATOM 2797 OG SER B 73 6.961 -1.432 -9.260 1.00 1.38 O ATOM 0 H SER B 73 7.415 0.948 -10.463 1.00 0.27 H new ATOM 0 HA SER B 73 8.636 0.245 -7.929 1.00 0.33 H new ATOM 0 HB2 SER B 73 8.534 -1.251 -10.579 1.00 0.48 H new ATOM 0 HB3 SER B 73 8.947 -1.926 -9.015 1.00 0.48 H new ATOM 0 HG SER B 73 6.847 -1.725 -8.332 1.00 1.38 H new ATOM 2803 N VAL B 74 10.986 0.849 -8.377 1.00 0.29 N ATOM 2804 CA VAL B 74 12.391 1.155 -8.598 1.00 0.28 C ATOM 2805 C VAL B 74 13.260 -0.052 -8.241 1.00 0.23 C ATOM 2806 O VAL B 74 13.101 -0.653 -7.178 1.00 0.24 O ATOM 2807 CB VAL B 74 12.831 2.406 -7.792 1.00 0.34 C ATOM 2808 CG1 VAL B 74 12.410 2.298 -6.335 1.00 0.35 C ATOM 2809 CG2 VAL B 74 14.333 2.634 -7.907 1.00 0.41 C ATOM 0 H VAL B 74 10.688 0.911 -7.403 1.00 0.29 H new ATOM 0 HA VAL B 74 12.524 1.381 -9.656 1.00 0.28 H new ATOM 0 HB VAL B 74 12.326 3.270 -8.224 1.00 0.34 H new ATOM 0 HG11 VAL B 74 12.732 3.189 -5.796 1.00 0.35 H new ATOM 0 HG12 VAL B 74 11.325 2.210 -6.275 1.00 0.35 H new ATOM 0 HG13 VAL B 74 12.870 1.417 -5.888 1.00 0.35 H new ATOM 0 HG21 VAL B 74 14.612 3.517 -7.332 1.00 0.41 H new ATOM 0 HG22 VAL B 74 14.864 1.765 -7.518 1.00 0.41 H new ATOM 0 HG23 VAL B 74 14.599 2.783 -8.953 1.00 0.41 H new ATOM 2819 N MET B 75 14.154 -0.417 -9.148 1.00 0.21 N ATOM 2820 CA MET B 75 15.039 -1.556 -8.940 1.00 0.20 C ATOM 2821 C MET B 75 16.415 -1.085 -8.483 1.00 0.20 C ATOM 2822 O MET B 75 17.181 -0.514 -9.264 1.00 0.24 O ATOM 2823 CB MET B 75 15.163 -2.374 -10.227 1.00 0.26 C ATOM 2824 CG MET B 75 15.954 -3.661 -10.064 1.00 0.29 C ATOM 2825 SD MET B 75 14.958 -5.019 -9.417 1.00 0.41 S ATOM 2826 CE MET B 75 13.873 -5.332 -10.808 1.00 0.41 C ATOM 0 H MET B 75 14.287 0.061 -10.039 1.00 0.21 H new ATOM 0 HA MET B 75 14.611 -2.188 -8.162 1.00 0.20 H new ATOM 0 HB2 MET B 75 14.164 -2.616 -10.590 1.00 0.26 H new ATOM 0 HB3 MET B 75 15.640 -1.760 -10.992 1.00 0.26 H new ATOM 0 HG2 MET B 75 16.371 -3.950 -11.029 1.00 0.29 H new ATOM 0 HG3 MET B 75 16.795 -3.482 -9.394 1.00 0.29 H new ATOM 0 HE1 MET B 75 12.838 -5.170 -10.506 1.00 0.41 H new ATOM 0 HE2 MET B 75 14.123 -4.654 -11.624 1.00 0.41 H new ATOM 0 HE3 MET B 75 13.996 -6.363 -11.141 1.00 0.41 H new ATOM 2836 N PHE B 76 16.724 -1.328 -7.221 1.00 0.21 N ATOM 2837 CA PHE B 76 18.000 -0.917 -6.652 1.00 0.23 C ATOM 2838 C PHE B 76 18.484 -1.942 -5.630 1.00 0.22 C ATOM 2839 O PHE B 76 17.950 -3.049 -5.550 1.00 0.21 O ATOM 2840 CB PHE B 76 17.863 0.465 -5.995 1.00 0.26 C ATOM 2841 CG PHE B 76 16.892 0.500 -4.844 1.00 0.27 C ATOM 2842 CD1 PHE B 76 15.535 0.643 -5.071 1.00 0.31 C ATOM 2843 CD2 PHE B 76 17.338 0.386 -3.537 1.00 0.31 C ATOM 2844 CE1 PHE B 76 14.642 0.672 -4.019 1.00 0.37 C ATOM 2845 CE2 PHE B 76 16.449 0.413 -2.481 1.00 0.36 C ATOM 2846 CZ PHE B 76 15.100 0.556 -2.722 1.00 0.38 C ATOM 0 H PHE B 76 16.107 -1.810 -6.567 1.00 0.21 H new ATOM 0 HA PHE B 76 18.736 -0.855 -7.454 1.00 0.23 H new ATOM 0 HB2 PHE B 76 18.842 0.787 -5.641 1.00 0.26 H new ATOM 0 HB3 PHE B 76 17.544 1.185 -6.749 1.00 0.26 H new ATOM 0 HD1 PHE B 76 15.170 0.733 -6.083 1.00 0.31 H new ATOM 0 HD2 PHE B 76 18.394 0.275 -3.342 1.00 0.31 H new ATOM 0 HE1 PHE B 76 13.585 0.785 -4.211 1.00 0.37 H new ATOM 0 HE2 PHE B 76 16.811 0.322 -1.467 1.00 0.36 H new ATOM 0 HZ PHE B 76 14.402 0.577 -1.898 1.00 0.38 H new ATOM 2856 N ARG B 77 19.493 -1.572 -4.855 1.00 0.25 N ATOM 2857 CA ARG B 77 20.032 -2.453 -3.834 1.00 0.25 C ATOM 2858 C ARG B 77 19.785 -1.861 -2.452 1.00 0.23 C ATOM 2859 O ARG B 77 20.190 -0.733 -2.166 1.00 0.26 O ATOM 2860 CB ARG B 77 21.526 -2.685 -4.064 1.00 0.30 C ATOM 2861 CG ARG B 77 21.886 -4.148 -4.253 1.00 0.48 C ATOM 2862 CD ARG B 77 23.245 -4.303 -4.910 1.00 0.63 C ATOM 2863 NE ARG B 77 23.259 -3.763 -6.268 1.00 1.50 N ATOM 2864 CZ ARG B 77 23.864 -4.344 -7.300 1.00 1.87 C ATOM 2865 NH1 ARG B 77 24.464 -5.519 -7.150 1.00 1.59 N ATOM 2866 NH2 ARG B 77 23.855 -3.748 -8.485 1.00 2.97 N ATOM 0 H ARG B 77 19.955 -0.665 -4.916 1.00 0.25 H new ATOM 0 HA ARG B 77 19.525 -3.416 -3.895 1.00 0.25 H new ATOM 0 HB2 ARG B 77 21.842 -2.124 -4.943 1.00 0.30 H new ATOM 0 HB3 ARG B 77 22.083 -2.288 -3.215 1.00 0.30 H new ATOM 0 HG2 ARG B 77 21.888 -4.652 -3.286 1.00 0.48 H new ATOM 0 HG3 ARG B 77 21.127 -4.635 -4.865 1.00 0.48 H new ATOM 0 HD2 ARG B 77 23.999 -3.794 -4.309 1.00 0.63 H new ATOM 0 HD3 ARG B 77 23.517 -5.358 -4.936 1.00 0.63 H new ATOM 0 HE ARG B 77 22.773 -2.882 -6.435 1.00 1.50 H new ATOM 0 HH11 ARG B 77 24.462 -5.980 -6.240 1.00 1.59 H new ATOM 0 HH12 ARG B 77 24.927 -5.961 -7.945 1.00 1.59 H new ATOM 0 HH21 ARG B 77 23.386 -2.850 -8.600 1.00 2.97 H new ATOM 0 HH22 ARG B 77 24.317 -4.188 -9.281 1.00 2.97 H new ATOM 2880 N PHE B 78 19.115 -2.622 -1.604 1.00 0.24 N ATOM 2881 CA PHE B 78 18.793 -2.172 -0.258 1.00 0.23 C ATOM 2882 C PHE B 78 19.724 -2.826 0.760 1.00 0.21 C ATOM 2883 O PHE B 78 20.285 -3.894 0.500 1.00 0.22 O ATOM 2884 CB PHE B 78 17.332 -2.505 0.065 1.00 0.27 C ATOM 2885 CG PHE B 78 16.732 -1.658 1.156 1.00 0.27 C ATOM 2886 CD1 PHE B 78 16.400 -0.332 0.923 1.00 0.34 C ATOM 2887 CD2 PHE B 78 16.496 -2.191 2.414 1.00 0.33 C ATOM 2888 CE1 PHE B 78 15.846 0.444 1.923 1.00 0.37 C ATOM 2889 CE2 PHE B 78 15.942 -1.418 3.418 1.00 0.37 C ATOM 2890 CZ PHE B 78 15.617 -0.100 3.171 1.00 0.33 C ATOM 0 H PHE B 78 18.781 -3.560 -1.824 1.00 0.24 H new ATOM 0 HA PHE B 78 18.931 -1.092 -0.204 1.00 0.23 H new ATOM 0 HB2 PHE B 78 16.736 -2.388 -0.840 1.00 0.27 H new ATOM 0 HB3 PHE B 78 17.266 -3.553 0.357 1.00 0.27 H new ATOM 0 HD1 PHE B 78 16.576 0.099 -0.051 1.00 0.34 H new ATOM 0 HD2 PHE B 78 16.748 -3.222 2.612 1.00 0.33 H new ATOM 0 HE1 PHE B 78 15.592 1.476 1.728 1.00 0.37 H new ATOM 0 HE2 PHE B 78 15.764 -1.845 4.394 1.00 0.37 H new ATOM 0 HZ PHE B 78 15.184 0.506 3.953 1.00 0.33 H new ATOM 2900 N ARG B 79 19.897 -2.175 1.902 1.00 0.25 N ATOM 2901 CA ARG B 79 20.752 -2.690 2.962 1.00 0.26 C ATOM 2902 C ARG B 79 19.940 -3.538 3.930 1.00 0.26 C ATOM 2903 O ARG B 79 18.983 -3.060 4.536 1.00 0.36 O ATOM 2904 CB ARG B 79 21.413 -1.535 3.719 1.00 0.36 C ATOM 2905 CG ARG B 79 22.556 -1.966 4.623 1.00 0.33 C ATOM 2906 CD ARG B 79 23.119 -0.791 5.411 1.00 0.56 C ATOM 2907 NE ARG B 79 22.439 -0.610 6.692 1.00 1.04 N ATOM 2908 CZ ARG B 79 22.515 0.496 7.438 1.00 1.28 C ATOM 2909 NH1 ARG B 79 23.193 1.554 7.006 1.00 1.06 N ATOM 2910 NH2 ARG B 79 21.895 0.540 8.610 1.00 2.22 N ATOM 0 H ARG B 79 19.453 -1.283 2.119 1.00 0.25 H new ATOM 0 HA ARG B 79 21.527 -3.309 2.510 1.00 0.26 H new ATOM 0 HB2 ARG B 79 21.787 -0.808 2.998 1.00 0.36 H new ATOM 0 HB3 ARG B 79 20.658 -1.028 4.320 1.00 0.36 H new ATOM 0 HG2 ARG B 79 22.206 -2.734 5.313 1.00 0.33 H new ATOM 0 HG3 ARG B 79 23.347 -2.415 4.022 1.00 0.33 H new ATOM 0 HD2 ARG B 79 24.183 -0.949 5.585 1.00 0.56 H new ATOM 0 HD3 ARG B 79 23.025 0.120 4.820 1.00 0.56 H new ATOM 0 HE ARG B 79 21.868 -1.380 7.040 1.00 1.04 H new ATOM 0 HH11 ARG B 79 23.660 1.525 6.099 1.00 1.06 H new ATOM 0 HH12 ARG B 79 23.247 2.395 7.581 1.00 1.06 H new ATOM 0 HH21 ARG B 79 21.364 -0.267 8.937 1.00 2.22 H new ATOM 0 HH22 ARG B 79 21.949 1.381 9.184 1.00 2.22 H new ATOM 2924 N SER B 80 20.316 -4.799 4.056 1.00 0.25 N ATOM 2925 CA SER B 80 19.634 -5.714 4.955 1.00 0.33 C ATOM 2926 C SER B 80 20.184 -5.569 6.375 1.00 0.32 C ATOM 2927 O SER B 80 21.136 -4.822 6.604 1.00 0.32 O ATOM 2928 CB SER B 80 19.801 -7.151 4.460 1.00 0.46 C ATOM 2929 OG SER B 80 18.911 -8.036 5.122 1.00 1.06 O ATOM 0 H SER B 80 21.094 -5.214 3.544 1.00 0.25 H new ATOM 0 HA SER B 80 18.572 -5.470 4.971 1.00 0.33 H new ATOM 0 HB2 SER B 80 19.622 -7.190 3.385 1.00 0.46 H new ATOM 0 HB3 SER B 80 20.828 -7.476 4.624 1.00 0.46 H new ATOM 0 HG SER B 80 19.041 -8.946 4.782 1.00 1.06 H new ATOM 2935 N LYS B 81 19.593 -6.302 7.317 1.00 0.35 N ATOM 2936 CA LYS B 81 20.009 -6.260 8.719 1.00 0.37 C ATOM 2937 C LYS B 81 21.462 -6.714 8.886 1.00 0.40 C ATOM 2938 O LYS B 81 22.114 -6.397 9.880 1.00 0.48 O ATOM 2939 CB LYS B 81 19.078 -7.134 9.565 1.00 0.41 C ATOM 2940 CG LYS B 81 19.241 -6.937 11.064 1.00 0.45 C ATOM 2941 CD LYS B 81 18.996 -5.492 11.470 1.00 0.47 C ATOM 2942 CE LYS B 81 19.338 -5.258 12.933 1.00 0.67 C ATOM 2943 NZ LYS B 81 19.256 -3.819 13.304 1.00 1.69 N ATOM 0 H LYS B 81 18.817 -6.938 7.133 1.00 0.35 H new ATOM 0 HA LYS B 81 19.944 -5.227 9.061 1.00 0.37 H new ATOM 0 HB2 LYS B 81 18.045 -6.919 9.290 1.00 0.41 H new ATOM 0 HB3 LYS B 81 19.261 -8.181 9.324 1.00 0.41 H new ATOM 0 HG2 LYS B 81 18.545 -7.587 11.595 1.00 0.45 H new ATOM 0 HG3 LYS B 81 20.246 -7.234 11.363 1.00 0.45 H new ATOM 0 HD2 LYS B 81 19.596 -4.831 10.845 1.00 0.47 H new ATOM 0 HD3 LYS B 81 17.951 -5.236 11.294 1.00 0.47 H new ATOM 0 HE2 LYS B 81 18.657 -5.833 13.560 1.00 0.67 H new ATOM 0 HE3 LYS B 81 20.344 -5.627 13.133 1.00 0.67 H new ATOM 0 HZ1 LYS B 81 19.278 -3.726 14.340 1.00 1.69 H new ATOM 0 HZ2 LYS B 81 20.063 -3.308 12.893 1.00 1.69 H new ATOM 0 HZ3 LYS B 81 18.369 -3.416 12.939 1.00 1.69 H new ATOM 2957 N ASN B 82 21.967 -7.452 7.908 1.00 0.39 N ATOM 2958 CA ASN B 82 23.345 -7.935 7.948 1.00 0.45 C ATOM 2959 C ASN B 82 24.287 -6.898 7.353 1.00 0.43 C ATOM 2960 O ASN B 82 25.487 -7.141 7.225 1.00 0.50 O ATOM 2961 CB ASN B 82 23.491 -9.243 7.162 1.00 0.53 C ATOM 2962 CG ASN B 82 22.566 -10.339 7.647 1.00 0.95 C ATOM 2963 OD1 ASN B 82 22.183 -10.374 8.815 1.00 1.75 O ATOM 2964 ND2 ASN B 82 22.202 -11.245 6.750 1.00 0.81 N ATOM 0 H ASN B 82 21.446 -7.731 7.077 1.00 0.39 H new ATOM 0 HA ASN B 82 23.602 -8.113 8.992 1.00 0.45 H new ATOM 0 HB2 ASN B 82 23.292 -9.050 6.108 1.00 0.53 H new ATOM 0 HB3 ASN B 82 24.522 -9.589 7.234 1.00 0.53 H new ATOM 0 HD21 ASN B 82 21.581 -12.008 7.019 1.00 0.81 H new ATOM 0 HD22 ASN B 82 22.543 -11.179 5.791 1.00 0.81 H new ATOM 2971 N GLN B 83 23.728 -5.740 6.994 1.00 0.37 N ATOM 2972 CA GLN B 83 24.485 -4.652 6.377 1.00 0.40 C ATOM 2973 C GLN B 83 24.956 -5.068 4.989 1.00 0.37 C ATOM 2974 O GLN B 83 25.921 -4.526 4.447 1.00 0.46 O ATOM 2975 CB GLN B 83 25.667 -4.219 7.251 1.00 0.53 C ATOM 2976 CG GLN B 83 25.313 -3.142 8.268 1.00 0.63 C ATOM 2977 CD GLN B 83 24.167 -3.541 9.183 1.00 0.90 C ATOM 2978 OE1 GLN B 83 23.000 -3.297 8.879 1.00 1.62 O ATOM 2979 NE2 GLN B 83 24.492 -4.154 10.308 1.00 0.87 N ATOM 0 H GLN B 83 22.738 -5.532 7.123 1.00 0.37 H new ATOM 0 HA GLN B 83 23.825 -3.790 6.282 1.00 0.40 H new ATOM 0 HB2 GLN B 83 26.056 -5.090 7.778 1.00 0.53 H new ATOM 0 HB3 GLN B 83 26.467 -3.851 6.609 1.00 0.53 H new ATOM 0 HG2 GLN B 83 26.192 -2.918 8.873 1.00 0.63 H new ATOM 0 HG3 GLN B 83 25.047 -2.226 7.741 1.00 0.63 H new ATOM 0 HE21 GLN B 83 25.472 -4.338 10.524 1.00 0.87 H new ATOM 0 HE22 GLN B 83 23.763 -4.443 10.960 1.00 0.87 H new ATOM 2988 N GLU B 84 24.250 -6.040 4.425 1.00 0.37 N ATOM 2989 CA GLU B 84 24.553 -6.553 3.101 1.00 0.38 C ATOM 2990 C GLU B 84 23.648 -5.886 2.077 1.00 0.31 C ATOM 2991 O GLU B 84 22.589 -5.362 2.429 1.00 0.42 O ATOM 2992 CB GLU B 84 24.364 -8.073 3.063 1.00 0.53 C ATOM 2993 CG GLU B 84 22.943 -8.525 3.366 1.00 1.22 C ATOM 2994 CD GLU B 84 22.758 -10.019 3.205 1.00 2.08 C ATOM 2995 OE1 GLU B 84 22.961 -10.755 4.190 1.00 2.78 O ATOM 2996 OE2 GLU B 84 22.399 -10.464 2.094 1.00 2.45 O ATOM 0 H GLU B 84 23.453 -6.492 4.874 1.00 0.37 H new ATOM 0 HA GLU B 84 25.592 -6.329 2.861 1.00 0.38 H new ATOM 0 HB2 GLU B 84 24.649 -8.440 2.077 1.00 0.53 H new ATOM 0 HB3 GLU B 84 25.042 -8.532 3.783 1.00 0.53 H new ATOM 0 HG2 GLU B 84 22.685 -8.239 4.386 1.00 1.22 H new ATOM 0 HG3 GLU B 84 22.251 -8.004 2.704 1.00 1.22 H new ATOM 3003 N TRP B 85 24.060 -5.906 0.822 1.00 0.32 N ATOM 3004 CA TRP B 85 23.277 -5.294 -0.238 1.00 0.33 C ATOM 3005 C TRP B 85 22.529 -6.357 -1.031 1.00 0.33 C ATOM 3006 O TRP B 85 23.125 -7.329 -1.501 1.00 0.45 O ATOM 3007 CB TRP B 85 24.184 -4.481 -1.167 1.00 0.41 C ATOM 3008 CG TRP B 85 25.061 -3.514 -0.432 1.00 0.42 C ATOM 3009 CD1 TRP B 85 26.409 -3.616 -0.243 1.00 0.66 C ATOM 3010 CD2 TRP B 85 24.652 -2.306 0.221 1.00 0.50 C ATOM 3011 NE1 TRP B 85 26.864 -2.545 0.486 1.00 0.63 N ATOM 3012 CE2 TRP B 85 25.806 -1.727 0.783 1.00 0.50 C ATOM 3013 CE3 TRP B 85 23.425 -1.656 0.385 1.00 0.84 C ATOM 3014 CZ2 TRP B 85 25.767 -0.532 1.497 1.00 0.67 C ATOM 3015 CZ3 TRP B 85 23.389 -0.470 1.093 1.00 1.10 C ATOM 3016 CH2 TRP B 85 24.554 0.081 1.641 1.00 0.97 C ATOM 0 H TRP B 85 24.930 -6.338 0.512 1.00 0.32 H new ATOM 0 HA TRP B 85 22.548 -4.623 0.216 1.00 0.33 H new ATOM 0 HB2 TRP B 85 24.809 -5.163 -1.744 1.00 0.41 H new ATOM 0 HB3 TRP B 85 23.567 -3.934 -1.880 1.00 0.41 H new ATOM 0 HD1 TRP B 85 27.027 -4.421 -0.613 1.00 0.66 H new ATOM 0 HE1 TRP B 85 27.833 -2.384 0.762 1.00 0.63 H new ATOM 0 HE3 TRP B 85 22.521 -2.073 -0.034 1.00 0.84 H new ATOM 0 HZ2 TRP B 85 26.663 -0.105 1.922 1.00 0.67 H new ATOM 0 HZ3 TRP B 85 22.447 0.041 1.226 1.00 1.10 H new ATOM 0 HH2 TRP B 85 24.493 1.010 2.189 1.00 0.97 H new ATOM 3027 N LEU B 86 21.223 -6.179 -1.156 1.00 0.28 N ATOM 3028 CA LEU B 86 20.390 -7.114 -1.896 1.00 0.29 C ATOM 3029 C LEU B 86 19.484 -6.367 -2.863 1.00 0.26 C ATOM 3030 O LEU B 86 19.201 -5.185 -2.671 1.00 0.28 O ATOM 3031 CB LEU B 86 19.557 -7.976 -0.941 1.00 0.34 C ATOM 3032 CG LEU B 86 19.020 -7.272 0.311 1.00 0.42 C ATOM 3033 CD1 LEU B 86 17.780 -6.452 -0.011 1.00 0.96 C ATOM 3034 CD2 LEU B 86 18.714 -8.297 1.391 1.00 1.03 C ATOM 0 H LEU B 86 20.715 -5.392 -0.752 1.00 0.28 H new ATOM 0 HA LEU B 86 21.043 -7.773 -2.468 1.00 0.29 H new ATOM 0 HB2 LEU B 86 18.711 -8.382 -1.495 1.00 0.34 H new ATOM 0 HB3 LEU B 86 20.166 -8.822 -0.624 1.00 0.34 H new ATOM 0 HG LEU B 86 19.786 -6.588 0.676 1.00 0.42 H new ATOM 0 HD11 LEU B 86 17.421 -5.964 0.895 1.00 0.96 H new ATOM 0 HD12 LEU B 86 18.027 -5.696 -0.757 1.00 0.96 H new ATOM 0 HD13 LEU B 86 17.002 -7.107 -0.403 1.00 0.96 H new ATOM 0 HD21 LEU B 86 18.333 -7.789 2.277 1.00 1.03 H new ATOM 0 HD22 LEU B 86 17.965 -8.999 1.025 1.00 1.03 H new ATOM 0 HD23 LEU B 86 19.624 -8.839 1.647 1.00 1.03 H new ATOM 3046 N TRP B 87 19.036 -7.058 -3.898 1.00 0.28 N ATOM 3047 CA TRP B 87 18.162 -6.459 -4.896 1.00 0.29 C ATOM 3048 C TRP B 87 16.779 -6.206 -4.318 1.00 0.29 C ATOM 3049 O TRP B 87 16.144 -7.114 -3.780 1.00 0.39 O ATOM 3050 CB TRP B 87 18.059 -7.359 -6.123 1.00 0.33 C ATOM 3051 CG TRP B 87 19.241 -7.249 -7.032 1.00 0.38 C ATOM 3052 CD1 TRP B 87 20.287 -8.119 -7.122 1.00 0.47 C ATOM 3053 CD2 TRP B 87 19.501 -6.206 -7.975 1.00 0.40 C ATOM 3054 NE1 TRP B 87 21.176 -7.685 -8.073 1.00 0.53 N ATOM 3055 CE2 TRP B 87 20.719 -6.513 -8.609 1.00 0.48 C ATOM 3056 CE3 TRP B 87 18.821 -5.042 -8.349 1.00 0.43 C ATOM 3057 CZ2 TRP B 87 21.270 -5.702 -9.595 1.00 0.53 C ATOM 3058 CZ3 TRP B 87 19.371 -4.235 -9.328 1.00 0.50 C ATOM 3059 CH2 TRP B 87 20.585 -4.570 -9.941 1.00 0.53 C ATOM 0 H TRP B 87 19.263 -8.037 -4.070 1.00 0.28 H new ATOM 0 HA TRP B 87 18.593 -5.504 -5.195 1.00 0.29 H new ATOM 0 HB2 TRP B 87 17.953 -8.394 -5.799 1.00 0.33 H new ATOM 0 HB3 TRP B 87 17.156 -7.104 -6.678 1.00 0.33 H new ATOM 0 HD1 TRP B 87 20.399 -9.017 -6.532 1.00 0.47 H new ATOM 0 HE1 TRP B 87 22.039 -8.160 -8.338 1.00 0.53 H new ATOM 0 HE3 TRP B 87 17.884 -4.779 -7.882 1.00 0.43 H new ATOM 0 HZ2 TRP B 87 22.206 -5.957 -10.071 1.00 0.53 H new ATOM 0 HZ3 TRP B 87 18.857 -3.333 -9.624 1.00 0.50 H new ATOM 0 HH2 TRP B 87 20.989 -3.920 -10.703 1.00 0.53 H new ATOM 3070 N MET B 88 16.320 -4.973 -4.439 1.00 0.31 N ATOM 3071 CA MET B 88 15.020 -4.581 -3.927 1.00 0.39 C ATOM 3072 C MET B 88 14.267 -3.767 -4.970 1.00 0.37 C ATOM 3073 O MET B 88 14.810 -2.817 -5.535 1.00 0.40 O ATOM 3074 CB MET B 88 15.187 -3.760 -2.647 1.00 0.52 C ATOM 3075 CG MET B 88 13.873 -3.343 -2.006 1.00 0.73 C ATOM 3076 SD MET B 88 13.115 -4.667 -1.046 1.00 1.53 S ATOM 3077 CE MET B 88 14.292 -4.831 0.295 1.00 0.91 C ATOM 0 H MET B 88 16.835 -4.219 -4.893 1.00 0.31 H new ATOM 0 HA MET B 88 14.447 -5.480 -3.701 1.00 0.39 H new ATOM 0 HB2 MET B 88 15.763 -4.341 -1.927 1.00 0.52 H new ATOM 0 HB3 MET B 88 15.769 -2.867 -2.874 1.00 0.52 H new ATOM 0 HG2 MET B 88 14.046 -2.484 -1.358 1.00 0.73 H new ATOM 0 HG3 MET B 88 13.180 -3.021 -2.784 1.00 0.73 H new ATOM 0 HE1 MET B 88 13.772 -5.149 1.199 1.00 0.91 H new ATOM 0 HE2 MET B 88 15.045 -5.573 0.029 1.00 0.91 H new ATOM 0 HE3 MET B 88 14.776 -3.871 0.474 1.00 0.91 H new ATOM 3087 N ARG B 89 13.027 -4.151 -5.230 1.00 0.36 N ATOM 3088 CA ARG B 89 12.194 -3.454 -6.196 1.00 0.37 C ATOM 3089 C ARG B 89 11.012 -2.825 -5.474 1.00 0.36 C ATOM 3090 O ARG B 89 9.927 -3.406 -5.398 1.00 0.42 O ATOM 3091 CB ARG B 89 11.711 -4.410 -7.289 1.00 0.44 C ATOM 3092 CG ARG B 89 10.996 -3.716 -8.437 1.00 0.58 C ATOM 3093 CD ARG B 89 9.749 -4.475 -8.854 1.00 0.97 C ATOM 3094 NE ARG B 89 8.813 -4.636 -7.740 1.00 2.01 N ATOM 3095 CZ ARG B 89 7.731 -5.408 -7.784 1.00 2.63 C ATOM 3096 NH1 ARG B 89 7.425 -6.070 -8.891 1.00 2.41 N ATOM 3097 NH2 ARG B 89 6.949 -5.522 -6.717 1.00 3.80 N ATOM 0 H ARG B 89 12.573 -4.947 -4.782 1.00 0.36 H new ATOM 0 HA ARG B 89 12.782 -2.672 -6.677 1.00 0.37 H new ATOM 0 HB2 ARG B 89 12.567 -4.958 -7.684 1.00 0.44 H new ATOM 0 HB3 ARG B 89 11.039 -5.145 -6.845 1.00 0.44 H new ATOM 0 HG2 ARG B 89 10.725 -2.703 -8.139 1.00 0.58 H new ATOM 0 HG3 ARG B 89 11.671 -3.628 -9.288 1.00 0.58 H new ATOM 0 HD2 ARG B 89 9.256 -3.945 -9.669 1.00 0.97 H new ATOM 0 HD3 ARG B 89 10.031 -5.456 -9.236 1.00 0.97 H new ATOM 0 HE ARG B 89 9.002 -4.125 -6.878 1.00 2.01 H new ATOM 0 HH11 ARG B 89 8.021 -5.989 -9.715 1.00 2.41 H new ATOM 0 HH12 ARG B 89 6.594 -6.661 -8.919 1.00 2.41 H new ATOM 0 HH21 ARG B 89 7.178 -5.017 -5.861 1.00 3.80 H new ATOM 0 HH22 ARG B 89 6.120 -6.115 -6.753 1.00 3.80 H new ATOM 3111 N THR B 90 11.239 -1.645 -4.934 1.00 0.33 N ATOM 3112 CA THR B 90 10.223 -0.930 -4.189 1.00 0.34 C ATOM 3113 C THR B 90 9.235 -0.220 -5.109 1.00 0.31 C ATOM 3114 O THR B 90 9.609 0.652 -5.894 1.00 0.34 O ATOM 3115 CB THR B 90 10.880 0.094 -3.253 1.00 0.38 C ATOM 3116 OG1 THR B 90 12.073 -0.469 -2.695 1.00 0.43 O ATOM 3117 CG2 THR B 90 9.937 0.498 -2.135 1.00 0.43 C ATOM 0 H THR B 90 12.131 -1.155 -4.999 1.00 0.33 H new ATOM 0 HA THR B 90 9.669 -1.665 -3.605 1.00 0.34 H new ATOM 0 HB THR B 90 11.123 0.985 -3.833 1.00 0.38 H new ATOM 0 HG1 THR B 90 11.842 -1.023 -1.920 1.00 0.43 H new ATOM 0 HG21 THR B 90 10.430 1.224 -1.488 1.00 0.43 H new ATOM 0 HG22 THR B 90 9.037 0.943 -2.561 1.00 0.43 H new ATOM 0 HG23 THR B 90 9.666 -0.382 -1.552 1.00 0.43 H new ATOM 3125 N SER B 91 7.975 -0.613 -5.014 1.00 0.28 N ATOM 3126 CA SER B 91 6.917 -0.016 -5.810 1.00 0.27 C ATOM 3127 C SER B 91 6.321 1.180 -5.069 1.00 0.23 C ATOM 3128 O SER B 91 5.549 1.016 -4.126 1.00 0.28 O ATOM 3129 CB SER B 91 5.840 -1.063 -6.103 1.00 0.36 C ATOM 3130 OG SER B 91 6.412 -2.230 -6.673 1.00 0.97 O ATOM 0 H SER B 91 7.659 -1.352 -4.386 1.00 0.28 H new ATOM 0 HA SER B 91 7.328 0.335 -6.756 1.00 0.27 H new ATOM 0 HB2 SER B 91 5.318 -1.321 -5.182 1.00 0.36 H new ATOM 0 HB3 SER B 91 5.098 -0.647 -6.784 1.00 0.36 H new ATOM 0 HG SER B 91 5.707 -2.887 -6.851 1.00 0.97 H new ATOM 3136 N SER B 92 6.698 2.379 -5.489 1.00 0.23 N ATOM 3137 CA SER B 92 6.219 3.601 -4.850 1.00 0.28 C ATOM 3138 C SER B 92 4.884 4.054 -5.436 1.00 0.26 C ATOM 3139 O SER B 92 4.677 3.993 -6.644 1.00 0.36 O ATOM 3140 CB SER B 92 7.262 4.709 -5.009 1.00 0.36 C ATOM 3141 OG SER B 92 8.543 4.255 -4.596 1.00 1.27 O ATOM 0 H SER B 92 7.335 2.534 -6.270 1.00 0.23 H new ATOM 0 HA SER B 92 6.064 3.391 -3.792 1.00 0.28 H new ATOM 0 HB2 SER B 92 7.303 5.031 -6.050 1.00 0.36 H new ATOM 0 HB3 SER B 92 6.970 5.577 -4.418 1.00 0.36 H new ATOM 0 HG SER B 92 8.650 4.408 -3.634 1.00 1.27 H new ATOM 3147 N PHE B 93 3.983 4.493 -4.570 1.00 0.25 N ATOM 3148 CA PHE B 93 2.676 4.972 -4.994 1.00 0.27 C ATOM 3149 C PHE B 93 2.358 6.296 -4.301 1.00 0.25 C ATOM 3150 O PHE B 93 2.674 6.480 -3.123 1.00 0.25 O ATOM 3151 CB PHE B 93 1.601 3.932 -4.663 1.00 0.33 C ATOM 3152 CG PHE B 93 0.402 3.980 -5.569 1.00 0.37 C ATOM 3153 CD1 PHE B 93 -0.572 4.954 -5.410 1.00 0.35 C ATOM 3154 CD2 PHE B 93 0.248 3.045 -6.577 1.00 0.47 C ATOM 3155 CE1 PHE B 93 -1.674 4.994 -6.242 1.00 0.41 C ATOM 3156 CE2 PHE B 93 -0.851 3.080 -7.411 1.00 0.54 C ATOM 3157 CZ PHE B 93 -1.813 4.055 -7.245 1.00 0.50 C ATOM 0 H PHE B 93 4.135 4.527 -3.562 1.00 0.25 H new ATOM 0 HA PHE B 93 2.689 5.131 -6.072 1.00 0.27 H new ATOM 0 HB2 PHE B 93 2.044 2.937 -4.716 1.00 0.33 H new ATOM 0 HB3 PHE B 93 1.272 4.080 -3.634 1.00 0.33 H new ATOM 0 HD1 PHE B 93 -0.468 5.690 -4.626 1.00 0.35 H new ATOM 0 HD2 PHE B 93 0.997 2.279 -6.713 1.00 0.47 H new ATOM 0 HE1 PHE B 93 -2.425 5.758 -6.108 1.00 0.41 H new ATOM 0 HE2 PHE B 93 -0.958 2.344 -8.194 1.00 0.54 H new ATOM 0 HZ PHE B 93 -2.673 4.084 -7.898 1.00 0.50 H new ATOM 3167 N THR B 94 1.752 7.215 -5.037 1.00 0.30 N ATOM 3168 CA THR B 94 1.391 8.518 -4.496 1.00 0.31 C ATOM 3169 C THR B 94 0.134 8.429 -3.634 1.00 0.33 C ATOM 3170 O THR B 94 -0.915 7.981 -4.094 1.00 0.37 O ATOM 3171 CB THR B 94 1.149 9.528 -5.632 1.00 0.38 C ATOM 3172 OG1 THR B 94 1.700 9.021 -6.859 1.00 0.59 O ATOM 3173 CG2 THR B 94 1.776 10.875 -5.300 1.00 0.37 C ATOM 0 H THR B 94 1.498 7.082 -6.016 1.00 0.30 H new ATOM 0 HA THR B 94 2.223 8.855 -3.877 1.00 0.31 H new ATOM 0 HB THR B 94 0.074 9.668 -5.748 1.00 0.38 H new ATOM 0 HG1 THR B 94 2.495 9.541 -7.100 1.00 0.59 H new ATOM 0 HG21 THR B 94 1.592 11.573 -6.117 1.00 0.37 H new ATOM 0 HG22 THR B 94 1.335 11.266 -4.383 1.00 0.37 H new ATOM 0 HG23 THR B 94 2.850 10.752 -5.162 1.00 0.37 H new ATOM 3181 N PHE B 95 0.249 8.846 -2.381 1.00 0.35 N ATOM 3182 CA PHE B 95 -0.879 8.823 -1.463 1.00 0.41 C ATOM 3183 C PHE B 95 -1.489 10.218 -1.355 1.00 0.45 C ATOM 3184 O PHE B 95 -1.033 11.050 -0.566 1.00 0.49 O ATOM 3185 CB PHE B 95 -0.428 8.322 -0.088 1.00 0.48 C ATOM 3186 CG PHE B 95 -1.556 7.930 0.822 1.00 0.56 C ATOM 3187 CD1 PHE B 95 -2.191 6.707 0.676 1.00 0.95 C ATOM 3188 CD2 PHE B 95 -1.977 8.783 1.829 1.00 0.91 C ATOM 3189 CE1 PHE B 95 -3.224 6.343 1.516 1.00 1.03 C ATOM 3190 CE2 PHE B 95 -3.010 8.423 2.672 1.00 0.98 C ATOM 3191 CZ PHE B 95 -3.633 7.201 2.516 1.00 0.78 C ATOM 0 H PHE B 95 1.114 9.205 -1.977 1.00 0.35 H new ATOM 0 HA PHE B 95 -1.638 8.141 -1.845 1.00 0.41 H new ATOM 0 HB2 PHE B 95 0.230 7.464 -0.224 1.00 0.48 H new ATOM 0 HB3 PHE B 95 0.161 9.102 0.396 1.00 0.48 H new ATOM 0 HD1 PHE B 95 -1.874 6.031 -0.104 1.00 0.95 H new ATOM 0 HD2 PHE B 95 -1.492 9.740 1.956 1.00 0.91 H new ATOM 0 HE1 PHE B 95 -3.712 5.388 1.391 1.00 1.03 H new ATOM 0 HE2 PHE B 95 -3.330 9.097 3.453 1.00 0.98 H new ATOM 0 HZ PHE B 95 -4.439 6.917 3.176 1.00 0.78 H new ATOM 3201 N GLN B 96 -2.506 10.472 -2.169 1.00 0.51 N ATOM 3202 CA GLN B 96 -3.175 11.769 -2.183 1.00 0.56 C ATOM 3203 C GLN B 96 -4.550 11.693 -1.536 1.00 0.63 C ATOM 3204 O GLN B 96 -4.932 10.670 -0.967 1.00 0.71 O ATOM 3205 CB GLN B 96 -3.346 12.265 -3.619 1.00 0.60 C ATOM 3206 CG GLN B 96 -2.047 12.451 -4.376 1.00 0.74 C ATOM 3207 CD GLN B 96 -2.196 12.097 -5.838 1.00 0.88 C ATOM 3208 OE1 GLN B 96 -1.887 10.983 -6.250 1.00 1.41 O ATOM 3209 NE2 GLN B 96 -2.690 13.036 -6.629 1.00 0.91 N ATOM 0 H GLN B 96 -2.887 9.795 -2.830 1.00 0.51 H new ATOM 0 HA GLN B 96 -2.549 12.459 -1.617 1.00 0.56 H new ATOM 0 HB2 GLN B 96 -3.971 11.557 -4.163 1.00 0.60 H new ATOM 0 HB3 GLN B 96 -3.881 13.214 -3.601 1.00 0.60 H new ATOM 0 HG2 GLN B 96 -1.717 13.486 -4.284 1.00 0.74 H new ATOM 0 HG3 GLN B 96 -1.272 11.829 -3.928 1.00 0.74 H new ATOM 0 HE21 GLN B 96 -2.934 13.949 -6.246 1.00 0.91 H new ATOM 0 HE22 GLN B 96 -2.827 12.846 -7.622 1.00 0.91 H new ATOM 3218 N ASN B 97 -5.289 12.790 -1.642 1.00 0.73 N ATOM 3219 CA ASN B 97 -6.635 12.884 -1.099 1.00 0.91 C ATOM 3220 C ASN B 97 -7.573 13.452 -2.155 1.00 0.97 C ATOM 3221 O ASN B 97 -7.178 14.320 -2.934 1.00 0.97 O ATOM 3222 CB ASN B 97 -6.654 13.774 0.143 1.00 1.06 C ATOM 3223 CG ASN B 97 -6.354 13.008 1.410 1.00 1.43 C ATOM 3224 OD1 ASN B 97 -7.260 12.505 2.070 1.00 1.94 O ATOM 3225 ND2 ASN B 97 -5.082 12.920 1.762 1.00 1.65 N ATOM 0 H ASN B 97 -4.970 13.640 -2.108 1.00 0.73 H new ATOM 0 HA ASN B 97 -6.968 11.886 -0.814 1.00 0.91 H new ATOM 0 HB2 ASN B 97 -5.923 14.573 0.024 1.00 1.06 H new ATOM 0 HB3 ASN B 97 -7.632 14.247 0.232 1.00 1.06 H new ATOM 0 HD21 ASN B 97 -4.821 12.419 2.611 1.00 1.65 H new ATOM 0 HD22 ASN B 97 -4.362 13.353 1.184 1.00 1.65 H new ATOM 3232 N PRO B 98 -8.831 12.994 -2.186 1.00 1.12 N ATOM 3233 CA PRO B 98 -9.817 13.451 -3.164 1.00 1.28 C ATOM 3234 C PRO B 98 -10.480 14.765 -2.758 1.00 1.35 C ATOM 3235 O PRO B 98 -11.657 14.989 -3.032 1.00 1.41 O ATOM 3236 CB PRO B 98 -10.835 12.315 -3.163 1.00 1.50 C ATOM 3237 CG PRO B 98 -10.806 11.789 -1.769 1.00 1.51 C ATOM 3238 CD PRO B 98 -9.402 11.998 -1.260 1.00 1.26 C ATOM 0 HA PRO B 98 -9.372 13.656 -4.138 1.00 1.28 H new ATOM 0 HB2 PRO B 98 -11.829 12.673 -3.432 1.00 1.50 H new ATOM 0 HB3 PRO B 98 -10.568 11.543 -3.884 1.00 1.50 H new ATOM 0 HG2 PRO B 98 -11.528 12.313 -1.142 1.00 1.51 H new ATOM 0 HG3 PRO B 98 -11.073 10.732 -1.748 1.00 1.51 H new ATOM 0 HD2 PRO B 98 -9.400 12.361 -0.232 1.00 1.26 H new ATOM 0 HD3 PRO B 98 -8.831 11.070 -1.271 1.00 1.26 H new ATOM 3246 N TYR B 99 -9.717 15.633 -2.111 1.00 1.39 N ATOM 3247 CA TYR B 99 -10.241 16.913 -1.668 1.00 1.52 C ATOM 3248 C TYR B 99 -9.579 18.049 -2.432 1.00 1.54 C ATOM 3249 O TYR B 99 -10.179 18.638 -3.332 1.00 1.80 O ATOM 3250 CB TYR B 99 -10.023 17.100 -0.165 1.00 1.68 C ATOM 3251 CG TYR B 99 -10.473 15.924 0.673 1.00 1.87 C ATOM 3252 CD1 TYR B 99 -11.780 15.455 0.608 1.00 2.26 C ATOM 3253 CD2 TYR B 99 -9.587 15.281 1.525 1.00 1.83 C ATOM 3254 CE1 TYR B 99 -12.190 14.378 1.372 1.00 2.61 C ATOM 3255 CE2 TYR B 99 -9.988 14.204 2.289 1.00 2.10 C ATOM 3256 CZ TYR B 99 -11.288 13.756 2.210 1.00 2.50 C ATOM 3257 OH TYR B 99 -11.687 12.677 2.969 1.00 2.90 O ATOM 0 H TYR B 99 -8.736 15.474 -1.882 1.00 1.39 H new ATOM 0 HA TYR B 99 -11.312 16.927 -1.868 1.00 1.52 H new ATOM 0 HB2 TYR B 99 -8.964 17.279 0.018 1.00 1.68 H new ATOM 0 HB3 TYR B 99 -10.559 17.992 0.161 1.00 1.68 H new ATOM 0 HD1 TYR B 99 -12.486 15.940 -0.050 1.00 2.26 H new ATOM 0 HD2 TYR B 99 -8.567 15.629 1.591 1.00 1.83 H new ATOM 0 HE1 TYR B 99 -13.209 14.026 1.313 1.00 2.61 H new ATOM 0 HE2 TYR B 99 -9.285 13.714 2.946 1.00 2.10 H new ATOM 0 HH TYR B 99 -10.945 12.385 3.539 1.00 2.90 H new ATOM 3267 N SER B 100 -8.330 18.335 -2.095 1.00 1.37 N ATOM 3268 CA SER B 100 -7.593 19.407 -2.743 1.00 1.42 C ATOM 3269 C SER B 100 -6.332 18.871 -3.413 1.00 1.24 C ATOM 3270 O SER B 100 -5.419 19.635 -3.739 1.00 1.29 O ATOM 3271 CB SER B 100 -7.229 20.486 -1.719 1.00 1.52 C ATOM 3272 OG SER B 100 -7.752 20.172 -0.434 1.00 2.27 O ATOM 0 H SER B 100 -7.806 17.838 -1.375 1.00 1.37 H new ATOM 0 HA SER B 100 -8.228 19.845 -3.513 1.00 1.42 H new ATOM 0 HB2 SER B 100 -6.145 20.584 -1.660 1.00 1.52 H new ATOM 0 HB3 SER B 100 -7.619 21.449 -2.048 1.00 1.52 H new ATOM 0 HG SER B 100 -7.276 19.397 -0.068 1.00 2.27 H new ATOM 3278 N ASP B 101 -6.294 17.553 -3.614 1.00 1.08 N ATOM 3279 CA ASP B 101 -5.151 16.890 -4.240 1.00 0.96 C ATOM 3280 C ASP B 101 -3.906 17.069 -3.372 1.00 0.87 C ATOM 3281 O ASP B 101 -2.824 17.418 -3.847 1.00 0.91 O ATOM 3282 CB ASP B 101 -4.928 17.428 -5.660 1.00 1.15 C ATOM 3283 CG ASP B 101 -3.785 16.748 -6.387 1.00 1.33 C ATOM 3284 OD1 ASP B 101 -3.684 15.508 -6.316 1.00 1.27 O ATOM 3285 OD2 ASP B 101 -2.986 17.461 -7.038 1.00 2.06 O ATOM 0 H ASP B 101 -7.049 16.920 -3.350 1.00 1.08 H new ATOM 0 HA ASP B 101 -5.357 15.823 -4.322 1.00 0.96 H new ATOM 0 HB2 ASP B 101 -5.844 17.300 -6.237 1.00 1.15 H new ATOM 0 HB3 ASP B 101 -4.731 18.499 -5.608 1.00 1.15 H new ATOM 3290 N GLU B 102 -4.083 16.853 -2.081 1.00 0.88 N ATOM 3291 CA GLU B 102 -2.992 16.980 -1.133 1.00 0.85 C ATOM 3292 C GLU B 102 -2.296 15.638 -0.934 1.00 0.72 C ATOM 3293 O GLU B 102 -2.940 14.628 -0.637 1.00 0.72 O ATOM 3294 CB GLU B 102 -3.495 17.528 0.212 1.00 1.03 C ATOM 3295 CG GLU B 102 -4.703 16.792 0.782 1.00 1.30 C ATOM 3296 CD GLU B 102 -6.018 17.340 0.268 1.00 1.72 C ATOM 3297 OE1 GLU B 102 -6.552 18.287 0.879 1.00 2.51 O ATOM 3298 OE2 GLU B 102 -6.524 16.831 -0.752 1.00 1.82 O ATOM 0 H GLU B 102 -4.975 16.588 -1.664 1.00 0.88 H new ATOM 0 HA GLU B 102 -2.271 17.688 -1.541 1.00 0.85 H new ATOM 0 HB2 GLU B 102 -2.682 17.481 0.936 1.00 1.03 H new ATOM 0 HB3 GLU B 102 -3.751 18.580 0.088 1.00 1.03 H new ATOM 0 HG2 GLU B 102 -4.631 15.734 0.529 1.00 1.30 H new ATOM 0 HG3 GLU B 102 -4.686 16.861 1.870 1.00 1.30 H new ATOM 3305 N ILE B 103 -0.986 15.632 -1.126 1.00 0.68 N ATOM 3306 CA ILE B 103 -0.190 14.429 -0.960 1.00 0.59 C ATOM 3307 C ILE B 103 0.316 14.352 0.471 1.00 0.61 C ATOM 3308 O ILE B 103 1.083 15.208 0.914 1.00 0.74 O ATOM 3309 CB ILE B 103 1.010 14.403 -1.933 1.00 0.62 C ATOM 3310 CG1 ILE B 103 0.535 14.637 -3.371 1.00 0.67 C ATOM 3311 CG2 ILE B 103 1.756 13.080 -1.822 1.00 0.56 C ATOM 3312 CD1 ILE B 103 1.661 14.773 -4.373 1.00 0.99 C ATOM 0 H ILE B 103 -0.449 16.455 -1.399 1.00 0.68 H new ATOM 0 HA ILE B 103 -0.823 13.570 -1.183 1.00 0.59 H new ATOM 0 HB ILE B 103 1.695 15.206 -1.662 1.00 0.62 H new ATOM 0 HG12 ILE B 103 -0.107 13.809 -3.671 1.00 0.67 H new ATOM 0 HG13 ILE B 103 -0.075 15.540 -3.400 1.00 0.67 H new ATOM 0 HG21 ILE B 103 2.598 13.078 -2.514 1.00 0.56 H new ATOM 0 HG22 ILE B 103 2.123 12.953 -0.803 1.00 0.56 H new ATOM 0 HG23 ILE B 103 1.082 12.260 -2.069 1.00 0.56 H new ATOM 0 HD11 ILE B 103 1.245 14.936 -5.367 1.00 0.99 H new ATOM 0 HD12 ILE B 103 2.291 15.619 -4.100 1.00 0.99 H new ATOM 0 HD13 ILE B 103 2.259 13.861 -4.375 1.00 0.99 H new ATOM 3324 N GLU B 104 -0.125 13.338 1.196 1.00 0.54 N ATOM 3325 CA GLU B 104 0.273 13.169 2.584 1.00 0.59 C ATOM 3326 C GLU B 104 1.641 12.507 2.690 1.00 0.51 C ATOM 3327 O GLU B 104 2.540 13.024 3.355 1.00 0.56 O ATOM 3328 CB GLU B 104 -0.778 12.355 3.337 1.00 0.69 C ATOM 3329 CG GLU B 104 -2.173 12.948 3.233 1.00 0.85 C ATOM 3330 CD GLU B 104 -3.113 12.441 4.304 1.00 1.06 C ATOM 3331 OE1 GLU B 104 -2.872 12.727 5.494 1.00 1.44 O ATOM 3332 OE2 GLU B 104 -4.103 11.763 3.966 1.00 1.33 O ATOM 0 H GLU B 104 -0.759 12.619 0.847 1.00 0.54 H new ATOM 0 HA GLU B 104 0.347 14.157 3.039 1.00 0.59 H new ATOM 0 HB2 GLU B 104 -0.791 11.338 2.945 1.00 0.69 H new ATOM 0 HB3 GLU B 104 -0.495 12.289 4.387 1.00 0.69 H new ATOM 0 HG2 GLU B 104 -2.106 14.034 3.301 1.00 0.85 H new ATOM 0 HG3 GLU B 104 -2.589 12.715 2.253 1.00 0.85 H new ATOM 3339 N TYR B 105 1.800 11.371 2.026 1.00 0.42 N ATOM 3340 CA TYR B 105 3.061 10.646 2.050 1.00 0.40 C ATOM 3341 C TYR B 105 3.155 9.714 0.848 1.00 0.33 C ATOM 3342 O TYR B 105 2.316 9.768 -0.053 1.00 0.37 O ATOM 3343 CB TYR B 105 3.221 9.868 3.369 1.00 0.46 C ATOM 3344 CG TYR B 105 2.129 8.856 3.656 1.00 0.47 C ATOM 3345 CD1 TYR B 105 2.241 7.543 3.217 1.00 0.59 C ATOM 3346 CD2 TYR B 105 0.996 9.211 4.380 1.00 0.45 C ATOM 3347 CE1 TYR B 105 1.255 6.615 3.487 1.00 0.67 C ATOM 3348 CE2 TYR B 105 0.008 8.286 4.655 1.00 0.55 C ATOM 3349 CZ TYR B 105 0.142 6.989 4.205 1.00 0.65 C ATOM 3350 OH TYR B 105 -0.839 6.063 4.476 1.00 0.77 O ATOM 0 H TYR B 105 1.071 10.932 1.464 1.00 0.42 H new ATOM 0 HA TYR B 105 3.877 11.366 1.990 1.00 0.40 H new ATOM 0 HB2 TYR B 105 4.180 9.350 3.353 1.00 0.46 H new ATOM 0 HB3 TYR B 105 3.258 10.582 4.192 1.00 0.46 H new ATOM 0 HD1 TYR B 105 3.113 7.243 2.655 1.00 0.59 H new ATOM 0 HD2 TYR B 105 0.887 10.226 4.733 1.00 0.45 H new ATOM 0 HE1 TYR B 105 1.357 5.599 3.136 1.00 0.67 H new ATOM 0 HE2 TYR B 105 -0.865 8.577 5.220 1.00 0.55 H new ATOM 0 HH TYR B 105 -1.642 6.275 3.955 1.00 0.77 H new ATOM 3360 N ILE B 106 4.175 8.869 0.832 1.00 0.26 N ATOM 3361 CA ILE B 106 4.371 7.937 -0.267 1.00 0.25 C ATOM 3362 C ILE B 106 4.346 6.497 0.236 1.00 0.26 C ATOM 3363 O ILE B 106 5.125 6.118 1.115 1.00 0.28 O ATOM 3364 CB ILE B 106 5.709 8.193 -0.998 1.00 0.26 C ATOM 3365 CG1 ILE B 106 5.849 9.671 -1.371 1.00 0.31 C ATOM 3366 CG2 ILE B 106 5.812 7.323 -2.241 1.00 0.30 C ATOM 3367 CD1 ILE B 106 7.230 10.044 -1.869 1.00 0.36 C ATOM 0 H ILE B 106 4.879 8.810 1.568 1.00 0.26 H new ATOM 0 HA ILE B 106 3.552 8.095 -0.969 1.00 0.25 H new ATOM 0 HB ILE B 106 6.522 7.931 -0.321 1.00 0.26 H new ATOM 0 HG12 ILE B 106 5.117 9.913 -2.141 1.00 0.31 H new ATOM 0 HG13 ILE B 106 5.609 10.281 -0.500 1.00 0.31 H new ATOM 0 HG21 ILE B 106 6.760 7.516 -2.743 1.00 0.30 H new ATOM 0 HG22 ILE B 106 5.760 6.272 -1.955 1.00 0.30 H new ATOM 0 HG23 ILE B 106 4.989 7.556 -2.917 1.00 0.30 H new ATOM 0 HD11 ILE B 106 7.254 11.106 -2.114 1.00 0.36 H new ATOM 0 HD12 ILE B 106 7.966 9.834 -1.093 1.00 0.36 H new ATOM 0 HD13 ILE B 106 7.466 9.461 -2.759 1.00 0.36 H new ATOM 3379 N ILE B 107 3.441 5.704 -0.319 1.00 0.29 N ATOM 3380 CA ILE B 107 3.316 4.302 0.050 1.00 0.34 C ATOM 3381 C ILE B 107 4.165 3.458 -0.886 1.00 0.40 C ATOM 3382 O ILE B 107 3.845 3.312 -2.063 1.00 0.52 O ATOM 3383 CB ILE B 107 1.851 3.812 -0.010 1.00 0.44 C ATOM 3384 CG1 ILE B 107 1.038 4.652 -1.002 1.00 0.46 C ATOM 3385 CG2 ILE B 107 1.220 3.856 1.372 1.00 0.53 C ATOM 3386 CD1 ILE B 107 -0.320 4.069 -1.328 1.00 0.79 C ATOM 0 H ILE B 107 2.778 6.011 -1.031 1.00 0.29 H new ATOM 0 HA ILE B 107 3.659 4.199 1.079 1.00 0.34 H new ATOM 0 HB ILE B 107 1.848 2.779 -0.358 1.00 0.44 H new ATOM 0 HG12 ILE B 107 0.904 5.653 -0.592 1.00 0.46 H new ATOM 0 HG13 ILE B 107 1.608 4.759 -1.925 1.00 0.46 H new ATOM 0 HG21 ILE B 107 0.189 3.508 1.312 1.00 0.53 H new ATOM 0 HG22 ILE B 107 1.782 3.212 2.049 1.00 0.53 H new ATOM 0 HG23 ILE B 107 1.236 4.879 1.747 1.00 0.53 H new ATOM 0 HD11 ILE B 107 -0.835 4.719 -2.035 1.00 0.79 H new ATOM 0 HD12 ILE B 107 -0.195 3.080 -1.769 1.00 0.79 H new ATOM 0 HD13 ILE B 107 -0.910 3.987 -0.415 1.00 0.79 H new ATOM 3398 N CYS B 108 5.255 2.921 -0.372 1.00 0.39 N ATOM 3399 CA CYS B 108 6.148 2.118 -1.187 1.00 0.47 C ATOM 3400 C CYS B 108 6.124 0.654 -0.776 1.00 0.37 C ATOM 3401 O CYS B 108 6.386 0.319 0.379 1.00 0.43 O ATOM 3402 CB CYS B 108 7.573 2.657 -1.087 1.00 0.61 C ATOM 3403 SG CYS B 108 7.756 4.372 -1.625 1.00 1.55 S ATOM 0 H CYS B 108 5.543 3.025 0.601 1.00 0.39 H new ATOM 0 HA CYS B 108 5.801 2.183 -2.218 1.00 0.47 H new ATOM 0 HB2 CYS B 108 7.909 2.575 -0.053 1.00 0.61 H new ATOM 0 HB3 CYS B 108 8.230 2.028 -1.687 1.00 0.61 H new ATOM 0 HG CYS B 108 8.271 5.077 -0.661 1.00 1.55 H new ATOM 3409 N THR B 109 5.793 -0.209 -1.722 1.00 0.32 N ATOM 3410 CA THR B 109 5.766 -1.636 -1.473 1.00 0.29 C ATOM 3411 C THR B 109 7.158 -2.219 -1.672 1.00 0.26 C ATOM 3412 O THR B 109 7.601 -2.431 -2.802 1.00 0.27 O ATOM 3413 CB THR B 109 4.774 -2.355 -2.401 1.00 0.39 C ATOM 3414 OG1 THR B 109 3.650 -1.507 -2.659 1.00 0.48 O ATOM 3415 CG2 THR B 109 4.297 -3.653 -1.769 1.00 0.49 C ATOM 0 H THR B 109 5.539 0.058 -2.673 1.00 0.32 H new ATOM 0 HA THR B 109 5.440 -1.788 -0.444 1.00 0.29 H new ATOM 0 HB THR B 109 5.280 -2.586 -3.338 1.00 0.39 H new ATOM 0 HG1 THR B 109 3.232 -1.767 -3.506 1.00 0.48 H new ATOM 0 HG21 THR B 109 3.595 -4.148 -2.440 1.00 0.49 H new ATOM 0 HG22 THR B 109 5.151 -4.306 -1.591 1.00 0.49 H new ATOM 0 HG23 THR B 109 3.802 -3.436 -0.822 1.00 0.49 H new ATOM 3423 N ASN B 110 7.849 -2.448 -0.570 1.00 0.35 N ATOM 3424 CA ASN B 110 9.194 -2.994 -0.608 1.00 0.40 C ATOM 3425 C ASN B 110 9.154 -4.467 -0.979 1.00 0.45 C ATOM 3426 O ASN B 110 8.760 -5.309 -0.172 1.00 0.57 O ATOM 3427 CB ASN B 110 9.882 -2.808 0.748 1.00 0.53 C ATOM 3428 CG ASN B 110 10.961 -1.744 0.715 1.00 1.18 C ATOM 3429 OD1 ASN B 110 11.670 -1.592 -0.277 1.00 1.84 O ATOM 3430 ND2 ASN B 110 11.078 -0.984 1.793 1.00 1.84 N ATOM 0 H ASN B 110 7.498 -2.263 0.369 1.00 0.35 H new ATOM 0 HA ASN B 110 9.766 -2.458 -1.366 1.00 0.40 H new ATOM 0 HB2 ASN B 110 9.136 -2.540 1.496 1.00 0.53 H new ATOM 0 HB3 ASN B 110 10.321 -3.755 1.061 1.00 0.53 H new ATOM 0 HD21 ASN B 110 11.776 -0.241 1.820 1.00 1.84 H new ATOM 0 HD22 ASN B 110 10.470 -1.142 2.597 1.00 1.84 H new ATOM 3437 N THR B 111 9.528 -4.769 -2.213 1.00 0.39 N ATOM 3438 CA THR B 111 9.540 -6.140 -2.687 1.00 0.41 C ATOM 3439 C THR B 111 10.967 -6.587 -2.972 1.00 0.38 C ATOM 3440 O THR B 111 11.588 -6.141 -3.938 1.00 0.43 O ATOM 3441 CB THR B 111 8.686 -6.305 -3.957 1.00 0.45 C ATOM 3442 OG1 THR B 111 7.751 -5.221 -4.063 1.00 0.50 O ATOM 3443 CG2 THR B 111 7.931 -7.626 -3.929 1.00 0.52 C ATOM 0 H THR B 111 9.827 -4.080 -2.903 1.00 0.39 H new ATOM 0 HA THR B 111 9.111 -6.763 -1.902 1.00 0.41 H new ATOM 0 HB THR B 111 9.351 -6.299 -4.821 1.00 0.45 H new ATOM 0 HG1 THR B 111 8.210 -4.425 -4.404 1.00 0.50 H new ATOM 0 HG21 THR B 111 7.334 -7.723 -4.836 1.00 0.52 H new ATOM 0 HG22 THR B 111 8.642 -8.450 -3.873 1.00 0.52 H new ATOM 0 HG23 THR B 111 7.276 -7.652 -3.058 1.00 0.52 H new ATOM 3451 N ASN B 112 11.481 -7.456 -2.117 1.00 0.36 N ATOM 3452 CA ASN B 112 12.841 -7.961 -2.258 1.00 0.36 C ATOM 3453 C ASN B 112 12.958 -8.900 -3.455 1.00 0.34 C ATOM 3454 O ASN B 112 12.179 -9.845 -3.602 1.00 0.37 O ATOM 3455 CB ASN B 112 13.279 -8.668 -0.970 1.00 0.45 C ATOM 3456 CG ASN B 112 14.491 -9.555 -1.173 1.00 0.39 C ATOM 3457 OD1 ASN B 112 15.621 -9.078 -1.247 1.00 0.71 O ATOM 3458 ND2 ASN B 112 14.264 -10.856 -1.250 1.00 0.42 N ATOM 0 H ASN B 112 10.976 -7.829 -1.313 1.00 0.36 H new ATOM 0 HA ASN B 112 13.503 -7.114 -2.435 1.00 0.36 H new ATOM 0 HB2 ASN B 112 13.504 -7.921 -0.209 1.00 0.45 H new ATOM 0 HB3 ASN B 112 12.453 -9.270 -0.592 1.00 0.45 H new ATOM 0 HD21 ASN B 112 15.043 -11.503 -1.375 1.00 0.42 H new ATOM 0 HD22 ASN B 112 13.310 -11.212 -1.184 1.00 0.42 H new ATOM 3465 N VAL B 113 13.938 -8.630 -4.305 1.00 0.36 N ATOM 3466 CA VAL B 113 14.170 -9.432 -5.499 1.00 0.44 C ATOM 3467 C VAL B 113 15.226 -10.500 -5.235 1.00 0.50 C ATOM 3468 O VAL B 113 15.252 -11.537 -5.896 1.00 0.78 O ATOM 3469 CB VAL B 113 14.633 -8.555 -6.683 1.00 0.52 C ATOM 3470 CG1 VAL B 113 14.534 -9.315 -7.997 1.00 0.98 C ATOM 3471 CG2 VAL B 113 13.823 -7.270 -6.747 1.00 0.83 C ATOM 0 H VAL B 113 14.591 -7.855 -4.189 1.00 0.36 H new ATOM 0 HA VAL B 113 13.223 -9.907 -5.756 1.00 0.44 H new ATOM 0 HB VAL B 113 15.679 -8.296 -6.521 1.00 0.52 H new ATOM 0 HG11 VAL B 113 14.866 -8.674 -8.814 1.00 0.98 H new ATOM 0 HG12 VAL B 113 15.165 -10.203 -7.952 1.00 0.98 H new ATOM 0 HG13 VAL B 113 13.500 -9.614 -8.168 1.00 0.98 H new ATOM 0 HG21 VAL B 113 14.165 -6.666 -7.588 1.00 0.83 H new ATOM 0 HG22 VAL B 113 12.768 -7.511 -6.878 1.00 0.83 H new ATOM 0 HG23 VAL B 113 13.955 -6.710 -5.821 1.00 0.83 H new ATOM 3481 N LYS B 114 16.085 -10.244 -4.258 1.00 0.66 N ATOM 3482 CA LYS B 114 17.148 -11.177 -3.912 1.00 0.80 C ATOM 3483 C LYS B 114 16.568 -12.504 -3.438 1.00 0.96 C ATOM 3484 O LYS B 114 16.043 -12.557 -2.306 1.00 1.54 O ATOM 3485 CB LYS B 114 18.046 -10.590 -2.824 1.00 1.37 C ATOM 3486 CG LYS B 114 19.265 -11.447 -2.521 1.00 1.56 C ATOM 3487 CD LYS B 114 19.542 -11.523 -1.029 1.00 2.38 C ATOM 3488 CE LYS B 114 19.020 -12.818 -0.430 1.00 2.81 C ATOM 3489 NZ LYS B 114 17.568 -12.755 -0.117 1.00 3.21 N ATOM 3490 OXT LYS B 114 16.640 -13.488 -4.195 1.00 0.67 O ATOM 0 H LYS B 114 16.066 -9.397 -3.690 1.00 0.66 H new ATOM 0 HA LYS B 114 17.744 -11.353 -4.807 1.00 0.80 H new ATOM 0 HB2 LYS B 114 18.376 -9.598 -3.132 1.00 1.37 H new ATOM 0 HB3 LYS B 114 17.464 -10.464 -1.911 1.00 1.37 H new ATOM 0 HG2 LYS B 114 19.110 -12.452 -2.914 1.00 1.56 H new ATOM 0 HG3 LYS B 114 20.135 -11.035 -3.032 1.00 1.56 H new ATOM 0 HD2 LYS B 114 20.615 -11.446 -0.853 1.00 2.38 H new ATOM 0 HD3 LYS B 114 19.075 -10.675 -0.528 1.00 2.38 H new ATOM 0 HE2 LYS B 114 19.203 -13.637 -1.126 1.00 2.81 H new ATOM 0 HE3 LYS B 114 19.575 -13.043 0.480 1.00 2.81 H new ATOM 0 HZ1 LYS B 114 17.296 -13.590 0.440 1.00 3.21 H new ATOM 0 HZ2 LYS B 114 17.368 -11.894 0.430 1.00 3.21 H new ATOM 0 HZ3 LYS B 114 17.022 -12.737 -1.002 1.00 3.21 H new TER 3504 LYS B 114