USER MOD reduce.3.24.130724 H: found=0, std=0, add=1141, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1140 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 71 ASN : amide:sc= 0 X(o=-0.8,f=-0.8) USER MOD Set 1.2: B 128 GLN : amide:sc= -0.0577 K(o=-0.8,f=-1.7) USER MOD Set 1.3: B 130 GLN : amide:sc= -0.747 K(o=-0.8,f=-4.9!) USER MOD Set 2.1: B 83 GLN : amide:sc= -1.1 X(o=0.34,f=-0.014) USER MOD Set 2.2: B 98 ASN : amide:sc= 0.201 X(o=0.34,f=-0.014) USER MOD Set 2.3: B 102 LYS NZ :NH3+ -174:sc= 1.24 (180deg=1.05) USER MOD Set 3.1: B 70 ASN : amide:sc= -0.881 K(o=-0.93,f=-6.7!) USER MOD Set 3.2: B 103 ASN : amide:sc= -0.0473 X(o=-0.93,f=-0.94) USER MOD Set 4.1: A 62 GLN : amide:sc= -1.94 K(o=-3.5,f=-7.7!) USER MOD Set 4.2: A 64 GLN : amide:sc= -1.54 K(o=-3.5,f=-7.2!) USER MOD Set 5.1: A 40 ASN : amide:sc= -0.0458 X(o=-0.039,f=0.0071) USER MOD Set 5.2: A 42 SER OG : rot 180:sc= 0.00714 USER MOD Set 6.1: A 4 ASN : amide:sc= -0.926! C(o=-0.86!,f=-13!) USER MOD Set 6.2: A 37 ASN : amide:sc= 0.0655 K(o=-0.86,f=-4.8!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -109:sc= 0.869 (180deg=-0.0542) USER MOD Single : A 5 ASN : amide:sc= 0.686 K(o=0.69,f=-0.064) USER MOD Single : A 7 LYS NZ :NH3+ 153:sc= 0.0383 (180deg=-2.44!) USER MOD Single : A 12 LYS NZ :NH3+ 168:sc= 1.28 (180deg=1.19) USER MOD Single : A 13 LYS NZ :NH3+ 174:sc= 1.13 (180deg=1.1) USER MOD Single : A 14 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0249) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 18 SER OG : rot 180:sc= 0.025 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -0.632 K(o=-0.63,f=-1.5) USER MOD Single : A 30 THR OG1 : rot -160:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.043 X(o=-0.043,f=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -0.973 K(o=-0.97,f=-4.6!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -0.0973 K(o=-0.097,f=-2.2!) USER MOD Single : A 55 THR OG1 : rot 3:sc= 0.735 USER MOD Single : B 67 MET CE :methyl 175:sc= 0 (180deg=-0.034) USER MOD Single : B 73 LYS NZ :NH3+ -171:sc= -0.0161 (180deg=-0.161) USER MOD Single : B 78 LYS NZ :NH3+ 137:sc= 1.17 (180deg=-0.379) USER MOD Single : B 79 LYS NZ :NH3+ -171:sc=-0.00281 (180deg=-0.08) USER MOD Single : B 80 LYS NZ :NH3+ -162:sc= -0.0647 (180deg=-0.43) USER MOD Single : B 82 SER OG : rot 180:sc= 0 USER MOD Single : B 84 SER OG : rot 180:sc= 0 USER MOD Single : B 93 SER OG : rot 180:sc= 0 USER MOD Single : B 95 GLN :FLIP amide:sc= 0 F(o=-0.62,f=0) USER MOD Single : B 96 THR OG1 : rot -160:sc= -1.39 USER MOD Single : B 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 105 TYR OH : rot 180:sc= 0 USER MOD Single : B 106 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 108 SER OG : rot 51:sc= 0.455 USER MOD Single : B 110 GLN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD Single : B 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 117 TYR OH : rot 180:sc= 0 USER MOD Single : B 118 TYR OH : rot 29:sc= 0.889 USER MOD Single : B 120 ASN : amide:sc=-0.00156 K(o=-0.0016,f=-0.8) USER MOD Single : B 121 THR OG1 : rot -160:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.167 -5.476 6.245 1.00 4.52 N ATOM 2 CA MET A 1 12.247 -6.558 6.602 1.00 15.43 C ATOM 3 C MET A 1 10.824 -6.060 6.702 1.00 54.41 C ATOM 4 O MET A 1 10.572 -4.856 6.788 1.00 33.23 O ATOM 5 CB MET A 1 12.642 -7.262 7.915 1.00 32.24 C ATOM 6 CG MET A 1 13.904 -8.104 7.837 1.00 0.23 C ATOM 7 SD MET A 1 14.202 -9.042 9.354 1.00 54.32 S ATOM 8 CE MET A 1 15.702 -9.920 8.920 1.00 74.51 C ATOM 0 H1 MET A 1 13.501 -5.612 5.269 1.00 4.52 H new ATOM 0 H2 MET A 1 12.674 -4.563 6.319 1.00 4.52 H new ATOM 0 H3 MET A 1 13.980 -5.484 6.893 1.00 4.52 H new ATOM 0 HA MET A 1 12.315 -7.289 5.796 1.00 15.43 H new ATOM 0 HB2 MET A 1 12.775 -6.506 8.689 1.00 32.24 H new ATOM 0 HB3 MET A 1 11.816 -7.900 8.230 1.00 32.24 H new ATOM 0 HG2 MET A 1 13.826 -8.793 6.996 1.00 0.23 H new ATOM 0 HG3 MET A 1 14.758 -7.456 7.640 1.00 0.23 H new ATOM 0 HE1 MET A 1 16.014 -10.544 9.758 1.00 74.51 H new ATOM 0 HE2 MET A 1 15.517 -10.548 8.049 1.00 74.51 H new ATOM 0 HE3 MET A 1 16.490 -9.203 8.689 1.00 74.51 H new ATOM 20 N ILE A 2 9.905 -6.992 6.666 1.00 22.43 N ATOM 21 CA ILE A 2 8.492 -6.716 6.753 1.00 32.41 C ATOM 22 C ILE A 2 7.908 -7.520 7.910 1.00 45.13 C ATOM 23 O ILE A 2 8.176 -8.727 8.039 1.00 32.11 O ATOM 24 CB ILE A 2 7.746 -7.085 5.422 1.00 73.54 C ATOM 25 CG1 ILE A 2 8.303 -6.281 4.222 1.00 72.41 C ATOM 26 CG2 ILE A 2 6.229 -6.887 5.543 1.00 51.03 C ATOM 27 CD1 ILE A 2 8.151 -4.771 4.341 1.00 54.01 C ATOM 0 H ILE A 2 10.122 -7.984 6.574 1.00 22.43 H new ATOM 0 HA ILE A 2 8.356 -5.648 6.921 1.00 32.41 H new ATOM 0 HB ILE A 2 7.930 -8.144 5.240 1.00 73.54 H new ATOM 0 HG12 ILE A 2 9.360 -6.518 4.103 1.00 72.41 H new ATOM 0 HG13 ILE A 2 7.798 -6.613 3.315 1.00 72.41 H new ATOM 0 HG21 ILE A 2 5.751 -7.154 4.600 1.00 51.03 H new ATOM 0 HG22 ILE A 2 5.841 -7.523 6.339 1.00 51.03 H new ATOM 0 HG23 ILE A 2 6.016 -5.844 5.776 1.00 51.03 H new ATOM 0 HD11 ILE A 2 8.569 -4.292 3.455 1.00 54.01 H new ATOM 0 HD12 ILE A 2 7.094 -4.517 4.426 1.00 54.01 H new ATOM 0 HD13 ILE A 2 8.681 -4.421 5.227 1.00 54.01 H new ATOM 39 N ILE A 3 7.122 -6.872 8.725 1.00 31.31 N ATOM 40 CA ILE A 3 6.495 -7.491 9.864 1.00 25.12 C ATOM 41 C ILE A 3 5.003 -7.535 9.578 1.00 13.31 C ATOM 42 O ILE A 3 4.410 -6.522 9.188 1.00 33.20 O ATOM 43 CB ILE A 3 6.798 -6.710 11.177 1.00 23.21 C ATOM 44 CG1 ILE A 3 8.314 -6.729 11.447 1.00 63.44 C ATOM 45 CG2 ILE A 3 6.029 -7.297 12.365 1.00 51.22 C ATOM 46 CD1 ILE A 3 8.740 -5.957 12.675 1.00 2.41 C ATOM 0 H ILE A 3 6.895 -5.884 8.616 1.00 31.31 H new ATOM 0 HA ILE A 3 6.887 -8.497 10.016 1.00 25.12 H new ATOM 0 HB ILE A 3 6.467 -5.679 11.053 1.00 23.21 H new ATOM 0 HG12 ILE A 3 8.639 -7.764 11.553 1.00 63.44 H new ATOM 0 HG13 ILE A 3 8.830 -6.320 10.579 1.00 63.44 H new ATOM 0 HG21 ILE A 3 6.263 -6.729 13.266 1.00 51.22 H new ATOM 0 HG22 ILE A 3 4.958 -7.242 12.169 1.00 51.22 H new ATOM 0 HG23 ILE A 3 6.318 -8.338 12.507 1.00 51.22 H new ATOM 0 HD11 ILE A 3 9.822 -6.023 12.789 1.00 2.41 H new ATOM 0 HD12 ILE A 3 8.450 -4.912 12.566 1.00 2.41 H new ATOM 0 HD13 ILE A 3 8.256 -6.378 13.556 1.00 2.41 H new ATOM 58 N ASN A 4 4.406 -8.678 9.739 1.00 20.22 N ATOM 59 CA ASN A 4 3.033 -8.900 9.338 1.00 24.23 C ATOM 60 C ASN A 4 2.157 -8.962 10.578 1.00 32.00 C ATOM 61 O ASN A 4 2.426 -9.744 11.492 1.00 60.31 O ATOM 62 CB ASN A 4 2.976 -10.245 8.587 1.00 41.35 C ATOM 63 CG ASN A 4 1.637 -10.568 7.955 1.00 44.33 C ATOM 64 OD1 ASN A 4 0.596 -10.129 8.395 1.00 51.44 O ATOM 65 ND2 ASN A 4 1.665 -11.372 6.937 1.00 33.01 N ATOM 0 H ASN A 4 4.854 -9.494 10.155 1.00 20.22 H new ATOM 0 HA ASN A 4 2.678 -8.094 8.696 1.00 24.23 H new ATOM 0 HB2 ASN A 4 3.738 -10.241 7.807 1.00 41.35 H new ATOM 0 HB3 ASN A 4 3.235 -11.044 9.282 1.00 41.35 H new ATOM 0 HD21 ASN A 4 0.795 -11.651 6.484 1.00 33.01 H new ATOM 0 HD22 ASN A 4 2.557 -11.725 6.590 1.00 33.01 H new ATOM 72 N ASN A 5 1.108 -8.171 10.606 1.00 65.43 N ATOM 73 CA ASN A 5 0.194 -8.133 11.745 1.00 54.20 C ATOM 74 C ASN A 5 -1.222 -8.375 11.241 1.00 74.31 C ATOM 75 O ASN A 5 -2.186 -8.060 11.927 1.00 70.34 O ATOM 76 CB ASN A 5 0.209 -6.745 12.422 1.00 72.22 C ATOM 77 CG ASN A 5 1.566 -6.266 12.890 1.00 20.33 C ATOM 78 OD1 ASN A 5 2.419 -7.039 13.319 1.00 62.01 O ATOM 79 ND2 ASN A 5 1.789 -4.976 12.784 1.00 62.53 N ATOM 0 H ASN A 5 0.858 -7.536 9.848 1.00 65.43 H new ATOM 0 HA ASN A 5 0.508 -8.893 12.461 1.00 54.20 H new ATOM 0 HB2 ASN A 5 -0.194 -6.014 11.722 1.00 72.22 H new ATOM 0 HB3 ASN A 5 -0.464 -6.770 13.279 1.00 72.22 H new ATOM 0 HD21 ASN A 5 2.691 -4.590 13.062 1.00 62.53 H new ATOM 0 HD22 ASN A 5 1.060 -4.360 12.424 1.00 62.53 H new ATOM 86 N LEU A 6 -1.344 -8.966 10.049 1.00 31.42 N ATOM 87 CA LEU A 6 -2.638 -9.176 9.372 1.00 41.12 C ATOM 88 C LEU A 6 -3.633 -9.900 10.292 1.00 32.41 C ATOM 89 O LEU A 6 -4.788 -9.467 10.441 1.00 15.34 O ATOM 90 CB LEU A 6 -2.393 -9.959 8.038 1.00 22.14 C ATOM 91 CG LEU A 6 -3.531 -10.074 6.989 1.00 2.34 C ATOM 92 CD1 LEU A 6 -4.652 -10.991 7.429 1.00 11.20 C ATOM 93 CD2 LEU A 6 -4.071 -8.704 6.634 1.00 33.32 C ATOM 0 H LEU A 6 -0.546 -9.316 9.519 1.00 31.42 H new ATOM 0 HA LEU A 6 -3.087 -8.212 9.133 1.00 41.12 H new ATOM 0 HB2 LEU A 6 -1.540 -9.497 7.542 1.00 22.14 H new ATOM 0 HB3 LEU A 6 -2.095 -10.973 8.306 1.00 22.14 H new ATOM 0 HG LEU A 6 -3.090 -10.526 6.101 1.00 2.34 H new ATOM 0 HD11 LEU A 6 -5.417 -11.029 6.653 1.00 11.20 H new ATOM 0 HD12 LEU A 6 -4.257 -11.993 7.599 1.00 11.20 H new ATOM 0 HD13 LEU A 6 -5.091 -10.612 8.352 1.00 11.20 H new ATOM 0 HD21 LEU A 6 -4.868 -8.807 5.897 1.00 33.32 H new ATOM 0 HD22 LEU A 6 -4.465 -8.225 7.530 1.00 33.32 H new ATOM 0 HD23 LEU A 6 -3.269 -8.093 6.219 1.00 33.32 H new ATOM 105 N LYS A 7 -3.184 -10.984 10.915 1.00 14.34 N ATOM 106 CA LYS A 7 -4.039 -11.732 11.825 1.00 42.10 C ATOM 107 C LYS A 7 -4.446 -10.901 13.032 1.00 53.11 C ATOM 108 O LYS A 7 -5.585 -10.968 13.455 1.00 74.22 O ATOM 109 CB LYS A 7 -3.451 -13.095 12.232 1.00 5.41 C ATOM 110 CG LYS A 7 -2.123 -13.062 12.970 1.00 35.52 C ATOM 111 CD LYS A 7 -1.586 -14.475 13.259 1.00 25.45 C ATOM 112 CE LYS A 7 -2.253 -15.200 14.460 1.00 12.21 C ATOM 113 NZ LYS A 7 -3.722 -15.393 14.345 1.00 61.12 N ATOM 0 H LYS A 7 -2.242 -11.360 10.807 1.00 14.34 H new ATOM 0 HA LYS A 7 -4.947 -11.958 11.265 1.00 42.10 H new ATOM 0 HB2 LYS A 7 -4.179 -13.608 12.861 1.00 5.41 H new ATOM 0 HB3 LYS A 7 -3.327 -13.697 11.332 1.00 5.41 H new ATOM 0 HG2 LYS A 7 -1.393 -12.511 12.377 1.00 35.52 H new ATOM 0 HG3 LYS A 7 -2.244 -12.522 13.909 1.00 35.52 H new ATOM 0 HD2 LYS A 7 -1.718 -15.087 12.366 1.00 25.45 H new ATOM 0 HD3 LYS A 7 -0.514 -14.409 13.444 1.00 25.45 H new ATOM 0 HE2 LYS A 7 -1.783 -16.176 14.582 1.00 12.21 H new ATOM 0 HE3 LYS A 7 -2.047 -14.632 15.367 1.00 12.21 H new ATOM 0 HZ1 LYS A 7 -4.007 -16.227 14.897 1.00 61.12 H new ATOM 0 HZ2 LYS A 7 -4.212 -14.552 14.711 1.00 61.12 H new ATOM 0 HZ3 LYS A 7 -3.976 -15.535 13.347 1.00 61.12 H new ATOM 127 N LEU A 8 -3.515 -10.097 13.549 1.00 3.54 N ATOM 128 CA LEU A 8 -3.778 -9.241 14.706 1.00 24.22 C ATOM 129 C LEU A 8 -4.944 -8.316 14.462 1.00 33.32 C ATOM 130 O LEU A 8 -5.842 -8.253 15.270 1.00 35.35 O ATOM 131 CB LEU A 8 -2.540 -8.409 15.090 1.00 15.15 C ATOM 132 CG LEU A 8 -1.627 -8.978 16.173 1.00 23.14 C ATOM 133 CD1 LEU A 8 -2.391 -9.081 17.480 1.00 50.24 C ATOM 134 CD2 LEU A 8 -1.049 -10.332 15.768 1.00 34.11 C ATOM 0 H LEU A 8 -2.567 -10.021 13.181 1.00 3.54 H new ATOM 0 HA LEU A 8 -4.025 -9.908 15.532 1.00 24.22 H new ATOM 0 HB2 LEU A 8 -1.943 -8.256 14.191 1.00 15.15 H new ATOM 0 HB3 LEU A 8 -2.881 -7.427 15.417 1.00 15.15 H new ATOM 0 HG LEU A 8 -0.784 -8.300 16.305 1.00 23.14 H new ATOM 0 HD11 LEU A 8 -1.738 -9.487 18.252 1.00 50.24 H new ATOM 0 HD12 LEU A 8 -2.735 -8.091 17.780 1.00 50.24 H new ATOM 0 HD13 LEU A 8 -3.250 -9.739 17.348 1.00 50.24 H new ATOM 0 HD21 LEU A 8 -0.404 -10.705 16.564 1.00 34.11 H new ATOM 0 HD22 LEU A 8 -1.862 -11.038 15.598 1.00 34.11 H new ATOM 0 HD23 LEU A 8 -0.468 -10.220 14.853 1.00 34.11 H new ATOM 146 N ILE A 9 -4.965 -7.677 13.312 1.00 72.34 N ATOM 147 CA ILE A 9 -6.034 -6.734 12.974 1.00 55.53 C ATOM 148 C ILE A 9 -7.359 -7.457 12.797 1.00 3.21 C ATOM 149 O ILE A 9 -8.411 -6.980 13.241 1.00 40.20 O ATOM 150 CB ILE A 9 -5.691 -5.838 11.729 1.00 33.31 C ATOM 151 CG1 ILE A 9 -4.675 -4.735 12.091 1.00 5.53 C ATOM 152 CG2 ILE A 9 -6.942 -5.206 11.127 1.00 15.31 C ATOM 153 CD1 ILE A 9 -3.323 -5.206 12.556 1.00 1.24 C ATOM 0 H ILE A 9 -4.256 -7.787 12.587 1.00 72.34 H new ATOM 0 HA ILE A 9 -6.129 -6.050 13.818 1.00 55.53 H new ATOM 0 HB ILE A 9 -5.244 -6.497 10.985 1.00 33.31 H new ATOM 0 HG12 ILE A 9 -4.535 -4.098 11.218 1.00 5.53 H new ATOM 0 HG13 ILE A 9 -5.109 -4.112 12.873 1.00 5.53 H new ATOM 0 HG21 ILE A 9 -6.664 -4.594 10.269 1.00 15.31 H new ATOM 0 HG22 ILE A 9 -7.628 -5.990 10.806 1.00 15.31 H new ATOM 0 HG23 ILE A 9 -7.430 -4.581 11.875 1.00 15.31 H new ATOM 0 HD11 ILE A 9 -2.695 -4.344 12.781 1.00 1.24 H new ATOM 0 HD12 ILE A 9 -3.438 -5.815 13.453 1.00 1.24 H new ATOM 0 HD13 ILE A 9 -2.855 -5.801 11.771 1.00 1.24 H new ATOM 165 N ARG A 10 -7.297 -8.625 12.195 1.00 23.44 N ATOM 166 CA ARG A 10 -8.473 -9.452 12.033 1.00 2.23 C ATOM 167 C ARG A 10 -9.041 -9.843 13.371 1.00 61.23 C ATOM 168 O ARG A 10 -10.252 -9.881 13.538 1.00 0.10 O ATOM 169 CB ARG A 10 -8.164 -10.688 11.231 1.00 24.15 C ATOM 170 CG ARG A 10 -8.092 -10.457 9.748 1.00 71.12 C ATOM 171 CD ARG A 10 -7.689 -11.720 9.041 1.00 32.20 C ATOM 172 NE ARG A 10 -8.447 -12.875 9.513 1.00 64.13 N ATOM 173 CZ ARG A 10 -8.205 -14.119 9.146 1.00 4.20 C ATOM 174 NH1 ARG A 10 -7.536 -14.364 8.021 1.00 64.25 N ATOM 175 NH2 ARG A 10 -8.682 -15.114 9.864 1.00 51.23 N ATOM 0 H ARG A 10 -6.442 -9.024 11.809 1.00 23.44 H new ATOM 0 HA ARG A 10 -9.214 -8.863 11.492 1.00 2.23 H new ATOM 0 HB2 ARG A 10 -7.213 -11.099 11.570 1.00 24.15 H new ATOM 0 HB3 ARG A 10 -8.927 -11.440 11.434 1.00 24.15 H new ATOM 0 HG2 ARG A 10 -9.060 -10.119 9.379 1.00 71.12 H new ATOM 0 HG3 ARG A 10 -7.374 -9.666 9.531 1.00 71.12 H new ATOM 0 HD2 ARG A 10 -7.841 -11.600 7.968 1.00 32.20 H new ATOM 0 HD3 ARG A 10 -6.624 -11.898 9.194 1.00 32.20 H new ATOM 0 HE ARG A 10 -9.212 -12.710 10.168 1.00 64.13 H new ATOM 0 HH11 ARG A 10 -7.210 -13.590 7.442 1.00 64.25 H new ATOM 0 HH12 ARG A 10 -7.349 -15.326 7.738 1.00 64.25 H new ATOM 0 HH21 ARG A 10 -9.235 -14.921 10.699 1.00 51.23 H new ATOM 0 HH22 ARG A 10 -8.498 -16.078 9.585 1.00 51.23 H new ATOM 189 N GLU A 11 -8.159 -10.184 14.290 1.00 3.43 N ATOM 190 CA GLU A 11 -8.513 -10.515 15.646 1.00 32.25 C ATOM 191 C GLU A 11 -8.971 -9.300 16.474 1.00 23.22 C ATOM 192 O GLU A 11 -9.727 -9.453 17.436 1.00 24.24 O ATOM 193 CB GLU A 11 -7.447 -11.369 16.315 1.00 73.21 C ATOM 194 CG GLU A 11 -7.268 -12.695 15.583 1.00 31.54 C ATOM 195 CD GLU A 11 -6.392 -13.675 16.297 1.00 75.21 C ATOM 196 OE1 GLU A 11 -6.908 -14.383 17.212 1.00 52.20 O ATOM 197 OE2 GLU A 11 -5.207 -13.813 15.936 1.00 73.43 O ATOM 0 H GLU A 11 -7.157 -10.238 14.106 1.00 3.43 H new ATOM 0 HA GLU A 11 -9.403 -11.142 15.597 1.00 32.25 H new ATOM 0 HB2 GLU A 11 -6.501 -10.828 16.332 1.00 73.21 H new ATOM 0 HB3 GLU A 11 -7.725 -11.557 17.352 1.00 73.21 H new ATOM 0 HG2 GLU A 11 -8.248 -13.147 15.427 1.00 31.54 H new ATOM 0 HG3 GLU A 11 -6.847 -12.499 14.597 1.00 31.54 H new ATOM 204 N LYS A 12 -8.411 -8.120 16.185 1.00 12.34 N ATOM 205 CA LYS A 12 -8.890 -6.845 16.772 1.00 0.30 C ATOM 206 C LYS A 12 -10.374 -6.591 16.421 1.00 41.03 C ATOM 207 O LYS A 12 -11.085 -5.900 17.139 1.00 70.21 O ATOM 208 CB LYS A 12 -7.991 -5.676 16.343 1.00 31.15 C ATOM 209 CG LYS A 12 -6.560 -5.819 16.855 1.00 63.14 C ATOM 210 CD LYS A 12 -5.618 -4.765 16.300 1.00 63.03 C ATOM 211 CE LYS A 12 -5.976 -3.383 16.773 1.00 13.30 C ATOM 212 NZ LYS A 12 -5.018 -2.354 16.304 1.00 22.43 N ATOM 0 H LYS A 12 -7.623 -8.012 15.547 1.00 12.34 H new ATOM 0 HA LYS A 12 -8.828 -6.924 17.857 1.00 0.30 H new ATOM 0 HB2 LYS A 12 -7.979 -5.612 15.255 1.00 31.15 H new ATOM 0 HB3 LYS A 12 -8.414 -4.742 16.713 1.00 31.15 H new ATOM 0 HG2 LYS A 12 -6.563 -5.758 17.943 1.00 63.14 H new ATOM 0 HG3 LYS A 12 -6.184 -6.808 16.592 1.00 63.14 H new ATOM 0 HD2 LYS A 12 -4.596 -4.998 16.601 1.00 63.03 H new ATOM 0 HD3 LYS A 12 -5.644 -4.793 15.211 1.00 63.03 H new ATOM 0 HE2 LYS A 12 -6.976 -3.130 16.421 1.00 13.30 H new ATOM 0 HE3 LYS A 12 -6.010 -3.373 17.862 1.00 13.30 H new ATOM 0 HZ1 LYS A 12 -5.412 -1.408 16.480 1.00 22.43 H new ATOM 0 HZ2 LYS A 12 -4.120 -2.456 16.818 1.00 22.43 H new ATOM 0 HZ3 LYS A 12 -4.850 -2.475 15.285 1.00 22.43 H new ATOM 226 N LYS A 13 -10.803 -7.147 15.311 1.00 11.23 N ATOM 227 CA LYS A 13 -12.218 -7.218 14.933 1.00 71.54 C ATOM 228 C LYS A 13 -12.570 -8.694 15.108 1.00 62.41 C ATOM 229 O LYS A 13 -11.886 -9.359 15.859 1.00 22.21 O ATOM 230 CB LYS A 13 -12.394 -6.767 13.466 1.00 24.24 C ATOM 231 CG LYS A 13 -11.936 -5.330 13.205 1.00 24.13 C ATOM 232 CD LYS A 13 -12.698 -4.344 14.087 1.00 4.22 C ATOM 233 CE LYS A 13 -12.197 -2.913 13.932 1.00 44.25 C ATOM 234 NZ LYS A 13 -12.415 -2.365 12.572 1.00 54.41 N ATOM 0 H LYS A 13 -10.178 -7.573 14.627 1.00 11.23 H new ATOM 0 HA LYS A 13 -12.860 -6.570 15.530 1.00 71.54 H new ATOM 0 HB2 LYS A 13 -11.833 -7.441 12.818 1.00 24.24 H new ATOM 0 HB3 LYS A 13 -13.444 -6.860 13.190 1.00 24.24 H new ATOM 0 HG2 LYS A 13 -10.867 -5.245 13.398 1.00 24.13 H new ATOM 0 HG3 LYS A 13 -12.091 -5.080 12.156 1.00 24.13 H new ATOM 0 HD2 LYS A 13 -13.758 -4.383 13.838 1.00 4.22 H new ATOM 0 HD3 LYS A 13 -12.604 -4.647 15.130 1.00 4.22 H new ATOM 0 HE2 LYS A 13 -12.702 -2.277 14.659 1.00 44.25 H new ATOM 0 HE3 LYS A 13 -11.133 -2.880 14.164 1.00 44.25 H new ATOM 0 HZ1 LYS A 13 -12.148 -1.360 12.556 1.00 54.41 H new ATOM 0 HZ2 LYS A 13 -11.832 -2.889 11.889 1.00 54.41 H new ATOM 0 HZ3 LYS A 13 -13.418 -2.461 12.316 1.00 54.41 H new ATOM 248 N LYS A 14 -13.612 -9.250 14.555 1.00 71.43 N ATOM 249 CA LYS A 14 -13.653 -10.690 14.553 1.00 32.42 C ATOM 250 C LYS A 14 -14.097 -11.197 13.213 1.00 13.24 C ATOM 251 O LYS A 14 -15.228 -11.654 13.021 1.00 5.54 O ATOM 252 CB LYS A 14 -14.421 -11.318 15.750 1.00 73.24 C ATOM 253 CG LYS A 14 -15.846 -10.830 15.994 1.00 40.21 C ATOM 254 CD LYS A 14 -16.425 -11.552 17.201 1.00 43.22 C ATOM 255 CE LYS A 14 -17.844 -11.116 17.546 1.00 70.42 C ATOM 256 NZ LYS A 14 -17.937 -9.696 17.926 1.00 23.43 N ATOM 0 H LYS A 14 -14.400 -8.767 14.124 1.00 71.43 H new ATOM 0 HA LYS A 14 -12.632 -11.035 14.717 1.00 32.42 H new ATOM 0 HB2 LYS A 14 -14.454 -12.397 15.602 1.00 73.24 H new ATOM 0 HB3 LYS A 14 -13.842 -11.138 16.656 1.00 73.24 H new ATOM 0 HG2 LYS A 14 -15.850 -9.753 16.164 1.00 40.21 H new ATOM 0 HG3 LYS A 14 -16.462 -11.016 15.114 1.00 40.21 H new ATOM 0 HD2 LYS A 14 -16.419 -12.625 17.010 1.00 43.22 H new ATOM 0 HD3 LYS A 14 -15.780 -11.378 18.062 1.00 43.22 H new ATOM 0 HE2 LYS A 14 -18.492 -11.300 16.689 1.00 70.42 H new ATOM 0 HE3 LYS A 14 -18.217 -11.730 18.366 1.00 70.42 H new ATOM 0 HZ1 LYS A 14 -18.908 -9.481 18.230 1.00 23.43 H new ATOM 0 HZ2 LYS A 14 -17.278 -9.502 18.707 1.00 23.43 H new ATOM 0 HZ3 LYS A 14 -17.690 -9.101 17.109 1.00 23.43 H new ATOM 270 N ILE A 15 -13.221 -11.024 12.262 1.00 13.13 N ATOM 271 CA ILE A 15 -13.460 -11.411 10.898 1.00 43.54 C ATOM 272 C ILE A 15 -12.451 -12.485 10.521 1.00 51.30 C ATOM 273 O ILE A 15 -11.238 -12.323 10.748 1.00 65.41 O ATOM 274 CB ILE A 15 -13.309 -10.189 9.942 1.00 70.43 C ATOM 275 CG1 ILE A 15 -14.211 -9.030 10.414 1.00 24.32 C ATOM 276 CG2 ILE A 15 -13.664 -10.586 8.511 1.00 62.43 C ATOM 277 CD1 ILE A 15 -14.062 -7.750 9.613 1.00 1.24 C ATOM 0 H ILE A 15 -12.305 -10.603 12.415 1.00 13.13 H new ATOM 0 HA ILE A 15 -14.477 -11.792 10.802 1.00 43.54 H new ATOM 0 HB ILE A 15 -12.271 -9.857 9.962 1.00 70.43 H new ATOM 0 HG12 ILE A 15 -15.251 -9.354 10.368 1.00 24.32 H new ATOM 0 HG13 ILE A 15 -13.990 -8.817 11.460 1.00 24.32 H new ATOM 0 HG21 ILE A 15 -13.554 -9.722 7.856 1.00 62.43 H new ATOM 0 HG22 ILE A 15 -12.997 -11.381 8.178 1.00 62.43 H new ATOM 0 HG23 ILE A 15 -14.695 -10.938 8.476 1.00 62.43 H new ATOM 0 HD11 ILE A 15 -14.733 -6.990 10.014 1.00 1.24 H new ATOM 0 HD12 ILE A 15 -13.033 -7.397 9.679 1.00 1.24 H new ATOM 0 HD13 ILE A 15 -14.313 -7.942 8.570 1.00 1.24 H new ATOM 289 N SER A 16 -12.932 -13.565 9.983 1.00 2.42 N ATOM 290 CA SER A 16 -12.101 -14.672 9.616 1.00 41.31 C ATOM 291 C SER A 16 -11.752 -14.614 8.118 1.00 13.21 C ATOM 292 O SER A 16 -12.189 -13.688 7.403 1.00 35.13 O ATOM 293 CB SER A 16 -12.815 -15.962 9.991 1.00 43.33 C ATOM 294 OG SER A 16 -13.125 -15.959 11.385 1.00 71.34 O ATOM 0 H SER A 16 -13.923 -13.704 9.784 1.00 2.42 H new ATOM 0 HA SER A 16 -11.155 -14.629 10.157 1.00 41.31 H new ATOM 0 HB2 SER A 16 -13.729 -16.065 9.407 1.00 43.33 H new ATOM 0 HB3 SER A 16 -12.186 -16.819 9.751 1.00 43.33 H new ATOM 0 HG SER A 16 -13.586 -16.791 11.619 1.00 71.34 H new ATOM 300 N GLN A 17 -10.969 -15.584 7.650 1.00 45.12 N ATOM 301 CA GLN A 17 -10.492 -15.600 6.269 1.00 65.34 C ATOM 302 C GLN A 17 -11.620 -15.703 5.255 1.00 13.44 C ATOM 303 O GLN A 17 -11.604 -15.006 4.249 1.00 12.11 O ATOM 304 CB GLN A 17 -9.439 -16.701 6.027 1.00 30.22 C ATOM 305 CG GLN A 17 -9.882 -18.110 6.383 1.00 4.43 C ATOM 306 CD GLN A 17 -8.859 -19.160 6.005 1.00 53.31 C ATOM 307 OE1 GLN A 17 -8.901 -19.732 4.917 1.00 72.33 O ATOM 308 NE2 GLN A 17 -7.920 -19.399 6.870 1.00 45.23 N ATOM 0 H GLN A 17 -10.650 -16.374 8.211 1.00 45.12 H new ATOM 0 HA GLN A 17 -10.009 -14.635 6.117 1.00 65.34 H new ATOM 0 HB2 GLN A 17 -9.152 -16.682 4.976 1.00 30.22 H new ATOM 0 HB3 GLN A 17 -8.547 -16.461 6.605 1.00 30.22 H new ATOM 0 HG2 GLN A 17 -10.074 -18.166 7.454 1.00 4.43 H new ATOM 0 HG3 GLN A 17 -10.823 -18.328 5.879 1.00 4.43 H new ATOM 0 HE21 GLN A 17 -7.913 -18.908 7.764 1.00 45.23 H new ATOM 0 HE22 GLN A 17 -7.190 -20.078 6.655 1.00 45.23 H new ATOM 317 N SER A 18 -12.602 -16.532 5.540 1.00 55.44 N ATOM 318 CA SER A 18 -13.704 -16.782 4.642 1.00 52.11 C ATOM 319 C SER A 18 -14.497 -15.504 4.341 1.00 62.21 C ATOM 320 O SER A 18 -14.820 -15.217 3.174 1.00 10.02 O ATOM 321 CB SER A 18 -14.594 -17.816 5.289 1.00 45.03 C ATOM 322 OG SER A 18 -13.799 -18.869 5.821 1.00 21.34 O ATOM 0 H SER A 18 -12.656 -17.056 6.413 1.00 55.44 H new ATOM 0 HA SER A 18 -13.321 -17.141 3.687 1.00 52.11 H new ATOM 0 HB2 SER A 18 -15.184 -17.357 6.082 1.00 45.03 H new ATOM 0 HB3 SER A 18 -15.298 -18.213 4.557 1.00 45.03 H new ATOM 0 HG SER A 18 -14.380 -19.537 6.241 1.00 21.34 H new ATOM 328 N GLU A 19 -14.788 -14.734 5.376 1.00 50.43 N ATOM 329 CA GLU A 19 -15.537 -13.505 5.219 1.00 3.23 C ATOM 330 C GLU A 19 -14.761 -12.501 4.398 1.00 41.23 C ATOM 331 O GLU A 19 -15.310 -11.893 3.478 1.00 11.14 O ATOM 332 CB GLU A 19 -15.947 -12.882 6.552 1.00 33.34 C ATOM 333 CG GLU A 19 -16.736 -13.795 7.469 1.00 42.23 C ATOM 334 CD GLU A 19 -15.869 -14.729 8.268 1.00 44.10 C ATOM 335 OE1 GLU A 19 -15.459 -14.344 9.371 1.00 64.25 O ATOM 336 OE2 GLU A 19 -15.593 -15.855 7.823 1.00 70.32 O ATOM 0 H GLU A 19 -14.514 -14.942 6.336 1.00 50.43 H new ATOM 0 HA GLU A 19 -16.453 -13.773 4.693 1.00 3.23 H new ATOM 0 HB2 GLU A 19 -15.048 -12.555 7.075 1.00 33.34 H new ATOM 0 HB3 GLU A 19 -16.542 -11.991 6.352 1.00 33.34 H new ATOM 0 HG2 GLU A 19 -17.330 -13.188 8.152 1.00 42.23 H new ATOM 0 HG3 GLU A 19 -17.436 -14.381 6.873 1.00 42.23 H new ATOM 343 N LEU A 20 -13.477 -12.347 4.703 1.00 73.22 N ATOM 344 CA LEU A 20 -12.632 -11.439 3.947 1.00 10.22 C ATOM 345 C LEU A 20 -12.528 -11.864 2.508 1.00 65.33 C ATOM 346 O LEU A 20 -12.614 -11.040 1.624 1.00 30.50 O ATOM 347 CB LEU A 20 -11.243 -11.293 4.561 1.00 32.54 C ATOM 348 CG LEU A 20 -11.172 -10.511 5.865 1.00 41.02 C ATOM 349 CD1 LEU A 20 -9.753 -10.486 6.380 1.00 52.52 C ATOM 350 CD2 LEU A 20 -11.678 -9.087 5.656 1.00 23.21 C ATOM 0 H LEU A 20 -13.004 -12.836 5.463 1.00 73.22 H new ATOM 0 HA LEU A 20 -13.111 -10.461 3.988 1.00 10.22 H new ATOM 0 HB2 LEU A 20 -10.837 -12.290 4.735 1.00 32.54 H new ATOM 0 HB3 LEU A 20 -10.594 -10.807 3.832 1.00 32.54 H new ATOM 0 HG LEU A 20 -11.806 -11.004 6.602 1.00 41.02 H new ATOM 0 HD11 LEU A 20 -9.714 -9.924 7.313 1.00 52.52 H new ATOM 0 HD12 LEU A 20 -9.412 -11.506 6.557 1.00 52.52 H new ATOM 0 HD13 LEU A 20 -9.107 -10.010 5.643 1.00 52.52 H new ATOM 0 HD21 LEU A 20 -11.622 -8.539 6.597 1.00 23.21 H new ATOM 0 HD22 LEU A 20 -11.062 -8.588 4.908 1.00 23.21 H new ATOM 0 HD23 LEU A 20 -12.713 -9.115 5.314 1.00 23.21 H new ATOM 362 N ALA A 21 -12.403 -13.163 2.279 1.00 4.44 N ATOM 363 CA ALA A 21 -12.307 -13.701 0.933 1.00 14.42 C ATOM 364 C ALA A 21 -13.529 -13.322 0.111 1.00 35.03 C ATOM 365 O ALA A 21 -13.400 -12.939 -1.045 1.00 72.55 O ATOM 366 CB ALA A 21 -12.143 -15.205 0.970 1.00 1.41 C ATOM 0 H ALA A 21 -12.366 -13.868 3.016 1.00 4.44 H new ATOM 0 HA ALA A 21 -11.426 -13.268 0.458 1.00 14.42 H new ATOM 0 HB1 ALA A 21 -12.073 -15.589 -0.048 1.00 1.41 H new ATOM 0 HB2 ALA A 21 -11.235 -15.459 1.517 1.00 1.41 H new ATOM 0 HB3 ALA A 21 -13.003 -15.653 1.468 1.00 1.41 H new ATOM 372 N ALA A 22 -14.702 -13.398 0.724 1.00 4.14 N ATOM 373 CA ALA A 22 -15.940 -13.014 0.062 1.00 53.23 C ATOM 374 C ALA A 22 -15.972 -11.512 -0.214 1.00 34.22 C ATOM 375 O ALA A 22 -16.355 -11.077 -1.304 1.00 30.41 O ATOM 376 CB ALA A 22 -17.138 -13.419 0.908 1.00 24.13 C ATOM 0 H ALA A 22 -14.822 -13.724 1.683 1.00 4.14 H new ATOM 0 HA ALA A 22 -15.989 -13.536 -0.894 1.00 53.23 H new ATOM 0 HB1 ALA A 22 -18.057 -13.126 0.401 1.00 24.13 H new ATOM 0 HB2 ALA A 22 -17.132 -14.499 1.053 1.00 24.13 H new ATOM 0 HB3 ALA A 22 -17.084 -12.922 1.877 1.00 24.13 H new ATOM 382 N LEU A 23 -15.529 -10.729 0.763 1.00 71.12 N ATOM 383 CA LEU A 23 -15.514 -9.270 0.653 1.00 42.20 C ATOM 384 C LEU A 23 -14.573 -8.814 -0.454 1.00 63.22 C ATOM 385 O LEU A 23 -14.883 -7.892 -1.214 1.00 30.24 O ATOM 386 CB LEU A 23 -15.074 -8.633 1.985 1.00 60.54 C ATOM 387 CG LEU A 23 -15.980 -8.870 3.200 1.00 63.34 C ATOM 388 CD1 LEU A 23 -15.352 -8.288 4.454 1.00 60.14 C ATOM 389 CD2 LEU A 23 -17.345 -8.257 2.974 1.00 50.33 C ATOM 0 H LEU A 23 -15.171 -11.083 1.650 1.00 71.12 H new ATOM 0 HA LEU A 23 -16.527 -8.948 0.412 1.00 42.20 H new ATOM 0 HB2 LEU A 23 -14.078 -9.005 2.226 1.00 60.54 H new ATOM 0 HB3 LEU A 23 -14.984 -7.557 1.833 1.00 60.54 H new ATOM 0 HG LEU A 23 -16.097 -9.946 3.332 1.00 63.34 H new ATOM 0 HD11 LEU A 23 -16.009 -8.465 5.306 1.00 60.14 H new ATOM 0 HD12 LEU A 23 -14.388 -8.765 4.633 1.00 60.14 H new ATOM 0 HD13 LEU A 23 -15.208 -7.215 4.324 1.00 60.14 H new ATOM 0 HD21 LEU A 23 -17.973 -8.436 3.847 1.00 50.33 H new ATOM 0 HD22 LEU A 23 -17.240 -7.184 2.816 1.00 50.33 H new ATOM 0 HD23 LEU A 23 -17.806 -8.710 2.096 1.00 50.33 H new ATOM 401 N LEU A 24 -13.441 -9.480 -0.562 1.00 61.11 N ATOM 402 CA LEU A 24 -12.431 -9.111 -1.533 1.00 33.50 C ATOM 403 C LEU A 24 -12.672 -9.805 -2.867 1.00 13.04 C ATOM 404 O LEU A 24 -11.946 -9.542 -3.836 1.00 54.12 O ATOM 405 CB LEU A 24 -11.049 -9.519 -1.030 1.00 1.13 C ATOM 406 CG LEU A 24 -10.710 -9.200 0.424 1.00 1.25 C ATOM 407 CD1 LEU A 24 -9.321 -9.675 0.754 1.00 24.05 C ATOM 408 CD2 LEU A 24 -10.878 -7.729 0.744 1.00 43.42 C ATOM 0 H LEU A 24 -13.197 -10.285 0.015 1.00 61.11 H new ATOM 0 HA LEU A 24 -12.486 -8.031 -1.670 1.00 33.50 H new ATOM 0 HB2 LEU A 24 -10.942 -10.594 -1.173 1.00 1.13 H new ATOM 0 HB3 LEU A 24 -10.304 -9.038 -1.663 1.00 1.13 H new ATOM 0 HG LEU A 24 -11.420 -9.737 1.052 1.00 1.25 H new ATOM 0 HD11 LEU A 24 -9.094 -9.440 1.794 1.00 24.05 H new ATOM 0 HD12 LEU A 24 -9.260 -10.753 0.603 1.00 24.05 H new ATOM 0 HD13 LEU A 24 -8.602 -9.176 0.104 1.00 24.05 H new ATOM 0 HD21 LEU A 24 -10.625 -7.553 1.790 1.00 43.42 H new ATOM 0 HD22 LEU A 24 -10.218 -7.140 0.107 1.00 43.42 H new ATOM 0 HD23 LEU A 24 -11.912 -7.434 0.566 1.00 43.42 H new ATOM 420 N GLU A 25 -13.679 -10.700 -2.912 1.00 45.33 N ATOM 421 CA GLU A 25 -14.022 -11.475 -4.119 1.00 22.43 C ATOM 422 C GLU A 25 -12.831 -12.340 -4.557 1.00 63.31 C ATOM 423 O GLU A 25 -12.597 -12.552 -5.754 1.00 72.53 O ATOM 424 CB GLU A 25 -14.450 -10.515 -5.242 1.00 34.10 C ATOM 425 CG GLU A 25 -15.658 -9.672 -4.881 1.00 74.02 C ATOM 426 CD GLU A 25 -15.890 -8.547 -5.844 1.00 63.23 C ATOM 427 OE1 GLU A 25 -15.282 -7.480 -5.671 1.00 73.13 O ATOM 428 OE2 GLU A 25 -16.707 -8.687 -6.781 1.00 54.24 O ATOM 0 H GLU A 25 -14.277 -10.905 -2.112 1.00 45.33 H new ATOM 0 HA GLU A 25 -14.854 -12.143 -3.895 1.00 22.43 H new ATOM 0 HB2 GLU A 25 -13.616 -9.857 -5.486 1.00 34.10 H new ATOM 0 HB3 GLU A 25 -14.673 -11.092 -6.139 1.00 34.10 H new ATOM 0 HG2 GLU A 25 -16.543 -10.307 -4.852 1.00 74.02 H new ATOM 0 HG3 GLU A 25 -15.525 -9.265 -3.879 1.00 74.02 H new ATOM 435 N VAL A 26 -12.122 -12.883 -3.586 1.00 33.53 N ATOM 436 CA VAL A 26 -10.926 -13.671 -3.841 1.00 2.41 C ATOM 437 C VAL A 26 -11.078 -15.044 -3.237 1.00 32.32 C ATOM 438 O VAL A 26 -12.049 -15.310 -2.536 1.00 23.34 O ATOM 439 CB VAL A 26 -9.635 -13.018 -3.252 1.00 63.23 C ATOM 440 CG1 VAL A 26 -9.345 -11.685 -3.898 1.00 12.32 C ATOM 441 CG2 VAL A 26 -9.719 -12.879 -1.731 1.00 4.10 C ATOM 0 H VAL A 26 -12.357 -12.792 -2.598 1.00 33.53 H new ATOM 0 HA VAL A 26 -10.816 -13.727 -4.924 1.00 2.41 H new ATOM 0 HB VAL A 26 -8.805 -13.687 -3.480 1.00 63.23 H new ATOM 0 HG11 VAL A 26 -8.440 -11.260 -3.464 1.00 12.32 H new ATOM 0 HG12 VAL A 26 -9.203 -11.823 -4.970 1.00 12.32 H new ATOM 0 HG13 VAL A 26 -10.182 -11.008 -3.727 1.00 12.32 H new ATOM 0 HG21 VAL A 26 -8.804 -12.421 -1.356 1.00 4.10 H new ATOM 0 HG22 VAL A 26 -10.572 -12.252 -1.469 1.00 4.10 H new ATOM 0 HG23 VAL A 26 -9.842 -13.865 -1.282 1.00 4.10 H new ATOM 451 N SER A 27 -10.128 -15.898 -3.490 1.00 35.42 N ATOM 452 CA SER A 27 -10.116 -17.206 -2.911 1.00 0.14 C ATOM 453 C SER A 27 -9.709 -17.097 -1.433 1.00 54.44 C ATOM 454 O SER A 27 -8.964 -16.179 -1.050 1.00 24.14 O ATOM 455 CB SER A 27 -9.112 -18.066 -3.662 1.00 23.34 C ATOM 456 OG SER A 27 -9.362 -18.042 -5.063 1.00 1.11 O ATOM 0 H SER A 27 -9.338 -15.704 -4.106 1.00 35.42 H new ATOM 0 HA SER A 27 -11.105 -17.659 -2.979 1.00 0.14 H new ATOM 0 HB2 SER A 27 -8.102 -17.708 -3.464 1.00 23.34 H new ATOM 0 HB3 SER A 27 -9.164 -19.092 -3.298 1.00 23.34 H new ATOM 0 HG SER A 27 -8.702 -18.601 -5.523 1.00 1.11 H new ATOM 462 N ARG A 28 -10.204 -18.000 -0.604 1.00 33.45 N ATOM 463 CA ARG A 28 -9.832 -18.033 0.813 1.00 2.32 C ATOM 464 C ARG A 28 -8.321 -18.276 0.961 1.00 72.10 C ATOM 465 O ARG A 28 -7.689 -17.813 1.906 1.00 61.25 O ATOM 466 CB ARG A 28 -10.667 -19.063 1.598 1.00 73.14 C ATOM 467 CG ARG A 28 -12.171 -18.822 1.487 1.00 54.32 C ATOM 468 CD ARG A 28 -12.987 -19.669 2.455 1.00 53.33 C ATOM 469 NE ARG A 28 -12.789 -21.110 2.290 1.00 21.14 N ATOM 470 CZ ARG A 28 -13.616 -22.054 2.760 1.00 13.43 C ATOM 471 NH1 ARG A 28 -14.803 -21.729 3.273 1.00 20.31 N ATOM 472 NH2 ARG A 28 -13.268 -23.325 2.665 1.00 44.34 N ATOM 0 H ARG A 28 -10.866 -18.724 -0.882 1.00 33.45 H new ATOM 0 HA ARG A 28 -10.058 -17.060 1.250 1.00 2.32 H new ATOM 0 HB2 ARG A 28 -10.437 -20.064 1.232 1.00 73.14 H new ATOM 0 HB3 ARG A 28 -10.376 -19.033 2.648 1.00 73.14 H new ATOM 0 HG2 ARG A 28 -12.378 -17.768 1.673 1.00 54.32 H new ATOM 0 HG3 ARG A 28 -12.492 -19.035 0.468 1.00 54.32 H new ATOM 0 HD2 ARG A 28 -12.726 -19.390 3.476 1.00 53.33 H new ATOM 0 HD3 ARG A 28 -14.044 -19.439 2.322 1.00 53.33 H new ATOM 0 HE ARG A 28 -11.961 -21.418 1.780 1.00 21.14 H new ATOM 0 HH11 ARG A 28 -15.092 -20.751 3.311 1.00 20.31 H new ATOM 0 HH12 ARG A 28 -15.422 -22.458 3.627 1.00 20.31 H new ATOM 0 HH21 ARG A 28 -12.378 -23.579 2.237 1.00 44.34 H new ATOM 0 HH22 ARG A 28 -13.890 -24.052 3.019 1.00 44.34 H new ATOM 486 N GLN A 29 -7.759 -18.968 -0.017 1.00 63.51 N ATOM 487 CA GLN A 29 -6.322 -19.201 -0.108 1.00 73.10 C ATOM 488 C GLN A 29 -5.558 -17.869 -0.265 1.00 21.43 C ATOM 489 O GLN A 29 -4.447 -17.727 0.228 1.00 63.01 O ATOM 490 CB GLN A 29 -6.038 -20.188 -1.272 1.00 14.11 C ATOM 491 CG GLN A 29 -4.572 -20.540 -1.552 1.00 34.33 C ATOM 492 CD GLN A 29 -3.814 -19.486 -2.360 1.00 13.43 C ATOM 493 OE1 GLN A 29 -4.394 -18.772 -3.177 1.00 35.21 O ATOM 494 NE2 GLN A 29 -2.533 -19.414 -2.169 1.00 24.53 N ATOM 0 H GLN A 29 -8.291 -19.389 -0.779 1.00 63.51 H new ATOM 0 HA GLN A 29 -5.962 -19.654 0.816 1.00 73.10 H new ATOM 0 HB2 GLN A 29 -6.574 -21.115 -1.067 1.00 14.11 H new ATOM 0 HB3 GLN A 29 -6.464 -19.767 -2.183 1.00 14.11 H new ATOM 0 HG2 GLN A 29 -4.059 -20.691 -0.602 1.00 34.33 H new ATOM 0 HG3 GLN A 29 -4.534 -21.488 -2.088 1.00 34.33 H new ATOM 0 HE21 GLN A 29 -2.085 -20.021 -1.483 1.00 24.53 H new ATOM 0 HE22 GLN A 29 -1.974 -18.750 -2.705 1.00 24.53 H new ATOM 503 N THR A 30 -6.177 -16.894 -0.915 1.00 21.22 N ATOM 504 CA THR A 30 -5.554 -15.607 -1.143 1.00 0.23 C ATOM 505 C THR A 30 -5.317 -14.881 0.196 1.00 24.14 C ATOM 506 O THR A 30 -4.207 -14.431 0.477 1.00 5.35 O ATOM 507 CB THR A 30 -6.435 -14.745 -2.077 1.00 71.41 C ATOM 508 OG1 THR A 30 -6.778 -15.525 -3.239 1.00 40.00 O ATOM 509 CG2 THR A 30 -5.699 -13.486 -2.521 1.00 50.43 C ATOM 0 H THR A 30 -7.120 -16.976 -1.296 1.00 21.22 H new ATOM 0 HA THR A 30 -4.589 -15.766 -1.624 1.00 0.23 H new ATOM 0 HB THR A 30 -7.331 -14.445 -1.534 1.00 71.41 H new ATOM 0 HG1 THR A 30 -7.051 -14.927 -3.966 1.00 40.00 H new ATOM 0 HG21 THR A 30 -6.343 -12.900 -3.177 1.00 50.43 H new ATOM 0 HG22 THR A 30 -5.434 -12.892 -1.646 1.00 50.43 H new ATOM 0 HG23 THR A 30 -4.792 -13.765 -3.058 1.00 50.43 H new ATOM 517 N ILE A 31 -6.350 -14.821 1.033 1.00 3.24 N ATOM 518 CA ILE A 31 -6.235 -14.178 2.340 1.00 15.23 C ATOM 519 C ILE A 31 -5.351 -15.026 3.288 1.00 54.43 C ATOM 520 O ILE A 31 -4.614 -14.482 4.120 1.00 12.25 O ATOM 521 CB ILE A 31 -7.639 -13.833 2.960 1.00 61.33 C ATOM 522 CG1 ILE A 31 -7.527 -13.205 4.361 1.00 13.20 C ATOM 523 CG2 ILE A 31 -8.562 -15.028 2.973 1.00 12.10 C ATOM 524 CD1 ILE A 31 -6.816 -11.869 4.382 1.00 15.23 C ATOM 0 H ILE A 31 -7.272 -15.208 0.831 1.00 3.24 H new ATOM 0 HA ILE A 31 -5.735 -13.219 2.201 1.00 15.23 H new ATOM 0 HB ILE A 31 -8.081 -13.081 2.306 1.00 61.33 H new ATOM 0 HG12 ILE A 31 -8.528 -13.078 4.772 1.00 13.20 H new ATOM 0 HG13 ILE A 31 -6.998 -13.897 5.017 1.00 13.20 H new ATOM 0 HG21 ILE A 31 -9.519 -14.744 3.409 1.00 12.10 H new ATOM 0 HG22 ILE A 31 -8.718 -15.378 1.953 1.00 12.10 H new ATOM 0 HG23 ILE A 31 -8.116 -15.826 3.566 1.00 12.10 H new ATOM 0 HD11 ILE A 31 -6.778 -11.493 5.404 1.00 15.23 H new ATOM 0 HD12 ILE A 31 -5.801 -11.991 4.002 1.00 15.23 H new ATOM 0 HD13 ILE A 31 -7.356 -11.160 3.754 1.00 15.23 H new ATOM 536 N ASN A 32 -5.393 -16.346 3.099 1.00 30.33 N ATOM 537 CA ASN A 32 -4.515 -17.292 3.823 1.00 60.42 C ATOM 538 C ASN A 32 -3.064 -16.950 3.516 1.00 3.24 C ATOM 539 O ASN A 32 -2.206 -16.868 4.407 1.00 13.11 O ATOM 540 CB ASN A 32 -4.813 -18.735 3.343 1.00 64.50 C ATOM 541 CG ASN A 32 -3.845 -19.797 3.870 1.00 24.43 C ATOM 542 OD1 ASN A 32 -4.064 -20.390 4.922 1.00 33.15 O ATOM 543 ND2 ASN A 32 -2.794 -20.077 3.134 1.00 74.02 N ATOM 0 H ASN A 32 -6.031 -16.797 2.444 1.00 30.33 H new ATOM 0 HA ASN A 32 -4.695 -17.220 4.896 1.00 60.42 H new ATOM 0 HB2 ASN A 32 -5.825 -19.003 3.647 1.00 64.50 H new ATOM 0 HB3 ASN A 32 -4.792 -18.753 2.253 1.00 64.50 H new ATOM 0 HD21 ASN A 32 -2.140 -20.800 3.433 1.00 74.02 H new ATOM 0 HD22 ASN A 32 -2.632 -19.571 2.263 1.00 74.02 H new ATOM 550 N GLY A 33 -2.816 -16.718 2.242 1.00 32.15 N ATOM 551 CA GLY A 33 -1.515 -16.368 1.772 1.00 62.40 C ATOM 552 C GLY A 33 -1.044 -15.037 2.303 1.00 51.22 C ATOM 553 O GLY A 33 0.157 -14.833 2.482 1.00 73.51 O ATOM 0 H GLY A 33 -3.524 -16.771 1.510 1.00 32.15 H new ATOM 0 HA2 GLY A 33 -0.807 -17.143 2.065 1.00 62.40 H new ATOM 0 HA3 GLY A 33 -1.522 -16.338 0.682 1.00 62.40 H new ATOM 557 N ILE A 34 -1.963 -14.114 2.515 1.00 55.13 N ATOM 558 CA ILE A 34 -1.626 -12.816 3.075 1.00 14.23 C ATOM 559 C ILE A 34 -1.271 -12.933 4.567 1.00 12.31 C ATOM 560 O ILE A 34 -0.331 -12.279 5.035 1.00 62.21 O ATOM 561 CB ILE A 34 -2.759 -11.766 2.864 1.00 13.40 C ATOM 562 CG1 ILE A 34 -3.093 -11.610 1.364 1.00 21.05 C ATOM 563 CG2 ILE A 34 -2.371 -10.414 3.463 1.00 62.42 C ATOM 564 CD1 ILE A 34 -1.922 -11.177 0.492 1.00 51.13 C ATOM 0 H ILE A 34 -2.954 -14.239 2.307 1.00 55.13 H new ATOM 0 HA ILE A 34 -0.749 -12.460 2.534 1.00 14.23 H new ATOM 0 HB ILE A 34 -3.648 -12.129 3.380 1.00 13.40 H new ATOM 0 HG12 ILE A 34 -3.475 -12.560 0.990 1.00 21.05 H new ATOM 0 HG13 ILE A 34 -3.896 -10.880 1.259 1.00 21.05 H new ATOM 0 HG21 ILE A 34 -3.178 -9.700 3.302 1.00 62.42 H new ATOM 0 HG22 ILE A 34 -2.194 -10.527 4.533 1.00 62.42 H new ATOM 0 HG23 ILE A 34 -1.463 -10.050 2.982 1.00 62.42 H new ATOM 0 HD11 ILE A 34 -2.251 -11.094 -0.544 1.00 51.13 H new ATOM 0 HD12 ILE A 34 -1.552 -10.210 0.834 1.00 51.13 H new ATOM 0 HD13 ILE A 34 -1.124 -11.916 0.561 1.00 51.13 H new ATOM 576 N GLU A 35 -1.986 -13.800 5.301 1.00 42.35 N ATOM 577 CA GLU A 35 -1.714 -14.017 6.739 1.00 14.13 C ATOM 578 C GLU A 35 -0.291 -14.464 6.981 1.00 62.12 C ATOM 579 O GLU A 35 0.330 -14.072 7.963 1.00 33.44 O ATOM 580 CB GLU A 35 -2.638 -15.073 7.342 1.00 72.22 C ATOM 581 CG GLU A 35 -4.090 -14.692 7.422 1.00 22.14 C ATOM 582 CD GLU A 35 -4.906 -15.750 8.114 1.00 2.35 C ATOM 583 OE1 GLU A 35 -4.793 -15.898 9.337 1.00 12.42 O ATOM 584 OE2 GLU A 35 -5.725 -16.425 7.459 1.00 14.03 O ATOM 0 H GLU A 35 -2.753 -14.361 4.930 1.00 42.35 H new ATOM 0 HA GLU A 35 -1.889 -13.053 7.217 1.00 14.13 H new ATOM 0 HB2 GLU A 35 -2.552 -15.986 6.752 1.00 72.22 H new ATOM 0 HB3 GLU A 35 -2.286 -15.308 8.346 1.00 72.22 H new ATOM 0 HG2 GLU A 35 -4.189 -13.748 7.957 1.00 22.14 H new ATOM 0 HG3 GLU A 35 -4.480 -14.531 6.417 1.00 22.14 H new ATOM 591 N LYS A 36 0.235 -15.250 6.085 1.00 72.42 N ATOM 592 CA LYS A 36 1.596 -15.720 6.225 1.00 3.42 C ATOM 593 C LYS A 36 2.524 -14.952 5.294 1.00 64.33 C ATOM 594 O LYS A 36 3.694 -15.298 5.159 1.00 74.05 O ATOM 595 CB LYS A 36 1.675 -17.233 5.949 1.00 71.34 C ATOM 596 CG LYS A 36 0.813 -18.080 6.890 1.00 73.40 C ATOM 597 CD LYS A 36 1.219 -17.895 8.354 1.00 3.32 C ATOM 598 CE LYS A 36 2.614 -18.442 8.634 1.00 11.20 C ATOM 599 NZ LYS A 36 3.067 -18.130 10.004 1.00 30.21 N ATOM 0 H LYS A 36 -0.250 -15.581 5.251 1.00 72.42 H new ATOM 0 HA LYS A 36 1.920 -15.543 7.251 1.00 3.42 H new ATOM 0 HB2 LYS A 36 1.367 -17.422 4.921 1.00 71.34 H new ATOM 0 HB3 LYS A 36 2.713 -17.555 6.034 1.00 71.34 H new ATOM 0 HG2 LYS A 36 -0.235 -17.808 6.766 1.00 73.40 H new ATOM 0 HG3 LYS A 36 0.903 -19.132 6.618 1.00 73.40 H new ATOM 0 HD2 LYS A 36 1.188 -16.835 8.608 1.00 3.32 H new ATOM 0 HD3 LYS A 36 0.497 -18.398 8.997 1.00 3.32 H new ATOM 0 HE2 LYS A 36 2.615 -19.522 8.489 1.00 11.20 H new ATOM 0 HE3 LYS A 36 3.318 -18.023 7.915 1.00 11.20 H new ATOM 0 HZ1 LYS A 36 4.020 -18.520 10.152 1.00 30.21 H new ATOM 0 HZ2 LYS A 36 3.091 -17.099 10.135 1.00 30.21 H new ATOM 0 HZ3 LYS A 36 2.410 -18.551 10.691 1.00 30.21 H new ATOM 613 N ASN A 37 1.967 -13.895 4.651 1.00 21.34 N ATOM 614 CA ASN A 37 2.661 -13.024 3.650 1.00 41.10 C ATOM 615 C ASN A 37 3.461 -13.854 2.659 1.00 30.41 C ATOM 616 O ASN A 37 4.493 -13.442 2.146 1.00 2.25 O ATOM 617 CB ASN A 37 3.505 -11.873 4.299 1.00 42.23 C ATOM 618 CG ASN A 37 4.723 -12.307 5.102 1.00 63.02 C ATOM 619 OD1 ASN A 37 4.620 -12.604 6.298 1.00 64.43 O ATOM 620 ND2 ASN A 37 5.879 -12.268 4.489 1.00 15.22 N ATOM 0 H ASN A 37 1.000 -13.612 4.813 1.00 21.34 H new ATOM 0 HA ASN A 37 1.879 -12.512 3.090 1.00 41.10 H new ATOM 0 HB2 ASN A 37 3.838 -11.203 3.506 1.00 42.23 H new ATOM 0 HB3 ASN A 37 2.852 -11.295 4.952 1.00 42.23 H new ATOM 0 HD21 ASN A 37 6.735 -12.487 4.999 1.00 15.22 H new ATOM 0 HD22 ASN A 37 5.924 -12.019 3.501 1.00 15.22 H new ATOM 627 N LYS A 38 2.869 -14.964 2.287 1.00 23.05 N ATOM 628 CA LYS A 38 3.504 -15.960 1.476 1.00 71.21 C ATOM 629 C LYS A 38 3.027 -15.784 0.050 1.00 63.12 C ATOM 630 O LYS A 38 3.648 -16.235 -0.896 1.00 54.40 O ATOM 631 CB LYS A 38 3.120 -17.347 2.026 1.00 54.41 C ATOM 632 CG LYS A 38 3.738 -18.532 1.304 1.00 51.33 C ATOM 633 CD LYS A 38 3.372 -19.854 1.972 1.00 14.11 C ATOM 634 CE LYS A 38 1.872 -20.125 1.946 1.00 53.22 C ATOM 635 NZ LYS A 38 1.542 -21.399 2.607 1.00 30.43 N ATOM 0 H LYS A 38 1.912 -15.199 2.549 1.00 23.05 H new ATOM 0 HA LYS A 38 4.590 -15.864 1.496 1.00 71.21 H new ATOM 0 HB2 LYS A 38 3.407 -17.394 3.076 1.00 54.41 H new ATOM 0 HB3 LYS A 38 2.035 -17.446 1.987 1.00 54.41 H new ATOM 0 HG2 LYS A 38 3.401 -18.543 0.267 1.00 51.33 H new ATOM 0 HG3 LYS A 38 4.822 -18.422 1.286 1.00 51.33 H new ATOM 0 HD2 LYS A 38 3.894 -20.668 1.469 1.00 14.11 H new ATOM 0 HD3 LYS A 38 3.718 -19.843 3.005 1.00 14.11 H new ATOM 0 HE2 LYS A 38 1.345 -19.310 2.442 1.00 53.22 H new ATOM 0 HE3 LYS A 38 1.523 -20.149 0.914 1.00 53.22 H new ATOM 0 HZ1 LYS A 38 0.514 -21.552 2.571 1.00 30.43 H new ATOM 0 HZ2 LYS A 38 2.026 -22.179 2.118 1.00 30.43 H new ATOM 0 HZ3 LYS A 38 1.853 -21.366 3.599 1.00 30.43 H new ATOM 649 N TYR A 39 1.915 -15.098 -0.088 1.00 74.05 N ATOM 650 CA TYR A 39 1.315 -14.840 -1.381 1.00 12.53 C ATOM 651 C TYR A 39 1.826 -13.505 -1.918 1.00 13.41 C ATOM 652 O TYR A 39 1.563 -13.144 -3.071 1.00 2.12 O ATOM 653 CB TYR A 39 -0.205 -14.778 -1.183 1.00 73.50 C ATOM 654 CG TYR A 39 -1.035 -14.860 -2.434 1.00 32.23 C ATOM 655 CD1 TYR A 39 -1.289 -16.085 -3.009 1.00 62.14 C ATOM 656 CD2 TYR A 39 -1.587 -13.727 -3.024 1.00 33.20 C ATOM 657 CE1 TYR A 39 -2.066 -16.198 -4.140 1.00 3.04 C ATOM 658 CE2 TYR A 39 -2.365 -13.825 -4.161 1.00 1.32 C ATOM 659 CZ TYR A 39 -2.602 -15.066 -4.715 1.00 33.11 C ATOM 660 OH TYR A 39 -3.392 -15.183 -5.845 1.00 24.32 O ATOM 0 H TYR A 39 1.398 -14.701 0.696 1.00 74.05 H new ATOM 0 HA TYR A 39 1.572 -15.624 -2.094 1.00 12.53 H new ATOM 0 HB2 TYR A 39 -0.499 -15.593 -0.521 1.00 73.50 H new ATOM 0 HB3 TYR A 39 -0.447 -13.847 -0.670 1.00 73.50 H new ATOM 0 HD1 TYR A 39 -0.870 -16.975 -2.564 1.00 62.14 H new ATOM 0 HD2 TYR A 39 -1.404 -12.757 -2.586 1.00 33.20 H new ATOM 0 HE1 TYR A 39 -2.254 -17.169 -4.574 1.00 3.04 H new ATOM 0 HE2 TYR A 39 -2.784 -12.938 -4.612 1.00 1.32 H new ATOM 0 HH TYR A 39 -3.694 -14.294 -6.127 1.00 24.32 H new ATOM 670 N ASN A 40 2.612 -12.819 -1.074 1.00 43.42 N ATOM 671 CA ASN A 40 3.099 -11.450 -1.317 1.00 41.25 C ATOM 672 C ASN A 40 1.935 -10.473 -1.261 1.00 40.41 C ATOM 673 O ASN A 40 1.079 -10.457 -2.151 1.00 21.44 O ATOM 674 CB ASN A 40 3.868 -11.297 -2.650 1.00 44.44 C ATOM 675 CG ASN A 40 4.356 -9.869 -2.896 1.00 2.30 C ATOM 676 OD1 ASN A 40 5.464 -9.505 -2.503 1.00 64.13 O ATOM 677 ND2 ASN A 40 3.557 -9.060 -3.557 1.00 53.45 N ATOM 0 H ASN A 40 2.933 -13.206 -0.187 1.00 43.42 H new ATOM 0 HA ASN A 40 3.816 -11.225 -0.527 1.00 41.25 H new ATOM 0 HB2 ASN A 40 4.723 -11.973 -2.650 1.00 44.44 H new ATOM 0 HB3 ASN A 40 3.222 -11.601 -3.473 1.00 44.44 H new ATOM 0 HD21 ASN A 40 3.850 -8.104 -3.756 1.00 53.45 H new ATOM 0 HD22 ASN A 40 2.644 -9.389 -3.871 1.00 53.45 H new ATOM 684 N PRO A 41 1.853 -9.669 -0.205 1.00 2.41 N ATOM 685 CA PRO A 41 0.785 -8.705 -0.050 1.00 33.40 C ATOM 686 C PRO A 41 0.921 -7.540 -1.026 1.00 61.13 C ATOM 687 O PRO A 41 1.635 -6.569 -0.763 1.00 2.50 O ATOM 688 CB PRO A 41 0.908 -8.221 1.409 1.00 23.24 C ATOM 689 CG PRO A 41 1.921 -9.124 2.040 1.00 52.51 C ATOM 690 CD PRO A 41 2.787 -9.620 0.923 1.00 12.41 C ATOM 0 HA PRO A 41 -0.188 -9.146 -0.264 1.00 33.40 H new ATOM 0 HB2 PRO A 41 1.228 -7.180 1.452 1.00 23.24 H new ATOM 0 HB3 PRO A 41 -0.050 -8.282 1.926 1.00 23.24 H new ATOM 0 HG2 PRO A 41 2.512 -8.588 2.783 1.00 52.51 H new ATOM 0 HG3 PRO A 41 1.437 -9.953 2.556 1.00 52.51 H new ATOM 0 HD2 PRO A 41 3.623 -8.948 0.729 1.00 12.41 H new ATOM 0 HD3 PRO A 41 3.210 -10.600 1.142 1.00 12.41 H new ATOM 698 N SER A 42 0.322 -7.703 -2.187 1.00 32.11 N ATOM 699 CA SER A 42 0.255 -6.670 -3.187 1.00 31.54 C ATOM 700 C SER A 42 -0.589 -5.538 -2.613 1.00 35.33 C ATOM 701 O SER A 42 -1.488 -5.811 -1.810 1.00 31.14 O ATOM 702 CB SER A 42 -0.423 -7.254 -4.406 1.00 33.24 C ATOM 703 OG SER A 42 0.133 -8.528 -4.728 1.00 63.24 O ATOM 0 H SER A 42 -0.137 -8.571 -2.462 1.00 32.11 H new ATOM 0 HA SER A 42 1.242 -6.297 -3.461 1.00 31.54 H new ATOM 0 HB2 SER A 42 -1.492 -7.354 -4.221 1.00 33.24 H new ATOM 0 HB3 SER A 42 -0.308 -6.577 -5.252 1.00 33.24 H new ATOM 0 HG SER A 42 -0.319 -8.892 -5.518 1.00 63.24 H new ATOM 709 N LEU A 43 -0.356 -4.302 -3.035 1.00 41.22 N ATOM 710 CA LEU A 43 -1.023 -3.177 -2.401 1.00 3.42 C ATOM 711 C LEU A 43 -2.526 -3.228 -2.605 1.00 71.35 C ATOM 712 O LEU A 43 -3.257 -3.058 -1.656 1.00 31.14 O ATOM 713 CB LEU A 43 -0.402 -1.810 -2.811 1.00 34.44 C ATOM 714 CG LEU A 43 -0.903 -0.517 -2.067 1.00 23.40 C ATOM 715 CD1 LEU A 43 -2.246 -0.016 -2.596 1.00 22.03 C ATOM 716 CD2 LEU A 43 -0.985 -0.754 -0.544 1.00 44.53 C ATOM 0 H LEU A 43 0.276 -4.058 -3.797 1.00 41.22 H new ATOM 0 HA LEU A 43 -0.853 -3.268 -1.328 1.00 3.42 H new ATOM 0 HB2 LEU A 43 0.677 -1.878 -2.672 1.00 34.44 H new ATOM 0 HB3 LEU A 43 -0.577 -1.670 -3.878 1.00 34.44 H new ATOM 0 HG LEU A 43 -0.166 0.260 -2.268 1.00 23.40 H new ATOM 0 HD11 LEU A 43 -2.543 0.877 -2.047 1.00 22.03 H new ATOM 0 HD12 LEU A 43 -2.153 0.223 -3.655 1.00 22.03 H new ATOM 0 HD13 LEU A 43 -3.001 -0.791 -2.464 1.00 22.03 H new ATOM 0 HD21 LEU A 43 -1.334 0.154 -0.053 1.00 44.53 H new ATOM 0 HD22 LEU A 43 -1.681 -1.567 -0.339 1.00 44.53 H new ATOM 0 HD23 LEU A 43 0.002 -1.017 -0.163 1.00 44.53 H new ATOM 728 N GLN A 44 -2.983 -3.499 -3.820 1.00 2.30 N ATOM 729 CA GLN A 44 -4.420 -3.576 -4.099 1.00 25.44 C ATOM 730 C GLN A 44 -5.107 -4.606 -3.190 1.00 14.52 C ATOM 731 O GLN A 44 -6.121 -4.300 -2.549 1.00 12.34 O ATOM 732 CB GLN A 44 -4.628 -3.835 -5.616 1.00 43.20 C ATOM 733 CG GLN A 44 -6.060 -4.081 -6.108 1.00 23.12 C ATOM 734 CD GLN A 44 -6.421 -5.558 -6.160 1.00 1.11 C ATOM 735 OE1 GLN A 44 -6.930 -6.122 -5.209 1.00 21.35 O ATOM 736 NE2 GLN A 44 -6.144 -6.185 -7.278 1.00 45.30 N ATOM 0 H GLN A 44 -2.386 -3.669 -4.629 1.00 2.30 H new ATOM 0 HA GLN A 44 -4.902 -2.627 -3.864 1.00 25.44 H new ATOM 0 HB2 GLN A 44 -4.229 -2.979 -6.160 1.00 43.20 H new ATOM 0 HB3 GLN A 44 -4.025 -4.699 -5.894 1.00 43.20 H new ATOM 0 HG2 GLN A 44 -6.759 -3.564 -5.450 1.00 23.12 H new ATOM 0 HG3 GLN A 44 -6.177 -3.648 -7.101 1.00 23.12 H new ATOM 0 HE21 GLN A 44 -5.717 -5.679 -8.054 1.00 45.30 H new ATOM 0 HE22 GLN A 44 -6.355 -7.178 -7.371 1.00 45.30 H new ATOM 745 N LEU A 45 -4.517 -5.789 -3.095 1.00 33.52 N ATOM 746 CA LEU A 45 -5.033 -6.846 -2.226 1.00 33.42 C ATOM 747 C LEU A 45 -4.971 -6.435 -0.756 1.00 12.12 C ATOM 748 O LEU A 45 -5.967 -6.509 -0.045 1.00 53.21 O ATOM 749 CB LEU A 45 -4.283 -8.189 -2.430 1.00 75.22 C ATOM 750 CG LEU A 45 -4.531 -8.969 -3.743 1.00 12.11 C ATOM 751 CD1 LEU A 45 -6.011 -9.250 -3.942 1.00 72.44 C ATOM 752 CD2 LEU A 45 -3.934 -8.267 -4.958 1.00 1.23 C ATOM 0 H LEU A 45 -3.675 -6.045 -3.611 1.00 33.52 H new ATOM 0 HA LEU A 45 -6.075 -6.996 -2.507 1.00 33.42 H new ATOM 0 HB2 LEU A 45 -3.214 -7.988 -2.358 1.00 75.22 H new ATOM 0 HB3 LEU A 45 -4.541 -8.845 -1.599 1.00 75.22 H new ATOM 0 HG LEU A 45 -4.014 -9.924 -3.646 1.00 12.11 H new ATOM 0 HD11 LEU A 45 -6.155 -9.799 -4.872 1.00 72.44 H new ATOM 0 HD12 LEU A 45 -6.384 -9.845 -3.108 1.00 72.44 H new ATOM 0 HD13 LEU A 45 -6.557 -8.308 -3.988 1.00 72.44 H new ATOM 0 HD21 LEU A 45 -4.136 -8.855 -5.853 1.00 1.23 H new ATOM 0 HD22 LEU A 45 -4.382 -7.279 -5.064 1.00 1.23 H new ATOM 0 HD23 LEU A 45 -2.857 -8.165 -4.826 1.00 1.23 H new ATOM 764 N ALA A 46 -3.822 -5.932 -0.341 1.00 72.35 N ATOM 765 CA ALA A 46 -3.586 -5.553 1.050 1.00 41.10 C ATOM 766 C ALA A 46 -4.507 -4.421 1.478 1.00 44.34 C ATOM 767 O ALA A 46 -5.038 -4.425 2.588 1.00 24.52 O ATOM 768 CB ALA A 46 -2.132 -5.164 1.265 1.00 4.33 C ATOM 0 H ALA A 46 -3.023 -5.773 -0.955 1.00 72.35 H new ATOM 0 HA ALA A 46 -3.808 -6.421 1.670 1.00 41.10 H new ATOM 0 HB1 ALA A 46 -1.980 -4.886 2.308 1.00 4.33 H new ATOM 0 HB2 ALA A 46 -1.489 -6.009 1.018 1.00 4.33 H new ATOM 0 HB3 ALA A 46 -1.883 -4.318 0.624 1.00 4.33 H new ATOM 774 N LEU A 47 -4.714 -3.477 0.583 1.00 33.43 N ATOM 775 CA LEU A 47 -5.519 -2.315 0.853 1.00 23.45 C ATOM 776 C LEU A 47 -6.978 -2.685 1.030 1.00 50.21 C ATOM 777 O LEU A 47 -7.641 -2.168 1.920 1.00 21.23 O ATOM 778 CB LEU A 47 -5.314 -1.246 -0.254 1.00 32.41 C ATOM 779 CG LEU A 47 -6.049 0.103 -0.108 1.00 61.44 C ATOM 780 CD1 LEU A 47 -7.515 0.013 -0.538 1.00 11.43 C ATOM 781 CD2 LEU A 47 -5.943 0.596 1.329 1.00 70.53 C ATOM 0 H LEU A 47 -4.323 -3.500 -0.359 1.00 33.43 H new ATOM 0 HA LEU A 47 -5.192 -1.878 1.797 1.00 23.45 H new ATOM 0 HB2 LEU A 47 -4.246 -1.038 -0.323 1.00 32.41 H new ATOM 0 HB3 LEU A 47 -5.614 -1.688 -1.204 1.00 32.41 H new ATOM 0 HG LEU A 47 -5.566 0.818 -0.774 1.00 61.44 H new ATOM 0 HD11 LEU A 47 -7.990 0.987 -0.417 1.00 11.43 H new ATOM 0 HD12 LEU A 47 -7.570 -0.290 -1.584 1.00 11.43 H new ATOM 0 HD13 LEU A 47 -8.031 -0.722 0.080 1.00 11.43 H new ATOM 0 HD21 LEU A 47 -6.464 1.549 1.426 1.00 70.53 H new ATOM 0 HD22 LEU A 47 -6.396 -0.135 1.999 1.00 70.53 H new ATOM 0 HD23 LEU A 47 -4.893 0.728 1.592 1.00 70.53 H new ATOM 793 N LYS A 48 -7.490 -3.571 0.206 1.00 52.33 N ATOM 794 CA LYS A 48 -8.876 -3.938 0.363 1.00 54.10 C ATOM 795 C LYS A 48 -9.097 -4.698 1.661 1.00 25.41 C ATOM 796 O LYS A 48 -10.107 -4.506 2.324 1.00 42.33 O ATOM 797 CB LYS A 48 -9.481 -4.620 -0.870 1.00 63.32 C ATOM 798 CG LYS A 48 -8.746 -5.842 -1.376 1.00 23.52 C ATOM 799 CD LYS A 48 -9.456 -6.446 -2.571 1.00 64.34 C ATOM 800 CE LYS A 48 -9.543 -5.465 -3.731 1.00 3.10 C ATOM 801 NZ LYS A 48 -10.201 -6.064 -4.901 1.00 33.32 N ATOM 0 H LYS A 48 -6.989 -4.035 -0.552 1.00 52.33 H new ATOM 0 HA LYS A 48 -9.442 -3.010 0.443 1.00 54.10 H new ATOM 0 HB2 LYS A 48 -10.506 -4.907 -0.636 1.00 63.32 H new ATOM 0 HB3 LYS A 48 -9.531 -3.890 -1.678 1.00 63.32 H new ATOM 0 HG2 LYS A 48 -7.728 -5.570 -1.653 1.00 23.52 H new ATOM 0 HG3 LYS A 48 -8.673 -6.582 -0.580 1.00 23.52 H new ATOM 0 HD2 LYS A 48 -8.927 -7.343 -2.893 1.00 64.34 H new ATOM 0 HD3 LYS A 48 -10.460 -6.755 -2.280 1.00 64.34 H new ATOM 0 HE2 LYS A 48 -10.094 -4.579 -3.417 1.00 3.10 H new ATOM 0 HE3 LYS A 48 -8.541 -5.136 -4.006 1.00 3.10 H new ATOM 0 HZ1 LYS A 48 -10.242 -5.366 -5.671 1.00 33.32 H new ATOM 0 HZ2 LYS A 48 -9.661 -6.895 -5.215 1.00 33.32 H new ATOM 0 HZ3 LYS A 48 -11.166 -6.355 -4.645 1.00 33.32 H new ATOM 815 N ILE A 49 -8.118 -5.507 2.053 1.00 54.11 N ATOM 816 CA ILE A 49 -8.169 -6.191 3.346 1.00 1.24 C ATOM 817 C ILE A 49 -8.208 -5.132 4.453 1.00 2.41 C ATOM 818 O ILE A 49 -9.038 -5.190 5.357 1.00 64.12 O ATOM 819 CB ILE A 49 -6.922 -7.088 3.576 1.00 62.52 C ATOM 820 CG1 ILE A 49 -6.757 -8.077 2.430 1.00 62.35 C ATOM 821 CG2 ILE A 49 -7.056 -7.843 4.891 1.00 5.22 C ATOM 822 CD1 ILE A 49 -5.489 -8.892 2.489 1.00 35.31 C ATOM 0 H ILE A 49 -7.284 -5.706 1.500 1.00 54.11 H new ATOM 0 HA ILE A 49 -9.056 -6.825 3.360 1.00 1.24 H new ATOM 0 HB ILE A 49 -6.041 -6.448 3.617 1.00 62.52 H new ATOM 0 HG12 ILE A 49 -7.611 -8.755 2.425 1.00 62.35 H new ATOM 0 HG13 ILE A 49 -6.779 -7.530 1.488 1.00 62.35 H new ATOM 0 HG21 ILE A 49 -6.177 -8.469 5.042 1.00 5.22 H new ATOM 0 HG22 ILE A 49 -7.141 -7.131 5.712 1.00 5.22 H new ATOM 0 HG23 ILE A 49 -7.947 -8.470 4.861 1.00 5.22 H new ATOM 0 HD11 ILE A 49 -5.452 -9.570 1.636 1.00 35.31 H new ATOM 0 HD12 ILE A 49 -4.627 -8.226 2.461 1.00 35.31 H new ATOM 0 HD13 ILE A 49 -5.471 -9.470 3.413 1.00 35.31 H new ATOM 834 N ALA A 50 -7.363 -4.124 4.292 1.00 44.20 N ATOM 835 CA ALA A 50 -7.229 -3.022 5.236 1.00 11.21 C ATOM 836 C ALA A 50 -8.522 -2.256 5.366 1.00 70.10 C ATOM 837 O ALA A 50 -8.951 -1.911 6.458 1.00 34.45 O ATOM 838 CB ALA A 50 -6.160 -2.069 4.753 1.00 53.40 C ATOM 0 H ALA A 50 -6.740 -4.047 3.488 1.00 44.20 H new ATOM 0 HA ALA A 50 -6.963 -3.443 6.206 1.00 11.21 H new ATOM 0 HB1 ALA A 50 -6.061 -1.245 5.460 1.00 53.40 H new ATOM 0 HB2 ALA A 50 -5.210 -2.597 4.676 1.00 53.40 H new ATOM 0 HB3 ALA A 50 -6.438 -1.676 3.775 1.00 53.40 H new ATOM 844 N TYR A 51 -9.124 -1.993 4.244 1.00 50.04 N ATOM 845 CA TYR A 51 -10.324 -1.234 4.178 1.00 11.22 C ATOM 846 C TYR A 51 -11.524 -2.003 4.753 1.00 40.54 C ATOM 847 O TYR A 51 -12.315 -1.441 5.502 1.00 51.22 O ATOM 848 CB TYR A 51 -10.573 -0.787 2.737 1.00 31.54 C ATOM 849 CG TYR A 51 -11.811 0.030 2.565 1.00 42.44 C ATOM 850 CD1 TYR A 51 -11.800 1.405 2.751 1.00 73.13 C ATOM 851 CD2 TYR A 51 -12.993 -0.577 2.229 1.00 52.31 C ATOM 852 CE1 TYR A 51 -12.946 2.145 2.602 1.00 33.41 C ATOM 853 CE2 TYR A 51 -14.148 0.150 2.077 1.00 14.05 C ATOM 854 CZ TYR A 51 -14.121 1.512 2.267 1.00 45.04 C ATOM 855 OH TYR A 51 -15.262 2.242 2.110 1.00 12.24 O ATOM 0 H TYR A 51 -8.783 -2.309 3.336 1.00 50.04 H new ATOM 0 HA TYR A 51 -10.205 -0.348 4.801 1.00 11.22 H new ATOM 0 HB2 TYR A 51 -9.716 -0.208 2.393 1.00 31.54 H new ATOM 0 HB3 TYR A 51 -10.639 -1.668 2.099 1.00 31.54 H new ATOM 0 HD1 TYR A 51 -10.877 1.899 3.017 1.00 73.13 H new ATOM 0 HD2 TYR A 51 -13.016 -1.647 2.081 1.00 52.31 H new ATOM 0 HE1 TYR A 51 -12.926 3.215 2.746 1.00 33.41 H new ATOM 0 HE2 TYR A 51 -15.071 -0.344 1.810 1.00 14.05 H new ATOM 0 HH TYR A 51 -16.002 1.645 1.873 1.00 12.24 H new ATOM 865 N TYR A 52 -11.663 -3.275 4.403 1.00 52.41 N ATOM 866 CA TYR A 52 -12.780 -4.086 4.905 1.00 3.45 C ATOM 867 C TYR A 52 -12.633 -4.440 6.395 1.00 25.43 C ATOM 868 O TYR A 52 -13.622 -4.662 7.091 1.00 40.30 O ATOM 869 CB TYR A 52 -13.085 -5.301 4.010 1.00 51.32 C ATOM 870 CG TYR A 52 -13.677 -4.911 2.652 1.00 74.11 C ATOM 871 CD1 TYR A 52 -15.026 -4.610 2.521 1.00 25.42 C ATOM 872 CD2 TYR A 52 -12.890 -4.835 1.518 1.00 1.22 C ATOM 873 CE1 TYR A 52 -15.563 -4.242 1.297 1.00 72.42 C ATOM 874 CE2 TYR A 52 -13.413 -4.474 0.296 1.00 0.00 C ATOM 875 CZ TYR A 52 -14.748 -4.177 0.188 1.00 75.33 C ATOM 876 OH TYR A 52 -15.270 -3.799 -1.039 1.00 10.50 O ATOM 0 H TYR A 52 -11.026 -3.770 3.779 1.00 52.41 H new ATOM 0 HA TYR A 52 -13.667 -3.456 4.844 1.00 3.45 H new ATOM 0 HB2 TYR A 52 -12.167 -5.867 3.851 1.00 51.32 H new ATOM 0 HB3 TYR A 52 -13.781 -5.961 4.528 1.00 51.32 H new ATOM 0 HD1 TYR A 52 -15.668 -4.663 3.388 1.00 25.42 H new ATOM 0 HD2 TYR A 52 -11.837 -5.065 1.592 1.00 1.22 H new ATOM 0 HE1 TYR A 52 -16.614 -4.008 1.213 1.00 72.42 H new ATOM 0 HE2 TYR A 52 -12.775 -4.425 -0.574 1.00 0.00 H new ATOM 0 HH TYR A 52 -14.559 -3.805 -1.713 1.00 10.50 H new ATOM 886 N LEU A 53 -11.396 -4.512 6.858 1.00 43.52 N ATOM 887 CA LEU A 53 -11.109 -4.681 8.297 1.00 35.04 C ATOM 888 C LEU A 53 -11.167 -3.324 8.994 1.00 52.42 C ATOM 889 O LEU A 53 -11.189 -3.235 10.236 1.00 34.31 O ATOM 890 CB LEU A 53 -9.727 -5.302 8.523 1.00 34.25 C ATOM 891 CG LEU A 53 -9.552 -6.758 8.104 1.00 75.05 C ATOM 892 CD1 LEU A 53 -8.105 -7.176 8.275 1.00 73.24 C ATOM 893 CD2 LEU A 53 -10.450 -7.651 8.941 1.00 30.33 C ATOM 0 H LEU A 53 -10.565 -4.457 6.268 1.00 43.52 H new ATOM 0 HA LEU A 53 -11.861 -5.352 8.712 1.00 35.04 H new ATOM 0 HB2 LEU A 53 -8.993 -4.703 7.985 1.00 34.25 H new ATOM 0 HB3 LEU A 53 -9.488 -5.222 9.583 1.00 34.25 H new ATOM 0 HG LEU A 53 -9.829 -6.859 7.055 1.00 75.05 H new ATOM 0 HD11 LEU A 53 -7.989 -8.217 7.974 1.00 73.24 H new ATOM 0 HD12 LEU A 53 -7.468 -6.545 7.654 1.00 73.24 H new ATOM 0 HD13 LEU A 53 -7.816 -7.067 9.320 1.00 73.24 H new ATOM 0 HD21 LEU A 53 -10.318 -8.689 8.635 1.00 30.33 H new ATOM 0 HD22 LEU A 53 -10.187 -7.547 9.994 1.00 30.33 H new ATOM 0 HD23 LEU A 53 -11.490 -7.359 8.796 1.00 30.33 H new ATOM 904 N ASN A 54 -11.232 -2.292 8.168 1.00 23.44 N ATOM 905 CA ASN A 54 -11.224 -0.882 8.549 1.00 34.54 C ATOM 906 C ASN A 54 -10.056 -0.580 9.492 1.00 23.31 C ATOM 907 O ASN A 54 -10.219 -0.491 10.716 1.00 53.04 O ATOM 908 CB ASN A 54 -12.579 -0.444 9.141 1.00 0.13 C ATOM 909 CG ASN A 54 -12.766 1.069 9.199 1.00 2.32 C ATOM 910 OD1 ASN A 54 -11.815 1.838 9.328 1.00 41.33 O ATOM 911 ND2 ASN A 54 -14.001 1.508 9.136 1.00 61.11 N ATOM 0 H ASN A 54 -11.295 -2.419 7.158 1.00 23.44 H new ATOM 0 HA ASN A 54 -11.076 -0.290 7.646 1.00 34.54 H new ATOM 0 HB2 ASN A 54 -13.382 -0.877 8.545 1.00 0.13 H new ATOM 0 HB3 ASN A 54 -12.674 -0.851 10.148 1.00 0.13 H new ATOM 0 HD21 ASN A 54 -14.190 2.509 9.194 1.00 61.11 H new ATOM 0 HD22 ASN A 54 -14.772 0.849 9.029 1.00 61.11 H new ATOM 918 N THR A 55 -8.872 -0.556 8.936 1.00 45.02 N ATOM 919 CA THR A 55 -7.657 -0.288 9.667 1.00 24.13 C ATOM 920 C THR A 55 -6.600 0.274 8.703 1.00 75.14 C ATOM 921 O THR A 55 -6.516 -0.177 7.558 1.00 45.22 O ATOM 922 CB THR A 55 -7.134 -1.604 10.329 1.00 33.24 C ATOM 923 OG1 THR A 55 -8.085 -2.076 11.303 1.00 22.11 O ATOM 924 CG2 THR A 55 -5.793 -1.406 10.999 1.00 53.13 C ATOM 0 H THR A 55 -8.721 -0.726 7.942 1.00 45.02 H new ATOM 0 HA THR A 55 -7.856 0.443 10.451 1.00 24.13 H new ATOM 0 HB THR A 55 -7.011 -2.340 9.535 1.00 33.24 H new ATOM 0 HG1 THR A 55 -8.869 -1.488 11.306 1.00 22.11 H new ATOM 0 HG21 THR A 55 -5.467 -2.345 11.446 1.00 53.13 H new ATOM 0 HG22 THR A 55 -5.061 -1.083 10.259 1.00 53.13 H new ATOM 0 HG23 THR A 55 -5.883 -0.647 11.776 1.00 53.13 H new ATOM 932 N PRO A 56 -5.820 1.296 9.126 1.00 2.53 N ATOM 933 CA PRO A 56 -4.752 1.843 8.310 1.00 62.14 C ATOM 934 C PRO A 56 -3.650 0.807 8.069 1.00 22.43 C ATOM 935 O PRO A 56 -3.390 -0.066 8.923 1.00 73.34 O ATOM 936 CB PRO A 56 -4.210 3.021 9.133 1.00 52.13 C ATOM 937 CG PRO A 56 -4.644 2.754 10.528 1.00 3.21 C ATOM 938 CD PRO A 56 -5.931 1.992 10.428 1.00 22.03 C ATOM 0 HA PRO A 56 -5.105 2.143 7.323 1.00 62.14 H new ATOM 0 HB2 PRO A 56 -3.124 3.083 9.064 1.00 52.13 H new ATOM 0 HB3 PRO A 56 -4.607 3.970 8.772 1.00 52.13 H new ATOM 0 HG2 PRO A 56 -3.891 2.178 11.066 1.00 3.21 H new ATOM 0 HG3 PRO A 56 -4.785 3.685 11.077 1.00 3.21 H new ATOM 0 HD2 PRO A 56 -6.045 1.287 11.252 1.00 22.03 H new ATOM 0 HD3 PRO A 56 -6.794 2.657 10.455 1.00 22.03 H new ATOM 946 N LEU A 57 -3.006 0.930 6.924 1.00 62.42 N ATOM 947 CA LEU A 57 -1.959 0.012 6.472 1.00 13.13 C ATOM 948 C LEU A 57 -0.860 -0.156 7.494 1.00 71.12 C ATOM 949 O LEU A 57 -0.384 -1.267 7.707 1.00 53.41 O ATOM 950 CB LEU A 57 -1.326 0.478 5.133 1.00 34.12 C ATOM 951 CG LEU A 57 -2.203 0.444 3.865 1.00 42.20 C ATOM 952 CD1 LEU A 57 -2.785 -0.939 3.687 1.00 13.21 C ATOM 953 CD2 LEU A 57 -3.307 1.495 3.894 1.00 35.04 C ATOM 0 H LEU A 57 -3.194 1.684 6.263 1.00 62.42 H new ATOM 0 HA LEU A 57 -2.454 -0.948 6.327 1.00 13.13 H new ATOM 0 HB2 LEU A 57 -0.975 1.501 5.268 1.00 34.12 H new ATOM 0 HB3 LEU A 57 -0.447 -0.139 4.947 1.00 34.12 H new ATOM 0 HG LEU A 57 -1.567 0.684 3.013 1.00 42.20 H new ATOM 0 HD11 LEU A 57 -3.404 -0.960 2.790 1.00 13.21 H new ATOM 0 HD12 LEU A 57 -1.977 -1.664 3.587 1.00 13.21 H new ATOM 0 HD13 LEU A 57 -3.394 -1.192 4.555 1.00 13.21 H new ATOM 0 HD21 LEU A 57 -3.896 1.429 2.979 1.00 35.04 H new ATOM 0 HD22 LEU A 57 -3.953 1.321 4.755 1.00 35.04 H new ATOM 0 HD23 LEU A 57 -2.863 2.487 3.969 1.00 35.04 H new ATOM 964 N GLU A 58 -0.498 0.932 8.140 1.00 41.15 N ATOM 965 CA GLU A 58 0.591 0.954 9.124 1.00 25.13 C ATOM 966 C GLU A 58 0.341 -0.008 10.280 1.00 23.31 C ATOM 967 O GLU A 58 1.280 -0.580 10.828 1.00 41.22 O ATOM 968 CB GLU A 58 0.809 2.354 9.725 1.00 25.40 C ATOM 969 CG GLU A 58 0.774 3.523 8.754 1.00 63.30 C ATOM 970 CD GLU A 58 -0.632 3.988 8.484 1.00 34.03 C ATOM 971 OE1 GLU A 58 -1.153 4.797 9.271 1.00 53.22 O ATOM 972 OE2 GLU A 58 -1.243 3.539 7.492 1.00 71.30 O ATOM 0 H GLU A 58 -0.947 1.838 8.004 1.00 41.15 H new ATOM 0 HA GLU A 58 1.478 0.648 8.569 1.00 25.13 H new ATOM 0 HB2 GLU A 58 0.047 2.520 10.487 1.00 25.40 H new ATOM 0 HB3 GLU A 58 1.774 2.361 10.232 1.00 25.40 H new ATOM 0 HG2 GLU A 58 1.358 4.349 9.160 1.00 63.30 H new ATOM 0 HG3 GLU A 58 1.246 3.230 7.816 1.00 63.30 H new ATOM 979 N ASP A 59 -0.907 -0.143 10.693 1.00 34.01 N ATOM 980 CA ASP A 59 -1.235 -1.035 11.800 1.00 63.41 C ATOM 981 C ASP A 59 -1.117 -2.492 11.366 1.00 42.14 C ATOM 982 O ASP A 59 -0.561 -3.339 12.084 1.00 72.41 O ATOM 983 CB ASP A 59 -2.629 -0.724 12.387 1.00 22.41 C ATOM 984 CG ASP A 59 -2.950 -1.533 13.648 1.00 52.54 C ATOM 985 OD1 ASP A 59 -2.068 -1.657 14.530 1.00 60.45 O ATOM 986 OD2 ASP A 59 -4.097 -2.010 13.808 1.00 14.52 O ATOM 0 H ASP A 59 -1.705 0.346 10.286 1.00 34.01 H new ATOM 0 HA ASP A 59 -0.513 -0.863 12.598 1.00 63.41 H new ATOM 0 HB2 ASP A 59 -2.688 0.339 12.621 1.00 22.41 H new ATOM 0 HB3 ASP A 59 -3.387 -0.927 11.631 1.00 22.41 H new ATOM 991 N ILE A 60 -1.598 -2.754 10.161 1.00 25.13 N ATOM 992 CA ILE A 60 -1.648 -4.100 9.595 1.00 73.13 C ATOM 993 C ILE A 60 -0.260 -4.607 9.216 1.00 51.12 C ATOM 994 O ILE A 60 0.117 -5.729 9.546 1.00 44.15 O ATOM 995 CB ILE A 60 -2.600 -4.180 8.379 1.00 50.03 C ATOM 996 CG1 ILE A 60 -3.986 -3.681 8.787 1.00 75.01 C ATOM 997 CG2 ILE A 60 -2.684 -5.614 7.863 1.00 14.41 C ATOM 998 CD1 ILE A 60 -5.020 -3.744 7.699 1.00 50.54 C ATOM 0 H ILE A 60 -1.969 -2.035 9.540 1.00 25.13 H new ATOM 0 HA ILE A 60 -2.044 -4.748 10.376 1.00 73.13 H new ATOM 0 HB ILE A 60 -2.212 -3.551 7.578 1.00 50.03 H new ATOM 0 HG12 ILE A 60 -4.334 -4.270 9.635 1.00 75.01 H new ATOM 0 HG13 ILE A 60 -3.900 -2.650 9.129 1.00 75.01 H new ATOM 0 HG21 ILE A 60 -3.358 -5.654 7.007 1.00 14.41 H new ATOM 0 HG22 ILE A 60 -1.692 -5.950 7.560 1.00 14.41 H new ATOM 0 HG23 ILE A 60 -3.062 -6.263 8.653 1.00 14.41 H new ATOM 0 HD11 ILE A 60 -5.971 -3.370 8.079 1.00 50.54 H new ATOM 0 HD12 ILE A 60 -4.700 -3.131 6.857 1.00 50.54 H new ATOM 0 HD13 ILE A 60 -5.141 -4.776 7.371 1.00 50.54 H new ATOM 1010 N PHE A 61 0.474 -3.810 8.502 1.00 35.15 N ATOM 1011 CA PHE A 61 1.798 -4.198 8.126 1.00 22.52 C ATOM 1012 C PHE A 61 2.808 -3.246 8.689 1.00 61.31 C ATOM 1013 O PHE A 61 2.596 -2.031 8.721 1.00 64.35 O ATOM 1014 CB PHE A 61 1.940 -4.325 6.590 1.00 0.12 C ATOM 1015 CG PHE A 61 1.103 -5.429 6.000 1.00 21.33 C ATOM 1016 CD1 PHE A 61 1.451 -6.756 6.197 1.00 71.31 C ATOM 1017 CD2 PHE A 61 -0.026 -5.141 5.251 1.00 50.52 C ATOM 1018 CE1 PHE A 61 0.688 -7.774 5.662 1.00 50.13 C ATOM 1019 CE2 PHE A 61 -0.793 -6.156 4.712 1.00 53.10 C ATOM 1020 CZ PHE A 61 -0.435 -7.474 4.919 1.00 22.32 C ATOM 0 H PHE A 61 0.181 -2.891 8.169 1.00 35.15 H new ATOM 0 HA PHE A 61 1.989 -5.184 8.549 1.00 22.52 H new ATOM 0 HB2 PHE A 61 1.658 -3.379 6.127 1.00 0.12 H new ATOM 0 HB3 PHE A 61 2.987 -4.501 6.343 1.00 0.12 H new ATOM 0 HD1 PHE A 61 2.330 -6.996 6.776 1.00 71.31 H new ATOM 0 HD2 PHE A 61 -0.310 -4.112 5.087 1.00 50.52 H new ATOM 0 HE1 PHE A 61 0.970 -8.804 5.825 1.00 50.13 H new ATOM 0 HE2 PHE A 61 -1.671 -5.919 4.130 1.00 53.10 H new ATOM 0 HZ PHE A 61 -1.034 -8.269 4.500 1.00 22.32 H new ATOM 1030 N GLN A 62 3.897 -3.785 9.128 1.00 72.24 N ATOM 1031 CA GLN A 62 4.955 -2.994 9.637 1.00 2.15 C ATOM 1032 C GLN A 62 6.076 -3.126 8.649 1.00 41.21 C ATOM 1033 O GLN A 62 6.473 -4.242 8.286 1.00 54.12 O ATOM 1034 CB GLN A 62 5.348 -3.462 11.055 1.00 43.12 C ATOM 1035 CG GLN A 62 6.158 -2.447 11.874 1.00 54.21 C ATOM 1036 CD GLN A 62 7.583 -2.238 11.406 1.00 62.30 C ATOM 1037 OE1 GLN A 62 8.230 -3.144 10.899 1.00 51.34 O ATOM 1038 NE2 GLN A 62 8.075 -1.041 11.566 1.00 41.41 N ATOM 0 H GLN A 62 4.074 -4.790 9.142 1.00 72.24 H new ATOM 0 HA GLN A 62 4.674 -1.947 9.747 1.00 2.15 H new ATOM 0 HB2 GLN A 62 4.439 -3.707 11.605 1.00 43.12 H new ATOM 0 HB3 GLN A 62 5.927 -4.382 10.970 1.00 43.12 H new ATOM 0 HG2 GLN A 62 5.640 -1.488 11.851 1.00 54.21 H new ATOM 0 HG3 GLN A 62 6.177 -2.774 12.914 1.00 54.21 H new ATOM 0 HE21 GLN A 62 7.507 -0.309 11.993 1.00 41.41 H new ATOM 0 HE22 GLN A 62 9.028 -0.837 11.264 1.00 41.41 H new ATOM 1047 N TRP A 63 6.549 -2.026 8.180 1.00 13.44 N ATOM 1048 CA TRP A 63 7.548 -2.033 7.167 1.00 61.35 C ATOM 1049 C TRP A 63 8.841 -1.414 7.613 1.00 61.52 C ATOM 1050 O TRP A 63 8.864 -0.335 8.223 1.00 24.43 O ATOM 1051 CB TRP A 63 7.026 -1.381 5.882 1.00 14.01 C ATOM 1052 CG TRP A 63 6.335 -0.051 6.076 1.00 34.23 C ATOM 1053 CD1 TRP A 63 6.916 1.177 6.254 1.00 3.21 C ATOM 1054 CD2 TRP A 63 4.921 0.175 6.069 1.00 53.32 C ATOM 1055 NE1 TRP A 63 5.945 2.140 6.376 1.00 11.14 N ATOM 1056 CE2 TRP A 63 4.716 1.552 6.263 1.00 74.31 C ATOM 1057 CE3 TRP A 63 3.810 -0.658 5.919 1.00 30.24 C ATOM 1058 CZ2 TRP A 63 3.444 2.115 6.311 1.00 33.44 C ATOM 1059 CZ3 TRP A 63 2.553 -0.099 5.966 1.00 3.40 C ATOM 1060 CH2 TRP A 63 2.379 1.275 6.160 1.00 31.53 C ATOM 0 H TRP A 63 6.257 -1.098 8.485 1.00 13.44 H new ATOM 0 HA TRP A 63 7.773 -3.078 6.955 1.00 61.35 H new ATOM 0 HB2 TRP A 63 7.862 -1.242 5.197 1.00 14.01 H new ATOM 0 HB3 TRP A 63 6.330 -2.068 5.400 1.00 14.01 H new ATOM 0 HD1 TRP A 63 7.980 1.360 6.293 1.00 3.21 H new ATOM 0 HE1 TRP A 63 6.114 3.135 6.527 1.00 11.14 H new ATOM 0 HE3 TRP A 63 3.935 -1.720 5.769 1.00 30.24 H new ATOM 0 HZ2 TRP A 63 3.305 3.175 6.462 1.00 33.44 H new ATOM 0 HZ3 TRP A 63 1.686 -0.733 5.851 1.00 3.40 H new ATOM 0 HH2 TRP A 63 1.379 1.681 6.191 1.00 31.53 H new ATOM 1071 N GLN A 64 9.911 -2.105 7.333 1.00 35.50 N ATOM 1072 CA GLN A 64 11.237 -1.612 7.580 1.00 11.44 C ATOM 1073 C GLN A 64 12.055 -1.719 6.298 1.00 30.22 C ATOM 1074 O GLN A 64 12.822 -2.668 6.122 1.00 33.31 O ATOM 1075 CB GLN A 64 11.912 -2.394 8.716 1.00 44.22 C ATOM 1076 CG GLN A 64 11.221 -2.251 10.058 1.00 32.13 C ATOM 1077 CD GLN A 64 11.403 -0.878 10.682 1.00 24.43 C ATOM 1078 OE1 GLN A 64 11.580 0.127 9.994 1.00 13.50 O ATOM 1079 NE2 GLN A 64 11.302 -0.813 11.977 1.00 53.21 N ATOM 0 H GLN A 64 9.886 -3.038 6.922 1.00 35.50 H new ATOM 0 HA GLN A 64 11.177 -0.568 7.889 1.00 11.44 H new ATOM 0 HB2 GLN A 64 11.946 -3.450 8.447 1.00 44.22 H new ATOM 0 HB3 GLN A 64 12.944 -2.057 8.812 1.00 44.22 H new ATOM 0 HG2 GLN A 64 10.156 -2.448 9.934 1.00 32.13 H new ATOM 0 HG3 GLN A 64 11.608 -3.007 10.741 1.00 32.13 H new ATOM 0 HE21 GLN A 64 11.155 -1.664 12.520 1.00 53.21 H new ATOM 0 HE22 GLN A 64 11.369 0.089 12.449 1.00 53.21 H new ATOM 1088 N PRO A 65 11.831 -0.811 5.328 1.00 63.05 N ATOM 1089 CA PRO A 65 12.579 -0.820 4.087 1.00 13.14 C ATOM 1090 C PRO A 65 13.943 -0.164 4.277 1.00 44.11 C ATOM 1091 O PRO A 65 14.930 -0.535 3.632 1.00 4.41 O ATOM 1092 CB PRO A 65 11.708 0.012 3.116 1.00 11.15 C ATOM 1093 CG PRO A 65 10.497 0.443 3.900 1.00 34.32 C ATOM 1094 CD PRO A 65 10.832 0.271 5.351 1.00 62.43 C ATOM 0 HA PRO A 65 12.771 -1.829 3.721 1.00 13.14 H new ATOM 0 HB2 PRO A 65 12.258 0.876 2.743 1.00 11.15 H new ATOM 0 HB3 PRO A 65 11.419 -0.580 2.248 1.00 11.15 H new ATOM 0 HG2 PRO A 65 10.246 1.481 3.682 1.00 34.32 H new ATOM 0 HG3 PRO A 65 9.629 -0.158 3.630 1.00 34.32 H new ATOM 0 HD2 PRO A 65 11.236 1.186 5.784 1.00 62.43 H new ATOM 0 HD3 PRO A 65 9.955 -0.000 5.939 1.00 62.43 H new ATOM 1102 N GLU A 66 13.973 0.804 5.154 1.00 22.55 N ATOM 1103 CA GLU A 66 15.160 1.540 5.476 1.00 60.44 C ATOM 1104 C GLU A 66 15.608 1.171 6.879 1.00 3.22 C ATOM 1105 O GLU A 66 16.429 0.239 7.022 1.00 11.44 O ATOM 1106 CB GLU A 66 14.876 3.037 5.372 1.00 14.51 C ATOM 1107 CG GLU A 66 14.485 3.509 3.975 1.00 33.32 C ATOM 1108 CD GLU A 66 15.613 3.400 2.974 1.00 75.24 C ATOM 1109 OE1 GLU A 66 16.469 4.319 2.934 1.00 31.01 O ATOM 1110 OE2 GLU A 66 15.645 2.436 2.179 1.00 24.43 O ATOM 1111 OXT GLU A 66 15.106 1.775 7.853 1.00 0.00 O ATOM 0 H GLU A 66 13.151 1.108 5.675 1.00 22.55 H new ATOM 0 HA GLU A 66 15.958 1.292 4.776 1.00 60.44 H new ATOM 0 HB2 GLU A 66 14.075 3.291 6.066 1.00 14.51 H new ATOM 0 HB3 GLU A 66 15.762 3.586 5.693 1.00 14.51 H new ATOM 0 HG2 GLU A 66 13.637 2.921 3.623 1.00 33.32 H new ATOM 0 HG3 GLU A 66 14.153 4.546 4.028 1.00 33.32 H new ATOM 1119 N MET B 67 -12.320 1.902 -7.393 1.00 4.52 N ATOM 1120 CA MET B 67 -11.614 2.948 -8.130 1.00 15.43 C ATOM 1121 C MET B 67 -10.445 3.471 -7.324 1.00 54.41 C ATOM 1122 O MET B 67 -10.559 3.691 -6.116 1.00 33.23 O ATOM 1123 CB MET B 67 -12.565 4.099 -8.510 1.00 32.24 C ATOM 1124 CG MET B 67 -11.891 5.241 -9.260 1.00 0.23 C ATOM 1125 SD MET B 67 -11.053 4.687 -10.763 1.00 54.32 S ATOM 1126 CE MET B 67 -10.354 6.237 -11.342 1.00 74.51 C ATOM 0 HA MET B 67 -11.232 2.509 -9.051 1.00 15.43 H new ATOM 0 HB2 MET B 67 -13.372 3.701 -9.125 1.00 32.24 H new ATOM 0 HB3 MET B 67 -13.021 4.494 -7.602 1.00 32.24 H new ATOM 0 HG2 MET B 67 -12.638 5.991 -9.520 1.00 0.23 H new ATOM 0 HG3 MET B 67 -11.169 5.726 -8.603 1.00 0.23 H new ATOM 0 HE1 MET B 67 -9.730 6.051 -12.216 1.00 74.51 H new ATOM 0 HE2 MET B 67 -11.159 6.921 -11.610 1.00 74.51 H new ATOM 0 HE3 MET B 67 -9.748 6.681 -10.552 1.00 74.51 H new ATOM 1138 N ILE B 68 -9.325 3.662 -7.987 1.00 22.43 N ATOM 1139 CA ILE B 68 -8.128 4.176 -7.365 1.00 32.41 C ATOM 1140 C ILE B 68 -7.787 5.509 -8.015 1.00 45.13 C ATOM 1141 O ILE B 68 -7.814 5.632 -9.237 1.00 32.11 O ATOM 1142 CB ILE B 68 -6.920 3.191 -7.535 1.00 73.54 C ATOM 1143 CG1 ILE B 68 -7.222 1.816 -6.902 1.00 72.41 C ATOM 1144 CG2 ILE B 68 -5.623 3.777 -6.960 1.00 51.03 C ATOM 1145 CD1 ILE B 68 -7.489 1.852 -5.405 1.00 54.01 C ATOM 0 H ILE B 68 -9.221 3.463 -8.982 1.00 22.43 H new ATOM 0 HA ILE B 68 -8.311 4.296 -6.297 1.00 32.41 H new ATOM 0 HB ILE B 68 -6.775 3.048 -8.606 1.00 73.54 H new ATOM 0 HG12 ILE B 68 -8.089 1.383 -7.402 1.00 72.41 H new ATOM 0 HG13 ILE B 68 -6.380 1.151 -7.091 1.00 72.41 H new ATOM 0 HG21 ILE B 68 -4.810 3.064 -7.097 1.00 51.03 H new ATOM 0 HG22 ILE B 68 -5.383 4.706 -7.477 1.00 51.03 H new ATOM 0 HG23 ILE B 68 -5.754 3.977 -5.897 1.00 51.03 H new ATOM 0 HD11 ILE B 68 -7.691 0.843 -5.047 1.00 54.01 H new ATOM 0 HD12 ILE B 68 -6.616 2.252 -4.889 1.00 54.01 H new ATOM 0 HD13 ILE B 68 -8.351 2.488 -5.204 1.00 54.01 H new ATOM 1157 N ILE B 69 -7.503 6.490 -7.210 1.00 31.31 N ATOM 1158 CA ILE B 69 -7.115 7.801 -7.672 1.00 25.12 C ATOM 1159 C ILE B 69 -5.706 8.011 -7.161 1.00 13.31 C ATOM 1160 O ILE B 69 -5.445 7.795 -5.980 1.00 33.20 O ATOM 1161 CB ILE B 69 -8.042 8.964 -7.126 1.00 23.21 C ATOM 1162 CG1 ILE B 69 -9.524 8.819 -7.556 1.00 63.44 C ATOM 1163 CG2 ILE B 69 -7.519 10.335 -7.549 1.00 51.22 C ATOM 1164 CD1 ILE B 69 -10.316 7.749 -6.825 1.00 2.41 C ATOM 0 H ILE B 69 -7.533 6.405 -6.194 1.00 31.31 H new ATOM 0 HA ILE B 69 -7.198 7.840 -8.758 1.00 25.12 H new ATOM 0 HB ILE B 69 -8.007 8.879 -6.040 1.00 23.21 H new ATOM 0 HG12 ILE B 69 -10.022 9.778 -7.410 1.00 63.44 H new ATOM 0 HG13 ILE B 69 -9.555 8.603 -8.624 1.00 63.44 H new ATOM 0 HG21 ILE B 69 -8.177 11.112 -7.159 1.00 51.22 H new ATOM 0 HG22 ILE B 69 -6.513 10.479 -7.154 1.00 51.22 H new ATOM 0 HG23 ILE B 69 -7.493 10.395 -8.637 1.00 51.22 H new ATOM 0 HD11 ILE B 69 -11.339 7.732 -7.202 1.00 2.41 H new ATOM 0 HD12 ILE B 69 -9.852 6.777 -6.990 1.00 2.41 H new ATOM 0 HD13 ILE B 69 -10.326 7.970 -5.758 1.00 2.41 H new ATOM 1176 N ASN B 70 -4.802 8.390 -8.003 1.00 20.22 N ATOM 1177 CA ASN B 70 -3.427 8.535 -7.589 1.00 24.23 C ATOM 1178 C ASN B 70 -3.098 10.001 -7.441 1.00 32.00 C ATOM 1179 O ASN B 70 -3.397 10.802 -8.328 1.00 60.31 O ATOM 1180 CB ASN B 70 -2.513 7.859 -8.616 1.00 41.35 C ATOM 1181 CG ASN B 70 -1.041 7.957 -8.282 1.00 44.33 C ATOM 1182 OD1 ASN B 70 -0.652 8.046 -7.125 1.00 51.44 O ATOM 1183 ND2 ASN B 70 -0.223 7.937 -9.292 1.00 33.01 N ATOM 0 H ASN B 70 -4.981 8.607 -8.983 1.00 20.22 H new ATOM 0 HA ASN B 70 -3.272 8.053 -6.624 1.00 24.23 H new ATOM 0 HB2 ASN B 70 -2.788 6.807 -8.697 1.00 41.35 H new ATOM 0 HB3 ASN B 70 -2.685 8.310 -9.594 1.00 41.35 H new ATOM 0 HD21 ASN B 70 0.783 7.997 -9.135 1.00 33.01 H new ATOM 0 HD22 ASN B 70 -0.587 7.862 -10.242 1.00 33.01 H new ATOM 1190 N ASN B 71 -2.517 10.366 -6.325 1.00 65.43 N ATOM 1191 CA ASN B 71 -2.187 11.755 -6.054 1.00 54.20 C ATOM 1192 C ASN B 71 -0.709 11.869 -5.756 1.00 74.31 C ATOM 1193 O ASN B 71 -0.275 12.808 -5.100 1.00 70.34 O ATOM 1194 CB ASN B 71 -3.000 12.318 -4.860 1.00 72.22 C ATOM 1195 CG ASN B 71 -4.504 12.241 -5.044 1.00 20.33 C ATOM 1196 OD1 ASN B 71 -5.118 13.122 -5.648 1.00 62.01 O ATOM 1197 ND2 ASN B 71 -5.120 11.225 -4.492 1.00 62.53 N ATOM 0 H ASN B 71 -2.259 9.719 -5.580 1.00 65.43 H new ATOM 0 HA ASN B 71 -2.443 12.340 -6.937 1.00 54.20 H new ATOM 0 HB2 ASN B 71 -2.727 11.771 -3.958 1.00 72.22 H new ATOM 0 HB3 ASN B 71 -2.717 13.358 -4.700 1.00 72.22 H new ATOM 0 HD21 ASN B 71 -6.135 11.148 -4.556 1.00 62.53 H new ATOM 0 HD22 ASN B 71 -4.584 10.511 -3.998 1.00 62.53 H new ATOM 1204 N LEU B 72 0.066 10.918 -6.274 1.00 31.42 N ATOM 1205 CA LEU B 72 1.520 10.873 -6.097 1.00 41.12 C ATOM 1206 C LEU B 72 2.118 12.217 -6.525 1.00 32.41 C ATOM 1207 O LEU B 72 2.919 12.817 -5.798 1.00 15.34 O ATOM 1208 CB LEU B 72 2.099 9.702 -6.953 1.00 22.14 C ATOM 1209 CG LEU B 72 3.559 9.222 -6.700 1.00 2.34 C ATOM 1210 CD1 LEU B 72 4.613 10.254 -7.085 1.00 11.20 C ATOM 1211 CD2 LEU B 72 3.731 8.795 -5.255 1.00 33.32 C ATOM 0 H LEU B 72 -0.300 10.148 -6.834 1.00 31.42 H new ATOM 0 HA LEU B 72 1.775 10.699 -5.052 1.00 41.12 H new ATOM 0 HB2 LEU B 72 1.443 8.842 -6.817 1.00 22.14 H new ATOM 0 HB3 LEU B 72 2.028 9.995 -8.000 1.00 22.14 H new ATOM 0 HG LEU B 72 3.720 8.366 -7.355 1.00 2.34 H new ATOM 0 HD11 LEU B 72 5.606 9.853 -6.882 1.00 11.20 H new ATOM 0 HD12 LEU B 72 4.525 10.485 -8.147 1.00 11.20 H new ATOM 0 HD13 LEU B 72 4.463 11.163 -6.502 1.00 11.20 H new ATOM 0 HD21 LEU B 72 4.756 8.462 -5.094 1.00 33.32 H new ATOM 0 HD22 LEU B 72 3.515 9.638 -4.598 1.00 33.32 H new ATOM 0 HD23 LEU B 72 3.045 7.978 -5.033 1.00 33.32 H new ATOM 1223 N LYS B 73 1.678 12.695 -7.679 1.00 14.34 N ATOM 1224 CA LYS B 73 2.141 13.964 -8.223 1.00 42.10 C ATOM 1225 C LYS B 73 1.789 15.138 -7.292 1.00 53.11 C ATOM 1226 O LYS B 73 2.618 16.011 -7.062 1.00 74.22 O ATOM 1227 CB LYS B 73 1.611 14.165 -9.658 1.00 5.41 C ATOM 1228 CG LYS B 73 0.093 14.131 -9.775 1.00 35.52 C ATOM 1229 CD LYS B 73 -0.381 14.072 -11.221 1.00 25.45 C ATOM 1230 CE LYS B 73 -0.003 15.308 -12.019 1.00 12.21 C ATOM 1231 NZ LYS B 73 -0.600 16.532 -11.460 1.00 61.12 N ATOM 0 H LYS B 73 0.992 12.217 -8.264 1.00 14.34 H new ATOM 0 HA LYS B 73 3.229 13.938 -8.282 1.00 42.10 H new ATOM 0 HB2 LYS B 73 1.972 15.122 -10.035 1.00 5.41 H new ATOM 0 HB3 LYS B 73 2.031 13.390 -10.300 1.00 5.41 H new ATOM 0 HG2 LYS B 73 -0.290 13.265 -9.235 1.00 35.52 H new ATOM 0 HG3 LYS B 73 -0.325 15.016 -9.295 1.00 35.52 H new ATOM 0 HD2 LYS B 73 0.045 13.191 -11.702 1.00 25.45 H new ATOM 0 HD3 LYS B 73 -1.464 13.952 -11.238 1.00 25.45 H new ATOM 0 HE2 LYS B 73 1.082 15.410 -12.037 1.00 12.21 H new ATOM 0 HE3 LYS B 73 -0.328 15.186 -13.052 1.00 12.21 H new ATOM 0 HZ1 LYS B 73 -0.445 17.324 -12.115 1.00 61.12 H new ATOM 0 HZ2 LYS B 73 -1.621 16.390 -11.325 1.00 61.12 H new ATOM 0 HZ3 LYS B 73 -0.156 16.748 -10.545 1.00 61.12 H new ATOM 1245 N LEU B 74 0.583 15.111 -6.729 1.00 3.54 N ATOM 1246 CA LEU B 74 0.095 16.126 -5.788 1.00 24.22 C ATOM 1247 C LEU B 74 0.978 16.164 -4.524 1.00 33.32 C ATOM 1248 O LEU B 74 1.359 17.234 -4.054 1.00 35.35 O ATOM 1249 CB LEU B 74 -1.399 15.811 -5.450 1.00 15.15 C ATOM 1250 CG LEU B 74 -2.223 16.807 -4.590 1.00 23.14 C ATOM 1251 CD1 LEU B 74 -1.793 16.831 -3.131 1.00 50.24 C ATOM 1252 CD2 LEU B 74 -2.169 18.197 -5.189 1.00 34.11 C ATOM 0 H LEU B 74 -0.096 14.373 -6.914 1.00 3.54 H new ATOM 0 HA LEU B 74 0.152 17.117 -6.238 1.00 24.22 H new ATOM 0 HB2 LEU B 74 -1.926 15.685 -6.396 1.00 15.15 H new ATOM 0 HB3 LEU B 74 -1.421 14.847 -4.941 1.00 15.15 H new ATOM 0 HG LEU B 74 -3.254 16.452 -4.602 1.00 23.14 H new ATOM 0 HD11 LEU B 74 -2.406 17.546 -2.583 1.00 50.24 H new ATOM 0 HD12 LEU B 74 -1.919 15.838 -2.698 1.00 50.24 H new ATOM 0 HD13 LEU B 74 -0.746 17.126 -3.065 1.00 50.24 H new ATOM 0 HD21 LEU B 74 -2.752 18.882 -4.573 1.00 34.11 H new ATOM 0 HD22 LEU B 74 -1.134 18.536 -5.228 1.00 34.11 H new ATOM 0 HD23 LEU B 74 -2.582 18.175 -6.197 1.00 34.11 H new ATOM 1264 N ILE B 75 1.305 15.001 -3.994 1.00 72.34 N ATOM 1265 CA ILE B 75 2.158 14.899 -2.806 1.00 55.53 C ATOM 1266 C ILE B 75 3.535 15.517 -3.035 1.00 3.21 C ATOM 1267 O ILE B 75 4.108 16.142 -2.121 1.00 40.20 O ATOM 1268 CB ILE B 75 2.236 13.450 -2.195 1.00 33.31 C ATOM 1269 CG1 ILE B 75 0.998 13.152 -1.317 1.00 5.53 C ATOM 1270 CG2 ILE B 75 3.514 13.248 -1.368 1.00 15.31 C ATOM 1271 CD1 ILE B 75 -0.342 13.252 -2.008 1.00 1.24 C ATOM 0 H ILE B 75 0.995 14.103 -4.364 1.00 72.34 H new ATOM 0 HA ILE B 75 1.663 15.496 -2.040 1.00 55.53 H new ATOM 0 HB ILE B 75 2.257 12.754 -3.034 1.00 33.31 H new ATOM 0 HG12 ILE B 75 1.100 12.147 -0.909 1.00 5.53 H new ATOM 0 HG13 ILE B 75 1.002 13.841 -0.472 1.00 5.53 H new ATOM 0 HG21 ILE B 75 3.530 12.236 -0.964 1.00 15.31 H new ATOM 0 HG22 ILE B 75 4.386 13.398 -2.004 1.00 15.31 H new ATOM 0 HG23 ILE B 75 3.534 13.966 -0.548 1.00 15.31 H new ATOM 0 HD11 ILE B 75 -1.136 13.023 -1.297 1.00 1.24 H new ATOM 0 HD12 ILE B 75 -0.479 14.263 -2.392 1.00 1.24 H new ATOM 0 HD13 ILE B 75 -0.379 12.542 -2.834 1.00 1.24 H new ATOM 1283 N ARG B 76 4.059 15.355 -4.242 1.00 23.44 N ATOM 1284 CA ARG B 76 5.348 15.940 -4.592 1.00 2.23 C ATOM 1285 C ARG B 76 5.261 17.452 -4.444 1.00 61.23 C ATOM 1286 O ARG B 76 6.226 18.081 -4.063 1.00 0.10 O ATOM 1287 CB ARG B 76 5.719 15.708 -6.036 1.00 24.15 C ATOM 1288 CG ARG B 76 5.579 14.314 -6.586 1.00 71.12 C ATOM 1289 CD ARG B 76 5.868 14.371 -8.073 1.00 32.20 C ATOM 1290 NE ARG B 76 5.221 15.574 -8.662 1.00 64.13 N ATOM 1291 CZ ARG B 76 5.451 16.066 -9.871 1.00 4.20 C ATOM 1292 NH1 ARG B 76 6.052 15.348 -10.784 1.00 64.25 N ATOM 1293 NH2 ARG B 76 5.052 17.286 -10.163 1.00 51.23 N ATOM 0 H ARG B 76 3.615 14.826 -4.993 1.00 23.44 H new ATOM 0 HA ARG B 76 6.084 15.476 -3.936 1.00 2.23 H new ATOM 0 HB2 ARG B 76 5.108 16.372 -6.648 1.00 24.15 H new ATOM 0 HB3 ARG B 76 6.756 16.017 -6.168 1.00 24.15 H new ATOM 0 HG2 ARG B 76 6.272 13.636 -6.088 1.00 71.12 H new ATOM 0 HG3 ARG B 76 4.574 13.932 -6.407 1.00 71.12 H new ATOM 0 HD2 ARG B 76 6.944 14.404 -8.243 1.00 32.20 H new ATOM 0 HD3 ARG B 76 5.496 13.470 -8.561 1.00 32.20 H new ATOM 0 HE ARG B 76 4.539 16.064 -8.083 1.00 64.13 H new ATOM 0 HH11 ARG B 76 6.350 14.396 -10.570 1.00 64.25 H new ATOM 0 HH12 ARG B 76 6.222 15.740 -11.710 1.00 64.25 H new ATOM 0 HH21 ARG B 76 4.569 17.846 -9.461 1.00 51.23 H new ATOM 0 HH22 ARG B 76 5.226 17.671 -11.091 1.00 51.23 H new ATOM 1307 N GLU B 77 4.093 18.015 -4.803 1.00 3.43 N ATOM 1308 CA GLU B 77 3.824 19.454 -4.756 1.00 32.25 C ATOM 1309 C GLU B 77 3.732 19.963 -3.314 1.00 23.22 C ATOM 1310 O GLU B 77 3.980 21.142 -3.045 1.00 24.24 O ATOM 1311 CB GLU B 77 2.552 19.797 -5.527 1.00 73.21 C ATOM 1312 CG GLU B 77 2.475 19.181 -6.916 1.00 31.54 C ATOM 1313 CD GLU B 77 3.668 19.485 -7.789 1.00 75.21 C ATOM 1314 OE1 GLU B 77 3.707 20.561 -8.406 1.00 73.43 O ATOM 1315 OE2 GLU B 77 4.571 18.641 -7.899 1.00 52.20 O ATOM 0 H GLU B 77 3.300 17.469 -5.139 1.00 3.43 H new ATOM 0 HA GLU B 77 4.664 19.958 -5.234 1.00 32.25 H new ATOM 0 HB2 GLU B 77 1.690 19.466 -4.948 1.00 73.21 H new ATOM 0 HB3 GLU B 77 2.478 20.881 -5.619 1.00 73.21 H new ATOM 0 HG2 GLU B 77 2.375 18.100 -6.818 1.00 31.54 H new ATOM 0 HG3 GLU B 77 1.573 19.540 -7.412 1.00 31.54 H new ATOM 1322 N LYS B 78 3.232 19.107 -2.421 1.00 12.34 N ATOM 1323 CA LYS B 78 3.242 19.389 -0.971 1.00 0.30 C ATOM 1324 C LYS B 78 4.675 19.627 -0.465 1.00 41.03 C ATOM 1325 O LYS B 78 4.903 20.359 0.499 1.00 70.21 O ATOM 1326 CB LYS B 78 2.589 18.243 -0.202 1.00 31.15 C ATOM 1327 CG LYS B 78 1.099 18.089 -0.470 1.00 63.14 C ATOM 1328 CD LYS B 78 0.506 16.884 0.253 1.00 63.03 C ATOM 1329 CE LYS B 78 0.826 16.899 1.741 1.00 13.30 C ATOM 1330 NZ LYS B 78 0.092 15.859 2.477 1.00 22.43 N ATOM 0 H LYS B 78 2.813 18.211 -2.669 1.00 12.34 H new ATOM 0 HA LYS B 78 2.667 20.299 -0.799 1.00 0.30 H new ATOM 0 HB2 LYS B 78 3.093 17.312 -0.461 1.00 31.15 H new ATOM 0 HB3 LYS B 78 2.741 18.402 0.866 1.00 31.15 H new ATOM 0 HG2 LYS B 78 0.579 18.993 -0.153 1.00 63.14 H new ATOM 0 HG3 LYS B 78 0.933 17.985 -1.542 1.00 63.14 H new ATOM 0 HD2 LYS B 78 -0.575 16.874 0.115 1.00 63.03 H new ATOM 0 HD3 LYS B 78 0.893 15.967 -0.192 1.00 63.03 H new ATOM 0 HE2 LYS B 78 1.897 16.754 1.882 1.00 13.30 H new ATOM 0 HE3 LYS B 78 0.579 17.877 2.154 1.00 13.30 H new ATOM 0 HZ1 LYS B 78 0.730 15.399 3.158 1.00 22.43 H new ATOM 0 HZ2 LYS B 78 -0.705 16.291 2.987 1.00 22.43 H new ATOM 0 HZ3 LYS B 78 -0.269 15.150 1.808 1.00 22.43 H new ATOM 1344 N LYS B 79 5.616 19.002 -1.112 1.00 11.23 N ATOM 1345 CA LYS B 79 7.019 19.256 -0.882 1.00 71.54 C ATOM 1346 C LYS B 79 7.484 19.987 -2.138 1.00 62.41 C ATOM 1347 O LYS B 79 6.654 20.541 -2.842 1.00 22.21 O ATOM 1348 CB LYS B 79 7.771 17.923 -0.714 1.00 24.24 C ATOM 1349 CG LYS B 79 7.315 17.103 0.490 1.00 24.13 C ATOM 1350 CD LYS B 79 7.524 17.872 1.788 1.00 4.22 C ATOM 1351 CE LYS B 79 7.059 17.090 3.007 1.00 44.25 C ATOM 1352 NZ LYS B 79 5.604 16.826 2.996 1.00 54.41 N ATOM 0 H LYS B 79 5.435 18.293 -1.823 1.00 11.23 H new ATOM 0 HA LYS B 79 7.203 19.838 0.021 1.00 71.54 H new ATOM 0 HB2 LYS B 79 7.641 17.327 -1.617 1.00 24.24 H new ATOM 0 HB3 LYS B 79 8.837 18.128 -0.619 1.00 24.24 H new ATOM 0 HG2 LYS B 79 6.261 16.847 0.381 1.00 24.13 H new ATOM 0 HG3 LYS B 79 7.869 16.165 0.526 1.00 24.13 H new ATOM 0 HD2 LYS B 79 8.581 18.115 1.897 1.00 4.22 H new ATOM 0 HD3 LYS B 79 6.983 18.817 1.738 1.00 4.22 H new ATOM 0 HE2 LYS B 79 7.596 16.142 3.052 1.00 44.25 H new ATOM 0 HE3 LYS B 79 7.316 17.645 3.909 1.00 44.25 H new ATOM 0 HZ1 LYS B 79 5.316 16.428 3.913 1.00 54.41 H new ATOM 0 HZ2 LYS B 79 5.091 17.715 2.828 1.00 54.41 H new ATOM 0 HZ3 LYS B 79 5.380 16.149 2.239 1.00 54.41 H new ATOM 1366 N LYS B 80 8.732 20.096 -2.432 1.00 71.43 N ATOM 1367 CA LYS B 80 9.075 20.492 -3.770 1.00 32.42 C ATOM 1368 C LYS B 80 10.104 19.555 -4.299 1.00 13.24 C ATOM 1369 O LYS B 80 11.306 19.815 -4.269 1.00 5.54 O ATOM 1370 CB LYS B 80 9.453 21.981 -3.947 1.00 73.24 C ATOM 1371 CG LYS B 80 10.543 22.517 -3.043 1.00 40.21 C ATOM 1372 CD LYS B 80 10.887 23.939 -3.437 1.00 43.22 C ATOM 1373 CE LYS B 80 11.834 24.595 -2.456 1.00 70.42 C ATOM 1374 NZ LYS B 80 11.243 24.670 -1.106 1.00 23.43 N ATOM 0 H LYS B 80 9.513 19.926 -1.798 1.00 71.43 H new ATOM 0 HA LYS B 80 8.168 20.417 -4.370 1.00 32.42 H new ATOM 0 HB2 LYS B 80 9.763 22.133 -4.981 1.00 73.24 H new ATOM 0 HB3 LYS B 80 8.556 22.581 -3.792 1.00 73.24 H new ATOM 0 HG2 LYS B 80 10.213 22.488 -2.004 1.00 40.21 H new ATOM 0 HG3 LYS B 80 11.429 21.886 -3.114 1.00 40.21 H new ATOM 0 HD2 LYS B 80 11.338 23.939 -4.429 1.00 43.22 H new ATOM 0 HD3 LYS B 80 9.971 24.527 -3.503 1.00 43.22 H new ATOM 0 HE2 LYS B 80 12.766 24.032 -2.416 1.00 70.42 H new ATOM 0 HE3 LYS B 80 12.082 25.598 -2.803 1.00 70.42 H new ATOM 0 HZ1 LYS B 80 11.758 25.374 -0.540 1.00 23.43 H new ATOM 0 HZ2 LYS B 80 10.244 24.949 -1.179 1.00 23.43 H new ATOM 0 HZ3 LYS B 80 11.310 23.740 -0.646 1.00 23.43 H new ATOM 1388 N ILE B 81 9.629 18.407 -4.661 1.00 13.13 N ATOM 1389 CA ILE B 81 10.460 17.353 -5.156 1.00 43.54 C ATOM 1390 C ILE B 81 10.025 17.028 -6.575 1.00 51.30 C ATOM 1391 O ILE B 81 8.820 16.912 -6.851 1.00 65.41 O ATOM 1392 CB ILE B 81 10.329 16.072 -4.259 1.00 70.43 C ATOM 1393 CG1 ILE B 81 10.652 16.377 -2.777 1.00 24.32 C ATOM 1394 CG2 ILE B 81 11.220 14.946 -4.768 1.00 62.43 C ATOM 1395 CD1 ILE B 81 12.068 16.876 -2.521 1.00 1.24 C ATOM 0 H ILE B 81 8.638 18.170 -4.621 1.00 13.13 H new ATOM 0 HA ILE B 81 11.501 17.674 -5.138 1.00 43.54 H new ATOM 0 HB ILE B 81 9.290 15.747 -4.321 1.00 70.43 H new ATOM 0 HG12 ILE B 81 9.947 17.124 -2.413 1.00 24.32 H new ATOM 0 HG13 ILE B 81 10.489 15.473 -2.191 1.00 24.32 H new ATOM 0 HG21 ILE B 81 11.106 14.073 -4.125 1.00 62.43 H new ATOM 0 HG22 ILE B 81 10.932 14.686 -5.787 1.00 62.43 H new ATOM 0 HG23 ILE B 81 12.260 15.272 -4.757 1.00 62.43 H new ATOM 0 HD11 ILE B 81 12.201 17.063 -1.455 1.00 1.24 H new ATOM 0 HD12 ILE B 81 12.784 16.123 -2.849 1.00 1.24 H new ATOM 0 HD13 ILE B 81 12.234 17.800 -3.075 1.00 1.24 H new ATOM 1407 N SER B 82 10.967 16.947 -7.458 1.00 2.42 N ATOM 1408 CA SER B 82 10.714 16.572 -8.804 1.00 41.31 C ATOM 1409 C SER B 82 11.130 15.113 -9.009 1.00 13.21 C ATOM 1410 O SER B 82 11.583 14.449 -8.056 1.00 35.13 O ATOM 1411 CB SER B 82 11.432 17.533 -9.759 1.00 43.33 C ATOM 1412 OG SER B 82 10.872 18.852 -9.639 1.00 71.34 O ATOM 0 H SER B 82 11.948 17.143 -7.257 1.00 2.42 H new ATOM 0 HA SER B 82 9.649 16.644 -9.026 1.00 41.31 H new ATOM 0 HB2 SER B 82 12.497 17.559 -9.530 1.00 43.33 H new ATOM 0 HB3 SER B 82 11.335 17.179 -10.785 1.00 43.33 H new ATOM 0 HG SER B 82 11.336 19.461 -10.250 1.00 71.34 H new ATOM 1418 N GLN B 83 11.004 14.628 -10.225 1.00 45.12 N ATOM 1419 CA GLN B 83 11.234 13.228 -10.519 1.00 65.34 C ATOM 1420 C GLN B 83 12.678 12.783 -10.259 1.00 13.44 C ATOM 1421 O GLN B 83 12.895 11.712 -9.718 1.00 12.11 O ATOM 1422 CB GLN B 83 10.780 12.877 -11.943 1.00 30.22 C ATOM 1423 CG GLN B 83 11.475 13.658 -13.045 1.00 4.43 C ATOM 1424 CD GLN B 83 10.927 13.335 -14.415 1.00 53.31 C ATOM 1425 OE1 GLN B 83 10.002 13.983 -14.890 1.00 72.33 O ATOM 1426 NE2 GLN B 83 11.490 12.348 -15.057 1.00 45.23 N ATOM 0 H GLN B 83 10.741 15.189 -11.035 1.00 45.12 H new ATOM 0 HA GLN B 83 10.619 12.663 -9.818 1.00 65.34 H new ATOM 0 HB2 GLN B 83 10.947 11.813 -12.110 1.00 30.22 H new ATOM 0 HB3 GLN B 83 9.706 13.047 -12.019 1.00 30.22 H new ATOM 0 HG2 GLN B 83 11.364 14.726 -12.855 1.00 4.43 H new ATOM 0 HG3 GLN B 83 12.543 13.440 -13.023 1.00 4.43 H new ATOM 0 HE21 GLN B 83 12.258 11.832 -14.627 1.00 45.23 H new ATOM 0 HE22 GLN B 83 11.162 12.092 -15.988 1.00 45.23 H new ATOM 1435 N SER B 84 13.652 13.610 -10.596 1.00 55.44 N ATOM 1436 CA SER B 84 15.046 13.236 -10.455 1.00 52.11 C ATOM 1437 C SER B 84 15.479 13.072 -8.985 1.00 62.21 C ATOM 1438 O SER B 84 16.122 12.070 -8.635 1.00 10.02 O ATOM 1439 CB SER B 84 15.903 14.268 -11.161 1.00 45.03 C ATOM 1440 OG SER B 84 15.421 14.469 -12.479 1.00 21.34 O ATOM 0 H SER B 84 13.501 14.547 -10.970 1.00 55.44 H new ATOM 0 HA SER B 84 15.181 12.257 -10.915 1.00 52.11 H new ATOM 0 HB2 SER B 84 15.885 15.208 -10.610 1.00 45.03 H new ATOM 0 HB3 SER B 84 16.940 13.935 -11.190 1.00 45.03 H new ATOM 0 HG SER B 84 15.976 15.138 -12.932 1.00 21.34 H new ATOM 1446 N GLU B 85 15.132 14.037 -8.133 1.00 50.43 N ATOM 1447 CA GLU B 85 15.504 13.977 -6.714 1.00 3.23 C ATOM 1448 C GLU B 85 14.889 12.763 -6.066 1.00 41.23 C ATOM 1449 O GLU B 85 15.544 12.057 -5.288 1.00 11.14 O ATOM 1450 CB GLU B 85 15.060 15.219 -5.907 1.00 33.34 C ATOM 1451 CG GLU B 85 15.453 16.567 -6.478 1.00 42.23 C ATOM 1452 CD GLU B 85 14.530 17.015 -7.569 1.00 44.10 C ATOM 1453 OE1 GLU B 85 14.753 16.653 -8.749 1.00 64.25 O ATOM 1454 OE2 GLU B 85 13.551 17.714 -7.260 1.00 70.32 O ATOM 0 H GLU B 85 14.598 14.865 -8.395 1.00 50.43 H new ATOM 0 HA GLU B 85 16.593 13.933 -6.697 1.00 3.23 H new ATOM 0 HB2 GLU B 85 13.975 15.193 -5.808 1.00 33.34 H new ATOM 0 HB3 GLU B 85 15.474 15.140 -4.902 1.00 33.34 H new ATOM 0 HG2 GLU B 85 15.456 17.310 -5.680 1.00 42.23 H new ATOM 0 HG3 GLU B 85 16.470 16.512 -6.866 1.00 42.23 H new ATOM 1461 N LEU B 86 13.638 12.507 -6.407 1.00 73.22 N ATOM 1462 CA LEU B 86 12.914 11.405 -5.837 1.00 10.22 C ATOM 1463 C LEU B 86 13.443 10.080 -6.372 1.00 65.33 C ATOM 1464 O LEU B 86 13.570 9.129 -5.624 1.00 30.50 O ATOM 1465 CB LEU B 86 11.399 11.572 -6.049 1.00 32.54 C ATOM 1466 CG LEU B 86 10.490 10.559 -5.338 1.00 41.02 C ATOM 1467 CD1 LEU B 86 10.839 10.475 -3.862 1.00 52.52 C ATOM 1468 CD2 LEU B 86 9.037 10.977 -5.486 1.00 23.21 C ATOM 0 H LEU B 86 13.107 13.057 -7.082 1.00 73.22 H new ATOM 0 HA LEU B 86 13.076 11.398 -4.759 1.00 10.22 H new ATOM 0 HB2 LEU B 86 11.117 12.572 -5.720 1.00 32.54 H new ATOM 0 HB3 LEU B 86 11.197 11.519 -7.119 1.00 32.54 H new ATOM 0 HG LEU B 86 10.640 9.581 -5.795 1.00 41.02 H new ATOM 0 HD11 LEU B 86 10.185 9.752 -3.374 1.00 52.52 H new ATOM 0 HD12 LEU B 86 11.876 10.159 -3.751 1.00 52.52 H new ATOM 0 HD13 LEU B 86 10.707 11.454 -3.401 1.00 52.52 H new ATOM 0 HD21 LEU B 86 8.397 10.254 -4.980 1.00 23.21 H new ATOM 0 HD22 LEU B 86 8.895 11.962 -5.041 1.00 23.21 H new ATOM 0 HD23 LEU B 86 8.775 11.015 -6.543 1.00 23.21 H new ATOM 1480 N ALA B 87 13.812 10.047 -7.649 1.00 4.44 N ATOM 1481 CA ALA B 87 14.404 8.849 -8.248 1.00 14.42 C ATOM 1482 C ALA B 87 15.686 8.483 -7.519 1.00 35.03 C ATOM 1483 O ALA B 87 15.946 7.305 -7.237 1.00 72.55 O ATOM 1484 CB ALA B 87 14.695 9.070 -9.718 1.00 1.41 C ATOM 0 H ALA B 87 13.713 10.834 -8.291 1.00 4.44 H new ATOM 0 HA ALA B 87 13.690 8.031 -8.156 1.00 14.42 H new ATOM 0 HB1 ALA B 87 15.134 8.167 -10.142 1.00 1.41 H new ATOM 0 HB2 ALA B 87 13.768 9.303 -10.242 1.00 1.41 H new ATOM 0 HB3 ALA B 87 15.393 9.900 -9.830 1.00 1.41 H new ATOM 1490 N ALA B 88 16.482 9.495 -7.207 1.00 4.14 N ATOM 1491 CA ALA B 88 17.699 9.319 -6.443 1.00 53.23 C ATOM 1492 C ALA B 88 17.398 8.792 -5.040 1.00 34.22 C ATOM 1493 O ALA B 88 18.035 7.852 -4.576 1.00 30.41 O ATOM 1494 CB ALA B 88 18.466 10.630 -6.373 1.00 24.13 C ATOM 0 H ALA B 88 16.298 10.461 -7.479 1.00 4.14 H new ATOM 0 HA ALA B 88 18.317 8.578 -6.949 1.00 53.23 H new ATOM 0 HB1 ALA B 88 19.380 10.487 -5.796 1.00 24.13 H new ATOM 0 HB2 ALA B 88 18.721 10.957 -7.381 1.00 24.13 H new ATOM 0 HB3 ALA B 88 17.848 11.388 -5.891 1.00 24.13 H new ATOM 1500 N LEU B 89 16.394 9.380 -4.389 1.00 71.12 N ATOM 1501 CA LEU B 89 15.997 8.976 -3.034 1.00 42.20 C ATOM 1502 C LEU B 89 15.549 7.526 -2.989 1.00 63.22 C ATOM 1503 O LEU B 89 15.888 6.796 -2.064 1.00 30.24 O ATOM 1504 CB LEU B 89 14.855 9.863 -2.504 1.00 60.54 C ATOM 1505 CG LEU B 89 15.182 11.329 -2.228 1.00 63.34 C ATOM 1506 CD1 LEU B 89 13.926 12.087 -1.831 1.00 60.14 C ATOM 1507 CD2 LEU B 89 16.224 11.440 -1.133 1.00 50.33 C ATOM 0 H LEU B 89 15.837 10.141 -4.778 1.00 71.12 H new ATOM 0 HA LEU B 89 16.878 9.096 -2.403 1.00 42.20 H new ATOM 0 HB2 LEU B 89 14.038 9.829 -3.225 1.00 60.54 H new ATOM 0 HB3 LEU B 89 14.484 9.420 -1.580 1.00 60.54 H new ATOM 0 HG LEU B 89 15.583 11.770 -3.141 1.00 63.34 H new ATOM 0 HD11 LEU B 89 14.176 13.130 -1.638 1.00 60.14 H new ATOM 0 HD12 LEU B 89 13.197 12.033 -2.640 1.00 60.14 H new ATOM 0 HD13 LEU B 89 13.502 11.643 -0.930 1.00 60.14 H new ATOM 0 HD21 LEU B 89 16.447 12.491 -0.948 1.00 50.33 H new ATOM 0 HD22 LEU B 89 15.842 10.983 -0.220 1.00 50.33 H new ATOM 0 HD23 LEU B 89 17.134 10.926 -1.443 1.00 50.33 H new ATOM 1519 N LEU B 90 14.832 7.104 -4.007 1.00 61.11 N ATOM 1520 CA LEU B 90 14.273 5.762 -4.042 1.00 33.50 C ATOM 1521 C LEU B 90 15.263 4.767 -4.639 1.00 13.04 C ATOM 1522 O LEU B 90 15.008 3.560 -4.620 1.00 54.12 O ATOM 1523 CB LEU B 90 13.021 5.742 -4.920 1.00 1.13 C ATOM 1524 CG LEU B 90 11.966 6.815 -4.678 1.00 1.25 C ATOM 1525 CD1 LEU B 90 10.827 6.649 -5.661 1.00 24.05 C ATOM 1526 CD2 LEU B 90 11.458 6.792 -3.252 1.00 43.42 C ATOM 0 H LEU B 90 14.619 7.671 -4.828 1.00 61.11 H new ATOM 0 HA LEU B 90 14.039 5.481 -3.015 1.00 33.50 H new ATOM 0 HB2 LEU B 90 13.340 5.814 -5.960 1.00 1.13 H new ATOM 0 HB3 LEU B 90 12.543 4.770 -4.800 1.00 1.13 H new ATOM 0 HG LEU B 90 12.431 7.788 -4.835 1.00 1.25 H new ATOM 0 HD11 LEU B 90 10.077 7.419 -5.482 1.00 24.05 H new ATOM 0 HD12 LEU B 90 11.208 6.742 -6.678 1.00 24.05 H new ATOM 0 HD13 LEU B 90 10.375 5.666 -5.532 1.00 24.05 H new ATOM 0 HD21 LEU B 90 10.708 7.572 -3.120 1.00 43.42 H new ATOM 0 HD22 LEU B 90 11.012 5.820 -3.040 1.00 43.42 H new ATOM 0 HD23 LEU B 90 12.288 6.968 -2.567 1.00 43.42 H new ATOM 1538 N GLU B 91 16.397 5.270 -5.122 1.00 45.33 N ATOM 1539 CA GLU B 91 17.375 4.461 -5.848 1.00 22.43 C ATOM 1540 C GLU B 91 16.750 3.712 -7.023 1.00 63.31 C ATOM 1541 O GLU B 91 16.889 2.495 -7.157 1.00 72.53 O ATOM 1542 CB GLU B 91 18.180 3.547 -4.918 1.00 34.10 C ATOM 1543 CG GLU B 91 19.227 4.296 -4.114 1.00 74.02 C ATOM 1544 CD GLU B 91 20.326 4.850 -5.002 1.00 63.23 C ATOM 1545 OE1 GLU B 91 20.163 5.933 -5.592 1.00 54.24 O ATOM 1546 OE2 GLU B 91 21.369 4.175 -5.158 1.00 73.13 O ATOM 0 H GLU B 91 16.664 6.249 -5.022 1.00 45.33 H new ATOM 0 HA GLU B 91 18.094 5.155 -6.283 1.00 22.43 H new ATOM 0 HB2 GLU B 91 17.498 3.041 -4.235 1.00 34.10 H new ATOM 0 HB3 GLU B 91 18.669 2.774 -5.511 1.00 34.10 H new ATOM 0 HG2 GLU B 91 18.753 5.113 -3.570 1.00 74.02 H new ATOM 0 HG3 GLU B 91 19.662 3.628 -3.371 1.00 74.02 H new ATOM 1553 N VAL B 92 16.047 4.458 -7.855 1.00 33.53 N ATOM 1554 CA VAL B 92 15.392 3.931 -9.032 1.00 2.41 C ATOM 1555 C VAL B 92 15.625 4.894 -10.178 1.00 32.32 C ATOM 1556 O VAL B 92 16.290 5.917 -10.005 1.00 23.34 O ATOM 1557 CB VAL B 92 13.849 3.734 -8.836 1.00 63.23 C ATOM 1558 CG1 VAL B 92 13.549 2.724 -7.743 1.00 12.32 C ATOM 1559 CG2 VAL B 92 13.144 5.061 -8.558 1.00 4.10 C ATOM 0 H VAL B 92 15.915 5.461 -7.728 1.00 33.53 H new ATOM 0 HA VAL B 92 15.816 2.948 -9.237 1.00 2.41 H new ATOM 0 HB VAL B 92 13.457 3.338 -9.773 1.00 63.23 H new ATOM 0 HG11 VAL B 92 12.470 2.614 -7.636 1.00 12.32 H new ATOM 0 HG12 VAL B 92 13.988 1.762 -8.007 1.00 12.32 H new ATOM 0 HG13 VAL B 92 13.974 3.071 -6.801 1.00 12.32 H new ATOM 0 HG21 VAL B 92 12.076 4.885 -8.428 1.00 4.10 H new ATOM 0 HG22 VAL B 92 13.552 5.507 -7.651 1.00 4.10 H new ATOM 0 HG23 VAL B 92 13.300 5.739 -9.397 1.00 4.10 H new ATOM 1569 N SER B 93 15.098 4.586 -11.320 1.00 35.42 N ATOM 1570 CA SER B 93 15.242 5.436 -12.460 1.00 0.14 C ATOM 1571 C SER B 93 14.212 6.580 -12.429 1.00 54.44 C ATOM 1572 O SER B 93 13.148 6.469 -11.789 1.00 24.14 O ATOM 1573 CB SER B 93 15.079 4.600 -13.724 1.00 23.34 C ATOM 1574 OG SER B 93 15.997 3.506 -13.724 1.00 1.11 O ATOM 0 H SER B 93 14.556 3.739 -11.489 1.00 35.42 H new ATOM 0 HA SER B 93 16.234 5.889 -12.447 1.00 0.14 H new ATOM 0 HB2 SER B 93 14.058 4.225 -13.789 1.00 23.34 H new ATOM 0 HB3 SER B 93 15.247 5.223 -14.603 1.00 23.34 H new ATOM 0 HG SER B 93 15.878 2.979 -14.541 1.00 1.11 H new ATOM 1580 N ARG B 94 14.536 7.673 -13.109 1.00 33.45 N ATOM 1581 CA ARG B 94 13.639 8.823 -13.237 1.00 2.32 C ATOM 1582 C ARG B 94 12.358 8.393 -13.936 1.00 72.10 C ATOM 1583 O ARG B 94 11.276 8.871 -13.622 1.00 61.25 O ATOM 1584 CB ARG B 94 14.319 9.950 -14.024 1.00 73.14 C ATOM 1585 CG ARG B 94 15.553 10.529 -13.344 1.00 54.32 C ATOM 1586 CD ARG B 94 16.284 11.520 -14.240 1.00 53.33 C ATOM 1587 NE ARG B 94 16.749 10.883 -15.481 1.00 21.14 N ATOM 1588 CZ ARG B 94 18.031 10.597 -15.758 1.00 13.43 C ATOM 1589 NH1 ARG B 94 19.012 11.043 -14.980 1.00 20.31 N ATOM 1590 NH2 ARG B 94 18.338 9.886 -16.829 1.00 44.34 N ATOM 0 H ARG B 94 15.428 7.791 -13.589 1.00 33.45 H new ATOM 0 HA ARG B 94 13.398 9.198 -12.242 1.00 2.32 H new ATOM 0 HB2 ARG B 94 14.603 9.572 -15.006 1.00 73.14 H new ATOM 0 HB3 ARG B 94 13.598 10.751 -14.187 1.00 73.14 H new ATOM 0 HG2 ARG B 94 15.259 11.025 -12.419 1.00 54.32 H new ATOM 0 HG3 ARG B 94 16.230 9.720 -13.070 1.00 54.32 H new ATOM 0 HD2 ARG B 94 15.621 12.351 -14.482 1.00 53.33 H new ATOM 0 HD3 ARG B 94 17.136 11.938 -13.703 1.00 53.33 H new ATOM 0 HE ARG B 94 16.048 10.641 -16.181 1.00 21.14 H new ATOM 0 HH11 ARG B 94 18.795 11.610 -14.160 1.00 20.31 H new ATOM 0 HH12 ARG B 94 19.982 10.818 -15.202 1.00 20.31 H new ATOM 0 HH21 ARG B 94 17.600 9.552 -17.449 1.00 44.34 H new ATOM 0 HH22 ARG B 94 19.313 9.671 -17.036 1.00 44.34 H new ATOM 1604 N GLN B 95 12.505 7.461 -14.862 1.00 63.51 N ATOM 1605 CA GLN B 95 11.387 6.872 -15.585 1.00 73.10 C ATOM 1606 C GLN B 95 10.457 6.123 -14.625 1.00 21.43 C ATOM 1607 O GLN B 95 9.239 6.211 -14.736 1.00 63.01 O ATOM 1608 CB GLN B 95 11.918 5.891 -16.620 1.00 14.11 C ATOM 1609 CG GLN B 95 10.842 5.182 -17.425 1.00 34.33 C ATOM 1610 CD GLN B 95 11.396 4.103 -18.328 1.00 13.43 C ATOM 1611 OE1 GLN B 95 12.600 4.277 -18.808 1.00 35.21 O flip ATOM 1612 NE2 GLN B 95 10.727 3.108 -18.600 1.00 24.53 N flip ATOM 0 H GLN B 95 13.413 7.087 -15.137 1.00 63.51 H new ATOM 0 HA GLN B 95 10.828 7.672 -16.071 1.00 73.10 H new ATOM 0 HB2 GLN B 95 12.574 6.426 -17.306 1.00 14.11 H new ATOM 0 HB3 GLN B 95 12.528 5.143 -16.114 1.00 14.11 H new ATOM 0 HG2 GLN B 95 10.117 4.740 -16.742 1.00 34.33 H new ATOM 0 HG3 GLN B 95 10.306 5.914 -18.029 1.00 34.33 H new ATOM 0 HE21 GLN B 95 9.791 3.001 -18.210 1.00 24.53 H new ATOM 0 HE22 GLN B 95 11.108 2.390 -19.216 1.00 24.53 H new ATOM 1621 N THR B 96 11.053 5.417 -13.680 1.00 21.22 N ATOM 1622 CA THR B 96 10.330 4.590 -12.747 1.00 0.23 C ATOM 1623 C THR B 96 9.393 5.443 -11.883 1.00 24.14 C ATOM 1624 O THR B 96 8.195 5.178 -11.806 1.00 5.35 O ATOM 1625 CB THR B 96 11.344 3.874 -11.845 1.00 71.41 C ATOM 1626 OG1 THR B 96 12.413 3.383 -12.665 1.00 40.00 O ATOM 1627 CG2 THR B 96 10.707 2.714 -11.104 1.00 50.43 C ATOM 0 H THR B 96 12.064 5.406 -13.543 1.00 21.22 H new ATOM 0 HA THR B 96 9.728 3.866 -13.297 1.00 0.23 H new ATOM 0 HB THR B 96 11.715 4.582 -11.103 1.00 71.41 H new ATOM 0 HG1 THR B 96 12.891 2.672 -12.188 1.00 40.00 H new ATOM 0 HG21 THR B 96 11.454 2.230 -10.475 1.00 50.43 H new ATOM 0 HG22 THR B 96 9.892 3.083 -10.481 1.00 50.43 H new ATOM 0 HG23 THR B 96 10.316 1.994 -11.823 1.00 50.43 H new ATOM 1635 N ILE B 97 9.943 6.483 -11.277 1.00 3.24 N ATOM 1636 CA ILE B 97 9.163 7.370 -10.435 1.00 15.23 C ATOM 1637 C ILE B 97 8.130 8.152 -11.264 1.00 54.43 C ATOM 1638 O ILE B 97 6.964 8.252 -10.862 1.00 12.25 O ATOM 1639 CB ILE B 97 10.103 8.284 -9.550 1.00 61.33 C ATOM 1640 CG1 ILE B 97 9.344 9.214 -8.557 1.00 13.20 C ATOM 1641 CG2 ILE B 97 11.086 9.074 -10.395 1.00 12.10 C ATOM 1642 CD1 ILE B 97 8.710 10.472 -9.147 1.00 15.23 C ATOM 0 H ILE B 97 10.929 6.732 -11.354 1.00 3.24 H new ATOM 0 HA ILE B 97 8.584 6.773 -9.731 1.00 15.23 H new ATOM 0 HB ILE B 97 10.665 7.585 -8.930 1.00 61.33 H new ATOM 0 HG12 ILE B 97 8.559 8.630 -8.076 1.00 13.20 H new ATOM 0 HG13 ILE B 97 10.040 9.518 -7.775 1.00 13.20 H new ATOM 0 HG21 ILE B 97 11.712 9.688 -9.747 1.00 12.10 H new ATOM 0 HG22 ILE B 97 11.715 8.386 -10.961 1.00 12.10 H new ATOM 0 HG23 ILE B 97 10.539 9.716 -11.085 1.00 12.10 H new ATOM 0 HD11 ILE B 97 8.213 11.034 -8.356 1.00 15.23 H new ATOM 0 HD12 ILE B 97 9.484 11.091 -9.600 1.00 15.23 H new ATOM 0 HD13 ILE B 97 7.980 10.190 -9.906 1.00 15.23 H new ATOM 1654 N ASN B 98 8.542 8.638 -12.441 1.00 30.33 N ATOM 1655 CA ASN B 98 7.648 9.400 -13.334 1.00 60.42 C ATOM 1656 C ASN B 98 6.458 8.535 -13.740 1.00 3.24 C ATOM 1657 O ASN B 98 5.312 9.005 -13.817 1.00 13.11 O ATOM 1658 CB ASN B 98 8.392 9.846 -14.600 1.00 64.50 C ATOM 1659 CG ASN B 98 7.563 10.770 -15.482 1.00 24.43 C ATOM 1660 OD1 ASN B 98 6.763 10.324 -16.314 1.00 33.15 O ATOM 1661 ND2 ASN B 98 7.756 12.052 -15.334 1.00 74.02 N ATOM 0 H ASN B 98 9.489 8.519 -12.801 1.00 30.33 H new ATOM 0 HA ASN B 98 7.302 10.281 -12.794 1.00 60.42 H new ATOM 0 HB2 ASN B 98 9.312 10.355 -14.314 1.00 64.50 H new ATOM 0 HB3 ASN B 98 8.680 8.966 -15.175 1.00 64.50 H new ATOM 0 HD21 ASN B 98 7.241 12.715 -15.913 1.00 74.02 H new ATOM 0 HD22 ASN B 98 8.422 12.391 -14.640 1.00 74.02 H new ATOM 1668 N GLY B 99 6.743 7.274 -13.996 1.00 32.15 N ATOM 1669 CA GLY B 99 5.731 6.325 -14.361 1.00 62.40 C ATOM 1670 C GLY B 99 4.753 6.052 -13.230 1.00 51.22 C ATOM 1671 O GLY B 99 3.559 5.820 -13.475 1.00 73.51 O ATOM 0 H GLY B 99 7.685 6.886 -13.955 1.00 32.15 H new ATOM 0 HA2 GLY B 99 5.184 6.697 -15.228 1.00 62.40 H new ATOM 0 HA3 GLY B 99 6.205 5.390 -14.660 1.00 62.40 H new ATOM 1675 N ILE B 100 5.246 6.048 -11.995 1.00 55.13 N ATOM 1676 CA ILE B 100 4.395 5.848 -10.828 1.00 14.23 C ATOM 1677 C ILE B 100 3.497 7.068 -10.601 1.00 12.31 C ATOM 1678 O ILE B 100 2.335 6.917 -10.224 1.00 62.21 O ATOM 1679 CB ILE B 100 5.212 5.507 -9.530 1.00 13.40 C ATOM 1680 CG1 ILE B 100 6.025 4.211 -9.719 1.00 21.05 C ATOM 1681 CG2 ILE B 100 4.293 5.372 -8.311 1.00 62.42 C ATOM 1682 CD1 ILE B 100 5.187 2.974 -10.016 1.00 51.13 C ATOM 0 H ILE B 100 6.233 6.181 -11.777 1.00 55.13 H new ATOM 0 HA ILE B 100 3.769 4.981 -11.039 1.00 14.23 H new ATOM 0 HB ILE B 100 5.900 6.334 -9.352 1.00 13.40 H new ATOM 0 HG12 ILE B 100 6.734 4.358 -10.534 1.00 21.05 H new ATOM 0 HG13 ILE B 100 6.610 4.030 -8.817 1.00 21.05 H new ATOM 0 HG21 ILE B 100 4.890 5.136 -7.430 1.00 62.42 H new ATOM 0 HG22 ILE B 100 3.763 6.311 -8.149 1.00 62.42 H new ATOM 0 HG23 ILE B 100 3.572 4.573 -8.486 1.00 62.42 H new ATOM 0 HD11 ILE B 100 5.842 2.111 -10.134 1.00 51.13 H new ATOM 0 HD12 ILE B 100 4.496 2.796 -9.192 1.00 51.13 H new ATOM 0 HD13 ILE B 100 4.622 3.129 -10.935 1.00 51.13 H new ATOM 1694 N GLU B 101 4.026 8.274 -10.868 1.00 42.35 N ATOM 1695 CA GLU B 101 3.221 9.516 -10.760 1.00 14.13 C ATOM 1696 C GLU B 101 2.013 9.432 -11.658 1.00 62.12 C ATOM 1697 O GLU B 101 0.935 9.881 -11.302 1.00 33.44 O ATOM 1698 CB GLU B 101 3.983 10.718 -11.283 1.00 72.22 C ATOM 1699 CG GLU B 101 5.344 10.969 -10.726 1.00 22.14 C ATOM 1700 CD GLU B 101 5.980 12.131 -11.437 1.00 2.35 C ATOM 1701 OE1 GLU B 101 5.618 12.399 -12.614 1.00 14.03 O ATOM 1702 OE2 GLU B 101 6.806 12.831 -10.846 1.00 12.42 O ATOM 0 H GLU B 101 4.993 8.421 -11.157 1.00 42.35 H new ATOM 0 HA GLU B 101 2.967 9.620 -9.705 1.00 14.13 H new ATOM 0 HB2 GLU B 101 4.077 10.612 -12.364 1.00 72.22 H new ATOM 0 HB3 GLU B 101 3.377 11.605 -11.101 1.00 72.22 H new ATOM 0 HG2 GLU B 101 5.277 11.177 -9.658 1.00 22.14 H new ATOM 0 HG3 GLU B 101 5.963 10.079 -10.839 1.00 22.14 H new ATOM 1709 N LYS B 102 2.190 8.816 -12.803 1.00 72.42 N ATOM 1710 CA LYS B 102 1.127 8.735 -13.773 1.00 3.42 C ATOM 1711 C LYS B 102 0.364 7.429 -13.597 1.00 64.33 C ATOM 1712 O LYS B 102 -0.519 7.115 -14.400 1.00 74.05 O ATOM 1713 CB LYS B 102 1.687 8.801 -15.210 1.00 71.34 C ATOM 1714 CG LYS B 102 2.701 9.918 -15.490 1.00 73.40 C ATOM 1715 CD LYS B 102 2.214 11.294 -15.052 1.00 3.32 C ATOM 1716 CE LYS B 102 3.178 12.390 -15.500 1.00 11.20 C ATOM 1717 NZ LYS B 102 4.582 12.152 -15.064 1.00 30.21 N ATOM 0 H LYS B 102 3.060 8.364 -13.084 1.00 72.42 H new ATOM 0 HA LYS B 102 0.459 9.581 -13.614 1.00 3.42 H new ATOM 0 HB2 LYS B 102 2.158 7.845 -15.439 1.00 71.34 H new ATOM 0 HB3 LYS B 102 0.850 8.917 -15.899 1.00 71.34 H new ATOM 0 HG2 LYS B 102 3.635 9.690 -14.976 1.00 73.40 H new ATOM 0 HG3 LYS B 102 2.922 9.940 -16.557 1.00 73.40 H new ATOM 0 HD2 LYS B 102 1.225 11.483 -15.470 1.00 3.32 H new ATOM 0 HD3 LYS B 102 2.111 11.318 -13.967 1.00 3.32 H new ATOM 0 HE2 LYS B 102 3.150 12.467 -16.587 1.00 11.20 H new ATOM 0 HE3 LYS B 102 2.839 13.347 -15.104 1.00 11.20 H new ATOM 0 HZ1 LYS B 102 5.166 12.977 -15.309 1.00 30.21 H new ATOM 0 HZ2 LYS B 102 4.606 12.005 -14.035 1.00 30.21 H new ATOM 0 HZ3 LYS B 102 4.956 11.308 -15.543 1.00 30.21 H new ATOM 1731 N ASN B 103 0.730 6.675 -12.530 1.00 21.34 N ATOM 1732 CA ASN B 103 0.200 5.321 -12.196 1.00 41.10 C ATOM 1733 C ASN B 103 0.195 4.403 -13.403 1.00 30.41 C ATOM 1734 O ASN B 103 -0.594 3.474 -13.491 1.00 2.25 O ATOM 1735 CB ASN B 103 -1.193 5.345 -11.471 1.00 42.23 C ATOM 1736 CG ASN B 103 -2.350 5.947 -12.266 1.00 63.02 C ATOM 1737 OD1 ASN B 103 -2.594 7.156 -12.194 1.00 64.43 O ATOM 1738 ND2 ASN B 103 -3.078 5.122 -13.000 1.00 15.22 N ATOM 0 H ASN B 103 1.423 6.999 -11.855 1.00 21.34 H new ATOM 0 HA ASN B 103 0.898 4.907 -11.468 1.00 41.10 H new ATOM 0 HB2 ASN B 103 -1.457 4.323 -11.200 1.00 42.23 H new ATOM 0 HB3 ASN B 103 -1.087 5.904 -10.541 1.00 42.23 H new ATOM 0 HD21 ASN B 103 -3.872 5.478 -13.532 1.00 15.22 H new ATOM 0 HD22 ASN B 103 -2.845 4.130 -13.034 1.00 15.22 H new ATOM 1745 N LYS B 104 1.192 4.571 -14.243 1.00 23.05 N ATOM 1746 CA LYS B 104 1.249 3.896 -15.517 1.00 71.21 C ATOM 1747 C LYS B 104 2.304 2.808 -15.482 1.00 63.12 C ATOM 1748 O LYS B 104 2.212 1.819 -16.190 1.00 54.40 O ATOM 1749 CB LYS B 104 1.561 4.920 -16.608 1.00 54.41 C ATOM 1750 CG LYS B 104 1.643 4.369 -18.027 1.00 51.33 C ATOM 1751 CD LYS B 104 1.906 5.484 -19.026 1.00 14.11 C ATOM 1752 CE LYS B 104 3.184 6.236 -18.690 1.00 53.22 C ATOM 1753 NZ LYS B 104 3.418 7.361 -19.599 1.00 30.43 N ATOM 0 H LYS B 104 1.988 5.182 -14.060 1.00 23.05 H new ATOM 0 HA LYS B 104 0.289 3.427 -15.732 1.00 71.21 H new ATOM 0 HB2 LYS B 104 0.795 5.695 -16.583 1.00 54.41 H new ATOM 0 HB3 LYS B 104 2.510 5.401 -16.369 1.00 54.41 H new ATOM 0 HG2 LYS B 104 2.438 3.626 -18.088 1.00 51.33 H new ATOM 0 HG3 LYS B 104 0.712 3.861 -18.279 1.00 51.33 H new ATOM 0 HD2 LYS B 104 1.981 5.066 -20.030 1.00 14.11 H new ATOM 0 HD3 LYS B 104 1.064 6.177 -19.031 1.00 14.11 H new ATOM 0 HE2 LYS B 104 3.129 6.604 -17.666 1.00 53.22 H new ATOM 0 HE3 LYS B 104 4.030 5.551 -18.737 1.00 53.22 H new ATOM 0 HZ1 LYS B 104 4.299 7.845 -19.333 1.00 30.43 H new ATOM 0 HZ2 LYS B 104 3.497 7.009 -20.574 1.00 30.43 H new ATOM 0 HZ3 LYS B 104 2.624 8.029 -19.536 1.00 30.43 H new ATOM 1767 N TYR B 105 3.272 2.969 -14.599 1.00 74.05 N ATOM 1768 CA TYR B 105 4.386 2.023 -14.473 1.00 12.53 C ATOM 1769 C TYR B 105 3.967 0.842 -13.575 1.00 13.41 C ATOM 1770 O TYR B 105 4.776 -0.036 -13.245 1.00 2.12 O ATOM 1771 CB TYR B 105 5.584 2.770 -13.868 1.00 73.50 C ATOM 1772 CG TYR B 105 6.925 2.112 -14.066 1.00 32.23 C ATOM 1773 CD1 TYR B 105 7.607 2.268 -15.260 1.00 62.14 C ATOM 1774 CD2 TYR B 105 7.514 1.353 -13.067 1.00 33.20 C ATOM 1775 CE1 TYR B 105 8.835 1.681 -15.459 1.00 3.04 C ATOM 1776 CE2 TYR B 105 8.741 0.763 -13.259 1.00 1.32 C ATOM 1777 CZ TYR B 105 9.398 0.929 -14.457 1.00 33.11 C ATOM 1778 OH TYR B 105 10.632 0.331 -14.652 1.00 24.32 O ATOM 0 H TYR B 105 3.316 3.753 -13.948 1.00 74.05 H new ATOM 0 HA TYR B 105 4.661 1.623 -15.449 1.00 12.53 H new ATOM 0 HB2 TYR B 105 5.622 3.770 -14.300 1.00 73.50 H new ATOM 0 HB3 TYR B 105 5.412 2.891 -12.798 1.00 73.50 H new ATOM 0 HD1 TYR B 105 7.168 2.861 -16.049 1.00 62.14 H new ATOM 0 HD2 TYR B 105 7.002 1.223 -12.125 1.00 33.20 H new ATOM 0 HE1 TYR B 105 9.353 1.811 -16.398 1.00 3.04 H new ATOM 0 HE2 TYR B 105 9.187 0.172 -12.473 1.00 1.32 H new ATOM 0 HH TYR B 105 10.887 -0.163 -13.845 1.00 24.32 H new ATOM 1788 N ASN B 106 2.683 0.849 -13.216 1.00 43.42 N ATOM 1789 CA ASN B 106 2.030 -0.133 -12.341 1.00 41.25 C ATOM 1790 C ASN B 106 2.404 0.100 -10.889 1.00 40.41 C ATOM 1791 O ASN B 106 3.580 0.006 -10.518 1.00 21.44 O ATOM 1792 CB ASN B 106 2.270 -1.596 -12.779 1.00 44.44 C ATOM 1793 CG ASN B 106 1.491 -2.604 -11.950 1.00 2.30 C ATOM 1794 OD1 ASN B 106 0.337 -2.887 -12.248 1.00 64.13 O ATOM 1795 ND2 ASN B 106 2.114 -3.192 -10.954 1.00 53.45 N ATOM 0 H ASN B 106 2.039 1.570 -13.540 1.00 43.42 H new ATOM 0 HA ASN B 106 0.956 0.024 -12.440 1.00 41.25 H new ATOM 0 HB2 ASN B 106 1.992 -1.705 -13.827 1.00 44.44 H new ATOM 0 HB3 ASN B 106 3.334 -1.820 -12.706 1.00 44.44 H new ATOM 0 HD21 ASN B 106 1.636 -3.906 -10.404 1.00 53.45 H new ATOM 0 HD22 ASN B 106 3.075 -2.934 -10.730 1.00 53.45 H new ATOM 1802 N PRO B 107 1.396 0.446 -10.051 1.00 2.41 N ATOM 1803 CA PRO B 107 1.593 0.770 -8.634 1.00 33.40 C ATOM 1804 C PRO B 107 2.363 -0.300 -7.868 1.00 61.13 C ATOM 1805 O PRO B 107 1.836 -1.359 -7.514 1.00 2.50 O ATOM 1806 CB PRO B 107 0.173 0.926 -8.083 1.00 23.24 C ATOM 1807 CG PRO B 107 -0.652 1.269 -9.273 1.00 52.51 C ATOM 1808 CD PRO B 107 -0.032 0.536 -10.428 1.00 12.41 C ATOM 0 HA PRO B 107 2.202 1.667 -8.521 1.00 33.40 H new ATOM 0 HB2 PRO B 107 -0.173 0.006 -7.612 1.00 23.24 H new ATOM 0 HB3 PRO B 107 0.124 1.710 -7.327 1.00 23.24 H new ATOM 0 HG2 PRO B 107 -1.689 0.966 -9.130 1.00 52.51 H new ATOM 0 HG3 PRO B 107 -0.655 2.345 -9.449 1.00 52.51 H new ATOM 0 HD2 PRO B 107 -0.475 -0.451 -10.562 1.00 12.41 H new ATOM 0 HD3 PRO B 107 -0.167 1.076 -11.365 1.00 12.41 H new ATOM 1816 N SER B 108 3.618 -0.026 -7.667 1.00 32.11 N ATOM 1817 CA SER B 108 4.493 -0.891 -6.961 1.00 31.54 C ATOM 1818 C SER B 108 4.549 -0.404 -5.524 1.00 35.33 C ATOM 1819 O SER B 108 4.934 0.751 -5.277 1.00 31.14 O ATOM 1820 CB SER B 108 5.855 -0.821 -7.629 1.00 33.24 C ATOM 1821 OG SER B 108 5.732 -1.081 -9.030 1.00 63.24 O ATOM 0 H SER B 108 4.065 0.828 -8.001 1.00 32.11 H new ATOM 0 HA SER B 108 4.157 -1.928 -6.970 1.00 31.54 H new ATOM 0 HB2 SER B 108 6.295 0.164 -7.472 1.00 33.24 H new ATOM 0 HB3 SER B 108 6.529 -1.547 -7.175 1.00 33.24 H new ATOM 0 HG SER B 108 5.034 -0.507 -9.409 1.00 63.24 H new ATOM 1827 N LEU B 109 4.154 -1.255 -4.589 1.00 41.22 N ATOM 1828 CA LEU B 109 4.023 -0.858 -3.200 1.00 3.42 C ATOM 1829 C LEU B 109 5.348 -0.439 -2.596 1.00 71.35 C ATOM 1830 O LEU B 109 5.406 0.591 -1.982 1.00 31.14 O ATOM 1831 CB LEU B 109 3.272 -1.933 -2.358 1.00 34.44 C ATOM 1832 CG LEU B 109 2.961 -1.627 -0.852 1.00 23.40 C ATOM 1833 CD1 LEU B 109 4.169 -1.865 0.050 1.00 22.03 C ATOM 1834 CD2 LEU B 109 2.448 -0.188 -0.679 1.00 44.53 C ATOM 0 H LEU B 109 3.918 -2.230 -4.771 1.00 41.22 H new ATOM 0 HA LEU B 109 3.396 0.034 -3.176 1.00 3.42 H new ATOM 0 HB2 LEU B 109 2.325 -2.140 -2.856 1.00 34.44 H new ATOM 0 HB3 LEU B 109 3.859 -2.851 -2.395 1.00 34.44 H new ATOM 0 HG LEU B 109 2.180 -2.323 -0.546 1.00 23.40 H new ATOM 0 HD11 LEU B 109 3.902 -1.639 1.082 1.00 22.03 H new ATOM 0 HD12 LEU B 109 4.479 -2.907 -0.025 1.00 22.03 H new ATOM 0 HD13 LEU B 109 4.989 -1.219 -0.263 1.00 22.03 H new ATOM 0 HD21 LEU B 109 2.239 -0.000 0.374 1.00 44.53 H new ATOM 0 HD22 LEU B 109 3.206 0.513 -1.029 1.00 44.53 H new ATOM 0 HD23 LEU B 109 1.535 -0.055 -1.259 1.00 44.53 H new ATOM 1846 N GLN B 110 6.411 -1.202 -2.825 1.00 2.30 N ATOM 1847 CA GLN B 110 7.738 -0.879 -2.271 1.00 25.44 C ATOM 1848 C GLN B 110 8.159 0.540 -2.665 1.00 14.52 C ATOM 1849 O GLN B 110 8.571 1.327 -1.819 1.00 12.34 O ATOM 1850 CB GLN B 110 8.778 -1.899 -2.790 1.00 43.20 C ATOM 1851 CG GLN B 110 10.222 -1.667 -2.323 1.00 23.12 C ATOM 1852 CD GLN B 110 10.405 -1.816 -0.823 1.00 1.11 C ATOM 1853 OE1 GLN B 110 10.278 -0.862 -0.071 1.00 21.35 O ATOM 1854 NE2 GLN B 110 10.741 -3.001 -0.390 1.00 45.30 N ATOM 0 H GLN B 110 6.388 -2.051 -3.390 1.00 2.30 H new ATOM 0 HA GLN B 110 7.685 -0.933 -1.184 1.00 25.44 H new ATOM 0 HB2 GLN B 110 8.470 -2.897 -2.478 1.00 43.20 H new ATOM 0 HB3 GLN B 110 8.761 -1.887 -3.880 1.00 43.20 H new ATOM 0 HG2 GLN B 110 10.878 -2.372 -2.833 1.00 23.12 H new ATOM 0 HG3 GLN B 110 10.536 -0.667 -2.622 1.00 23.12 H new ATOM 0 HE21 GLN B 110 10.838 -3.775 -1.047 1.00 45.30 H new ATOM 0 HE22 GLN B 110 10.906 -3.152 0.605 1.00 45.30 H new ATOM 1863 N LEU B 111 7.990 0.866 -3.933 1.00 33.52 N ATOM 1864 CA LEU B 111 8.339 2.184 -4.449 1.00 33.42 C ATOM 1865 C LEU B 111 7.471 3.263 -3.815 1.00 12.12 C ATOM 1866 O LEU B 111 7.979 4.257 -3.304 1.00 53.21 O ATOM 1867 CB LEU B 111 8.187 2.219 -5.968 1.00 75.22 C ATOM 1868 CG LEU B 111 9.023 1.205 -6.747 1.00 12.11 C ATOM 1869 CD1 LEU B 111 8.795 1.364 -8.239 1.00 72.44 C ATOM 1870 CD2 LEU B 111 10.498 1.349 -6.409 1.00 1.23 C ATOM 0 H LEU B 111 7.609 0.231 -4.634 1.00 33.52 H new ATOM 0 HA LEU B 111 9.380 2.382 -4.192 1.00 33.42 H new ATOM 0 HB2 LEU B 111 7.137 2.059 -6.212 1.00 75.22 H new ATOM 0 HB3 LEU B 111 8.446 3.219 -6.317 1.00 75.22 H new ATOM 0 HG LEU B 111 8.706 0.203 -6.456 1.00 12.11 H new ATOM 0 HD11 LEU B 111 9.398 0.634 -8.779 1.00 72.44 H new ATOM 0 HD12 LEU B 111 7.741 1.203 -8.465 1.00 72.44 H new ATOM 0 HD13 LEU B 111 9.082 2.370 -8.546 1.00 72.44 H new ATOM 0 HD21 LEU B 111 11.074 0.617 -6.975 1.00 1.23 H new ATOM 0 HD22 LEU B 111 10.834 2.353 -6.667 1.00 1.23 H new ATOM 0 HD23 LEU B 111 10.645 1.180 -5.342 1.00 1.23 H new ATOM 1882 N ALA B 112 6.173 3.020 -3.805 1.00 72.35 N ATOM 1883 CA ALA B 112 5.197 3.966 -3.269 1.00 41.10 C ATOM 1884 C ALA B 112 5.411 4.180 -1.777 1.00 44.34 C ATOM 1885 O ALA B 112 5.319 5.300 -1.270 1.00 24.52 O ATOM 1886 CB ALA B 112 3.785 3.471 -3.536 1.00 4.33 C ATOM 0 H ALA B 112 5.760 2.161 -4.168 1.00 72.35 H new ATOM 0 HA ALA B 112 5.335 4.923 -3.772 1.00 41.10 H new ATOM 0 HB1 ALA B 112 3.067 4.184 -3.132 1.00 4.33 H new ATOM 0 HB2 ALA B 112 3.632 3.371 -4.611 1.00 4.33 H new ATOM 0 HB3 ALA B 112 3.642 2.502 -3.057 1.00 4.33 H new ATOM 1892 N LEU B 113 5.724 3.100 -1.097 1.00 33.43 N ATOM 1893 CA LEU B 113 5.925 3.076 0.328 1.00 23.45 C ATOM 1894 C LEU B 113 7.149 3.888 0.704 1.00 50.21 C ATOM 1895 O LEU B 113 7.131 4.647 1.668 1.00 21.23 O ATOM 1896 CB LEU B 113 6.108 1.635 0.773 1.00 32.41 C ATOM 1897 CG LEU B 113 6.081 1.381 2.255 1.00 61.44 C ATOM 1898 CD1 LEU B 113 4.715 1.744 2.807 1.00 11.43 C ATOM 1899 CD2 LEU B 113 6.408 -0.073 2.527 1.00 70.53 C ATOM 0 H LEU B 113 5.849 2.188 -1.537 1.00 33.43 H new ATOM 0 HA LEU B 113 5.057 3.512 0.823 1.00 23.45 H new ATOM 0 HB2 LEU B 113 5.326 1.033 0.310 1.00 32.41 H new ATOM 0 HB3 LEU B 113 7.060 1.276 0.383 1.00 32.41 H new ATOM 0 HG LEU B 113 6.829 2.000 2.751 1.00 61.44 H new ATOM 0 HD11 LEU B 113 4.696 1.560 3.881 1.00 11.43 H new ATOM 0 HD12 LEU B 113 4.514 2.798 2.616 1.00 11.43 H new ATOM 0 HD13 LEU B 113 3.953 1.135 2.321 1.00 11.43 H new ATOM 0 HD21 LEU B 113 6.388 -0.256 3.601 1.00 70.53 H new ATOM 0 HD22 LEU B 113 5.671 -0.709 2.037 1.00 70.53 H new ATOM 0 HD23 LEU B 113 7.400 -0.302 2.138 1.00 70.53 H new ATOM 1911 N LYS B 114 8.217 3.738 -0.052 1.00 52.33 N ATOM 1912 CA LYS B 114 9.386 4.526 0.217 1.00 54.10 C ATOM 1913 C LYS B 114 9.178 6.004 -0.098 1.00 25.41 C ATOM 1914 O LYS B 114 9.683 6.854 0.617 1.00 42.33 O ATOM 1915 CB LYS B 114 10.708 3.931 -0.301 1.00 63.32 C ATOM 1916 CG LYS B 114 10.738 3.486 -1.747 1.00 23.52 C ATOM 1917 CD LYS B 114 12.112 2.939 -2.109 1.00 64.34 C ATOM 1918 CE LYS B 114 12.471 1.730 -1.249 1.00 3.10 C ATOM 1919 NZ LYS B 114 13.856 1.279 -1.473 1.00 33.32 N ATOM 0 H LYS B 114 8.294 3.092 -0.838 1.00 52.33 H new ATOM 0 HA LYS B 114 9.522 4.477 1.297 1.00 54.10 H new ATOM 0 HB2 LYS B 114 11.493 4.673 -0.158 1.00 63.32 H new ATOM 0 HB3 LYS B 114 10.962 3.074 0.323 1.00 63.32 H new ATOM 0 HG2 LYS B 114 9.980 2.721 -1.914 1.00 23.52 H new ATOM 0 HG3 LYS B 114 10.492 4.326 -2.397 1.00 23.52 H new ATOM 0 HD2 LYS B 114 12.128 2.657 -3.162 1.00 64.34 H new ATOM 0 HD3 LYS B 114 12.863 3.718 -1.977 1.00 64.34 H new ATOM 0 HE2 LYS B 114 12.339 1.982 -0.197 1.00 3.10 H new ATOM 0 HE3 LYS B 114 11.784 0.913 -1.470 1.00 3.10 H new ATOM 0 HZ1 LYS B 114 14.055 0.457 -0.868 1.00 33.32 H new ATOM 0 HZ2 LYS B 114 13.977 1.013 -2.471 1.00 33.32 H new ATOM 0 HZ3 LYS B 114 14.514 2.049 -1.238 1.00 33.32 H new ATOM 1933 N ILE B 115 8.389 6.308 -1.132 1.00 54.11 N ATOM 1934 CA ILE B 115 8.028 7.710 -1.433 1.00 1.24 C ATOM 1935 C ILE B 115 7.269 8.294 -0.233 1.00 2.41 C ATOM 1936 O ILE B 115 7.543 9.419 0.213 1.00 64.12 O ATOM 1937 CB ILE B 115 7.125 7.825 -2.705 1.00 62.52 C ATOM 1938 CG1 ILE B 115 7.862 7.290 -3.933 1.00 62.35 C ATOM 1939 CG2 ILE B 115 6.686 9.276 -2.934 1.00 5.22 C ATOM 1940 CD1 ILE B 115 7.044 7.274 -5.210 1.00 35.31 C ATOM 0 H ILE B 115 7.990 5.620 -1.770 1.00 54.11 H new ATOM 0 HA ILE B 115 8.949 8.260 -1.624 1.00 1.24 H new ATOM 0 HB ILE B 115 6.232 7.221 -2.544 1.00 62.52 H new ATOM 0 HG12 ILE B 115 8.753 7.896 -4.097 1.00 62.35 H new ATOM 0 HG13 ILE B 115 8.201 6.276 -3.723 1.00 62.35 H new ATOM 0 HG21 ILE B 115 6.059 9.330 -3.824 1.00 5.22 H new ATOM 0 HG22 ILE B 115 6.121 9.626 -2.070 1.00 5.22 H new ATOM 0 HG23 ILE B 115 7.566 9.905 -3.071 1.00 5.22 H new ATOM 0 HD11 ILE B 115 7.650 6.879 -6.025 1.00 35.31 H new ATOM 0 HD12 ILE B 115 6.166 6.643 -5.072 1.00 35.31 H new ATOM 0 HD13 ILE B 115 6.727 8.289 -5.452 1.00 35.31 H new ATOM 1952 N ALA B 116 6.394 7.472 0.328 1.00 44.20 N ATOM 1953 CA ALA B 116 5.596 7.826 1.492 1.00 11.21 C ATOM 1954 C ALA B 116 6.500 8.100 2.666 1.00 70.10 C ATOM 1955 O ALA B 116 6.275 9.012 3.448 1.00 34.45 O ATOM 1956 CB ALA B 116 4.682 6.679 1.847 1.00 53.40 C ATOM 0 H ALA B 116 6.216 6.529 -0.017 1.00 44.20 H new ATOM 0 HA ALA B 116 5.009 8.715 1.260 1.00 11.21 H new ATOM 0 HB1 ALA B 116 4.085 6.946 2.719 1.00 53.40 H new ATOM 0 HB2 ALA B 116 4.021 6.466 1.006 1.00 53.40 H new ATOM 0 HB3 ALA B 116 5.278 5.795 2.072 1.00 53.40 H new ATOM 1962 N TYR B 117 7.524 7.301 2.770 1.00 50.04 N ATOM 1963 CA TYR B 117 8.488 7.394 3.818 1.00 11.22 C ATOM 1964 C TYR B 117 9.375 8.652 3.671 1.00 40.54 C ATOM 1965 O TYR B 117 9.464 9.441 4.601 1.00 51.22 O ATOM 1966 CB TYR B 117 9.317 6.098 3.833 1.00 31.54 C ATOM 1967 CG TYR B 117 10.457 6.065 4.810 1.00 42.44 C ATOM 1968 CD1 TYR B 117 10.282 5.634 6.118 1.00 73.13 C ATOM 1969 CD2 TYR B 117 11.710 6.457 4.411 1.00 52.31 C ATOM 1970 CE1 TYR B 117 11.344 5.602 7.000 1.00 33.41 C ATOM 1971 CE2 TYR B 117 12.780 6.430 5.276 1.00 14.05 C ATOM 1972 CZ TYR B 117 12.592 6.002 6.574 1.00 45.04 C ATOM 1973 OH TYR B 117 13.662 5.972 7.444 1.00 12.24 O ATOM 0 H TYR B 117 7.712 6.548 2.108 1.00 50.04 H new ATOM 0 HA TYR B 117 7.978 7.504 4.775 1.00 11.22 H new ATOM 0 HB2 TYR B 117 8.650 5.264 4.053 1.00 31.54 H new ATOM 0 HB3 TYR B 117 9.716 5.932 2.832 1.00 31.54 H new ATOM 0 HD1 TYR B 117 9.303 5.320 6.450 1.00 73.13 H new ATOM 0 HD2 TYR B 117 11.860 6.794 3.396 1.00 52.31 H new ATOM 0 HE1 TYR B 117 11.198 5.266 8.016 1.00 33.41 H new ATOM 0 HE2 TYR B 117 13.759 6.741 4.942 1.00 14.05 H new ATOM 0 HH TYR B 117 14.468 6.285 6.982 1.00 12.24 H new ATOM 1983 N TYR B 118 9.978 8.862 2.493 1.00 52.41 N ATOM 1984 CA TYR B 118 10.900 10.007 2.278 1.00 3.45 C ATOM 1985 C TYR B 118 10.183 11.352 2.313 1.00 25.43 C ATOM 1986 O TYR B 118 10.714 12.334 2.822 1.00 40.30 O ATOM 1987 CB TYR B 118 11.710 9.883 0.971 1.00 51.32 C ATOM 1988 CG TYR B 118 12.692 8.729 0.938 1.00 74.11 C ATOM 1989 CD1 TYR B 118 13.866 8.765 1.676 1.00 25.42 C ATOM 1990 CD2 TYR B 118 12.450 7.616 0.161 1.00 1.22 C ATOM 1991 CE1 TYR B 118 14.760 7.712 1.636 1.00 72.42 C ATOM 1992 CE2 TYR B 118 13.329 6.565 0.116 1.00 0.00 C ATOM 1993 CZ TYR B 118 14.481 6.613 0.852 1.00 75.33 C ATOM 1994 OH TYR B 118 15.361 5.559 0.797 1.00 10.50 O ATOM 0 H TYR B 118 9.852 8.265 1.676 1.00 52.41 H new ATOM 0 HA TYR B 118 11.597 9.969 3.115 1.00 3.45 H new ATOM 0 HB2 TYR B 118 11.015 9.774 0.138 1.00 51.32 H new ATOM 0 HB3 TYR B 118 12.257 10.812 0.810 1.00 51.32 H new ATOM 0 HD1 TYR B 118 14.084 9.627 2.289 1.00 25.42 H new ATOM 0 HD2 TYR B 118 11.545 7.571 -0.427 1.00 1.22 H new ATOM 0 HE1 TYR B 118 15.671 7.750 2.215 1.00 72.42 H new ATOM 0 HE2 TYR B 118 13.113 5.703 -0.498 1.00 0.00 H new ATOM 0 HH TYR B 118 15.853 5.499 1.642 1.00 10.50 H new ATOM 2004 N LEU B 119 8.988 11.393 1.771 1.00 43.52 N ATOM 2005 CA LEU B 119 8.204 12.635 1.773 1.00 35.04 C ATOM 2006 C LEU B 119 7.346 12.735 3.018 1.00 52.42 C ATOM 2007 O LEU B 119 6.667 13.745 3.240 1.00 34.31 O ATOM 2008 CB LEU B 119 7.359 12.821 0.486 1.00 34.25 C ATOM 2009 CG LEU B 119 8.118 13.238 -0.801 1.00 75.05 C ATOM 2010 CD1 LEU B 119 9.103 12.182 -1.263 1.00 73.24 C ATOM 2011 CD2 LEU B 119 7.151 13.599 -1.916 1.00 30.33 C ATOM 0 H LEU B 119 8.530 10.598 1.325 1.00 43.52 H new ATOM 0 HA LEU B 119 8.922 13.455 1.785 1.00 35.04 H new ATOM 0 HB2 LEU B 119 6.839 11.885 0.284 1.00 34.25 H new ATOM 0 HB3 LEU B 119 6.596 13.573 0.688 1.00 34.25 H new ATOM 0 HG LEU B 119 8.698 14.125 -0.546 1.00 75.05 H new ATOM 0 HD11 LEU B 119 9.607 12.525 -2.167 1.00 73.24 H new ATOM 0 HD12 LEU B 119 9.841 12.006 -0.481 1.00 73.24 H new ATOM 0 HD13 LEU B 119 8.570 11.255 -1.474 1.00 73.24 H new ATOM 0 HD21 LEU B 119 7.712 13.887 -2.805 1.00 30.33 H new ATOM 0 HD22 LEU B 119 6.523 12.738 -2.146 1.00 30.33 H new ATOM 0 HD23 LEU B 119 6.523 14.431 -1.598 1.00 30.33 H new ATOM 2022 N ASN B 120 7.398 11.667 3.815 1.00 23.44 N ATOM 2023 CA ASN B 120 6.687 11.521 5.084 1.00 34.54 C ATOM 2024 C ASN B 120 5.227 11.908 4.949 1.00 23.31 C ATOM 2025 O ASN B 120 4.765 12.940 5.447 1.00 53.04 O ATOM 2026 CB ASN B 120 7.397 12.237 6.247 1.00 0.13 C ATOM 2027 CG ASN B 120 6.738 11.985 7.593 1.00 2.32 C ATOM 2028 OD1 ASN B 120 6.093 10.959 7.804 1.00 41.33 O ATOM 2029 ND2 ASN B 120 6.932 12.881 8.519 1.00 61.11 N ATOM 0 H ASN B 120 7.960 10.847 3.584 1.00 23.44 H new ATOM 0 HA ASN B 120 6.707 10.463 5.344 1.00 34.54 H new ATOM 0 HB2 ASN B 120 8.435 11.907 6.290 1.00 0.13 H new ATOM 0 HB3 ASN B 120 7.411 13.309 6.051 1.00 0.13 H new ATOM 0 HD21 ASN B 120 6.544 12.742 9.452 1.00 61.11 H new ATOM 0 HD22 ASN B 120 7.472 13.721 8.311 1.00 61.11 H new ATOM 2036 N THR B 121 4.530 11.129 4.198 1.00 45.02 N ATOM 2037 CA THR B 121 3.157 11.356 3.914 1.00 24.13 C ATOM 2038 C THR B 121 2.459 9.997 3.945 1.00 75.14 C ATOM 2039 O THR B 121 2.952 9.052 3.336 1.00 45.22 O ATOM 2040 CB THR B 121 3.011 11.991 2.503 1.00 33.24 C ATOM 2041 OG1 THR B 121 3.883 13.138 2.394 1.00 22.11 O ATOM 2042 CG2 THR B 121 1.585 12.441 2.261 1.00 53.13 C ATOM 0 H THR B 121 4.910 10.294 3.752 1.00 45.02 H new ATOM 0 HA THR B 121 2.716 12.035 4.643 1.00 24.13 H new ATOM 0 HB THR B 121 3.280 11.239 1.761 1.00 33.24 H new ATOM 0 HG1 THR B 121 3.576 13.714 1.663 1.00 22.11 H new ATOM 0 HG21 THR B 121 1.506 12.882 1.267 1.00 53.13 H new ATOM 0 HG22 THR B 121 0.916 11.583 2.331 1.00 53.13 H new ATOM 0 HG23 THR B 121 1.305 13.182 3.010 1.00 53.13 H new ATOM 2050 N PRO B 122 1.359 9.863 4.698 1.00 2.53 N ATOM 2051 CA PRO B 122 0.610 8.606 4.782 1.00 62.14 C ATOM 2052 C PRO B 122 0.077 8.177 3.416 1.00 22.43 C ATOM 2053 O PRO B 122 -0.293 9.026 2.587 1.00 73.34 O ATOM 2054 CB PRO B 122 -0.552 8.942 5.722 1.00 52.13 C ATOM 2055 CG PRO B 122 -0.079 10.121 6.492 1.00 3.21 C ATOM 2056 CD PRO B 122 0.759 10.910 5.541 1.00 22.03 C ATOM 0 HA PRO B 122 1.229 7.780 5.132 1.00 62.14 H new ATOM 0 HB2 PRO B 122 -1.460 9.171 5.164 1.00 52.13 H new ATOM 0 HB3 PRO B 122 -0.784 8.105 6.381 1.00 52.13 H new ATOM 0 HG2 PRO B 122 -0.918 10.712 6.859 1.00 3.21 H new ATOM 0 HG3 PRO B 122 0.500 9.814 7.363 1.00 3.21 H new ATOM 0 HD2 PRO B 122 0.160 11.608 4.956 1.00 22.03 H new ATOM 0 HD3 PRO B 122 1.517 11.497 6.059 1.00 22.03 H new ATOM 2064 N LEU B 123 0.011 6.870 3.203 1.00 62.42 N ATOM 2065 CA LEU B 123 -0.442 6.283 1.944 1.00 13.13 C ATOM 2066 C LEU B 123 -1.820 6.777 1.552 1.00 71.12 C ATOM 2067 O LEU B 123 -2.076 7.000 0.382 1.00 53.41 O ATOM 2068 CB LEU B 123 -0.442 4.757 2.022 1.00 34.12 C ATOM 2069 CG LEU B 123 0.919 4.088 2.212 1.00 42.20 C ATOM 2070 CD1 LEU B 123 0.744 2.605 2.467 1.00 13.21 C ATOM 2071 CD2 LEU B 123 1.822 4.335 1.009 1.00 35.04 C ATOM 0 H LEU B 123 0.273 6.178 3.905 1.00 62.42 H new ATOM 0 HA LEU B 123 0.262 6.601 1.175 1.00 13.13 H new ATOM 0 HB2 LEU B 123 -1.089 4.457 2.846 1.00 34.12 H new ATOM 0 HB3 LEU B 123 -0.890 4.368 1.108 1.00 34.12 H new ATOM 0 HG LEU B 123 1.402 4.531 3.083 1.00 42.20 H new ATOM 0 HD11 LEU B 123 1.721 2.141 2.600 1.00 13.21 H new ATOM 0 HD12 LEU B 123 0.147 2.459 3.367 1.00 13.21 H new ATOM 0 HD13 LEU B 123 0.238 2.147 1.617 1.00 13.21 H new ATOM 0 HD21 LEU B 123 2.784 3.848 1.170 1.00 35.04 H new ATOM 0 HD22 LEU B 123 1.354 3.927 0.113 1.00 35.04 H new ATOM 0 HD23 LEU B 123 1.974 5.407 0.882 1.00 35.04 H new ATOM 2082 N GLU B 124 -2.693 6.965 2.542 1.00 41.15 N ATOM 2083 CA GLU B 124 -4.054 7.466 2.318 1.00 25.13 C ATOM 2084 C GLU B 124 -4.064 8.836 1.647 1.00 23.31 C ATOM 2085 O GLU B 124 -4.966 9.147 0.868 1.00 41.22 O ATOM 2086 CB GLU B 124 -4.803 7.566 3.644 1.00 25.40 C ATOM 2087 CG GLU B 124 -4.972 6.249 4.370 1.00 63.30 C ATOM 2088 CD GLU B 124 -5.719 6.405 5.663 1.00 34.03 C ATOM 2089 OE1 GLU B 124 -6.965 6.488 5.631 1.00 53.22 O ATOM 2090 OE2 GLU B 124 -5.077 6.455 6.741 1.00 71.30 O ATOM 0 H GLU B 124 -2.479 6.775 3.521 1.00 41.15 H new ATOM 0 HA GLU B 124 -4.545 6.755 1.654 1.00 25.13 H new ATOM 0 HB2 GLU B 124 -4.272 8.260 4.295 1.00 25.40 H new ATOM 0 HB3 GLU B 124 -5.788 7.993 3.459 1.00 25.40 H new ATOM 0 HG2 GLU B 124 -5.504 5.548 3.727 1.00 63.30 H new ATOM 0 HG3 GLU B 124 -3.991 5.817 4.569 1.00 63.30 H new ATOM 2097 N ASP B 125 -3.108 9.669 1.996 1.00 34.01 N ATOM 2098 CA ASP B 125 -3.000 10.996 1.405 1.00 63.41 C ATOM 2099 C ASP B 125 -2.507 10.898 -0.037 1.00 42.14 C ATOM 2100 O ASP B 125 -3.007 11.590 -0.939 1.00 72.41 O ATOM 2101 CB ASP B 125 -2.087 11.892 2.244 1.00 22.41 C ATOM 2102 CG ASP B 125 -2.187 13.353 1.861 1.00 52.54 C ATOM 2103 OD1 ASP B 125 -3.236 13.988 2.172 1.00 60.45 O ATOM 2104 OD2 ASP B 125 -1.229 13.910 1.314 1.00 14.52 O ATOM 0 H ASP B 125 -2.390 9.455 2.688 1.00 34.01 H new ATOM 0 HA ASP B 125 -3.990 11.452 1.393 1.00 63.41 H new ATOM 0 HB2 ASP B 125 -2.343 11.779 3.298 1.00 22.41 H new ATOM 0 HB3 ASP B 125 -1.055 11.561 2.129 1.00 22.41 H new ATOM 2109 N ILE B 126 -1.557 9.988 -0.242 1.00 25.13 N ATOM 2110 CA ILE B 126 -0.907 9.774 -1.538 1.00 73.13 C ATOM 2111 C ILE B 126 -1.844 9.083 -2.540 1.00 51.12 C ATOM 2112 O ILE B 126 -2.077 9.575 -3.642 1.00 44.15 O ATOM 2113 CB ILE B 126 0.413 8.973 -1.405 1.00 50.03 C ATOM 2114 CG1 ILE B 126 1.341 9.654 -0.393 1.00 75.01 C ATOM 2115 CG2 ILE B 126 1.104 8.876 -2.764 1.00 14.41 C ATOM 2116 CD1 ILE B 126 2.652 8.939 -0.177 1.00 50.54 C ATOM 0 H ILE B 126 -1.212 9.371 0.493 1.00 25.13 H new ATOM 0 HA ILE B 126 -0.663 10.765 -1.922 1.00 73.13 H new ATOM 0 HB ILE B 126 0.182 7.968 -1.052 1.00 50.03 H new ATOM 0 HG12 ILE B 126 1.546 10.670 -0.731 1.00 75.01 H new ATOM 0 HG13 ILE B 126 0.822 9.734 0.562 1.00 75.01 H new ATOM 0 HG21 ILE B 126 2.031 8.312 -2.661 1.00 14.41 H new ATOM 0 HG22 ILE B 126 0.447 8.369 -3.471 1.00 14.41 H new ATOM 0 HG23 ILE B 126 1.328 9.878 -3.131 1.00 14.41 H new ATOM 0 HD11 ILE B 126 3.249 9.486 0.553 1.00 50.54 H new ATOM 0 HD12 ILE B 126 2.460 7.932 0.193 1.00 50.54 H new ATOM 0 HD13 ILE B 126 3.195 8.882 -1.120 1.00 50.54 H new ATOM 2128 N PHE B 127 -2.383 7.959 -2.152 1.00 35.15 N ATOM 2129 CA PHE B 127 -3.270 7.221 -3.014 1.00 22.52 C ATOM 2130 C PHE B 127 -4.659 7.269 -2.449 1.00 61.31 C ATOM 2131 O PHE B 127 -4.858 7.182 -1.236 1.00 64.35 O ATOM 2132 CB PHE B 127 -2.817 5.745 -3.175 1.00 0.12 C ATOM 2133 CG PHE B 127 -1.565 5.536 -3.977 1.00 21.33 C ATOM 2134 CD1 PHE B 127 -0.318 5.622 -3.385 1.00 50.52 C ATOM 2135 CD2 PHE B 127 -1.640 5.237 -5.327 1.00 71.31 C ATOM 2136 CE1 PHE B 127 0.830 5.418 -4.126 1.00 53.10 C ATOM 2137 CE2 PHE B 127 -0.496 5.029 -6.071 1.00 50.13 C ATOM 2138 CZ PHE B 127 0.740 5.122 -5.470 1.00 22.32 C ATOM 0 H PHE B 127 -2.223 7.531 -1.240 1.00 35.15 H new ATOM 0 HA PHE B 127 -3.249 7.682 -4.002 1.00 22.52 H new ATOM 0 HB2 PHE B 127 -2.667 5.319 -2.183 1.00 0.12 H new ATOM 0 HB3 PHE B 127 -3.626 5.184 -3.644 1.00 0.12 H new ATOM 0 HD1 PHE B 127 -0.241 5.851 -2.332 1.00 50.52 H new ATOM 0 HD2 PHE B 127 -2.606 5.166 -5.804 1.00 71.31 H new ATOM 0 HE1 PHE B 127 1.798 5.490 -3.653 1.00 53.10 H new ATOM 0 HE2 PHE B 127 -0.570 4.794 -7.122 1.00 50.13 H new ATOM 0 HZ PHE B 127 1.637 4.963 -6.050 1.00 22.32 H new ATOM 2148 N GLN B 128 -5.609 7.405 -3.314 1.00 72.24 N ATOM 2149 CA GLN B 128 -6.971 7.496 -2.926 1.00 2.15 C ATOM 2150 C GLN B 128 -7.695 6.277 -3.396 1.00 41.21 C ATOM 2151 O GLN B 128 -7.646 5.923 -4.573 1.00 54.12 O ATOM 2152 CB GLN B 128 -7.603 8.758 -3.485 1.00 43.12 C ATOM 2153 CG GLN B 128 -9.021 9.005 -3.015 1.00 54.21 C ATOM 2154 CD GLN B 128 -9.566 10.310 -3.526 1.00 62.30 C ATOM 2155 OE1 GLN B 128 -8.817 11.262 -3.754 1.00 51.34 O ATOM 2156 NE2 GLN B 128 -10.846 10.382 -3.700 1.00 41.41 N ATOM 0 H GLN B 128 -5.456 7.456 -4.321 1.00 72.24 H new ATOM 0 HA GLN B 128 -7.038 7.552 -1.839 1.00 2.15 H new ATOM 0 HB2 GLN B 128 -6.986 9.613 -3.207 1.00 43.12 H new ATOM 0 HB3 GLN B 128 -7.598 8.702 -4.574 1.00 43.12 H new ATOM 0 HG2 GLN B 128 -9.661 8.189 -3.350 1.00 54.21 H new ATOM 0 HG3 GLN B 128 -9.047 9.003 -1.925 1.00 54.21 H new ATOM 0 HE21 GLN B 128 -11.434 9.573 -3.501 1.00 41.41 H new ATOM 0 HE22 GLN B 128 -11.267 11.248 -4.037 1.00 41.41 H new ATOM 2165 N TRP B 129 -8.335 5.637 -2.497 1.00 13.44 N ATOM 2166 CA TRP B 129 -9.038 4.438 -2.783 1.00 61.35 C ATOM 2167 C TRP B 129 -10.506 4.556 -2.492 1.00 61.52 C ATOM 2168 O TRP B 129 -10.921 4.895 -1.381 1.00 24.43 O ATOM 2169 CB TRP B 129 -8.403 3.244 -2.073 1.00 14.01 C ATOM 2170 CG TRP B 129 -7.805 3.566 -0.730 1.00 34.23 C ATOM 2171 CD1 TRP B 129 -8.457 3.784 0.450 1.00 3.21 C ATOM 2172 CD2 TRP B 129 -6.407 3.679 -0.442 1.00 53.32 C ATOM 2173 NE1 TRP B 129 -7.546 4.043 1.444 1.00 11.14 N ATOM 2174 CE2 TRP B 129 -6.282 3.975 0.921 1.00 74.31 C ATOM 2175 CE3 TRP B 129 -5.250 3.557 -1.217 1.00 30.24 C ATOM 2176 CZ2 TRP B 129 -5.046 4.150 1.530 1.00 33.44 C ATOM 2177 CZ3 TRP B 129 -4.027 3.729 -0.607 1.00 3.40 C ATOM 2178 CH2 TRP B 129 -3.934 4.021 0.751 1.00 31.53 C ATOM 0 H TRP B 129 -8.390 5.932 -1.522 1.00 13.44 H new ATOM 0 HA TRP B 129 -8.955 4.261 -3.855 1.00 61.35 H new ATOM 0 HB2 TRP B 129 -9.159 2.469 -1.944 1.00 14.01 H new ATOM 0 HB3 TRP B 129 -7.625 2.828 -2.713 1.00 14.01 H new ATOM 0 HD1 TRP B 129 -9.529 3.757 0.582 1.00 3.21 H new ATOM 0 HE1 TRP B 129 -7.774 4.252 2.416 1.00 11.14 H new ATOM 0 HE3 TRP B 129 -5.314 3.333 -2.272 1.00 30.24 H new ATOM 0 HZ2 TRP B 129 -4.968 4.380 2.582 1.00 33.44 H new ATOM 0 HZ3 TRP B 129 -3.124 3.636 -1.193 1.00 3.40 H new ATOM 0 HH2 TRP B 129 -2.959 4.148 1.198 1.00 31.53 H new ATOM 2189 N GLN B 130 -11.279 4.300 -3.502 1.00 35.50 N ATOM 2190 CA GLN B 130 -12.708 4.314 -3.411 1.00 11.44 C ATOM 2191 C GLN B 130 -13.221 2.939 -3.808 1.00 30.22 C ATOM 2192 O GLN B 130 -13.426 2.677 -4.988 1.00 33.31 O ATOM 2193 CB GLN B 130 -13.314 5.368 -4.355 1.00 44.22 C ATOM 2194 CG GLN B 130 -12.875 6.815 -4.123 1.00 32.13 C ATOM 2195 CD GLN B 130 -13.347 7.412 -2.803 1.00 24.43 C ATOM 2196 OE1 GLN B 130 -13.489 6.727 -1.790 1.00 13.50 O ATOM 2197 NE2 GLN B 130 -13.635 8.680 -2.819 1.00 53.21 N ATOM 0 H GLN B 130 -10.928 4.071 -4.432 1.00 35.50 H new ATOM 0 HA GLN B 130 -12.998 4.564 -2.390 1.00 11.44 H new ATOM 0 HB2 GLN B 130 -13.064 5.094 -5.380 1.00 44.22 H new ATOM 0 HB3 GLN B 130 -14.400 5.321 -4.269 1.00 44.22 H new ATOM 0 HG2 GLN B 130 -11.787 6.862 -4.161 1.00 32.13 H new ATOM 0 HG3 GLN B 130 -13.249 7.431 -4.941 1.00 32.13 H new ATOM 0 HE21 GLN B 130 -13.507 9.221 -3.674 1.00 53.21 H new ATOM 0 HE22 GLN B 130 -13.989 9.133 -1.977 1.00 53.21 H new ATOM 2206 N PRO B 131 -13.327 2.001 -2.853 1.00 63.05 N ATOM 2207 CA PRO B 131 -13.862 0.663 -3.120 1.00 13.14 C ATOM 2208 C PRO B 131 -15.390 0.674 -3.175 1.00 44.11 C ATOM 2209 O PRO B 131 -16.025 -0.313 -3.545 1.00 4.41 O ATOM 2210 CB PRO B 131 -13.371 -0.172 -1.917 1.00 11.15 C ATOM 2211 CG PRO B 131 -12.428 0.724 -1.176 1.00 34.32 C ATOM 2212 CD PRO B 131 -12.879 2.119 -1.469 1.00 62.43 C ATOM 0 HA PRO B 131 -13.533 0.269 -4.081 1.00 13.14 H new ATOM 0 HB2 PRO B 131 -14.204 -0.477 -1.283 1.00 11.15 H new ATOM 0 HB3 PRO B 131 -12.871 -1.083 -2.247 1.00 11.15 H new ATOM 0 HG2 PRO B 131 -12.455 0.521 -0.105 1.00 34.32 H new ATOM 0 HG3 PRO B 131 -11.400 0.568 -1.504 1.00 34.32 H new ATOM 0 HD2 PRO B 131 -13.682 2.437 -0.805 1.00 62.43 H new ATOM 0 HD3 PRO B 131 -12.070 2.842 -1.361 1.00 62.43 H new